#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e6p s SER 2 N 0.00 5.86 0.07 1.61 1.04 -1.26 -5.08 113.70 115.95 2e6p s SER 2 Ca 0.00 -0.51 0.06 0.00 0.48 0.00 0.00 55.95 55.99 2e6p s SER 2 Cb 0.00 -2.08 -0.04 0.00 0.10 0.00 0.00 66.02 64.00 2e6p s SER 2 CO 0.00 -0.24 -0.11 -0.44 0.98 0.00 0.00 173.24 173.44 2e6p s SER 3 N 1.67 4.35 1.11 7.02 0.01 -1.26 -5.11 113.70 121.49 2e6p s SER 3 Ca 0.05 -0.34 -0.20 0.00 1.31 0.00 0.00 55.95 56.77 2e6p s SER 3 Cb -0.17 -0.85 0.07 0.00 0.21 0.00 0.00 66.02 65.28 2e6p s SER 3 CO 0.09 0.21 -0.20 0.61 0.41 0.00 0.00 173.24 174.35 2e6p n GLY 4 N 1.01 -2.58 3.64 3.44 0.00 -1.26 -5.04 105.19 104.39 2e6p n GLY 4 Ca -0.14 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 2e6p n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e6p s SER 5 N -1.73 -0.58 0.14 1.61 0.15 -1.26 -5.14 113.70 106.89 2e6p s SER 5 Ca 0.53 1.06 -0.34 0.00 0.70 0.00 0.00 55.95 57.90 2e6p s SER 5 Cb -0.08 1.12 -0.13 0.00 -1.71 0.00 0.00 66.02 65.22 2e6p s SER 5 CO 0.65 -0.18 1.64 -0.24 1.20 0.00 0.00 173.24 176.31 2e6p n SER 6 N 2.79 3.26 0.00 5.45 2.88 -1.26 -4.64 113.62 122.10 2e6p n SER 6 Ca -0.15 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 2e6p n SER 6 Cb 0.56 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 2e6p n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e6p n GLY 7 N 3.61 -1.77 0.07 0.46 0.00 -1.26 -4.90 105.19 101.40 2e6p n GLY 7 Ca 0.18 -1.24 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.04 -1.55 1.61 0.13 -2.01 -3.46 132.00 126.69 2e6p h PRO 8 Ca 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.25 2e6p h PRO 8 Cb 0.00 0.01 -0.21 0.00 0.13 0.00 0.00 31.00 30.93 2e6p h PRO 8 CO 0.00 0.43 -0.02 0.54 -0.23 0.00 0.00 178.00 178.71 2e6p s VAL 9 N -4.23 -0.82 0.31 1.56 0.11 -1.26 -4.87 120.40 111.20 2e6p s VAL 9 Ca -0.16 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 58.97 2e6p s VAL 9 Cb 0.02 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.83 2e6p s VAL 9 CO 0.65 0.00 0.24 -1.38 -3.33 0.00 0.00 175.10 171.29 2e6p s HIS 10 N 2.76 2.94 0.23 1.54 -3.43 -1.26 -4.43 115.29 113.63 2e6p s HIS 10 Ca -0.02 -0.25 -0.15 0.00 -0.80 0.00 0.00 55.06 53.84 2e6p s HIS 10 Cb -0.10 -1.65 -0.08 0.00 -1.43 0.00 0.00 32.58 29.32 2e6p s HIS 10 CO -0.18 0.31 0.64 0.42 -2.00 0.00 0.00 174.74 173.92 2e6p s ILE 11 N -2.27 4.75 -0.04 -5.38 -1.09 -1.26 -1.61 121.20 114.29 2e6p s ILE 11 Ca 0.38 0.91 0.03 0.00 -2.23 0.00 0.00 60.65 59.74 2e6p s ILE 11 Cb -0.06 -3.71 -0.05 0.00 -1.58 0.00 0.00 42.46 37.06 2e6p s ILE 11 CO 0.26 0.06 -0.00 0.18 -1.23 0.00 0.00 174.94 174.20 2e6p n LEU 12 N 0.29 0.79 -3.66 2.97 4.77 -1.08 -4.95 117.00 116.14 2e6p n LEU 12 Ca -0.01 -0.01 -0.07 0.00 -0.03 0.00 0.00 56.01 55.90 2e6p n LEU 12 Cb 0.52 0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 2e6p n LEU 12 CO 0.43 0.23 0.24 -0.55 -1.33 0.00 0.00 177.39 176.41 2e6p s SER 13 N -3.77 -0.83 1.10 -1.43 0.15 -1.25 -4.36 113.70 103.31 2e6p s SER 13 Ca -0.03 1.35 -0.08 0.00 0.70 0.00 0.00 55.95 57.89 2e6p s SER 13 Cb 0.01 1.44 0.12 0.00 -1.71 0.00 0.00 66.02 65.88 2e6p s SER 13 CO 0.16 -0.23 0.43 -0.81 1.20 0.00 0.00 173.24 173.99 2e6p n PRO 14 N 4.63 -1.85 -0.12 5.44 -0.04 -1.26 -0.00 135.00 141.79 2e6p n PRO 14 Ca -0.18 -0.68 -0.16 0.00 -0.04 0.00 0.00 63.50 62.43 2e6p n PRO 14 Cb 0.55 -0.64 -0.13 0.00 -0.04 0.00 0.00 