#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e6p h SER 2 N 0.00 0.04 -1.26 1.61 0.02 -2.13 -3.41 113.55 108.41 2e6p h SER 2 Ca 0.00 -0.92 -0.38 0.00 -0.84 0.00 0.00 61.79 59.66 2e6p h SER 2 Cb 0.00 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 2e6p h SER 2 CO 0.00 0.95 1.00 -0.94 -1.14 0.00 0.00 176.83 176.70 2e6p s SER 3 N -6.19 5.17 -0.07 3.07 1.04 -1.26 -4.79 113.70 110.68 2e6p s SER 3 Ca -0.18 -0.22 -0.05 0.00 0.48 0.00 0.00 55.95 55.98 2e6p s SER 3 Cb -0.02 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.54 2e6p s SER 3 CO 0.70 -2.61 -0.09 0.61 0.98 0.00 0.00 173.24 172.83 2e6p n GLY 4 N 6.35 -0.70 3.07 7.32 0.00 -1.26 -5.00 105.19 114.98 2e6p n GLY 4 Ca 0.32 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 2e6p n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e6p s SER 5 N -4.55 1.55 -0.29 1.61 1.04 -1.26 -5.12 113.70 106.68 2e6p s SER 5 Ca -0.07 -0.24 -0.16 0.00 0.48 0.00 0.00 55.95 55.95 2e6p s SER 5 Cb 0.01 -0.28 -0.03 0.00 0.10 0.00 0.00 66.02 65.82 2e6p s SER 5 CO 0.11 0.13 0.42 -0.44 0.98 0.00 0.00 173.24 174.45 2e6p s SER 6 N -0.12 6.29 0.00 7.02 0.01 -1.26 -4.93 113.70 120.71 2e6p s SER 6 Ca 0.01 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.52 2e6p s SER 6 Cb -0.07 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.93 2e6p s SER 6 CO 0.00 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.00 2e6p n GLY 7 N 4.67 2.22 0.09 3.44 0.00 -1.26 -5.06 105.19 109.29 2e6p n GLY 7 Ca -0.07 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2e6p n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e6p h PRO 8 N 0.00 0.16 -1.92 1.61 0.13 -1.92 -3.45 132.00 126.60 2e6p h PRO 8 Ca 0.00 -0.08 0.09 0.00 -0.87 0.00 0.00 66.00 65.13 2e6p h PRO 8 Cb 0.00 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 30.93 2e6p h PRO 8 CO 0.00 0.60 -0.10 0.54 -0.23 0.00 0.00 178.00 178.81 2e6p s VAL 9 N -4.27 -0.95 -0.10 1.56 0.11 -1.26 -4.82 120.40 110.67 2e6p s VAL 9 Ca -0.15 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.90 2e6p s VAL 9 Cb 0.03 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.86 2e6p s VAL 9 CO 0.71 0.00 -0.11 -1.38 -3.33 0.00 0.00 175.10 170.99 2e6p s HIS 10 N 2.86 2.84 0.27 1.54 -3.43 -1.26 -4.01 115.29 114.10 2e6p s HIS 10 Ca -0.06 -0.30 -0.29 0.00 -0.80 0.00 0.00 55.06 53.60 2e6p s HIS 10 Cb -0.11 -1.77 -0.09 0.00 -1.43 0.00 0.00 32.58 29.17 2e6p s HIS 10 CO -0.19 0.05 1.17 0.42 -2.00 0.00 0.00 174.74 174.19 2e6p s ILE 11 N -0.21 3.31 -0.21 -5.38 1.01 -1.26 -2.62 121.20 115.84 2e6p s ILE 11 Ca 0.02 1.27 0.12 0.00 0.00 0.00 0.00 60.65 62.06 2e6p s ILE 11 Cb -0.13 -3.81 -0.23 0.00 0.01 0.00 0.00 42.46 38.30 2e6p s ILE 11 CO 0.03 0.28 0.01 0.18 0.00 0.00 0.00 174.94 175.44 2e6p n LEU 12 N 1.38 0.98 -3.64 2.97 4.77 -1.18 -4.98 117.00 117.30 2e6p n LEU 12 Ca 0.00 -0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.82 2e6p n LEU 12 Cb 0.44 0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.48 2e6p n LEU 12 CO 0.56 0.63 0.31 -0.55 -1.33 0.00 0.00 177.39 177.01 2e6p s SER 13 N -5.85 -0.61 0.97 -1.43 0.15 -1.26 -4.31 113.70 101.37 2e6p s SER 13 Ca -0.18 1.04 -0.12 0.00 0.70 0.00 0.00 55.95 57.40 2e6p s SER 13 Cb 0.07 1.04 0.17 0.00 -1.71 0.00 0.00 66.02 65.59 2e6p s SER 13 CO 0.76 -0.31 1.09 -2.16 1.20 0.00 0.00 173.24 173.82 2e6p s PRO 14 N -0.11 0.65 0.17 5.44 0.04 -1.26 -0.98 135.00 138.95 2e6p s PRO 14 Ca -0.03 0.60 0.16 0.00 0.04 0.00 0.00 61.00 61.76 2e6p s PRO 14 Cb -0.03 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 2e6p s PRO 14 CO 0.03 -2.60 1.13 1.96 0.04 0.00 0.00 177.00 177.55 2e6p h GLN 15 N -1.80 0.00 0.00 4.56 4.20 -1.95 -3.49 115.11 116.63 2e6p h GLN 15 Ca -0.53 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.09 2e6p h GLN 15 Cb 1.