#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 6.47 -0.02 1.61 0.01 -1.26 -5.02 113.70 115.49 2e6p s SER 2 Ca 0.00 0.51 -0.20 0.00 1.31 0.00 0.00 55.95 57.57 2e6p s SER 2 Cb 0.00 -2.07 -0.30 0.00 0.21 0.00 0.00 66.02 63.86 2e6p s SER 2 CO 0.00 0.19 0.97 -1.28 0.41 0.00 0.00 173.24 173.52 2e6p h SER 3 N 3.53 0.57 -2.65 2.44 0.87 -2.10 -3.50 113.55 112.71 2e6p h SER 3 Ca -0.48 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.18 2e6p h SER 3 Cb 1.18 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2e6p h SER 3 CO 0.70 1.42 0.00 0.61 -0.53 0.00 0.00 176.83 179.03 2e6p n GLY 4 N 1.54 2.82 3.64 5.77 0.00 -1.26 -5.05 105.19 112.64 2e6p n GLY 4 Ca -0.14 -1.65 -0.37 0.00 0.00 0.00 0.00 46.02 43.86 2e6p n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2e6p n SER 5 N 0.00 0.95 -4.59 1.61 7.64 -1.26 -4.81 113.62 113.15 2e6p n SER 5 Ca 0.00 0.79 -0.44 0.00 1.01 0.00 0.00 58.87 60.23 2e6p n SER 5 Cb 0.00 -1.42 -0.03 0.00 -1.01 0.00 0.00 64.21 61.74 2e6p n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2e6p n SER 6 N -1.12 3.23 -0.68 6.43 3.41 -1.26 -4.14 113.62 119.50 2e6p n SER 6 Ca 0.14 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 2e6p n SER 6 Cb 0.48 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 2e6p n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e6p n GLY 7 N 5.72 -1.28 0.13 5.00 0.00 -1.26 -5.01 105.19 108.48 2e6p n GLY 7 Ca 0.30 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 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 0.32 -3.68 1.61 0.13 -1.84 -3.43 132.00 125.11 2e6p h PRO 8 Ca 0.00 -0.17 -0.51 0.00 -0.87 0.00 0.00 66.00 64.46 2e6p h PRO 8 Cb 0.00 0.01 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 2e6p h PRO 8 CO 0.00 0.71 -0.77 0.54 -0.23 0.00 0.00 178.00 178.25 2e6p s VAL 9 N -4.31 0.59 -0.02 1.56 0.11 -1.26 -4.83 120.40 112.24 2e6p s VAL 9 Ca -0.14 -0.42 0.04 0.00 -2.93 0.00 0.00 61.98 58.53 2e6p s VAL 9 Cb 0.05 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 33.90 2e6p s VAL 9 CO 0.74 -0.05 -0.13 -1.38 -3.33 0.00 0.00 175.10 170.96 2e6p s HIS 10 N 1.85 2.73 0.20 1.54 -3.43 -1.26 -3.92 115.29 113.00 2e6p s HIS 10 Ca 0.01 -0.14 -0.30 0.00 -0.80 0.00 0.00 55.06 53.83 2e6p s HIS 10 Cb -0.16 -1.59 -0.08 0.00 -1.43 0.00 0.00 32.58 29.32 2e6p s HIS 10 CO -0.07 0.26 0.95 0.42 -2.00 0.00 0.00 174.74 174.30 2e6p s ILE 11 N -0.85 4.19 -0.19 -5.38 1.01 -1.26 -2.23 121.20 116.48 2e6p s ILE 11 Ca 0.14 2.08 0.15 0.00 0.00 0.00 0.00 60.65 63.01 2e6p s ILE 11 Cb -0.11 -4.32 -0.24 0.00 0.01 0.00 0.00 42.46 37.80 2e6p s ILE 11 CO 0.04 0.45 0.09 0.18 0.00 0.00 0.00 174.94 175.69 2e6p n LEU 12 N 1.86 0.56 -3.58 2.97 4.77 -1.08 -4.99 117.00 117.51 2e6p n LEU 12 Ca -0.01 0.03 -0.16 0.00 -0.03 0.00 0.00 56.01 55.84 2e6p n LEU 12 Cb 0.48 0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 41.74 2e6p n LEU 12 CO 0.50 0.56 0.43 -0.44 -1.33 0.00 0.00 177.39 177.11 2e6p s SER 13 N -5.72 -0.71 1.06 -1.43 0.01 -1.25 -4.41 113.70 101.24 2e6p s SER 13 Ca -0.13 1.14 -0.14 0.00 1.31 0.00 0.00 55.95 58.13 2e6p s SER 13 Cb 0.07 1.08 0.22 0.00 0.21 0.00 0.00 66.02 67.60 2e6p s SER 13 CO 0.80 -0.40 1.10 -2.16 0.41 0.00 0.00 173.24 172.98 2e6p s PRO 14 N -0.27 -0.08 -0.01 12.44 0.04 -1.26 -0.53 135.00 145.33 2e6p s PRO 14 Ca -0.05 0.35 0.13 0.00 0.04 0.00 0.00 61.00 61.47 2e6p s PRO 14 