33.50 33.24 2e6p n PRO 14 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2e6p n GLN 15 N -2.81 0.66 0.00 0.54 6.02 -1.26 -4.95 117.38 115.58 2e6p n GLN 15 Ca 0.06 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2e6p n GLN 15 Cb 0.23 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 29.97 2e6p n GLN 15 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2e6p n ASP 16 N -3.14 0.00 -3.66 1.08 8.00 -1.26 -5.05 116.55 112.51 2e6p n ASP 16 Ca -0.43 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 54.93 2e6p n ASP 16 Cb 1.03 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 42.05 2e6p n ASP 16 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2e6p s LYS 17 N -0.92 0.72 0.20 -1.24 2.47 -1.26 -4.21 119.74 115.50 2e6p s LYS 17 Ca 0.00 0.63 0.09 0.00 -1.56 0.00 0.00 55.97 55.13 2e6p s LYS 17 Cb 0.00 0.35 -0.04 0.00 -1.46 0.00 0.00 37.83 36.68 2e6p s LYS 17 CO 0.00 -0.12 -0.05 0.14 0.16 0.00 0.00 175.35 175.47 2e6p s VAL 18 N -0.05 3.36 -0.09 4.02 -7.23 -1.20 -5.00 120.40 114.20 2e6p s VAL 18 Ca -0.03 -1.68 0.03 0.00 -1.81 0.00 0.00 61.98 58.50 2e6p s VAL 18 Cb -0.04 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 34.21 2e6p s VAL 18 CO 0.02 -0.18 -0.20 -0.55 -0.31 0.00 0.00 175.10 173.89 2e6p s SER 19 N -3.06 2.67 -0.02 4.85 0.15 -1.26 -0.22 113.70 116.81 2e6p s SER 19 Ca 0.27 -0.48 -0.05 0.00 0.70 0.00 0.00 55.95 56.39 2e6p s SER 19 Cb -0.08 -1.22 0.01 0.00 -1.71 0.00 0.00 66.02 63.01 2e6p s SER 19 CO 0.17 0.11 0.11 -0.76 1.20 0.00 0.00 173.24 174.07 2e6p s LEU 20 N 0.50 1.61 -0.03 3.45 1.43 0.05 -4.97 118.68 120.72 2e6p s LEU 20 Ca -0.16 0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.00 2e6p s LEU 20 Cb -0.17 0.48 -0.01 0.00 0.03 0.00 0.00 46.19 46.52 2e6p s LEU 20 CO 0.06 -0.18 -0.17 -0.89 0.23 0.00 0.00 176.35 175.40 2e6p s THR 21 N -0.59 1.34 0.21 5.49 2.01 -1.26 -1.82 115.64 121.03 2e6p s THR 21 Ca -0.07 -0.70 -0.00 0.00 0.31 0.00 0.00 61.69 61.23 2e6p s THR 21 Cb -0.04 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 2e6p s THR 21 CO 0.01 0.39 0.15 -0.36 -0.69 0.00 0.00 174.62 174.11 2e6p s PHE 22 N -0.16 1.20 -0.02 4.92 0.08 0.58 -4.94 117.98 119.64 2e6p s PHE 22 Ca 0.01 -1.40 0.03 0.00 0.12 0.00 0.00 56.93 55.70 2e6p s PHE 22 Cb -0.09 -0.56 -0.03 0.00 -0.57 0.00 0.00 43.02 41.77 2e6p s PHE 22 CO 0.01 -0.67 -0.08 0.99 -0.10 0.00 0.00 175.22 175.36 2e6p s THR 23 N -4.08 3.54 0.24 0.64 2.01 -1.26 -0.99 115.64 115.73 2e6p s THR 23 Ca 0.39 -0.70 -0.27 0.00 0.31 0.00 0.00 61.69 61.42 2e6p s THR 23 Cb 0.06 -2.49 -0.16 0.00 0.01 0.00 0.00 72.50 69.93 2e6p s THR 23 CO 0.14 0.48 0.61 0.41 -0.69 0.00 0.00 174.62 175.57 2e6p n THR 24 N 1.87 1.92 -3.02 -0.82 -1.04 -1.08 -2.43 114.28 109.68 2e6p n THR 24 Ca -0.16 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.05 61.22 2e6p n THR 24 Cb 0.53 -0.25 0.06 0.00 -1.82 0.00 0.00 70.33 68.85 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 1.81 -2.50 -3.91 8.00 7.64 -0.51 -4.82 113.62 119.33 2e6p n SER 25 Ca 0.15 -0.41 -0.24 0.00 1.01 0.00 0.00 58.87 59.38 2e6p n SER 25 Cb 0.28 -3.65 -0.08 0.00 -1.01 0.00 0.00 64.21 59.75 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 -5.08 1.91 -0.26 1.43 0.41 -1.02 -4.75 118.70 111.35 2e6p s GLU 26 Ca 0.06 -2.16 -0.11 0.00 -0.41 0.00 0.00 54.97 52.36 2e6p s GLU 26 Cb -0.03 -0.37 -0.05 0.00 -1.78 0.00 0.00 34.13 31.90 