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 2e6p h GLN 15 CO 0.57 0.40 0.08 -3.47 -0.67 0.00 0.00 178.83 175.74 2e6p n ASP 16 N -3.05 -1.41 -4.68 1.46 2.03 -1.26 -5.13 116.55 104.52 2e6p n ASP 16 Ca -0.04 -2.23 -0.45 0.00 0.52 0.00 0.00 54.79 52.59 2e6p n ASP 16 Cb 0.79 2.42 -0.03 0.00 -0.72 0.00 0.00 41.12 43.57 2e6p n ASP 16 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2e6p n LYS 17 N -0.40 2.18 -3.93 -0.67 3.00 -1.26 -4.84 118.16 112.24 2e6p n LYS 17 Ca -0.04 0.78 -0.23 0.00 -0.00 0.00 0.00 58.31 58.83 2e6p n LYS 17 Cb 0.43 -2.52 -0.05 0.00 0.00 0.00 0.00 35.03 32.88 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 0.54 2.75 -0.05 3.15 -7.23 -1.21 -5.03 120.40 113.32 2e6p s VAL 18 Ca 0.74 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.34 2e6p s VAL 18 Cb -0.65 -3.01 0.03 0.00 0.56 0.00 0.00 36.38 33.31 2e6p s VAL 18 CO 0.42 -0.08 -0.02 -0.94 -0.31 0.00 0.00 175.10 174.18 2e6p s SER 19 N -3.96 1.05 0.11 4.85 1.04 -1.26 -2.48 113.70 113.05 2e6p s SER 19 Ca 0.42 -0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.79 2e6p s SER 19 Cb -0.01 -0.39 -0.04 0.00 0.10 0.00 0.00 66.02 65.68 2e6p s SER 19 CO 0.24 -0.12 -0.08 -0.76 0.98 0.00 0.00 173.24 173.51 2e6p s LEU 20 N 1.33 2.49 -0.00 2.42 1.43 -0.19 -4.97 118.68 121.19 2e6p s LEU 20 Ca -0.05 -0.96 -0.02 0.00 -1.03 0.00 0.00 54.13 52.07 2e6p s LEU 20 Cb -0.13 -0.18 -0.01 0.00 0.03 0.00 0.00 46.19 45.90 2e6p s LEU 20 CO -0.02 -0.39 0.04 -0.89 0.23 0.00 0.00 176.35 175.31 2e6p s THR 21 N -3.28 0.06 0.29 5.49 2.01 -1.26 -2.75 115.64 116.19 2e6p s THR 21 Ca 0.11 -0.47 -0.10 0.00 0.31 0.00 0.00 61.69 61.54 2e6p s THR 21 Cb 0.03 -0.21 0.00 0.00 0.01 0.00 0.00 72.50 72.33 2e6p s THR 21 CO -0.03 -0.26 0.50 -0.36 -0.69 0.00 0.00 174.62 173.79 2e6p s PHE 22 N -0.80 0.56 0.01 4.92 0.40 -0.46 -4.93 117.98 117.68 2e6p s PHE 22 Ca -0.09 -0.91 0.04 0.00 -0.60 0.00 0.00 56.93 55.37 2e6p s PHE 22 Cb -0.05 0.16 -0.03 0.00 0.51 0.00 0.00 43.02 43.60 2e6p s PHE 22 CO -0.00 -1.09 -0.09 0.99 0.70 0.00 0.00 175.22 175.74 2e6p s THR 23 N -3.56 3.50 0.32 0.64 2.01 -1.26 -0.45 115.64 116.84 2e6p s THR 23 Ca 0.24 -0.86 -0.25 0.00 0.31 0.00 0.00 61.69 61.13 2e6p s THR 23 Cb -0.01 -2.52 -0.14 0.00 0.01 0.00 0.00 72.50 69.83 2e6p s THR 23 CO 0.13 0.37 0.63 0.41 -0.69 0.00 0.00 174.62 175.47 2e6p n THR 24 N 1.52 1.81 -3.23 -0.82 -1.04 -1.09 -2.45 114.28 108.98 2e6p n THR 24 Ca -0.15 -0.50 -0.15 0.00 -2.04 0.00 0.00 64.05 61.21 2e6p n THR 24 Cb 0.52 -0.48 0.07 0.00 -1.82 0.00 0.00 70.33 68.63 2e6p n THR 24 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2e6p n SER 25 N 1.54 -2.51 -4.28 8.00 7.64 0.80 -4.85 113.62 119.94 2e6p n SER 25 Ca 0.13 -0.51 -0.27 0.00 1.01 0.00 0.00 58.87 59.23 2e6p n SER 25 Cb 0.33 -4.37 -0.08 0.00 -1.01 0.00 0.00 64.21 59.08 2e6p n SER 25 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2e6p s GLU 26 N -5.27 1.97 -0.27 1.43 0.41 -1.03 -4.79 118.70 111.16 2e6p s GLU 26 Ca 0.06 -2.21 -0.08 0.00 -0.41 0.00 0.00 54.97 52.34 2e6p