Cb -0.03 -1.69 -0.21 0.00 0.04 0.00 0.00 34.50 32.61 2e6p s PRO 14 CO 0.05 -3.04 0.73 1.96 0.04 0.00 0.00 177.00 176.74 2e6p h GLN 15 N -2.11 0.00 -3.79 4.56 4.20 -1.95 -3.49 115.11 112.54 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 1.33 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.98 2e6p h GLN 15 CO 0.52 0.47 -0.26 -0.51 -0.67 0.00 0.00 178.83 178.38 2e6p s ASP 16 N -6.06 -0.01 -0.01 1.46 1.01 -1.26 -5.12 116.67 106.69 2e6p s ASP 16 Ca -0.04 -0.81 -0.39 0.00 0.71 0.00 0.00 52.55 52.02 2e6p s ASP 16 Cb 0.08 0.46 -0.19 0.00 1.01 0.00 0.00 42.92 44.29 2e6p s ASP 16 CO 0.82 -0.92 1.22 1.17 0.21 0.00 0.00 175.17 177.67 2e6p n LYS 17 N -0.24 0.45 -4.19 8.23 0.00 -1.26 -4.86 118.16 116.28 2e6p n LYS 17 Ca -0.08 0.16 -0.27 0.00 0.00 0.00 0.00 58.31 58.12 2e6p n LYS 17 Cb 0.63 -1.72 -0.08 0.00 0.00 0.00 0.00 35.03 33.86 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 0.46 3.75 -0.06 3.15 -7.23 -0.98 -5.01 120.40 114.49 2e6p s VAL 18 Ca 0.90 -1.35 0.06 0.00 -1.81 0.00 0.00 61.98 59.77 2e6p s VAL 18 Cb -1.16 -2.87 -0.01 0.00 0.56 0.00 0.00 36.38 32.89 2e6p s VAL 18 CO 0.55 -0.07 -0.23 -0.94 -0.31 0.00 0.00 175.10 174.10 2e6p s SER 19 N -2.83 3.25 0.06 4.85 1.04 -1.26 0.59 113.70 119.40 2e6p s SER 19 Ca 0.27 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.25 2e6p s SER 19 Cb -0.10 -0.83 -0.04 0.00 0.10 0.00 0.00 66.02 65.16 2e6p s SER 19 CO 0.18 0.26 -0.05 -0.76 0.98 0.00 0.00 173.24 173.86 2e6p s LEU 20 N -0.26 2.43 -0.05 2.42 1.43 0.27 -4.86 118.68 120.06 2e6p s LEU 20 Ca -0.00 -0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 52.19 2e6p s LEU 20 Cb -0.13 0.04 0.02 0.00 0.03 0.00 0.00 46.19 46.15 2e6p s LEU 20 CO 0.03 -0.46 0.13 -0.89 0.23 0.00 0.00 176.35 175.39 2e6p s THR 21 N -3.12 -0.01 0.34 5.49 2.01 -1.26 -2.07 115.64 117.01 2e6p s THR 21 Ca 0.03 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.12 2e6p s THR 21 Cb 0.02 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.31 2e6p s THR 21 CO -0.06 0.02 0.36 -0.36 -0.69 0.00 0.00 174.62 173.90 2e6p s PHE 22 N 0.38 1.50 -0.01 4.92 0.40 0.20 -4.90 117.98 120.46 2e6p s PHE 22 Ca -0.03 -1.53 0.06 0.00 -0.60 0.00 0.00 56.93 54.83 2e6p s PHE 22 Cb -0.04 -0.47 -0.03 0.00 0.51 0.00 0.00 43.02 43.00 2e6p s PHE 22 CO -0.02 -0.99 -0.17 0.99 0.70 0.00 0.00 175.22 175.73 2e6p s THR 23 N -3.25 2.81 0.26 0.64 2.01 -1.26 -0.38 115.64 116.47 2e6p s THR 23 Ca 0.37 -0.95 -0.28 0.00 0.31 0.00 0.00 61.69 61.13 2e6p s THR 23 Cb 0.01 -2.12 -0.15 0.00 0.01 0.00 0.00 72.50 70.26 2e6p s THR 23 CO 0.25 0.50 0.89 0.41 -0.69 0.00 0.00 174.62 175.98 2e6p n THR 24 N 2.04 1.94 -2.73 -0.82 -1.04 -0.50 -2.64 114.28 110.53 2e6p n THR 24 Ca -0.17 -0.48 -0.08 0.00 -2.04 0.00 0.00 64.05 61.28 2e6p n THR 24 Cb 0.52 -0.73 0.03 0.00 -1.82 0.00 0.00 70.33 68.33 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 1.46 -2.88 -4.06 8.00 2.88 -1.08 -4.81 113.62 113.12 2e6p n SER 25 Ca 0.12 -0.21 -0.19 0.00 -1.33 0.00 0.00 58.87 57.25 2e6p n SER 25 Cb 0.30 -2.18 -0.09 0.00 -0.75 0.00 0.00 64.21 61.49 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 -5.03 1.62 -0.26 -1.46 0.41 -1.08 -4.84 118.70 108.06 2e6p s GLU 26 Ca 0.12 -1.93 -0.12 0.00 -0.41 0.00 0.00 54.97 52.63 2e6p s GLU 26 Cb -0.05 -0.23 -0.05 0.00 -1.78 0.00 0.00 34.13 32.03 2e6p s GLU 26 CO 0.27 -0.42 0.25 0.50 -0.49 