2e6p s GLU 26 CO 0.50 -0.54 0.17 0.50 -0.49 0.00 0.00 175.26 175.40 2e6p s ARG 27 N -3.63 3.99 -0.24 1.61 3.52 -1.26 -0.45 118.95 122.49 2e6p s ARG 27 Ca 0.27 -0.30 0.02 0.00 -0.13 0.00 0.00 55.73 55.59 2e6p s ARG 27 Cb 0.02 -3.59 0.05 0.00 -1.56 0.00 0.00 34.95 29.87 2e6p s ARG 27 CO 0.18 -0.07 -0.12 0.08 -0.81 0.00 0.00 175.30 174.56 2e6p s VAL 28 N 1.42 2.23 -0.14 7.11 1.01 -0.79 -4.96 120.40 126.28 2e6p s VAL 28 Ca 0.07 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.64 2e6p s VAL 28 Cb -0.15 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.05 2e6p s VAL 28 CO 0.08 0.12 -0.11 0.54 0.00 0.00 0.00 175.10 175.73 2e6p s VAL 29 N 1.17 1.34 0.36 2.92 0.11 -1.26 -0.35 120.40 124.69 2e6p s VAL 29 Ca -0.05 -0.52 -0.00 0.00 -2.93 0.00 0.00 61.98 58.48 2e6p s VAL 29 Cb -0.18 -1.32 0.07 0.00 -1.53 0.00 0.00 36.38 33.43 2e6p s VAL 29 CO -0.07 0.39 0.49 0.18 -3.33 0.00 0.00 175.10 172.76 2e6p n LEU 30 N 4.84 0.00 -3.67 2.54 4.77 -0.51 -4.93 117.00 120.04 2e6p n LEU 30 Ca -0.15 -1.03 -0.09 0.00 -0.03 0.00 0.00 56.01 54.72 2e6p n LEU 30 Cb 0.50 -0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 41.18 2e6p n LEU 30 CO 0.19 -0.74 0.19 -0.89 -1.33 0.00 0.00 177.39 174.81 2e6p s THR 31 N -1.39 -0.06 -0.01 -5.08 2.01 -1.26 -3.86 115.64 105.99 2e6p s THR 31 Ca 0.32 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.39 2e6p s THR 31 Cb -0.02 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.70 2e6p s THR 31 CO 0.21 0.02 -0.04 0.00 -0.69 0.00 0.00 174.62 174.12 2e6p s GLU 33 N 0.04 1.80 0.39 0.00 2.12 0.99 0.03 118.70 124.07 2e6p s GLU 33 Ca -0.00 -1.12 0.04 0.00 0.36 0.00 0.00 54.97 54.24 2e6p s GLU 33 Cb -0.04 -2.03 -0.04 0.00 0.26 0.00 0.00 34.13 32.28 2e6p s GLU 33 CO -0.00 0.51 0.08 -0.51 -0.54 0.00 0.00 175.26 174.79 2e6p s LEU 34 N -1.50 2.16 -0.37 2.70 1.43 -0.81 -2.63 118.68 119.66 2e6p s LEU 34 Ca 0.13 -1.53 0.07 0.00 -1.03 0.00 0.00 54.13 51.77 2e6p s LEU 34 Cb -0.10 -0.35 0.60 0.00 0.03 0.00 0.00 46.19 46.36 2e6p s LEU 34 CO 0.04 -0.76 1.70 -1.54 0.23 0.00 0.00 176.35 176.02 2e6p n SER 35 N -1.03 3.19 -3.36 2.29 3.41 -0.64 -4.78 113.62 112.71 2e6p n SER 35 Ca -0.06 -3.67 -0.03 0.00 -0.26 0.00 0.00 58.87 54.85 2e6p n SER 35 Cb 0.66 -0.74 -0.05 0.00 -0.26 0.00 0.00 64.21 63.82 2e6p n SER 35 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2e6p s ARG 36 N -3.26 0.47 0.54 4.33 0.52 -1.26 -4.78 118.95 115.51 2e6p s ARG 36 Ca 0.51 0.93 -0.19 0.00 -0.52 0.00 0.00 55.73 56.46 2e6p s ARG 36 Cb 0.44 0.25 -0.06 0.00 0.52 0.00 0.00 34.95 36.10 2e6p s ARG 36 CO 0.06 -0.51 1.09 0.08 0.02 0.00 0.00 175.30 176.04 2e6p s VAL 37 N 2.73 3.42 -1.25 3.52 1.01 -1.26 -3.77 120.40 124.80 2e6p s VAL 37 Ca 0.11 0.85 -0.05 0.00 0.00 0.00 0.00 61.98 62.89 2e6p s VAL 37 Cb -0.14 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 2e6p s VAL 37 CO -0.18 -0.22 0.73 0.47 0.00 0.00 0.00 175.10 175.90 2e6p n ASP 38 N -1.32 -2.62 -4.34 3.32 9.92 -1.26 -4.91 116.55 115.35 2e6p n ASP 38 Ca 0.11 -0.86 -0.32 0.00 -0.53 0.00 0.00 54.79 53.19 2e6p n ASP 38 Cb 0.52 -3.98 -0.15 0.00 -0.64 0.00 0.00 41.12 36.86 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 -3.61 2.53 0.73 1.24 5.36 -1.25 -5.11 117.98 117.88 2e6p s PHE 39 Ca 0.16 -0.54 -0.12 0.00 -0.96 0.00 0.00 56.93 55.46 2e6p s PHE 39 Cb -0.04 -1.62 0.04 0.00 -0.34 0.00 0.00 43.02 41.05 2e6p s PHE 39 