#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h0p h GLU 2 N 0.00 -0.20 0.00 0.03 9.09 -2.04 -3.42 114.58 118.04 2h0p h GLU 2 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.42 2h0p h GLU 2 Cb 0.00 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 2h0p h GLU 2 CO 0.00 -0.13 -0.22 1.63 0.05 0.00 0.00 179.01 180.34 2h0p n LYS 3 N -5.33 0.59 -2.17 1.06 5.02 -1.26 -4.88 118.16 111.20 2h0p n LYS 3 Ca -0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.98 2h0p n LYS 3 Cb 0.31 -0.61 -0.05 0.00 -0.02 0.00 0.00 35.03 34.66 2h0p n LYS 3 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2h0p s LEU 4 N -2.24 3.22 0.09 -0.35 1.43 -1.26 -4.84 118.68 114.73 2h0p s LEU 4 Ca 0.00 -1.35 -0.26 0.00 -1.03 0.00 0.00 54.13 51.48 2h0p s LEU 4 Cb 0.00 -2.58 0.08 0.00 0.03 0.00 0.00 46.19 43.72 2h0p s LEU 4 CO 0.00 -2.59 0.91 0.00 0.23 0.00 0.00 176.35 174.90 2h0p s ARG 5 N 6.28 1.05 -1.13 1.70 1.70 -1.26 -0.78 118.95 126.50 2h0p s ARG 5 Ca 0.65 -0.50 -0.22 0.00 -0.47 0.00 0.00 55.73 55.19 2h0p s ARG 5 Cb -0.02 0.40 -0.00 0.00 -0.57 0.00 0.00 34.95 34.76 2h0p s ARG 5 CO 0.05 -0.47 1.78 -1.50 -1.08 0.00 0.00 175.30 174.08 2h0p s ILE 6 N -3.24 3.78 0.34 4.99 1.10 -1.26 -4.83 121.20 122.07 2h0p s ILE 6 Ca 0.09 -1.09 0.05 0.00 -0.51 0.00 0.00 60.65 59.19 2h0p s ILE 6 Cb -0.01 -4.76 0.16 0.00 0.15 0.00 0.00 42.46 38.00 2h0p s ILE 6 CO -0.03 -1.49 1.88 0.11 -2.11 0.00 0.00 174.94 173.29 2h0p h LYS 7 N 9.38 0.49 -0.62 3.50 1.57 -1.92 0.16 116.57 129.13 2h0p h LYS 7 Ca 0.26 -0.11 0.09 0.00 -1.87 0.00 0.00 60.65 59.03 2h0p h LYS 7 Cb 0.94 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.15 2h0p h LYS 7 CO 1.34 0.53 0.41 0.78 -0.57 0.00 0.00 179.45 181.94 2h0p h GLY 8 N 0.82 0.64 0.00 3.86 0.00 -1.88 -2.92 103.07 103.59 2h0p h GLY 8 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2h0p h GLY 8 CO 0.01 0.12 -0.24 -0.13 0.00 0.00 0.00 176.54 176.30 2h0p n MET 9 N -4.47 0.18 0.00 4.80 0.00 -1.05 -4.72 117.12 111.85 2h0p n MET 9 Ca 0.10 0.29 0.02 0.00 -0.00 0.00 0.00 57.70 58.10 2h0p n MET 9 Cb 0.35 -1.05 0.10 0.00 0.00 0.00 0.00 33.22 32.63 2h0p n MET 9 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2h0p n SER 10 N -3.18 0.00 -4.71 6.12 3.41 0.53 -4.66 113.62 111.14 2h0p n SER 10 Ca -0.03 -1.21 -0.25 0.00 -0.26 0.00 0.00 58.87 57.11 2h0p n SER 10 Cb 0.13 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.01 2h0p n SER 10 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2h0p s TYR 11 N -2.00 