0.00 0.00 175.26 175.36 2e6p s ARG 27 N -3.83 4.01 -0.22 1.61 3.52 -1.26 -0.61 118.95 122.16 2e6p s ARG 27 Ca 0.34 -0.18 0.01 0.00 -0.13 0.00 0.00 55.73 55.77 2e6p s ARG 27 Cb 0.05 -3.63 0.03 0.00 -1.56 0.00 0.00 34.95 29.85 2e6p s ARG 27 CO 0.17 -0.14 -0.13 0.08 -0.81 0.00 0.00 175.30 174.46 2e6p s VAL 28 N 1.66 2.34 -0.16 7.11 1.01 -0.90 -4.95 120.40 126.51 2e6p s VAL 28 Ca 0.10 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.94 2e6p s VAL 28 Cb -0.15 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.11 2e6p s VAL 28 CO 0.09 0.29 -0.10 0.54 0.00 0.00 0.00 175.10 175.92 2e6p s VAL 29 N 1.25 1.44 0.43 2.92 0.11 -1.26 -0.77 120.40 124.53 2e6p s VAL 29 Ca -0.00 -0.71 -0.05 0.00 -2.93 0.00 0.00 61.98 58.29 2e6p s VAL 29 Cb -0.16 -1.46 0.10 0.00 -1.53 0.00 0.00 36.38 33.32 2e6p s VAL 29 CO -0.08 0.29 0.59 0.18 -3.33 0.00 0.00 175.10 172.75 2e6p n LEU 30 N 4.78 0.00 -3.66 2.54 4.77 -0.53 -4.93 117.00 119.98 2e6p n LEU 30 Ca -0.15 -0.82 -0.15 0.00 -0.03 0.00 0.00 56.01 54.87 2e6p n LEU 30 Cb 0.48 -0.43 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 2e6p n LEU 30 CO 0.19 -0.88 0.23 -0.89 -1.33 0.00 0.00 177.39 174.71 2e6p s THR 31 N -2.06 0.02 -0.02 -5.08 2.01 -1.26 -4.11 115.64 105.14 2e6p s THR 31 Ca 0.35 -0.14 -0.27 0.00 0.31 0.00 0.00 61.69 61.95 2e6p s THR 31 Cb -0.01 -0.78 0.06 0.00 0.01 0.00 0.00 72.50 71.78 2e6p s THR 31 CO 0.24 -0.07 0.60 0.00 -0.69 0.00 0.00 174.62 174.70 2e6p s GLU 33 N -1.58 1.05 0.30 0.00 2.12 0.31 -1.97 118.70 118.94 2e6p s GLU 33 Ca -0.10 -0.85 0.01 0.00 0.36 0.00 0.00 54.97 54.39 2e6p s GLU 33 Cb -0.01 -1.11 -0.00 0.00 0.26 0.00 0.00 34.13 33.27 2e6p s GLU 33 CO 0.06 0.27 0.04 1.28 -0.54 0.00 0.00 175.26 176.37 2e6p n LEU 34 N 1.78 0.00 -0.32 2.70 4.77 -0.07 -2.63 117.00 123.22 2e6p n LEU 34 Ca -0.18 -2.00 0.04 0.00 -0.03 0.00 0.00 56.01 53.84 2e6p n LEU 34 Cb 0.54 0.39 0.05 0.00 -2.33 0.00 0.00 43.42 42.07 2e6p n LEU 34 CO 0.23 -0.29 0.42 -1.54 -1.33 0.00 0.00 177.39 174.88 2e6p n SER 35 N -1.40 1.88 -3.90 -1.43 3.41 -0.95 -4.63 113.62 106.61 2e6p n SER 35 Ca -0.10 -1.49 -0.20 0.00 -0.26 0.00 0.00 58.87 56.82 2e6p n SER 35 Cb 0.40 -0.04 -0.16 0.00 -0.26 0.00 0.00 64.21 64.14 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 -0.71 0.86 0.33 4.33 0.52 -1.26 -4.90 118.95 118.11 2e6p s ARG 36 Ca 0.10 -0.12 -0.27 0.00 -0.52 0.00 0.00 55.73 54.93 2e6p s ARG 36 Cb 0.07 -0.85 -0.09 0.00 0.52 0.00 0.00 34.95 34.59 2e6p s ARG 36 CO 0.09 -0.08 1.01 0.08 0.02 0.00 0.00 175.30 176.43 2e6p s VAL 37 N 0.90 3.88 -1.36 3.52 1.01 -1.26 -3.66 120.40 123.43 2e6p s VAL 37 Ca -0.11 1.64 -0.06 0.00 0.00 0.00 0.00 61.98 63.45 2e6p s VAL 37 Cb -0.14 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.32 2e6p s VAL 37 CO 0.00 0.20 0.94 0.47 0.00 0.00 0.00 175.10 176.71 2e6p n ASP 38 N 0.63 -3.48 -4.87 3.32 8.00 -1.26 -4.85 116.55 114.04 2e6p n ASP 38 Ca 0.02 -0.71 -0.37 0.00 0.71 0.00 0.00 54.79 54.43 2e6p n ASP 38 Cb 0.48 -4.42 -0.06 0.00 -0.02 0.00 0.00 41.12 37.11 2e6p n ASP 38 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2e6p s PHE 39 N -3.43 3.63 0.39 1.24 5.36 -1.24 -5.08 117.98 118.84 2e6p s PHE 39 Ca 0.32 0.62 -0.26 0.00 -0.96 0.00 0.00 56.93 56.65 2e6p s PHE 39 Cb -0.15 -2.01 -0.09 0.00 -0.34 0.00 0.00 43.02 40.43 2e6p s PHE 39 CO 0.78 0.72 1.19 -1.25 -1.46 0.00 0.00 175.22 175.21 2e6p s