s GLU 26 Cb -0.03 -0.84 -0.02 0.00 -1.78 0.00 0.00 34.13 31.47 2e6p s GLU 26 CO 0.61 -0.43 0.08 0.50 -0.49 0.00 0.00 175.26 175.54 2e6p s ARG 27 N -3.76 3.47 -0.07 1.61 3.52 -1.26 -0.40 118.95 122.06 2e6p s ARG 27 Ca 0.21 -0.61 0.03 0.00 -0.13 0.00 0.00 55.73 55.23 2e6p s ARG 27 Cb 0.03 -3.37 -0.02 0.00 -1.56 0.00 0.00 34.95 30.03 2e6p s ARG 27 CO 0.12 -0.28 -0.16 0.08 -0.81 0.00 0.00 175.30 174.25 2e6p s VAL 28 N 1.59 2.85 -0.15 7.11 1.01 -0.92 -4.95 120.40 126.93 2e6p s VAL 28 Ca 0.05 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 2e6p s VAL 28 Cb -0.16 -2.13 0.06 0.00 0.00 0.00 0.00 36.38 34.16 2e6p s VAL 28 CO 0.04 0.57 0.11 -0.69 0.00 0.00 0.00 175.10 175.13 2e6p s VAL 29 N -0.31 -0.14 0.50 2.92 1.01 -1.26 0.17 120.40 123.29 2e6p s VAL 29 Ca 0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 2e6p s VAL 29 Cb -0.13 -0.51 0.11 0.00 0.00 0.00 0.00 36.38 35.85 2e6p s VAL 29 CO 0.03 -0.18 0.68 0.18 0.00 0.00 0.00 175.10 175.81 2e6p n LEU 30 N 5.29 0.00 -3.64 3.92 4.77 0.47 -4.94 117.00 122.87 2e6p n LEU 30 Ca -0.06 -1.01 -0.15 0.00 -0.03 0.00 0.00 56.01 54.76 2e6p n LEU 30 Cb 0.49 -0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 2e6p n LEU 30 CO 0.09 -0.93 0.29 -0.89 -1.33 0.00 0.00 177.39 174.63 2e6p s THR 31 N -2.22 0.01 -0.22 -5.08 2.01 -1.26 -4.02 115.64 104.85 2e6p s THR 31 Ca 0.41 -0.05 -0.20 0.00 0.31 0.00 0.00 61.69 62.16 2e6p s THR 31 Cb -0.02 -0.85 0.06 0.00 0.01 0.00 0.00 72.50 71.70 2e6p s THR 31 CO 0.28 -0.03 0.58 0.00 -0.69 0.00 0.00 174.62 174.76 2e6p s GLU 33 N 0.31 1.81 0.36 0.00 2.12 -0.15 -0.42 118.70 122.72 2e6p s GLU 33 Ca -0.00 -1.22 0.04 0.00 0.36 0.00 0.00 54.97 54.15 2e6p s GLU 33 Cb -0.04 -2.10 -0.05 0.00 0.26 0.00 0.00 34.13 32.20 2e6p s GLU 33 CO 0.01 0.47 0.08 -0.51 -0.54 0.00 0.00 175.26 174.76 2e6p s LEU 34 N -2.29 2.11 0.00 2.70 1.43 0.54 -3.11 118.68 120.06 2e6p s LEU 34 Ca 0.19 -1.48 0.23 0.00 -1.03 0.00 0.00 54.13 52.04 2e6p s LEU 34 Cb -0.10 -0.30 0.07 0.00 0.03 0.00 0.00 46.19 45.89 2e6p s LEU 34 CO 0.11 -0.72 1.11 -0.24 0.23 0.00 0.00 176.35 176.84 2e6p n SER 35 N -0.89 0.79 -4.25 2.29 2.88 -1.08 -4.75 113.62 108.61 2e6p n SER 35 Ca -0.04 -0.68 -0.30 0.00 -1.33 0.00 0.00 58.87 56.53 2e6p n SER 35 Cb 0.66 0.70 -0.16 0.00 -0.75 0.00 0.00 64.21 64.66 2e6p n SER 35 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2e6p s ARG 36 N -3.01 2.10 0.18 -1.46 0.52 -1.26 -4.93 118.95 111.10 2e6p s ARG 36 Ca 0.09 -0.84 -0.24 0.00 -0.52 0.00 0.00 55.73 54.22 2e6p s ARG 36 Cb 0.17 -1.92 -0.08 0.00 0.52 0.00 0.00 34.95 33.64 2e6p s ARG 36 CO 0.80 0.44 0.77 0.08 0.02 0.00 0.00 175.30 177.41 2e6p s VAL 37 N -0.37 4.41 -1.37 3.52 1.01 -1.26 -3.87 120.40 122.47 2e6p s VAL 37 Ca 0.04 1.62 -0.05 0.00 0.00 0.00 0.00 61.98 63.59 2e6p s VAL 37 Cb -0.11 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.23 2e6p s VAL 37 CO 0.01 0.44 0.85 0.47 0.00 0.00 0.00 175.10 176.87 2e6p n ASP 38 N 1.36 -2.70 -4.86 3.32 9.92 -0.90 -4.82 116.55 117.87 2e6p n ASP 38 Ca -0.05 -0.77 -0.37 0.00 -0.53 0.00 0.00 54.79 53.07 2e6p n ASP 38 Cb 0.49 -4.18 -0.06 0.00 -0.64 0.00 0.00 41.12 36.74 2e6p n ASP 38 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2e6p s PHE 39 N -3.51 3.65 0.49 1.24 5.36 -1.26 -5.05 117.98 118.91 2e6p s PHE 39 Ca 0.24 0.74 -0.22 0.00 -0.96 0.00 0.00 56.93 56.73 2e6p s PHE 39 Cb -0.12 -2.10 -0.07 0.00 -0.34 0.00 0.00 43.02 40.39 