CO 0.82 -0.10 1.10 -1.25 -1.46 0.00 0.00 175.22 174.33 2e6p s PRO 40 N -0.29 2.45 0.04 10.12 0.04 -1.26 -5.02 135.00 141.07 2e6p s PRO 40 Ca 0.01 1.25 -0.27 0.00 0.04 0.00 0.00 61.00 62.03 2e6p s PRO 40 Cb -0.13 -1.92 0.09 0.00 0.04 0.00 0.00 34.50 32.59 2e6p s PRO 40 CO 0.03 -1.50 1.22 0.00 0.04 0.00 0.00 177.00 176.78 2e6p s ALA 41 N -2.70 -2.24 0.09 8.56 0.00 -1.26 -4.63 121.76 119.57 2e6p s ALA 41 Ca 0.63 -0.11 -0.17 0.00 0.00 0.00 0.00 51.96 52.32 2e6p s ALA 41 Cb -0.18 0.89 0.04 0.00 0.00 0.00 0.00 23.12 23.86 2e6p s ALA 41 CO 0.51 -1.13 0.40 0.99 0.00 0.00 0.00 175.76 176.53 2e6p s THR 42 N -2.03 0.06 0.11 0.00 2.01 0.27 -4.98 115.64 111.08 2e6p s THR 42 Ca 0.28 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.80 2e6p s THR 42 Cb -0.01 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 2e6p s THR 42 CO 0.01 -0.29 0.06 0.26 -0.69 0.00 0.00 174.62 173.97 2e6p s TRP 43 N -3.18 3.09 0.03 4.92 0.52 -1.26 -0.74 118.94 122.32 2e6p s TRP 43 Ca -0.01 0.01 -0.06 0.00 0.02 0.00 0.00 56.10 56.07 2e6p s TRP 43 Cb 0.01 -1.56 -0.01 0.00 -1.15 0.00 0.00 33.47 30.76 2e6p s TRP 43 CO -0.07 0.51 0.10 0.71 0.02 0.00 0.00 176.95 178.21 2e6p s TYR 44 N -1.45 0.16 -0.04 -1.98 1.51 0.22 -2.98 117.35 112.80 2e6p s TYR 44 Ca 0.28 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.94 2e6p s TYR 44 Cb -0.11 -0.12 0.02 0.00 -0.11 0.00 0.00 41.96 41.63 2e6p s TYR 44 CO 0.21 -0.34 -0.05 0.21 -1.11 0.00 0.00 175.55 174.46 2e6p s LYS 45 N -2.29 0.81 -1.37 -0.62 2.20 0.03 -0.31 119.74 118.20 2e6p s LYS 45 Ca -0.08 -0.14 -0.16 0.00 -0.36 0.00 0.00 55.97 55.23 2e6p s LYS 45 Cb -0.03 -0.80 0.16 0.00 -1.51 0.00 0.00 37.83 35.65 2e6p s LYS 45 CO -0.03 -0.04 0.47 -3.47 -0.36 0.00 0.00 175.35 171.92 2e6p n ASP 46 N 3.84 -1.98 -1.03 1.43 2.03 -0.97 0.18 116.55 120.04 2e6p n ASP 46 Ca -0.24 -0.73 -0.07 0.00 0.52 0.00 0.00 54.79 54.27 2e6p n ASP 46 Cb 0.52 -1.72 0.01 0.00 -0.72 0.00 0.00 41.12 39.20 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 -0.97 0.22 2.79 0.27 0.00 -1.26 -5.04 105.19 101.21 2e6p n GLY 47 Ca 0.07 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.72 0.66 0.33 1.61 -0.21 0.47 -5.12 119.66 112.67 2e6p s GLN 48 Ca 0.07 0.07 -0.29 0.00 0.02 0.00 0.00 55.36 55.22 2e6p s GLN 48 Cb -0.03 -0.96 -0.11 0.00 1.00 0.00 0.00 33.01 32.91 2e6p s GLN 48 CO 0.08 -0.27 1.53 1.17 -2.12 0.00 0.00 175.29 175.69 2e6p n LYS 49 N 4.95 2.65 -3.47 2.91 4.81 -1.26 -0.79 118.16 127.96 2e6p n LYS 49 Ca -0.10 0.94 -0.24 0.00 -0.87 0.00 0.00 58.31 58.04 2e6p n LYS 49 Cb 0.50 -2.69 -0.01 0.00 0.02 0.00 0.00 35.03 32.85 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 -0.50 5.13 -0.24 3.15 -7.23 -1.16 -4.89 120.40 114.66 2e6p s VAL 50 Ca 0.59 -0.52 0.02 0.00 -1.81 0.00 0.00 61.98 60.27 2e6p s VAL 50 Cb -0.50 -3.86 0.05 0.00 0.56 0.00 0.00 36.38 32.64 2e6p s VAL 50 CO 0.55 -0.51 -0.12 -1.61 -0.31 0.00 0.00 175.10 173.10 2e6p s GLU 51 N -4.22 2.32 -0.08 4.82 8.01 -1.26 -4.93 118.70 123.37 2e6p s GLU 51 Ca 0.39 -1.18 -0.36 0.00 0.01 0.00 0.00 54.97 53.83 2e6p s GLU 51 Cb -0.10 -2.77 -0.14 0.00 -4.31 0.00 0.00 34.13 26.82 2e6p s GLU 51 CO 0.35 -0.49 1.72 0.39 0.01 0.00 0.00 175.26 177.23 2e6p n GLU 52 N 4.50 1.75 -2.59 1.61 4.71 -1.26 -4.66 120.64 124.69 2e6p n GLU 52 Ca -0.15 0.64 -0.04 0.00 -0.01 0.00 0.00 57.16 57.60 2e6p n GLU 52 Cb 0.44 -2.40 0.01 0.00 -1.01 0.00 