PRO 40 N -1.03 4.10 0.04 10.12 0.04 -1.26 -5.05 135.00 141.95 2e6p s PRO 40 Ca 0.17 1.91 -0.28 0.00 0.04 0.00 0.00 61.00 62.84 2e6p s PRO 40 Cb -0.13 -2.74 0.07 0.00 0.04 0.00 0.00 34.50 31.74 2e6p s PRO 40 CO 0.06 -0.30 0.66 0.00 0.04 0.00 0.00 177.00 177.46 2e6p s ALA 41 N -1.36 -1.70 -0.03 8.56 0.00 -1.26 -4.52 121.76 121.44 2e6p s ALA 41 Ca 0.56 0.97 0.02 0.00 0.00 0.00 0.00 51.96 53.51 2e6p s ALA 41 Cb -0.32 0.36 0.01 0.00 0.00 0.00 0.00 23.12 23.17 2e6p s ALA 41 CO 0.41 -0.54 -0.07 0.99 0.00 0.00 0.00 175.76 176.55 2e6p s THR 42 N -2.30 0.62 0.14 0.00 2.01 -0.41 -4.97 115.64 110.73 2e6p s THR 42 Ca -0.05 -0.25 -0.17 0.00 0.31 0.00 0.00 61.69 61.53 2e6p s THR 42 Cb -0.00 -0.58 -0.07 0.00 0.01 0.00 0.00 72.50 71.85 2e6p s THR 42 CO -0.00 0.21 0.60 0.26 -0.69 0.00 0.00 174.62 175.00 2e6p s TRP 43 N 0.41 3.68 0.02 4.92 0.52 -1.26 0.43 118.94 127.67 2e6p s TRP 43 Ca -0.06 1.21 0.02 0.00 0.02 0.00 0.00 56.10 57.29 2e6p s TRP 43 Cb -0.10 -2.47 -0.02 0.00 -1.15 0.00 0.00 33.47 29.74 2e6p s TRP 43 CO 0.00 0.46 -0.07 0.71 0.02 0.00 0.00 176.95 178.08 2e6p s TYR 44 N -1.36 0.58 -0.08 -1.98 1.51 0.10 -2.65 117.35 113.47 2e6p s TYR 44 Ca 0.36 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 56.12 2e6p s TYR 44 Cb -0.17 -0.36 0.01 0.00 -0.11 0.00 0.00 41.96 41.34 2e6p s TYR 44 CO 0.20 -0.05 -0.14 0.21 -1.11 0.00 0.00 175.55 174.66 2e6p s LYS 45 N -0.95 1.92 -1.36 -0.62 2.20 0.10 -0.31 119.74 120.72 2e6p s LYS 45 Ca -0.05 -0.47 -0.01 0.00 -0.36 0.00 0.00 55.97 55.07 2e6p s LYS 45 Cb -0.07 -1.59 0.01 0.00 -1.51 0.00 0.00 37.83 34.67 2e6p s LYS 45 CO 0.00 0.01 0.10 -3.47 -0.36 0.00 0.00 175.35 171.63 2e6p n ASP 46 N 3.93 -4.75 -0.24 1.43 2.03 -0.81 -0.22 116.55 117.92 2e6p n ASP 46 Ca -0.21 0.03 -0.03 0.00 0.52 0.00 0.00 54.79 55.10 2e6p n ASP 46 Cb 0.52 -3.98 -0.01 0.00 -0.72 0.00 0.00 41.12 36.93 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 0.53 3.29 0.27 0.00 -1.26 -5.04 105.19 102.00 2e6p n GLY 47 Ca -0.16 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.62 1.14 0.00 1.61 -1.52 0.70 -5.12 119.66 113.86 2e6p s GLN 48 Ca 0.00 -1.24 -0.30 0.00 -1.95 0.00 0.00 55.36 51.87 2e6p s GLN 48 Cb 0.00 -1.27 -0.04 0.00 -0.22 0.00 0.00 33.01 31.48 2e6p s GLN 48 CO 0.00 0.28 1.17 0.21 -0.25 0.00 0.00 175.29 176.70 2e6p s LYS 49 N -2.29 4.41 0.78 2.91 2.20 -1.26 0.00 119.74 126.50 2e6p s LYS 49 Ca 0.09 1.69 -0.12 0.00 -0.36 0.00 0.00 55.97 57.27 2e6p s LYS 49 Cb -0.08 -3.45 0.06 0.00 -1.51 0.00 0.00 37.83 32.85 2e6p s LYS 49 CO 0.05 -0.31 1.14 0.14 -0.36 0.00 0.00 175.35 176.00 2e6p s VAL 50 N 1.54 2.60 -0.01 4.02 -7.23 -1.08 -4.87 120.40 115.37 2e6p s VAL 50 Ca 0.57 0.20 0.06 0.00 -1.81 0.00 0.00 61.98 61.00 2e6p s VAL 50 Cb -0.26 -3.15 -0.02 0.00 0.56 0.00 0.00 36.38 33.51 2e6p s VAL 50 CO 0.26 -0.26 -0.21 -1.61 -0.31 0.00 0.00 175.10 172.98 2e6p s GLU 51 N -5.44 1.67 -0.30 4.82 0.41 -1.26 -4.99 118.70 113.62 2e6p s GLU 51 Ca 0.61 -0.74 -0.22 0.00 -0.41 0.00 0.00 54.97 54.20 2e6p s GLU 51 Cb -0.12 -1.62 -0.00 0.00 -1.78 0.00 0.00 34.13 30.61 2e6p s GLU 51 CO 0.51 0.44 0.72 -1.21 -0.49 0.00 0.00 175.26 175.23 2e6p s GLU 52 N -0.50 3.96 0.20 1.61 2.02 -1.26 -4.65 118.70 120.08 2e6p s GLU 52 Ca 0.08 0.49 -0.06 0.00 0.02 0.00 0.00 54.97 55.50 2e6p s GLU 52 Cb -0.08 -3.72 0.02 0.00 0.10 0.00 0.00 34.13 30.45 2e6p s GLU 52 CO -0.01 -0.61 