2e6p s PHE 39 CO 0.80 0.68 1.15 -1.25 -1.46 0.00 0.00 175.22 175.15 2e6p s PRO 40 N -1.14 3.61 0.22 10.12 0.04 -1.26 -5.04 135.00 141.55 2e6p s PRO 40 Ca 0.20 1.71 -0.14 0.00 0.04 0.00 0.00 61.00 62.81 2e6p s PRO 40 Cb -0.14 -2.26 0.05 0.00 0.04 0.00 0.00 34.50 32.20 2e6p s PRO 40 CO 0.10 -0.66 0.71 0.00 0.04 0.00 0.00 177.00 177.18 2e6p n ALA 41 N -0.79 -1.74 -3.46 8.56 0.00 -1.26 -4.47 120.51 117.34 2e6p n ALA 41 Ca 0.09 -0.88 -0.14 0.00 0.00 0.00 0.00 53.44 52.51 2e6p n ALA 41 Cb 0.49 0.60 -0.08 0.00 0.00 0.00 0.00 19.45 20.46 2e6p n ALA 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2e6p s THR 42 N -2.24 0.01 -0.11 0.00 2.01 -0.90 -5.01 115.64 109.40 2e6p s THR 42 Ca 0.15 -0.05 -0.12 0.00 0.31 0.00 0.00 61.69 61.98 2e6p s THR 42 Cb -0.03 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.62 2e6p s THR 42 CO 0.07 -0.03 0.27 0.26 -0.69 0.00 0.00 174.62 174.50 2e6p s TRP 43 N -0.11 3.57 0.04 4.92 0.52 -1.26 -1.49 118.94 125.13 2e6p s TRP 43 Ca -0.03 0.67 0.05 0.00 0.02 0.00 0.00 56.10 56.82 2e6p s TRP 43 Cb -0.03 -2.21 -0.02 0.00 -1.15 0.00 0.00 33.47 30.06 2e6p s TRP 43 CO 0.03 0.49 -0.16 0.71 0.02 0.00 0.00 176.95 178.04 2e6p s TYR 44 N -0.38 1.37 -0.07 -1.98 2.02 0.90 -2.65 117.35 116.56 2e6p s TYR 44 Ca 0.18 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.53 2e6p s TYR 44 Cb -0.14 -0.81 0.02 0.00 -0.40 0.00 0.00 41.96 40.63 2e6p s TYR 44 CO 0.06 0.05 -0.11 0.21 -1.57 0.00 0.00 175.55 174.19 2e6p s LYS 45 N -1.17 1.68 -1.32 -0.62 2.20 -0.47 -0.63 119.74 119.42 2e6p s LYS 45 Ca 0.03 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 2e6p s LYS 45 Cb -0.08 -1.44 0.00 0.00 -1.51 0.00 0.00 37.83 34.79 2e6p s LYS 45 CO 0.01 -0.03 0.00 -3.47 -0.36 0.00 0.00 175.35 171.51 2e6p n ASP 46 N 4.01 -4.14 -0.17 1.43 -0.08 -0.99 -0.12 116.55 116.49 2e6p n ASP 46 Ca -0.21 0.22 -0.02 0.00 -1.51 0.00 0.00 54.79 53.27 2e6p n ASP 46 Cb 0.51 -3.60 -0.00 0.00 2.34 0.00 0.00 41.12 40.37 2e6p n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2e6p n GLY 47 N -0.64 0.34 2.75 0.27 0.00 -1.26 -5.05 105.19 101.60 2e6p n GLY 47 Ca -0.16 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.75 0.05 0.01 1.61 -0.21 0.82 -5.11 119.66 113.08 2e6p s GLN 48 Ca 0.00 0.22 -0.38 0.00 0.02 0.00 0.00 55.36 55.22 2e6p s GLN 48 Cb 0.00 -0.41 -0.17 0.00 1.00 0.00 0.00 33.01 33.43 2e6p s GLN 48 CO 0.00 -0.22 1.39 1.17 -2.12 0.00 0.00 175.29 175.51 2e6p n LYS 49 N 4.54 1.04 -2.52 2.91 4.81 -1.26 -1.36 118.16 126.32 2e6p n LYS 49 Ca -0.20 0.38 -0.36 0.00 -0.87 0.00 0.00 58.31 57.26 2e6p n LYS 49 Cb 0.50 -2.01 -0.04 0.00 0.02 0.00 0.00 35.03 33.50 2e6p n LYS 49 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2e6p s VAL 50 N 0.97 3.68 -0.42 3.15 -7.23 -1.09 -4.84 120.40 114.62 2e6p s VAL 50 Ca 0.88 1.27 -0.14 0.00 -1.81 0.00 0.00 61.98 62.17 2e6p s VAL 50 Cb -1.01 -3.65 0.03 0.00 0.56 0.00 0.00 36.38 32.32 2e6p s VAL 50 CO 0.51 -0.00 0.31 -0.70 -0.31 0.00 0.00 175.10 174.90 2e6p s GLU 51 N -2.54 2.94 0.11 4.82 2.12 -1.26 -5.00 118.70 119.90 2e6p s GLU 51 Ca 0.59 -1.10 -0.31 0.00 0.36 0.00 0.00 54.97 54.50 2e6p s GLU 51 Cb -0.22 -3.97 -0.08 0.00 0.26 0.00 0.00 34.13 30.11 2e6p s GLU 51 CO 0.28 -0.80 1.46 -1.21 -0.54 0.00 0.00 175.26 174.45 2e6p s GLU 52 N 1.65 4.28 0.21 4.30 2.02 -1.26 -4.74 118.70 125.16 2e6p s GLU 52 Ca 0.04 2.16 -0.09 0.00 0.02 0.00 0.00 54.97 57.10 2e6p s GLU 52 Cb -0.20 -3.29 0.03 0.00 0.10 0.00 0.00 34.13 30.77 2e6p s GLU 52 CO 0.09 -0.52 0.46 -1.13 0.02 0.00 0.00 175.26 174.18 2e6p n SER 53 N 4.26 -1.27 0.27 -0.19 3.41 -1.17 -4.95 113.62 113.99 2e6p n SER 53 Ca 0.13 -1.86 0.17 0.00 -0.26 0.00 0.00 58.87 57.05 2e6p n SER 53 Cb 0.41 2.11 0.91 0.00 -0.26 0.00 0.00 64.21 67.38 2e6p n SER 53 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2e6p h GLU 54 N 0.00 0.00 -0.00 4.33 4.11 -2.04 0.36 114.58 121.34 2e6p h GLU 54 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.24 2e6p h GLU 54 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2e6p h GLU 54 CO 0.24 0.00 -0.77 1.28 0.07 0.00 0.00 179.01 179.83 2e6p n LEU 55 N -2.72 1.02 -3.84 3.06 4.77 -1.26 -4.80 117.00 113.23 2e6p n LEU 55 Ca -0.02 -0.40 -0.29 0.00 -0.03 0.00 0.00 56.01 55.27 2e6p n LEU 55 Cb 0.12 -0.07 -0.16 0.00 -2.33 0.00 0.00 43.42 40.99 2e6p n LEU 55 CO 0.15 0.23 -0.39 -0.22 -1.33 0.00 0.00 177.39 175.83 2e6p s LEU 56 N -2.90 1.92 -0.20 2.23 2.96 0.12 -4.23 118.68 118.58 2e6p s LEU 56 Ca 0.11 -1.02 -0.06 0.00 -0.22 0.00 0.00 54.13 52.94 2e6p s LEU 56 Cb 0.17 -0.90 -0.03 0.00 0.50 0.00 0.00 46.19 45.92 2e6p s LEU 56 CO 0.77 -0.27 0.04 -0.69 -1.32 0.00 0.00 176.35 174.87 2e6p s VAL 57 N 1.61 4.35 -0.17 1.68 1.01 -0.83 -3.02 120.40 125.03 2e6p s VAL 57 Ca -0.03 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2e6p s VAL 57 Cb -0.18 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.24 2e6p s VAL 57 CO -0.07 0.42 -0.19 -0.69 0.00 0.00 0.00 175.10 174.57 2e6p s VAL 58 N 0.84 2.23 -0.14 2.92 1.01 -1.26 -0.40 120.40 125.60 2e6p s VAL 58 Ca 0.02 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 2e6p s VAL 58 Cb -0.14 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2e6p s VAL 58 CO 0.02 0.53 0.02 -0.54 0.00 0.00 0.00 175.10 175.14 2e6p s LYS 59 N 1.16 3.50 -0.26 2.72 -0.14 -1.00 -5.03 119.74 120.68 2e6p s LYS 59 Ca 0.01 -0.39 0.01 0.00 -1.36 0.00 0.00 55.97 54.25 2e6p s LYS 59 Cb -0.14 -2.99 0.07 0.00 -1.68 0.00 0.00 37.83 33.09 2e6p s LYS 59 CO -0.09 0.47 -0.01 1.41 -0.76 0.00 0.00 175.35 176.37 2e6p s MET 60 N -0.22 1.41 -0.20 1.68 -2.45 -1.26 -3.18 119.30 115.08 2e6p s MET 60 Ca 0.06 -1.09 -0.01 0.00 -1.25 0.00 0.00 55.69 53.40 2e6p s MET 60 Cb -0.12 -2.55 0.06 0.00 1.25 0.00 0.00 34.83 33.46 2e6p s MET 60 CO 0.02 -0.70 -0.02 -0.51 1.05 0.00 0.00 175.02 174.86 2e6p s ASP 61 N 1.39 3.26 0.74 1.11 1.11 -0.97 -5.05 116.67 118.26 2e6p s ASP 61 Ca -0.01 -0.93 0.00 0.00 0.18 0.00 0.00 52.55 51.79 2e6p s ASP 61 Cb -0.19 -0.88 0.00 0.00 1.07 0.00 0.00 42.92 42.92 2e6p s ASP 61 CO -0.09 -0.26 0.00 0.61 1.18 0.00 0.00 175.17 176.61 2e6p n GLY 62 N 4.87 2.85 2.04 0.21 0.00 -1.26 -0.79 105.19 113.12 2e6p n GLY 62 Ca -0.11 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 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 14.00 2.01 -3.65 1.61 1.85 -1.25 -2.12 116.66 129.12 2e6p n ARG 63 Ca 0.00 -1.92 -0.23 0.00 -1.00 0.00 0.00 57.85 54.70 2e6p n ARG 63 Cb 0.00 -1.78 -0.17 0.00 -1.05 0.00 0.00 32.46 29.45 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 -2.09 0.05 -0.17 2.89 1.02 0.03 -0.34 119.74 121.14 2e6p s LYS 64 Ca 0.40 0.11 0.01 0.00 0.02 0.00 0.00 55.97 56.50 2e6p s LYS 64 Cb 0.30 -1.25 0.01 0.00 -0.52 0.00 0.00 37.83 36.37 2e6p s LYS 64 CO -0.04 -0.51 -0.17 -1.01 -0.92 0.00 0.00 175.35 172.70 2e6p s HIS 65 N 2.13 2.78 0.03 3.18 3.76 0.44 -2.30 115.29 125.31 2e6p s HIS 65 Ca 0.03 -1.31 0.01 0.00 -0.15 0.00 0.00 55.06 53.65 2e6p s HIS 65 Cb -0.14 -1.91 -0.02 0.00 1.11 0.00 0.00 32.58 31.62 2e6p s HIS 65 CO -0.06 -0.63 -0.05 -0.98 -0.85 0.00 0.00 174.74 172.16 2e6p s ARG 66 N 1.06 0.41 -0.09 1.40 1.70 -1.19 -0.88 118.95 121.35 2e6p s ARG 66 Ca -0.01 -0.60 0.01 0.00 -0.47 0.00 0.00 55.73 54.66 2e6p s ARG 66 Cb -0.14 -0.14 -0.02 0.00 -0.57 0.00 0.00 34.95 34.07 2e6p s ARG 66 CO -0.05 0.02 -0.13 -1.17 -1.08 0.00 0.00 175.30 172.89 2e6p s LEU 67 N -1.30 2.78 0.18 -1.89 0.20 -1.26 -2.39 118.68 115.01 2e6p s LEU 67 Ca -0.10 -0.24 0.10 0.00 0.69 0.00 0.00 54.13 54.58 2e6p s LEU 67 Cb -0.09 -1.60 -0.04 0.00 -0.43 0.00 0.00 46.19 44.03 2e6p s LEU 67 CO -0.00 0.26 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.52 2e6p s ILE 68 N -0.22 2.75 -0.07 6.68 1.01 0.46 -0.39 121.20 131.43 2e6p s ILE 68 Ca 0.01 -1.82 -0.03 0.00 0.00 0.00 0.00 60.65 58.81 2e6p s ILE 68 Cb -0.13 -2.34 0.04 0.00 0.01 0.00 0.00 42.46 40.04 2e6p s ILE 68 CO 0.03 -0.09 0.09 -0.76 0.00 0.00 0.00 174.94 174.20 2e6p s LEU 69 N -2.68 0.12 0.16 2.97 1.43 0.13 -1.96 118.68 118.84 2e6p s LEU 69 Ca 0.22 0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 53.27 2e6p s LEU 69 Cb -0.09 -0.07 0.02 0.00 0.03 0.00 0.00 46.19 46.08 2e6p s LEU 69 CO 0.12 -0.26 1.50 1.55 0.23 0.00 0.00 176.35 179.49 2e6p h PRO 70 N 8.42 0.85 -2.76 1.29 0.13 -1.81 -2.44 132.00 135.68 2e6p h PRO 70 Ca -0.13 -0.45 -0.60 0.00 -0.87 0.00 0.00 66.00 63.96 2e6p h PRO 70 Cb 1.12 0.02 -0.39 0.00 0.13 0.00 0.00 31.00 31.88 2e6p h PRO 70 CO 0.17 1.09 -0.80 -2.00 -0.23 0.00 0.00 178.00 176.23 2e6p s GLU 71 N -4.34 1.01 -0.44 0.86 2.12 -1.24 -4.35 118.70 112.32 2e6p s GLU 71 Ca -0.10 -1.83 -0.28 0.00 0.36 0.00 0.00 54.97 53.12 2e6p s GLU 71 Cb 0.11 -1.88 -0.02 0.00 0.26 0.00 0.00 34.13 32.61 2e6p s GLU 71 CO 0.87 -1.22 1.79 0.00 -0.54 0.00 0.00 175.26 176.16 2e6p s ALA 72 N 0.50 2.63 0.63 6.30 0.00 0.46 -4.76 121.76 127.51 2e6p s ALA 72 Ca 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 51.96 52.06 2e6p s ALA 72 Cb -0.19 -4.11 0.10 0.00 0.00 0.00 0.00 23.12 18.91 2e6p s ALA 72 CO -0.03 -3.06 0.66 1.63 0.00 0.00 0.00 175.76 174.96 2e6p n LYS 73 N 8.66 0.11 0.09 0.00 4.76 -1.26 -0.14 118.16 130.37 2e6p n LYS 73 Ca 0.22 -1.77 -0.08 0.00 -2.87 0.00 0.00 58.31 53.81 2e6p n LYS 73 Cb 0.49 -0.45 0.01 0.00 -1.84 0.00 0.00 35.03 33.24 2e6p n LYS 73 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2e6p h VAL 74 N -0.56 1.49 0.00 -0.18 2.07 -1.94 -3.08 116.25 114.05 2e6p h VAL 74 Ca -0.22 -2.56 -0.00 0.00 0.82 0.00 0.00 66.70 64.74 2e6p h VAL 74 Cb 0.80 2.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.98 2e6p h VAL 74 CO 0.23 0.74 -0.01 1.56 0.02 0.00 0.00 177.57 180.12 2e6p h GLN 75 N 0.10 0.00 0.00 1.57 1.08 -1.95 -2.63 115.11 113.28 2e6p h GLN 75 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2e6p h GLN 75 Cb 1.