0.00 31.44 28.49 2e6p n GLU 52 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 2e6p n SER 53 N 5.17 -1.16 0.26 1.62 3.41 -0.01 -4.94 113.62 117.96 2e6p n SER 53 Ca 0.22 -1.75 0.17 0.00 -0.26 0.00 0.00 58.87 57.25 2e6p n SER 53 Cb 0.23 1.92 0.91 0.00 -0.26 0.00 0.00 64.21 67.01 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 -2.02 0.15 114.58 121.16 2e6p h GLU 54 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.26 2e6p h GLU 54 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2e6p h GLU 54 CO 0.22 0.00 -0.88 1.28 0.07 0.00 0.00 179.01 179.70 2e6p n LEU 55 N -3.69 0.74 -3.66 3.06 4.77 -1.26 -4.67 117.00 112.29 2e6p n LEU 55 Ca -0.01 0.22 -0.28 0.00 -0.03 0.00 0.00 56.01 55.91 2e6p n LEU 55 Cb 0.21 -0.11 -0.16 0.00 -2.33 0.00 0.00 43.42 41.03 2e6p n LEU 55 CO 0.26 -0.09 -0.34 -0.22 -1.33 0.00 0.00 177.39 175.66 2e6p s LEU 56 N -4.65 1.09 -0.11 2.23 0.20 0.54 -4.43 118.68 113.55 2e6p s LEU 56 Ca 0.03 -1.09 -0.05 0.00 0.69 0.00 0.00 54.13 53.70 2e6p s LEU 56 Cb 0.12 -0.53 -0.04 0.00 -0.43 0.00 0.00 46.19 45.32 2e6p s LEU 56 CO 0.77 -0.37 0.10 -0.69 -0.29 0.00 0.00 176.35 175.86 2e6p s VAL 57 N 1.92 5.16 -0.12 1.68 1.01 -0.93 -0.83 120.40 128.29 2e6p s VAL 57 Ca 0.05 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 2e6p s VAL 57 Cb -0.17 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.01 2e6p s VAL 57 CO -0.20 0.61 -0.06 -0.69 0.00 0.00 0.00 175.10 174.76 2e6p s VAL 58 N -0.99 0.96 0.41 2.92 1.01 -1.26 -1.31 120.40 122.14 2e6p s VAL 58 Ca 0.15 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 61.87 2e6p s VAL 58 Cb -0.12 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 2e6p s VAL 58 CO 0.04 0.28 0.37 -0.54 0.00 0.00 0.00 175.10 175.25 2e6p s LYS 59 N 1.72 2.53 -0.25 2.72 -0.14 -1.03 -5.03 119.74 120.26 2e6p s LYS 59 Ca 0.04 -1.53 -0.02 0.00 -1.36 0.00 0.00 55.97 53.10 2e6p s LYS 59 Cb -0.13 -2.37 0.13 0.00 -1.68 0.00 0.00 37.83 33.78 2e6p s LYS 59 CO -0.08 -0.18 0.35 1.41 -0.76 0.00 0.00 175.35 176.09 2e6p s MET 60 N -4.12 0.33 -0.79 1.68 1.75 -1.25 -3.67 119.30 113.23 2e6p s MET 60 Ca 0.48 0.30 0.02 0.00 -1.25 0.00 0.00 55.69 55.24 2e6p s MET 60 Cb -0.03 -0.59 0.22 0.00 2.84 0.00 0.00 34.83 37.27 2e6p s MET 60 CO 0.28 -0.78 0.77 -0.25 -0.65 0.00 0.00 175.02 174.39 2e6p n ASP 61 N 5.35 3.99 -3.12 1.11 8.00 -0.10 -4.92 116.55 126.86 2e6p n ASP 61 Ca -0.03 -3.27 -0.00 0.00 0.71 0.00 0.00 54.79 52.20 2e6p n ASP 61 Cb 0.49 -0.89 -0.00 0.00 -0.02 0.00 0.00 41.12 40.71 2e6p n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2e6p n GLY 62 N 1.69 -0.25 2.41 0.44 0.00 -1.26 -2.78 105.19 105.44 2e6p n GLY 62 Ca 0.24 0.06 -0.17 0.00 0.00 0.00 0.00 46.02 46.15 2e6p n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e6p n ARG 63 N 1.82 -1.28 -3.73 1.61 1.74 -1.26 -4.93 116.66 110.63 2e6p n ARG 63 Ca -0.01 0.97 -0.30 0.00 -0.77 0.00 0.00 57.85 57.74 2e6p n ARG 63 Cb 0.28 -5.31 -0.15 0.00 -1.02 0.00 0.00 32.46 26.26 2e6p n ARG 63 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2e6p s LYS 64 N -4.15 0.69 -0.37 5.56 1.02 -1.12 -1.93 119.74 119.45 2e6p s LYS 64 Ca 0.00 -0.99 -0.06 0.00 0.02 0.00 0.00 55.97 54.94 2e6p s LYS 64 Cb 0.00 -1.96 0.06 0.00 -0.52 0.00 0.00 37.83 35.41 2e6p s LYS 64 CO 0.00 -0.96 0.15 -1.01 -0.92 0.00 0.00 175.35 172.61 2e6p s HIS 65 N 1.66 3.33 -0.01 3.18 3.76 0.10 -0.92 115.29 126.39 