0.37 -1.13 0.02 0.00 0.00 175.26 173.90 2e6p n SER 53 N 6.04 -1.08 0.05 -0.19 3.41 -0.53 -4.96 113.62 116.36 2e6p n SER 53 Ca 0.02 -1.88 0.07 0.00 -0.26 0.00 0.00 58.87 56.81 2e6p n SER 53 Cb 0.48 1.84 0.50 0.00 -0.26 0.00 0.00 64.21 66.77 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 0.36 0.00 4.33 4.11 -2.02 0.24 114.58 121.60 2e6p h GLU 54 Ca -0.17 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.24 2e6p h GLU 54 Cb 0.65 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2e6p h GLU 54 CO 0.22 0.24 -0.18 -0.07 0.07 0.00 0.00 179.01 179.28 2e6p h LEU 55 N 0.37 0.00 -7.24 3.06 3.38 -1.95 -3.43 115.31 109.50 2e6p h LEU 55 Ca 0.14 -0.06 -0.54 0.00 0.09 0.00 0.00 57.88 57.51 2e6p h LEU 55 Cb 0.10 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.45 2e6p h LEU 55 CO -0.03 0.03 -0.76 -0.22 0.09 0.00 0.00 178.44 177.54 2e6p s LEU 56 N -4.57 1.56 -0.18 1.67 0.20 0.07 -4.25 118.68 113.17 2e6p s LEU 56 Ca 0.09 -1.11 -0.07 0.00 0.69 0.00 0.00 54.13 53.73 2e6p s LEU 56 Cb 0.12 -0.71 -0.04 0.00 -0.43 0.00 0.00 46.19 45.14 2e6p s LEU 56 CO 0.64 -0.34 0.04 -0.69 -0.29 0.00 0.00 176.35 175.71 2e6p s VAL 57 N 1.77 4.53 -0.33 1.68 1.01 -0.73 -1.45 120.40 126.88 2e6p s VAL 57 Ca 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 2e6p s VAL 57 Cb -0.17 -3.04 0.07 0.00 0.00 0.00 0.00 36.38 33.24 2e6p s VAL 57 CO -0.14 0.45 0.05 -0.69 0.00 0.00 0.00 175.10 174.76 2e6p s VAL 58 N 0.51 2.88 -0.18 2.92 1.01 -1.26 -0.17 120.40 126.12 2e6p s VAL 58 Ca 0.02 -1.71 -0.10 0.00 0.00 0.00 0.00 61.98 60.19 2e6p s VAL 58 Cb -0.13 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 2e6p s VAL 58 CO 0.01 -0.31 0.16 -0.54 0.00 0.00 0.00 175.10 174.43 2e6p s LYS 59 N 1.16 4.09 0.36 2.72 -0.14 -0.76 -5.02 119.74 122.15 2e6p s LYS 59 Ca -0.00 -0.14 0.08 0.00 -1.36 0.00 0.00 55.97 54.55 2e6p s LYS 59 Cb -0.20 -3.38 -0.05 0.00 -1.68 0.00 0.00 37.83 32.51 2e6p s LYS 59 CO -0.03 0.37 0.13 1.41 -0.76 0.00 0.00 175.35 176.46 2e6p s MET 60 N 0.15 2.26 -0.05 1.68 -2.45 -1.26 -1.81 119.30 117.82 2e6p s MET 60 Ca 0.11 -1.68 -0.31 0.00 -1.25 0.00 0.00 55.69 52.56 2e6p s MET 60 Cb -0.12 -2.07 0.12 0.00 1.25 0.00 0.00 34.83 34.02 2e6p s MET 60 CO 0.00 0.05 1.23 0.34 1.05 0.00 0.00 175.02 177.70 2e6p s ASP 61 N -3.84 -0.09 -0.46 1.11 -1.08 0.16 -4.94 116.67 107.54 2e6p s ASP 61 Ca 0.38 -0.12 -0.39 0.00 -0.52 0.00 0.00 52.55 51.90 2e6p s ASP 61 Cb -0.00 0.19 -0.15 0.00 -1.46 0.00 0.00 42.92 41.49 2e6p s ASP 61 CO 0.22 -0.33 2.20 0.61 0.52 0.00 0.00 175.17 178.38 2e6p n GLY 62 N -0.38 0.13 3.10 2.66 0.00 -1.26 -0.12 105.19 109.32 2e6p n GLY 62 Ca -0.06 1.03 -0.16 0.00 0.00 0.00 0.00 46.02 46.82 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 7.90 -2.60 -3.64 1.61 1.74 -1.24 -4.89 116.66 115.53 2e6p n ARG 63 Ca 0.49 0.26 -0.12 0.00 -0.77 0.00 0.00 57.85 57.71 2e6p n ARG 63 Cb 0.10 -4.85 -0.12 0.00 -1.02 0.00 0.00 32.46 26.56 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 -5.70 0.20 -0.00 5.56 1.02 0.83 -0.89 119.74 120.77 2e6p s LYS 64 Ca 0.26 0.79 0.02 0.00 0.02 0.00 0.00 55.97 57.07 2e6p s LYS 64 Cb -0.15 -0.01 -0.01 0.00 -0.52 0.00 0.00 37.83 37.15 2e6p s LYS 64 CO 0.33 -0.31 -0.08 -1.01 -0.92 0.00 0.00 175.35 173.36 2e6p s HIS 65 N 2.47 0.68 -0.02 3.18 3.76 -0.83 0.40 115.29 124.93 2e6p s HIS 65 Ca 0.01 -0.15 -0.13 0.00 -0.15 0.00 0.00 55.06 