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.87 2e6p h GLN 75 CO 0.12 0.01 0.00 -0.25 -0.95 0.00 0.00 178.83 177.76 2e6p n ASP 76 N -3.10 0.51 -4.66 1.46 9.92 -1.17 -4.79 116.55 114.72 2e6p n ASP 76 Ca 0.02 0.55 -0.42 0.00 -0.53 0.00 0.00 54.79 54.40 2e6p n ASP 76 Cb 0.37 -0.69 -0.03 0.00 -0.64 0.00 0.00 41.12 40.14 2e6p n ASP 76 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2e6p s SER 77 N -3.96 6.74 0.00 -2.24 1.04 -0.99 -4.90 113.70 109.39 2e6p s SER 77 Ca 0.11 2.07 0.00 0.00 0.48 0.00 0.00 55.95 58.62 2e6p s SER 77 Cb 0.14 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.73 2e6p s SER 77 CO 0.56 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.50 2e6p n GLY 78 N 3.99 -1.83 3.74 7.32 0.00 -0.50 -4.94 105.19 112.97 2e6p n GLY 78 Ca 0.16 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.92 4.37 0.04 1.61 2.12 -1.26 -2.13 118.70 121.53 2e6p s GLU 79 Ca 0.00 0.76 0.02 0.00 0.36 0.00 0.00 54.97 56.11 2e6p s GLU 79 Cb 0.00 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 2e6p s GLU 79 CO 0.00 0.22 0.05 -0.06 -0.54 0.00 0.00 175.26 174.92 2e6p s PHE 80 N 0.31 3.15 -0.02 5.30 0.40 0.67 -2.34 117.98 125.45 2e6p s PHE 80 Ca 0.33 0.09 -0.01 0.00 -0.60 0.00 0.00 56.93 56.74 2e6p s PHE 80 Cb -0.18 -1.64 0.03 0.00 0.51 0.00 0.00 43.02 41.74 2e6p s PHE 80 CO 0.17 0.51 0.05 -2.00 0.70 0.00 0.00 175.22 174.64 2e6p s GLU 81 N -2.03 -0.00 -1.00 0.44 2.12 0.20 -1.01 118.70 117.42 2e6p s GLU 81 Ca 0.25 0.18 -0.05 0.00 0.36 0.00 0.00 54.97 55.72 2e6p s GLU 81 Cb -0.12 -0.18 0.26 0.00 0.26 0.00 0.00 34.13 34.35 2e6p s GLU 81 CO 0.17 -0.13 1.02 0.00 -0.54 0.00 0.00 175.26 175.77 2e6p n ARG 83 N 2.25 1.99 -3.97 0.00 0.63 -0.56 -3.99 116.66 113.02 2e6p n ARG 83 Ca 0.24 0.72 -0.11 0.00 -0.92 0.00 0.00 57.85 57.77 2e6p n ARG 83 Cb 0.37 -2.57 -0.02 0.00 0.45 0.00 0.00 32.46 30.69 2e6p n ARG 83 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2e6p s THR 84 N -1.23 0.00 -1.18 5.15 -1.32 -1.03 -2.11 115.64 113.91 2e6p s THR 84 Ca 0.65 -1.35 -0.09 0.00 -1.21 0.00 0.00 61.69 59.70 2e6p s THR 84 Cb -0.45 -2.55 -0.07 0.00 -1.51 0.00 0.00 72.50 67.93 2e6p s THR 84 CO 0.55 0.00 2.40 1.21 -2.21 0.00 0.00 174.62 176.57 2e6p n GLU 85 N -0.50 2.65 0.00 7.08 2.13 -1.26 -3.91 120.64 126.82 2e6p n GLU 85 Ca -0.03 -1.80 0.00 0.00 0.66 0.00 0.00 57.16 56.00 2e6p n GLU 85 Cb 0.61 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.68 2e6p n GLU 85 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2e6p n GLY 86 N 3.77 -1.36 2.81 8.31 0.00 -1.26 -4.28 105.19 113.17 2e6p n GLY 86 Ca 0.57 0.52 -0.17 0.00 0.00 0.00 0.00 46.02 46.94 2e6p n GLY 86 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2e6p n VAL 87 N 0.00 0.00 -4.11 1.61 0.24 -1.25 -5.02 118.33 109.80 2e6p n VAL 87 Ca 0.00 -2.13 -0.08 0.00 -2.04 0.00 0.00 64.34 60.09 2e6p n VAL 87 Cb 0.00 1.06 -0.10 0.00 -1.47 0.00 0.00 33.84 33.33 2e6p n VAL 87 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2e6p s SER 88 N -3.04 0.66 0.50 -1.34 0.01 -1.26 -2.47 113.70 106.76 2e6p s SER 88 Ca 0.35 -1.01 0.06 0.00 1.31 0.00 0.00 55.95 56.66 2e6p s SER 88 Cb 0.02 0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.43 2e6p s SER 88 CO 0.25 -0.57 0.35 0.00 0.41 0.00 0.00 173.24 173.68 2e6p s ALA 89 N -3.84 4.22 -0.14 1.44 0.00 -1.26 -4.93 121.76 117.26 2e6p s ALA 89 Ca 0.09 -1.49 -0.05 0.00 0.00 0.00 0.00 51.96 50.51 2e6p s ALA 89 Cb 0.07 -0.71 0.07 0.00 0.00 0.00 0.00 23.12 22.55 2e6p s ALA 89 CO -0.08 -0.35 0.29 -0.06 0.00 0.00 0.00 175.76 175.55 2e6p s PHE 90 N -2.69 -0.49 -0.10 0.00 0.08 -1.25 -3.90 117.98 109.63 2e6p s PHE 90 Ca 0.37 1.06 0.01 0.00 0.12 0.00 0.00 56.93 58.50 2e6p s PHE 90 Cb -0.01 0.02 0.02 0.00 -0.57 0.00 0.00 43.02 42.48 2e6p s PHE 90 CO 0.22 -0.37 -0.12 -0.06 -0.10 0.00 0.00 175.22 174.79 2e6p s PHE 91 N 2.42 1.65 -0.19 0.36 0.08 -0.18 -3.29 117.98 118.83 