2e6p s HIS 65 Ca 0.09 -1.67 0.07 0.00 -0.15 0.00 0.00 55.06 53.40 2e6p s HIS 65 Cb -0.17 -2.60 -0.02 0.00 1.11 0.00 0.00 32.58 30.90 2e6p s HIS 65 CO -0.24 -0.81 -0.23 -0.98 -0.85 0.00 0.00 174.74 171.62 2e6p s ARG 66 N 1.35 1.87 -0.27 1.40 1.70 -1.24 -0.90 118.95 122.85 2e6p s ARG 66 Ca 0.01 -0.86 -0.07 0.00 -0.47 0.00 0.00 55.73 54.34 2e6p s ARG 66 Cb -0.21 -1.83 -0.01 0.00 -0.57 0.00 0.00 34.95 32.33 2e6p s ARG 66 CO 0.01 0.50 0.08 -1.17 -1.08 0.00 0.00 175.30 173.63 2e6p s LEU 67 N -0.61 3.62 0.15 -1.89 0.20 -1.25 -2.48 118.68 116.42 2e6p s LEU 67 Ca 0.09 -0.44 -0.02 0.00 0.69 0.00 0.00 54.13 54.46 2e6p s LEU 67 Cb -0.09 -1.90 -0.05 0.00 -0.43 0.00 0.00 46.19 43.72 2e6p s LEU 67 CO -0.01 -0.11 0.35 -0.63 -0.29 0.00 0.00 176.35 175.66 2e6p s ILE 68 N 1.56 5.23 -0.06 6.68 1.01 -0.43 -1.42 121.20 133.78 2e6p s ILE 68 Ca 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 2e6p s ILE 68 Cb -0.16 -3.67 0.04 0.00 0.01 0.00 0.00 42.46 38.68 2e6p s ILE 68 CO 0.03 -0.03 0.09 -0.76 0.00 0.00 0.00 174.94 174.27 2e6p s LEU 69 N -2.91 0.10 0.18 2.97 1.43 0.52 -2.18 118.68 118.79 2e6p s LEU 69 Ca 0.39 0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 53.51 2e6p s LEU 69 Cb -0.12 -0.04 0.08 0.00 0.03 0.00 0.00 46.19 46.14 2e6p s LEU 69 CO 0.27 -0.26 1.52 1.55 0.23 0.00 0.00 176.35 179.67 2e6p h PRO 70 N 8.42 0.75 -4.52 1.29 0.13 -1.82 -2.12 132.00 134.13 2e6p h PRO 70 Ca -0.13 -0.40 -0.59 0.00 -0.87 0.00 0.00 66.00 64.02 2e6p h PRO 70 Cb 1.12 0.02 -0.37 0.00 0.13 0.00 0.00 31.00 31.90 2e6p h PRO 70 CO 0.16 1.02 -0.82 -2.00 -0.23 0.00 0.00 178.00 176.13 2e6p s GLU 71 N -4.29 2.02 -0.94 0.86 2.12 -1.24 -4.34 118.70 112.88 2e6p s GLU 71 Ca -0.09 -0.58 -0.20 0.00 0.36 0.00 0.00 54.97 54.46 2e6p s GLU 71 Cb 0.12 -2.10 0.11 0.00 0.26 0.00 0.00 34.13 32.52 2e6p s GLU 71 CO 0.85 -0.31 1.20 0.00 -0.54 0.00 0.00 175.26 176.46 2e6p s ALA 72 N 1.51 3.19 0.27 6.30 0.00 0.40 -4.83 121.76 128.60 2e6p s ALA 72 Ca 0.03 -2.60 -0.20 0.00 0.00 0.00 0.00 51.96 49.19 2e6p s ALA 72 Cb -0.14 -4.16 -0.09 0.00 0.00 0.00 0.00 23.12 18.73 2e6p s ALA 72 CO -0.09 -3.13 0.78 0.15 0.00 0.00 0.00 175.76 173.47 2e6p s LYS 73 N 3.32 4.28 0.43 0.00 1.02 -1.26 -1.43 119.74 126.11 2e6p s LYS 73 Ca 0.36 0.95 0.27 0.00 0.02 0.00 0.00 55.97 57.56 2e6p s LYS 73 Cb -0.04 -2.76 1.34 0.00 -0.52 0.00 0.00 37.83 35.84 2e6p s LYS 73 CO -0.09 0.31 1.67 0.28 -0.92 0.00 0.00 175.35 176.61 2e6p h VAL 74 N 2.56 0.25 -0.52 3.17 2.07 -1.95 1.01 116.25 122.83 2e6p h VAL 74 Ca -0.48 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 2e6p h VAL 74 Cb 1.19 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2e6p h VAL 74 CO 0.65 0.03 0.13 1.56 0.02 0.00 0.00 177.57 179.96 2e6p h GLN 75 N 0.17 0.79 -0.23 1.57 4.20 -1.92 -2.03 115.11 117.67 2e6p h GLN 75 Ca 0.74 -0.15 0.07 0.00 0.06 0.00 0.00 58.65 59.36 2e6p h GLN 75 Cb 2.25 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.90 2e6p h GLN 75 CO -0.36 0.71 0.26 0.22 -0.67 0.00 0.00 178.83 179.00 2e6p h ASP 76 N 0.77 0.00 -2.00 1.46 3.58 0.70 -3.39 116.42 117.54 2e6p h ASP 76 Ca 0.17 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 57.10 2e6p h ASP 76 Cb 0.27 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 2e6p h ASP 76 CO -0.00 0.00 1.47 -0.94 -2.88 0.00 0.00 179.24 176.89 2e6p s SER 77 N -5.59 5.14 0.00 2.28 1.04 -0.76 -4.83 113.70 110.97 