54.64 2e6p s HIS 65 Cb -0.12 -0.43 0.02 0.00 1.11 0.00 0.00 32.58 33.15 2e6p s HIS 65 CO -0.10 -0.01 0.27 -0.98 -0.85 0.00 0.00 174.74 173.07 2e6p s ARG 66 N -0.27 0.61 -0.23 1.40 1.70 -0.75 -1.18 118.95 120.22 2e6p s ARG 66 Ca 0.02 -0.21 -0.05 0.00 -0.47 0.00 0.00 55.73 55.02 2e6p s ARG 66 Cb -0.03 0.27 -0.02 0.00 -0.57 0.00 0.00 34.95 34.60 2e6p s ARG 66 CO -0.00 -0.16 0.01 -1.17 -1.08 0.00 0.00 175.30 172.90 2e6p s LEU 67 N -1.26 3.15 0.12 -1.89 0.20 -1.26 -1.83 118.68 115.91 2e6p s LEU 67 Ca -0.13 -0.32 -0.01 0.00 0.69 0.00 0.00 54.13 54.37 2e6p s LEU 67 Cb -0.06 -1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.84 2e6p s LEU 67 CO 0.03 -0.03 0.29 -0.63 -0.29 0.00 0.00 176.35 175.73 2e6p s ILE 68 N 1.54 5.30 -0.06 6.68 1.01 0.76 -1.45 121.20 134.98 2e6p s ILE 68 Ca 0.06 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 2e6p s ILE 68 Cb -0.15 -3.67 0.04 0.00 0.01 0.00 0.00 42.46 38.69 2e6p s ILE 68 CO -0.00 0.01 0.09 -0.76 0.00 0.00 0.00 174.94 174.28 2e6p s LEU 69 N -2.84 0.10 0.18 2.97 1.43 0.05 -1.78 118.68 118.79 2e6p s LEU 69 Ca 0.37 0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 53.49 2e6p s LEU 69 Cb -0.12 -0.05 0.08 0.00 0.03 0.00 0.00 46.19 46.13 2e6p s LEU 69 CO 0.28 -0.26 1.53 1.55 0.23 0.00 0.00 176.35 179.68 2e6p h PRO 70 N 8.42 0.75 -3.36 1.29 0.13 -1.83 -2.38 132.00 135.02 2e6p h PRO 70 Ca -0.12 -0.40 -0.54 0.00 -0.87 0.00 0.00 66.00 64.07 2e6p h PRO 70 Cb 1.12 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.86 2e6p h PRO 70 CO 0.16 1.02 -0.76 -2.00 -0.23 0.00 0.00 178.00 176.18 2e6p s GLU 71 N -4.31 0.55 -0.95 0.86 2.12 -1.25 -4.32 118.70 111.41 2e6p s GLU 71 Ca -0.09 -0.69 -0.24 0.00 0.36 0.00 0.00 54.97 54.31 2e6p s GLU 71 Cb 0.12 -1.84 0.00 0.00 0.26 0.00 0.00 34.13 32.67 2e6p s GLU 71 CO 0.85 -0.86 1.69 0.00 -0.54 0.00 0.00 175.26 176.40 2e6p s ALA 72 N 1.83 2.20 0.55 6.30 0.00 0.21 -4.86 121.76 128.00 2e6p s ALA 72 Ca 0.06 -1.86 -0.14 0.00 0.00 0.00 0.00 51.96 50.02 2e6p s ALA 72 Cb -0.17 -4.53 -0.06 0.00 0.00 0.00 0.00 23.12 18.36 2e6p s ALA 72 CO -0.21 -4.19 0.99 0.15 0.00 0.00 0.00 175.76 172.50 2e6p s LYS 73 N 6.00 3.79 0.66 0.00 1.02 -1.26 -2.64 119.74 127.31 2e6p s LYS 73 Ca 0.58 0.84 0.40 0.00 0.02 0.00 0.00 55.97 57.81 2e6p s LYS 73 Cb -0.04 -2.12 2.22 0.00 -0.52 0.00 0.00 37.83 37.37 2e6p s LYS 73 CO -0.05 -0.39 2.27 0.28 -0.92 0.00 0.00 175.35 176.55 2e6p h VAL 74 N 0.39 0.06 0.00 3.17 2.07 -1.94 0.83 116.25 120.84 2e6p h VAL 74 Ca -0.46 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 66.93 2e6p h VAL 74 Cb 1.19 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 2e6p h VAL 74 CO 0.62 0.00 -0.67 1.56 0.02 0.00 0.00 177.57 179.10 2e6p h GLN 75 N 0.00 0.00 0.00 1.57 4.20 -1.93 -3.15 115.11 115.80 2e6p h GLN 75 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2e6p h GLN 75 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2e6p h GLN 75 CO -0.00 0.63 0.00 -0.25 -0.67 0.00 0.00 178.83 178.54 2e6p n ASP 76 N -3.25 0.36 -4.71 1.46 9.92 0.28 -4.81 116.55 115.80 2e6p n ASP 76 Ca 0.01 0.54 -0.42 0.00 -0.53 0.00 0.00 54.79 54.39 2e6p n ASP 76 Cb 0.80 -0.64 -0.03 0.00 -0.64 0.00 0.00 41.12 40.61 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 -3.68 6.84 0.00 -2.24 1.04 -1.16 -4.86 113.70 109.64 2e6p s SER 77 Ca 0.12 2.28 0.00 0.00 0.48 0.00 0.00 55.95 58.83 2e6p