2.91 -0.36 7.33 2.02 -1.10 -4.95 117.35 121.20 2h0p s TYR 11 Ca 0.05 -0.13 0.02 0.00 -0.37 0.00 0.00 57.07 56.64 2h0p s TYR 11 Cb 0.02 -1.37 0.15 0.00 -0.40 0.00 0.00 41.96 40.36 2h0p s TYR 11 CO 0.04 0.54 0.31 0.95 -1.57 0.00 0.00 175.55 175.82 2h0p s THR 12 N -1.91 -0.18 0.00 -0.71 -4.23 -1.26 -4.91 115.64 102.44 2h0p s THR 12 Ca 0.30 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 2h0p s THR 12 Cb -0.09 -0.84 0.00 0.00 1.34 0.00 0.00 72.50 72.91 2h0p s THR 12 CO 0.21 -0.71 0.00 0.23 -0.54 0.00 0.00 174.62 173.81 2h0p n MET 13 N 4.30 0.00 -2.42 3.99 2.00 -1.26 -5.02 117.12 118.71 2h0p n MET 13 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.38 2h0p n MET 13 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.62 2h0p n MET 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2h0p n SER 15 N 9.36 0.00 -4.87 0.00 3.41 -1.26 -4.38 113.62 115.88 2h0p n SER 15 Ca 0.12 -0.23 -0.28 0.00 -0.26 0.00 0.00 58.87 58.22 2h0p n SER 15 Cb 0.49 -0.18 0.09 0.00 -0.26 0.00 0.00 64.21 64.35 2h0p n SER 15 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2h0p s GLY 16 N -2.35 1.64 0.73 5.00 0.00 -1.26 -4.55 107.32 106.52 2h0p s GLY 16 Ca 0.22 -0.79 -0.11 0.00 0.00 0.00 0.00 44.72 44.05 2h0p s GLY 16 CO 0.27 -0.31 1.07 1.25 0.00 0.00 0.00 173.10 175.37 2h0p s LYS 17 N -5.47 2.64 0.36 2.90 2.20 -1.26 -4.61 119.74 116.49 2h0p s LYS 17 Ca 0.62 0.97 0.03 0.00 -0.36 0.00 0.00 55.97 57.23 2h0p s LYS 17 Cb -0.10 -1.96 -0.04 0.00 -1.51 0.00 0.00 37.83 34.22 2h0p s LYS 17 CO 0.48 -1.31 0.12 -0.06 -0.36 0.00 0.00 175.35 174.22 2h0p s PHE 18 N -3.02 1.77 0.03 4.03 0.40 -1.26 -0.50 117.98 119.42 2h0p s PHE 18 Ca 0.59 -1.23 0.06 0.00 -0.60 0.00 0.00 56.93 55.75 2h0p s PHE 18 Cb -0.15 -1.09 -0.03 0.00 0.51 0.00 0.00 43.02 42.25 2h0p s PHE 18 CO 0.55 -0.29 -0.15 -1.54 0.70 0.00 0.00 175.22 174.49 2h0p s SER 19 N -3.51 4.02 -0.87 1.36 1.04 0.07 -4.78 113.70 111.03 2h0p s SER 19 Ca 0.30 -0.34 -0.25 0.00 0.48 0.00 0.00 55.95 56.14 2h0p s SER 19 Cb 0.05 -0.74 0.01 0.00 0.10 0.00 0.00 66.02 65.43 2h0p s SER 19 CO 0.16 0.27 1.62 -0.51 0.98 0.00 0.00 173.24 175.75 2h0p s ILE 20 N -0.93 3.66 -0.42 -1.02 1.10 -1.26 -2.52 121.20 119.80 2h0p s ILE 20 Ca 0.15 -0.27 0.22 0.00 -0.51 0.00 0.00 60.65 60.25 2h0p s ILE 20 Cb -0.11 -4.57 -0.19 0.00 0.15 0.00 0.00 42.46 37.74 2h0p s ILE 20 CO 0.06 -1.49 0.82 -0.67 -2.11 0.00 0.00 174.94 171.55 2h0p n ASP 21 N 10.99 0.49 -3.80 4.50 2.03 0.41 -4.68 116.55 126.50 2h0p n ASP 21 Ca 0.27 -0.18 -0.13 0.00 0.52 0.00 0.00 54.79 55.27 2h0p n ASP 21 Cb 0.50 1.19 -0.12 0.00 -0.72 0.00 0.00 41.12 41.97 2h0p n ASP 21 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2h0p s LYS 22 N -3.30 0.24 0.99 -0.67 2.20 -0.52 -4.98 119.74 113.70 2h0p s LYS 22 Ca -0.00 0.30 -0.15 0.00 -0.36 0.00 0.00 55.97 55.75 2h0p s LYS 22 Cb 0.14 0.10 -0.00 0.00 -1.51 0.00 0.00 37.83 36.56 2h0p s LYS 22 CO 0.85 -0.04 -0.02 -0.85 -0.36 0.00 0.00 175.35 174.93 2h0p n GLU 23 N 3.04 -0.42 -2.19 4.03 -0.00 -1.26 -2.93 120.64 120.90 2h0p n GLU 23 Ca -0.13 -0.10 -0.42 0.00 -0.00 0.00 0.00 57.16 56.51 2h0p n GLU 23 Cb 0.58 -1.61 -0.03 0.00 -0.00 0.00 0.00 31.44 30.39 2h0p n GLU 23 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.13 175.49 2h0p s MET 24 N -3.18 4.30 -0.11 3.44 -1.94 -1.26 -4.63 119.30 115.92 2h0p s MET 24 Ca 0.52 2.02 0.01 0.00 -1.71 0.00 0.00 55.69 56.53 2h0p s MET 24 Cb -0.17 -3.43 0.02 0.00 2.01 0.00 0.00 34.83 33.25 2h0p s MET 24 CO 0.70 -0.51 -0.13 0.00 -0.01 0.00 0.00 175.02 175.08 2h0p s ALA 25 N 1.81 1.59 0.53 3.03 0.00 -1.19 -4.88 121.76 122.65 2h0p s ALA 25 Ca 0.64 -0.69 -0.16 0.00 0.00 0.00 0.00 51.96 51.76 2h0p s ALA 25 Cb -0.34 -0.87 -0.07 0.00 0.00 0.00 0.00 23.12 21.84 2h0p s ALA 25 CO 0.29 -0.21 0.99 -2.00 0.00 0.00 0.00 175.76 174.83 2h0p s GLU 26 N 1.24 3.90 0.43 0.00 2.12 -1.26 -0.95 118.70 124.17 2h0p s GLU 26 Ca -0.02 0.93 0.08 0.00 0.36 0.00 0.00 54.97 56.32 2h0p s GLU 26 Cb -0.14 -2.13 -0.01 0.00 0.26 0.00 0.00 34.13 32.12 2h0p s GLU 26 CO -0.05 -0.32 0.44 0.95 -0.54 0.00 0.00 175.26 175.75 2h0p s THR 27 N -2.69 2.66 0.37 -1.70 -4.23 0.58 -4.95 115.64 105.68 2h0p s THR 27 Ca 0.58 -1.26 0.20 0.00 -1.18 0.00 0.00 61.69 60.03 2h0p s THR 27 Cb -0.10 -2.92 0.20 0.00 1.34 0.00 0.00 72.50 71.02 2h0p s THR 27 CO 0.34 0.00 1.94 0.06 -0.54 0.00 0.00 174.62 176.42 2h0p h GLN 28 N 0.89 0.00 0.00 3.99 -0.00 -1.99 -1.34 115.11 116.66 2h0p h GLN 28 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.25 2h0p h GLN 28 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 2h0p h GLN 28 CO 0.54 0.23 0.00 1.58 -0.00 0.00 0.00 178.83 181.18 2h0p n HIS 29 N -3.87 0.00 -0.88 0.06 -0.00 -1.26 -4.90 115.22 104.37 2h0p n HIS 29 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 2h0p n HIS 29 Cb 0.32 -0.49 0.00 0.00 -0.00 0.00 0.00 29.99 29.83 2h0p n HIS 29 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2h0p n GLY 30 N -0.51 0.67 3.73 1.57 0.00 -0.51 -5.03 105.19 105.11 2h0p n GLY 30 