2e6p s SER 77 Ca -0.04 1.14 0.00 0.00 0.48 0.00 0.00 55.95 57.52 2e6p s SER 77 Cb 0.15 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.76 2e6p s SER 77 CO 0.53 -2.33 0.00 0.61 0.98 0.00 0.00 173.24 173.03 2e6p n GLY 78 N 5.77 -0.90 3.71 7.32 0.00 -0.60 -4.91 105.19 115.57 2e6p n GLY 78 Ca 0.29 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.00 4.53 -0.12 1.61 2.12 -1.26 -2.57 118.70 121.01 2e6p s GLU 79 Ca 0.00 1.38 -0.02 0.00 0.36 0.00 0.00 54.97 56.68 2e6p s GLU 79 Cb 0.00 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 2e6p s GLU 79 CO 0.00 -0.09 -0.03 -0.06 -0.54 0.00 0.00 175.26 174.54 2e6p s PHE 80 N 1.16 3.05 0.07 5.30 0.40 -0.56 -2.30 117.98 125.11 2e6p s PHE 80 Ca 0.50 -0.09 0.08 0.00 -0.60 0.00 0.00 56.93 56.82 2e6p s PHE 80 Cb -0.20 -1.87 -0.03 0.00 0.51 0.00 0.00 43.02 41.43 2e6p s PHE 80 CO 0.26 0.18 -0.22 -2.00 0.70 0.00 0.00 175.22 174.13 2e6p s GLU 81 N -0.19 1.34 -0.35 0.44 -6.30 0.58 -1.92 118.70 112.30 2e6p s GLU 81 Ca 0.04 -1.08 0.02 0.00 -2.50 0.00 0.00 54.97 51.45 2e6p s GLU 81 Cb -0.13 -1.56 0.11 0.00 0.00 0.00 0.00 34.13 32.55 2e6p s GLU 81 CO 0.02 0.38 0.10 0.00 0.02 0.00 0.00 175.26 175.79 2e6p s ARG 83 N 1.02 4.26 0.00 0.00 3.52 0.09 -3.67 118.95 124.17 2e6p s ARG 83 Ca 0.12 1.10 0.00 0.00 -0.13 0.00 0.00 55.73 56.82 2e6p s ARG 83 Cb -0.19 -3.61 0.00 0.00 -1.56 0.00 0.00 34.95 29.58 2e6p s ARG 83 CO -0.13 -0.46 0.00 -2.37 -0.81 0.00 0.00 175.30 171.53 2e6p n THR 84 N 5.04 0.00 0.00 4.11 5.66 -1.21 -0.57 114.28 127.31 2e6p n THR 84 Ca 0.07 0.08 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 2e6p n THR 84 Cb 0.48 -0.90 0.00 0.00 -1.55 0.00 0.00 70.33 68.35 2e6p n THR 84 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2e6p n GLU 85 N -1.76 0.00 0.00 1.09 4.07 -1.26 -4.68 120.64 118.09 2e6p n GLU 85 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2e6p n GLU 85 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2e6p n GLU 85 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2e6p n GLY 86 N 3.25 0.73 3.68 8.31 0.00 -1.26 -5.08 105.19 114.81 2e6p n GLY 86 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.56 1.52 -0.09 1.61 -7.23 -1.26 -5.14 120.40 109.25 2e6p s VAL 87 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 2e6p s VAL 87 Cb 0.00 -2.58 0.08 0.00 0.56 0.00 0.00 36.38 34.45 2e6p s VAL 87 CO 0.00 0.00 0.75 -0.44 -0.31 0.00 0.00 175.10 175.10 2e6p s SER 88 N -3.78 -0.60 0.37 4.85 0.01 -1.26 -3.30 113.70 109.99 2e6p s SER 88 Ca 0.21 0.70 0.07 0.00 1.31 0.00 0.00 55.95 58.24 2e6p s SER 88 Cb 0.06 0.54 -0.01 0.00 0.21 0.00 0.00 66.02 66.82 2e6p s SER 88 CO 0.11 -0.53 0.45 0.00 0.41 0.00 0.00 173.24 173.68 2e6p s ALA 89 N -1.07 4.23 0.01 1.44 0.00 -1.24 -4.89 121.76 120.23 2e6p s ALA 89 Ca -0.08 -1.61 0.02 0.00 0.00 0.00 0.00 51.96 50.29 2e6p s ALA 89 Cb -0.00 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.62 2e6p s ALA 89 CO 0.08 -0.12 -0.07 -0.06 0.00 0.00 0.00 175.76 175.59 2e6p s PHE 90 N -2.28 0.63 -0.06 0.00 0.40 -1.25 -3.18 117.98 112.24 2e6p s PHE 90 Ca 0.47 -0.19 -0.02 0.00 -0.60 0.00 0.00 56.93 56.59 2e6p s PHE 90 Cb -0.08 -0.39 0.04 0.00 0.51 0.00 0.00 43.02 43.09 2e6p s PHE 90 CO 0.30 -0.02 0.10 -0.06 0.70 0.00 0.00 175.22 176.25 2e6p s PHE 91 N -0.41 -0.07 -0.43 0.36 0.40 -0.81 -3.23 117.98 113.80 2e6p s PHE 91 Ca 0.00 0.39 -0.20 0.00 -0.60 0.00 0.00 