2e6p s PHE 91 Ca 0.00 -0.75 -0.16 0.00 0.12 0.00 0.00 56.93 56.15 2e6p s PHE 91 Cb -0.12 -1.25 -0.04 0.00 -0.57 0.00 0.00 43.02 41.04 2e6p s PHE 91 CO -0.09 -0.43 0.39 0.20 -0.10 0.00 0.00 175.22 175.19 2e6p s GLY 92 N 1.13 2.12 -0.05 4.36 0.00 -1.03 -0.24 107.32 113.62 2e6p s GLY 92 Ca -0.05 -0.49 0.04 0.00 0.00 0.00 0.00 44.72 44.21 2e6p s GLY 92 CO -0.02 0.78 -0.15 0.14 0.00 0.00 0.00 173.10 173.84 2e6p s VAL 93 N 1.17 1.28 -0.26 1.40 1.01 -0.91 -1.03 120.40 123.07 2e6p s VAL 93 Ca 0.19 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 2e6p s VAL 93 Cb -0.15 -1.12 0.08 0.00 0.00 0.00 0.00 36.38 35.20 2e6p s VAL 93 CO 0.08 0.38 0.06 -0.89 0.00 0.00 0.00 175.10 174.72 2e6p s THR 94 N 0.22 0.75 -0.72 3.92 2.01 -1.11 -1.40 115.64 119.30 2e6p s THR 94 Ca -0.07 -1.02 -0.20 0.00 0.31 0.00 0.00 61.69 60.72 2e6p s THR 94 Cb -0.12 -1.39 0.10 0.00 0.01 0.00 0.00 72.50 71.10 2e6p s THR 94 CO 0.02 -0.44 0.92 -0.69 -0.69 0.00 0.00 174.62 173.74 2e6p s VAL 95 N 1.72 4.63 -0.21 3.82 1.01 -1.26 -1.35 120.40 128.76 2e6p s VAL 95 Ca 0.04 -0.96 -0.19 0.00 0.00 0.00 0.00 61.98 60.88 2e6p s VAL 95 Cb -0.17 -4.64 -0.03 0.00 0.00 0.00 0.00 36.38 31.53 2e6p s VAL 95 CO -0.17 -1.35 0.53 -1.10 0.00 0.00 0.00 175.10 173.00 2e6p s GLN 96 N 3.13 4.18 0.37 2.72 -0.21 0.40 -4.62 119.66 125.63 2e6p s GLN 96 Ca 0.21 0.42 -0.27 0.00 0.02 0.00 0.00 55.36 55.74 2e6p s GLN 96 Cb -0.16 -3.57 -0.10 0.00 1.00 0.00 0.00 33.01 30.18 2e6p s GLN 96 CO 0.03 -0.18 1.34 0.16 -2.12 0.00 0.00 175.29 174.51 2e6p s ASP 97 N 1.20 6.49 0.89 5.90 -4.77 -1.26 -2.67 116.67 122.45 2e6p s ASP 97 Ca 0.24 2.74 -0.11 0.00 -3.30 0.00 0.00 52.55 52.11 2e6p s ASP 97 Cb -0.15 -2.65 0.12 0.00 -1.09 0.00 0.00 42.92 39.15 2e6p s ASP 97 CO 0.10 -0.73 1.09 -2.16 0.70 0.00 0.00 175.17 174.16 2e6p s PRO 98 N -2.04 1.31 -1.13 2.11 0.04 -1.26 -3.77 135.00 130.26 2e6p s PRO 98 Ca 0.53 0.84 -0.00 0.00 0.04 0.00 0.00 61.00 62.41 2e6p s PRO 98 Cb -0.40 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2e6p s PRO 98 CO 0.53 -2.21 0.01 0.43 0.04 0.00 0.00 177.00 175.80 2e6p n SER 99 N -3.86 0.65 -4.77 6.66 7.64 -1.26 -4.82 113.62 113.87 2e6p n SER 99 Ca 0.07 -0.94 -0.38 0.00 1.01 0.00 0.00 58.87 58.64 2e6p n SER 99 Cb 0.55 -1.16 -0.00 0.00 -1.01 0.00 0.00 64.21 62.59 2e6p n SER 99 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2e6p s GLY 100 N -4.01 2.82 0.00 0.23 0.00 -1.25 -4.97 107.32 100.14 2e6p s GLY 100 Ca 0.00 1.02 -0.24 0.00 0.00 0.00 0.00 44.72 45.51 2e6p s GLY 100 CO 0.73 1.51 1.29 -0.56 0.00 0.00 0.00 173.10 176.07 2e6p h PRO 101 N 2.07 0.14 -7.30 2.90 0.13 -1.93 -3.45 132.00 124.56 2e6p h PRO 101 Ca -0.50 -0.07 -0.44 0.00 -0.87 0.00 0.00 66.00 64.12 2e6p h PRO 101 Cb 1.25 0.00 0.18 0.00 0.13 0.00 0.00 31.00 32.56 2e6p h PRO 101 CO 0.60 0.59 0.13 -1.12 -0.23 0.00 0.00 178.00 177.97 2e6p s SER 102 N -5.87 1.82 -0.27 1.44 0.01 -1.26 -5.07 113.70 104.51 2e6p s SER 102 Ca -0.15 1.17 -0.01 0.00 1.31 0.00 0.00 55.95 58.27 2e6p s SER 102 Cb 0.03 -1.82 0.16 0.00 0.21 0.00 0.00 66.02 64.59 2e6p s SER 102 CO 0.71 -3.63 0.44 -0.44 0.41 0.00 0.00 173.24 170.73 2e6p s SER 103 N -3.26 -0.18 0.00 2.44 0.01 -1.26 -5.15 113.70 106.31 2e6p s SER 103 Ca 0.67 0.21 0.00 0.00 1.31 0.00 0.00 55.95 58.14 2e6p s SER 103 Cb -0.19 1.39 0.00 0.00 0.21 0.00 0.00 66.02 67.42 2e6p s SER 103 CO 0.59 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.55