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2h0p n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2h0p s THR 31 N -2.95 2.59 0.09 2.61 -4.23 -1.26 -4.76 115.64 107.73 2h0p s THR 31 Ca 0.00 0.19 0.09 0.00 -1.18 0.00 0.00 61.69 60.79 2h0p s THR 31 Cb 0.00 -2.75 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 2h0p s THR 31 CO 0.00 -0.25 -0.23 0.28 -0.54 0.00 0.00 174.62 173.87 2h0p s THR 32 N -3.01 1.92 -0.29 3.99 -1.32 0.77 -0.31 115.64 117.39 2h0p s THR 32 Ca 0.63 -1.50 -0.04 0.00 -1.21 0.00 0.00 61.69 59.57 2h0p s THR 32 Cb -0.17 -1.70 0.03 0.00 -1.51 0.00 0.00 72.50 69.15 2h0p s THR 32 CO 0.56 0.11 0.02 -0.69 -2.21 0.00 0.00 174.62 172.41 2h0p s VAL 33 N -1.00 3.41 -0.27 5.08 1.01 -0.13 -0.64 120.40 127.87 2h0p s VAL 33 Ca 0.10 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 2h0p s VAL 33 Cb -0.10 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.48 2h0p s VAL 33 CO 0.04 0.06 0.03 -0.69 0.00 0.00 0.00 175.10 174.53 2h0p s VAL 34 N 1.39 3.63 -0.50 2.92 1.01 -0.03 -3.20 120.40 125.61 2h0p s VAL 34 Ca -0.00 -0.71 -0.18 0.00 0.00 0.00 0.00 61.98 61.09 2h0p s VAL 34 Cb -0.18 -2.82 0.07 0.00 0.00 0.00 0.00 36.38 33.45 2h0p s VAL 34 CO -0.00 0.18 0.56 -0.75 0.00 0.00 0.00 175.10 175.08 2h0p s LYS 35 N 1.46 3.07 0.54 2.72 2.36 -1.15 -0.33 119.74 128.42 2h0p s LYS 35 Ca 0.03 -1.06 -0.02 0.00 -2.55 0.00 0.00 55.97 52.36 2h0p s LYS 35 Cb -0.16 -4.12 0.01 0.00 -1.05 0.00 0.00 37.83 32.51 2h0p s LYS 35 CO -0.00 -1.18 0.80 0.14 1.55 0.00 0.00 175.35 176.66 2h0p s VAL 36 N 2.32 3.45 -0.03 4.02 -7.23 0.20 -0.45 120.40 122.68 2h0p s VAL 36 Ca 0.11 -0.35 -0.10 0.00 -1.81 0.00 0.00 61.98 59.84 2h0p s VAL 36 Cb -0.21 -3.33 0.01 0.00 0.56 0.00 0.00 36.38 33.42 2h0p s VAL 36 CO 0.10 -0.28 0.22 -0.75 -0.31 0.00 0.00 175.10 174.08 2h0p s LYS 37 N -4.80 0.47 -0.04 4.82 2.36 -1.05 -1.02 119.74 120.48 2h0p s LYS 37 Ca 0.53 -0.10 -0.18 0.00 -2.55 0.00 0.00 55.97 53.67 2h0p s LYS 37 Cb -0.10 0.21 -0.05 0.00 -1.05 0.00 0.00 37.83 36.83 2h0p s LYS 37 CO 0.41 -0.11 0.50 -0.47 1.55 0.00 0.00 175.35 177.23 2h0p s TYR 38 N -0.86 3.65 0.00 4.03 5.04 -1.24 -0.75 117.35 127.21 2h0p s TYR 38 Ca -0.09 1.04 0.00 0.00 -2.44 0.00 0.00 57.07 55.58 2h0p s TYR 38 Cb -0.05 -2.50 0.00 0.00 0.35 0.00 0.00 41.96 39.76 2h0p s TYR 38 CO 0.02 0.38 0.32 0.39 -1.34 0.00 0.00 175.55 175.33 2h0p n GLU 39 N 2.73 0.09 0.00 4.97 1.02 0.34 -4.31 120.64 125.48 2h0p n GLU 39 Ca -0.09 -0.38 -0.17 0.00 -0.02 0.00 0.00 57.16 56.50 2h0p