56.93 56.52 2e6p s PHE 91 Cb -0.04 -0.28 0.02 0.00 0.51 0.00 0.00 43.02 43.23 2e6p s PHE 91 CO -0.00 -0.19 0.60 0.20 0.70 0.00 0.00 175.22 176.52 2e6p s GLY 92 N 1.79 1.76 -0.10 4.36 0.00 0.70 -1.49 107.32 114.34 2e6p s GLY 92 Ca -0.01 -1.24 -0.02 0.00 0.00 0.00 0.00 44.72 43.45 2e6p s GLY 92 CO -0.04 1.44 -0.03 0.14 0.00 0.00 0.00 173.10 174.61 2e6p s VAL 93 N 2.66 3.99 -0.20 1.40 1.01 -1.06 -0.77 120.40 127.43 2e6p s VAL 93 Ca 0.20 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 2e6p s VAL 93 Cb -0.15 -2.69 0.06 0.00 0.00 0.00 0.00 36.38 33.60 2e6p s VAL 93 CO 0.17 0.57 0.01 -0.89 0.00 0.00 0.00 175.10 174.96 2e6p s THR 94 N -0.47 0.80 -0.42 3.92 2.01 -0.75 -1.56 115.64 119.17 2e6p s THR 94 Ca 0.08 -0.69 -0.14 0.00 0.31 0.00 0.00 61.69 61.25 2e6p s THR 94 Cb -0.12 -1.21 0.04 0.00 0.01 0.00 0.00 72.50 71.22 2e6p s THR 94 CO 0.02 -0.14 0.29 -0.69 -0.69 0.00 0.00 174.62 173.42 2e6p s VAL 95 N 1.74 4.98 -0.23 3.82 1.01 -1.26 -0.30 120.40 130.16 2e6p s VAL 95 Ca -0.02 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 2e6p s VAL 95 Cb -0.17 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2e6p s VAL 95 CO -0.07 -0.37 0.09 -1.10 0.00 0.00 0.00 175.10 173.64 2e6p s GLN 96 N 1.62 3.81 0.26 2.72 -0.21 -0.17 -4.70 119.66 123.00 2e6p s GLN 96 Ca 0.04 -0.41 -0.30 0.00 0.02 0.00 0.00 55.36 54.71 2e6p s GLN 96 Cb -0.21 -3.33 -0.11 0.00 1.00 0.00 0.00 33.01 30.36 2e6p s GLN 96 CO 0.08 -0.02 1.53 0.16 -2.12 0.00 0.00 175.29 174.91 2e6p s ASP 97 N 1.20 6.51 1.03 5.90 -4.77 -1.26 -2.62 116.67 122.65 2e6p s ASP 97 Ca 0.05 2.80 -0.02 0.00 -3.30 0.00 0.00 52.55 52.08 2e6p s ASP 97 Cb -0.14 -2.63 0.03 0.00 -1.09 0.00 0.00 42.92 39.10 2e6p s ASP 97 CO 0.04 -0.82 0.12 -0.81 0.70 0.00 0.00 175.17 174.40 2e6p n PRO 98 N 2.45 -1.26 -3.76 2.11 -0.04 -1.26 -4.91 135.00 128.34 2e6p n PRO 98 Ca 0.08 -0.19 -0.30 0.00 -0.04 0.00 0.00 63.50 63.05 2e6p n PRO 98 Cb 0.39 -0.18 -0.14 0.00 -0.04 0.00 0.00 33.50 33.53 2e6p n PRO 98 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2e6p s SER 99 N -1.84 3.85 -0.02 3.54 0.15 -1.26 -5.09 113.70 113.03 2e6p s SER 99 Ca 0.08 -2.47 -0.30 0.00 0.70 0.00 0.00 55.95 53.96 2e6p s SER 99 Cb -0.01 -1.10 0.11 0.00 -1.71 0.00 0.00 66.02 63.31 2e6p s SER 99 CO 0.06 -0.30 1.05 -0.83 1.20 0.00 0.00 173.24 174.42 2e6p s GLY 100 N 0.54 -0.37 -0.22 9.45 0.00 -1.26 -5.13 107.32 110.34 2e6p s GLY 100 Ca 0.16 0.95 -0.29 0.00 0.00 0.00 0.00 44.72 45.54 2e6p s GLY 100 CO -0.04 0.29 1.61 2.56 0.00 0.00 0.00 173.10 177.52 2e6p s PRO 101 N -2.87 3.80 -0.10 2.90 0.04 -1.26 -4.99 135.00 132.53 2e6p s PRO 101 Ca 0.09 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 62.78 2e6p s PRO 101 Cb -0.00 -4.03 0.03 0.00 0.04 0.00 0.00 34.50 30.54 2e6p s PRO 101 CO -0.05 -1.28 -0.03 0.45 0.04 0.00 0.00 177.00 176.13 2e6p s SER 102 N 4.19 1.94 -1.16 6.66 0.15 -1.26 -5.07 113.70 119.15 2e6p s SER 102 Ca 0.71 -0.23 -0.19 0.00 0.70 0.00 0.00 55.95 56.94 2e6p s SER 102 Cb -0.25 -0.62 0.08 0.00 -1.71 0.00 0.00 66.02 63.52 2e6p s SER 102 CO 0.29 -0.17 1.54 -0.94 1.20 0.00 0.00 173.24 175.16 2e6p s SER 103 N 1.85 6.74 0.00 5.45 1.04 -1.26 -5.29 113.70 122.23 2e6p s SER 103 Ca 0.04 -2.15 0.29 0.00 0.48 0.00 0.00 55.95 54.61 2e6p s SER 103 Cb -0.13 -2.53 1.71 0.00 0.10 0.00 0.00 66.02 65.17 2e6p s SER 103 CO -0.07 -1.22 2.05 0.61 0.98 0.00 0.00 173.24 175.60