s SER 77 Cb 0.15 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.69 2e6p s SER 77 CO 0.54 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.71 2e6p n GLY 78 N 3.51 -0.52 3.49 7.32 0.00 0.15 -4.95 105.19 114.19 2e6p n GLY 78 Ca 0.12 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.75 3.47 0.06 1.61 2.12 -1.26 0.03 118.70 122.98 2e6p s GLU 79 Ca 0.00 -0.55 0.03 0.00 0.36 0.00 0.00 54.97 54.81 2e6p s GLU 79 Cb 0.00 -2.81 -0.04 0.00 0.26 0.00 0.00 34.13 31.54 2e6p s GLU 79 CO 0.00 0.31 0.02 -0.06 -0.54 0.00 0.00 175.26 174.98 2e6p s PHE 80 N 0.16 3.06 -0.03 5.30 0.40 0.06 -1.92 117.98 125.01 2e6p s PHE 80 Ca -0.03 0.03 -0.02 0.00 -0.60 0.00 0.00 56.93 56.31 2e6p s PHE 80 Cb -0.14 -1.60 0.02 0.00 0.51 0.00 0.00 43.02 41.81 2e6p s PHE 80 CO 0.03 0.48 0.08 -2.00 0.70 0.00 0.00 175.22 174.51 2e6p s GLU 81 N -2.06 0.06 -0.80 0.44 2.12 0.58 -0.60 118.70 118.43 2e6p s GLU 81 Ca 0.24 0.19 -0.14 0.00 0.36 0.00 0.00 54.97 55.62 2e6p s GLU 81 Cb -0.12 -0.08 0.21 0.00 0.26 0.00 0.00 34.13 34.40 2e6p s GLU 81 CO 0.16 -0.08 0.75 0.00 -0.54 0.00 0.00 175.26 175.55 2e6p s ARG 83 N 0.35 4.17 0.15 0.00 3.52 0.17 -3.97 118.95 123.34 2e6p s ARG 83 Ca 0.17 2.28 0.01 0.00 -0.13 0.00 0.00 55.73 58.05 2e6p s ARG 83 Cb -0.12 -4.03 -0.04 0.00 -1.56 0.00 0.00 34.95 29.20 2e6p s ARG 83 CO -0.08 -0.88 0.01 -0.08 -0.81 0.00 0.00 175.30 173.47 2e6p s THR 84 N 4.15 0.49 -1.28 4.11 -1.32 -1.18 -1.29 115.64 119.32 2e6p s THR 84 Ca 0.77 -1.95 -0.09 0.00 -1.21 0.00 0.00 61.69 59.21 2e6p s THR 84 Cb -0.35 -2.05 -0.07 0.00 -1.51 0.00 0.00 72.50 68.52 2e6p s THR 84 CO 0.32 -0.52 2.53 -0.62 -2.21 0.00 0.00 174.62 174.12 2e6p n GLU 85 N -0.17 2.89 0.00 7.08 1.02 -1.26 -3.85 120.64 126.35 2e6p n GLU 85 Ca -0.07 -1.88 0.00 0.00 -0.02 0.00 0.00 57.16 55.19 2e6p n GLU 85 Cb 0.63 -2.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 2e6p n GLU 85 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2e6p n GLY 86 N 3.71 -1.82 3.29 0.62 0.00 -1.26 -4.09 105.19 105.64 2e6p n GLY 86 Ca 0.62 0.62 -0.20 0.00 0.00 0.00 0.00 46.02 47.06 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 0.00 0.01 0.01 1.61 -7.23 -1.25 -5.01 120.40 108.54 2e6p s VAL 87 Ca 0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 2e6p s VAL 87 Cb 0.00 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.44 2e6p s VAL 87 CO 0.00 0.00 -0.06 -0.44 -0.31 0.00 0.00 175.10 174.29 2e6p s SER 88 N -3.38 0.68 0.43 4.85 0.01 -1.26 -3.10 113.70 111.93 2e6p s SER 88 Ca 0.40 -0.19 0.08 0.00 1.31 0.00 0.00 55.95 57.55 2e6p s SER 88 Cb 0.02 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.20 2e6p s SER 88 CO 0.27 0.01 0.43 0.00 0.41 0.00 0.00 173.24 174.37 2e6p s ALA 89 N -0.38 4.20 -0.05 1.44 0.00 -1.25 -4.93 121.76 120.78 2e6p s ALA 89 Ca -0.00 -1.83 -0.02 0.00 0.00 0.00 0.00 51.96 50.11 2e6p s ALA 89 Cb -0.04 -1.14 0.04 0.00 0.00 0.00 0.00 23.12 21.98 2e6p s ALA 89 CO -0.00 -0.27 0.10 -0.06 0.00 0.00 0.00 175.76 175.53 2e6p s PHE 90 N -2.47 -0.08 -0.15 0.00 0.40 -1.25 -3.60 117.98 110.82 2e6p s PHE 90 Ca 0.49 0.36 -0.00 0.00 -0.60 0.00 0.00 56.93 57.18 2e6p s PHE 90 Cb -0.05 -0.19 0.04 0.00 0.51 0.00 0.00 43.02 43.33 2e6p s PHE 90 CO 0.29 -0.15 -0.06 -0.06 0.70 0.00 0.00 175.22 175.93 2e6p s PHE 91 N 1.35 1.65 -0.12 0.36 0.08 0.23 -2.32 117.98 119.20 2e6p s PHE 91 Ca -0.07 -0.98 -0.26 0.00 