n GLU 39 Cb 0.51 -0.67 -0.14 0.00 -0.02 0.00 0.00 31.44 31.13 2h0p n GLU 39 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2h0p h GLY 40 N 0.00 0.21 0.00 0.62 0.00 -1.44 -3.43 103.07 99.03 2h0p h GLY 40 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.79 2h0p h GLY 40 CO 0.00 0.47 0.00 0.00 0.00 0.00 0.00 176.54 177.01 2h0p n ALA 41 N -2.83 0.79 0.00 3.60 0.00 -1.26 -4.71 120.51 116.09 2h0p n ALA 41 Ca -0.26 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2h0p n ALA 41 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.50 2h0p n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h0p n GLY 42 N 0.00 0.99 3.57 0.00 0.00 -1.26 -4.96 105.19 103.52 2h0p n GLY 42 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2h0p n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h0p s ALA 43 N 0.00 0.22 0.97 4.61 0.00 -1.26 -0.38 121.76 125.92 2h0p s ALA 43 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.78 2h0p s ALA 43 Cb 0.00 -3.25 0.17 0.00 0.00 0.00 0.00 23.12 20.05 2h0p s ALA 43 CO 0.00 -3.39 1.10 -2.14 0.00 0.00 0.00 175.76 171.33 2h0p s PRO 44 N -4.62 0.61 0.04 0.00 0.02 -1.25 -4.16 135.00 125.64 2h0p s PRO 44 Ca 0.67 1.20 -0.10 0.00 0.02 0.00 0.00 61.00 62.79 2h0p s PRO 44 Cb -0.23 -1.71 0.01 0.00 0.02 0.00 0.00 34.50 32.59 2h0p s PRO 44 CO 0.62 -2.80 0.22 0.00 -0.33 0.00 0.00 177.00 174.70 2h0p s LYS 46 N -2.49 4.32 -0.27 0.00 -2.85 -1.26 -1.05 119.74 116.15 2h0p s LYS 46 Ca -0.06 0.88 -0.10 0.00 -1.00 0.00 0.00 55.97 55.69 2h0p s LYS 46 Cb -0.01 -3.21 -0.05 0.00 -2.06 0.00 0.00 37.83 32.50 2h0p s LYS 46 CO -0.03 0.59 0.17 0.14 0.10 0.00 0.00 175.35 176.32 2h0p s VAL 47 N -1.17 5.20 -0.15 1.79 -7.23 0.05 -2.54 120.40 116.34 2h0p s VAL 47 Ca 0.33 0.13 -0.29 0.00 -1.81 0.00 0.00 61.98 60.33 2h0p s VAL 47 Cb -0.20 -3.47 -0.04 0.00 0.56 0.00 0.00 36.38 33.23 2h0p s VAL 47 CO 0.22 0.27 1.79 -2.84 -0.31 0.00 0.00 175.10 174.22 2h0p s PRO 48 N 1.67 3.79 -0.08 4.82 0.02 -1.26 -4.35 135.00 139.61 2h0p s PRO 48 Ca 0.07 1.95 0.03 0.00 0.02 0.00 0.00 61.00 63.07 2h0p s PRO 48 Cb -0.16 -4.11 0.01 0.00 0.02 0.00 0.00 34.50 30.26 2h0p s PRO 48 CO 0.09 -1.32 -0.16 0.42 -0.33 0.00 0.00 177.00 175.71 2h0p s ILE 49 N 5.46 1.41 0.29 2.83 1.01 -1.26 -0.61 121.20 130.34 2h0p s ILE 49 Ca 0.80 -0.64 0.07 0.00 0.00 0.00 0.00 60.65 60.88 2h0p s ILE 49 Cb -0.30 -1.26 -0.06 0.00 0.01 0.00 0.00 42.46 40.84 2h0p s ILE 49 CO 0.32 0.42 -0.05 -1.61 0.00 0.00 0.00 174.94 174.02 2h0p s GLU 50 N 0.60 1.60 -0.08 2.79 2.02 -0.39 -5.00 118.70 120.24 2h0p s GLU 50 Ca -0.15 -1.82 0.04 0.00 0.02 0.00 0.00 54.97 53.05 2h0p s GLU 50 Cb -0.16 -1.21 0.00 0.00 0.10 0.00 0.00 34.13 32.86 2h0p s GLU 50 CO 0.05 0.03 -0.20 0.42 0.02 0.00 0.00 175.26 175.58 2h0p s ILE 51 N -2.98 1.75 0.34 -1.63 1.01 -1.26 -0.86 121.20 117.57 2h0p s ILE 51 Ca 0.30 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 60.19 2h0p s ILE 51 Cb 0.04 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 2h0p s ILE 51 CO 0.13 0.49 0.12 -0.13 0.00 0.00 0.00 174.94 175.55 2h0p s ARG 52 N 0.38 2.34 1.22 2.79 0.52 0.74 -0.16 118.95 126.77 2h0p s ARG 52 Ca -0.16 -1.57 -0.15 0.00 -0.52 0.00 0.00 55.73 53.33 2h0p s ARG 52 Cb -0.17 -2.15 0.27 0.00 0.52 0.00 0.00 34.95 33.43 2h0p s ARG 52 CO 0.07 0.12 0.77 -0.40 0.02 0.00 0.00 175.30 175.88 2h0p n ASP 53 N -1.12 -2.32 -0.20 0.23 5.75 0.01 -0.80 116.55 118.11 2h0p n ASP 53 Ca -0.03 -0.29 0.10 0.00 -0.01 0.00 0.00 54.79 54.56 2h0p n ASP 53 Cb 0.61 -1.14 0.39 0.00 -1.03 0.00 0.00 41.12 39.95 2h0p n ASP 53 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 2h0p h VAL 54 N -2.75 0.92 0.00 2.12 -1.51 -1.92 0.11 116.25 113.22 2h0p h VAL 54 Ca -0.58 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 2h0p h VAL 54 Cb 1.33 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.69 2h0p h VAL 54 CO 0.44 0.12 0.00 0.59 -1.23 0.00 0.00 177.57 177.49 2h0p n ASN 55 N -4.50 0.36 -1.44 4.19 4.13 -1.26 -4.94 115.26 111.80 2h0p n ASN 55 Ca 0.13 0.57 -0.14 0.00 1.68 0.00 0.00 54.58 56.82 2h0p n ASN 55 Cb 0.36 -0.65 -0.02 0.00 -1.54 0.00 0.00 39.78 37.93 2h0p n ASN 55 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2h0p n LYS 56 N -1.87 -1.05 -0.03 3.52 5.02 0.39 -4.91 118.16 119.23 2h0p n LYS 56 Ca 0.04 0.73 -0.02 0.00 -2.02 0.00 0.00 58.31 57.04 2h0p n LYS 56 Cb 0.27 -4.95 -0.06 0.00 -0.02 0.00 0.00 35.03 30.28 2h0p n LYS 56 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2h0p n GLU 57 N -2.37 2.33 -4.40 1.97 0.28 -1.26 -4.92 120.64 112.26 2h0p n GLU 57 Ca -0.16 -0.02 -0.21 0.00 -0.16 0.00 0.00 57.16 56.61 2h0p n GLU 57 Cb 0.58 -1.18 -0.16 0.00 1.43 0.00 0.00 31.44 32.12 2h0p n GLU 57 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2h0p s LYS 58 N -2.24 1.13 0.22 3.44 1.02 -1.26 -5.01 119.74 117.04 2h0p s LYS 58 Ca -0.03 -0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.36 2h0p s LYS 58 Cb 0.03 -1.02 -0.09 0.00 -0.52 0.00 0.00 37.83 36.22 2h0p s LYS 58 CO 0.29 0.05 1.40 0.08 -0.92 0.00 0.00 