0.12 0.00 0.00 56.93 55.74 2e6p s PHE 91 Cb -0.12 -1.30 -0.02 0.00 -0.57 0.00 0.00 43.02 41.01 2e6p s PHE 91 CO -0.05 -0.59 0.83 0.20 -0.10 0.00 0.00 175.22 175.51 2e6p s GLY 92 N 1.65 2.33 -0.09 4.36 0.00 0.20 -0.76 107.32 115.01 2e6p s GLY 92 Ca 0.02 0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.88 2e6p s GLY 92 CO -0.08 1.57 -0.09 0.14 0.00 0.00 0.00 173.10 174.64 2e6p s VAL 93 N 1.70 1.06 -0.32 1.40 1.01 0.10 0.96 120.40 126.31 2e6p s VAL 93 Ca 0.40 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.03 2e6p s VAL 93 Cb -0.17 -1.03 0.10 0.00 0.00 0.00 0.00 36.38 35.27 2e6p s VAL 93 CO 0.16 0.36 0.07 -0.89 0.00 0.00 0.00 175.10 174.80 2e6p s THR 94 N 1.27 1.53 -0.68 3.92 2.01 -0.88 0.31 115.64 123.11 2e6p s THR 94 Ca -0.03 -1.82 -0.22 0.00 0.31 0.00 0.00 61.69 59.92 2e6p s THR 94 Cb -0.14 -2.13 0.08 0.00 0.01 0.00 0.00 72.50 70.32 2e6p s THR 94 CO -0.03 -0.63 0.97 -0.69 -0.69 0.00 0.00 174.62 173.55 2e6p s VAL 95 N 1.29 4.39 -0.13 3.82 1.01 -1.26 -0.63 120.40 128.89 2e6p s VAL 95 Ca 0.10 -0.53 -0.19 0.00 0.00 0.00 0.00 61.98 61.36 2e6p s VAL 95 Cb -0.18 -4.68 -0.04 0.00 0.00 0.00 0.00 36.38 31.48 2e6p s VAL 95 CO -0.17 -1.45 0.52 0.00 0.00 0.00 0.00 175.10 174.00 2e6p s GLN 96 N 3.84 4.32 0.12 2.72 -2.07 0.49 -4.60 119.66 124.48 2e6p s GLN 96 Ca 0.23 0.50 -0.30 0.00 -1.82 0.00 0.00 55.36 53.97 2e6p s GLN 96 Cb -0.16 -3.47 -0.06 0.00 -1.09 0.00 0.00 33.01 28.23 2e6p s GLN 96 CO 0.08 0.07 1.11 0.16 -1.32 0.00 0.00 175.29 175.39 2e6p s ASP 97 N 0.78 7.23 -0.87 12.60 1.47 -1.26 -1.41 116.67 135.20 2e6p s ASP 97 Ca 0.27 2.01 -0.25 0.00 1.18 0.00 0.00 52.55 55.76 2e6p s ASP 97 Cb -0.15 -2.59 -0.04 0.00 -0.34 0.00 0.00 42.92 39.79 2e6p s ASP 97 CO 0.11 -0.29 1.93 -2.16 0.68 0.00 0.00 175.17 175.44 2e6p s PRO 98 N 0.22 2.57 0.50 2.11 0.04 -1.26 -4.92 135.00 134.26 2e6p s PRO 98 Ca 0.52 -0.20 -0.20 0.00 0.04 0.00 0.00 61.00 61.17 2e6p s PRO 98 Cb -0.28 -4.99 -0.11 0.00 0.04 0.00 0.00 34.50 29.15 2e6p s PRO 98 CO 0.32 -3.30 0.40 0.43 0.04 0.00 0.00 177.00 174.89 2e6p n SER 99 N 13.81 -1.52 0.00 6.66 7.64 -1.26 -4.97 113.62 133.98 2e6p n SER 99 Ca 0.38 0.78 0.00 0.00 1.01 0.00 0.00 58.87 61.04 2e6p n SER 99 Cb 0.47 -1.09 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 0.61 -3.01 0.00 0.00 175.04 172.64 2e6p n GLY 100 N 1.93 0.44 3.59 0.23 0.00 -1.26 -5.11 105.19 105.01 2e6p n GLY 100 Ca 0.11 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 2e6p n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e6p s PRO 101 N -2.00 3.23 0.26 1.61 0.04 -1.26 -4.96 135.00 131.92 2e6p s PRO 101 Ca 0.00 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 61.89 2e6p s PRO 101 Cb 0.00 -4.20 -0.10 0.00 0.04 0.00 0.00 34.50 30.23 2e6p s PRO 101 CO 0.00 -1.98 1.46 0.45 0.04 0.00 0.00 177.00 176.97 2e6p s SER 102 N 6.07 6.61 0.54 6.66 0.15 -1.26 -5.02 113.70 127.44 2e6p s SER 102 Ca 0.73 2.72 0.09 0.00 0.70 0.00 0.00 55.95 60.19 2e6p s SER 102 Cb -0.19 -2.63 0.06 0.00 -1.71 0.00 0.00 66.02 61.56 2e6p s SER 102 CO 0.31 -0.73 0.68 -0.44 1.20 0.00 0.00 173.24 174.25 2e6p s SER 103 N 0.34 5.13 0.00 5.45 0.01 -1.26 -5.35 113.70 118.02 2e6p s SER 103 Ca 0.59 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2e6p s SER 103 Cb -0.43 0.11 0.00 0.00 0.21 0.00 0.00 66.02 65.91 2e6p s SER 103 CO 0.45 -1.17 0.00 0.61 0.41 0.00 0.00 173.24 173.54