175.35 176.25 2h0p s VAL 59 N 0.47 2.88 0.00 3.17 1.01 -1.26 -0.80 120.40 125.87 2h0p s VAL 59 Ca -0.08 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2h0p s VAL 59 Cb -0.12 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2h0p s VAL 59 CO 0.01 0.11 0.02 1.33 0.00 0.00 0.00 175.10 176.57 2h0p n VAL 60 N 2.63 0.00 -3.67 2.92 0.24 0.77 -4.85 118.33 116.37 2h0p n VAL 60 Ca 0.07 -0.16 -0.20 0.00 -2.04 0.00 0.00 64.34 62.01 2h0p n VAL 60 Cb 0.41 1.10 -0.01 0.00 -1.47 0.00 0.00 33.84 33.87 2h0p n VAL 60 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2h0p s GLY 61 N -0.27 1.50 -0.20 7.63 0.00 -1.03 -3.95 107.32 111.01 2h0p s GLY 61 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.30 2h0p s GLY 61 CO 0.00 -1.37 -0.06 0.50 0.00 0.00 0.00 173.10 172.18 2h0p s ARG 62 N -4.09 1.58 -0.39 2.90 0.52 -0.05 -4.78 118.95 114.64 2h0p s ARG 62 Ca 0.41 -0.75 -0.29 0.00 -0.52 0.00 0.00 55.73 54.59 2h0p s ARG 62 Cb -0.09 -2.31 -0.00 0.00 0.52 0.00 0.00 34.95 33.07 2h0p s ARG 62 CO 0.30 -0.50 1.56 0.42 0.02 0.00 0.00 175.30 177.10 2h0p s ILE 63 N 1.51 3.73 -0.01 1.52 1.09 -1.26 -0.40 121.20 127.38 2h0p s ILE 63 Ca -0.02 0.74 -0.09 0.00 -1.10 0.00 0.00 60.65 60.18 2h0p s ILE 63 Cb -0.17 -4.00 -0.30 0.00 -1.06 0.00 0.00 42.46 36.93 2h0p s ILE 63 CO -0.07 -0.64 0.80 0.40 -0.10 0.00 0.00 174.94 175.33 2h0p h ILE 64 N 6.60 1.09 0.00 2.92 1.08 -1.48 -3.34 117.51 124.37 2h0p h ILE 64 Ca -0.30 -2.66 0.00 0.00 -0.39 0.00 0.00 64.86 61.51 2h0p h ILE 64 Cb 1.13 2.81 0.00 0.00 -3.07 0.00 0.00 36.82 37.69 2h0p h ILE 64 CO 1.07 0.84 0.00 -0.24 -0.69 0.00 0.00 178.15 179.13 2h0p n SER 65 N -3.56 1.18 -1.01 1.72 2.88 -0.13 -4.94 113.62 109.75 2h0p n SER 65 Ca -0.20 -0.80 0.06 0.00 -1.33 0.00 0.00 58.87 56.60 2h0p n SER 65 Cb 1.07 -0.20 -0.02 0.00 -0.75 0.00 0.00 64.21 64.31 2h0p n SER 65 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2h0p n SER 66 N 0.88 -6.05 -4.61 -3.46 2.88 -1.26 -4.59 113.62 97.43 2h0p n SER 66 Ca 0.00 0.49 -0.43 0.00 -1.33 0.00 0.00 58.87 57.60 2h0p n SER 66 Cb 0.19 -1.41 -0.03 0.00 -0.75 0.00 0.00 64.21 62.21 2h0p n SER 66 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2h0p s THR 67 N -0.75 3.44 0.71 2.46 2.01 -1.26 -4.88 115.64 117.38 2h0p s THR 67 Ca 0.00 0.47 -0.16 0.00 0.31 0.00 0.00 61.69 62.31 2h0p s THR 67 Cb 0.00 -3.54 -0.00 0.00 0.01 0.00 0.00 72.50 68.97 2h0p s THR 67 CO 0.00 -0.30 0.92 -2.65 -0.69 0.00 0.00 174.62 171.90 2h0p n PRO 68 N 8.23 0.51 -4.14 4.92 -0.02 -1.26 -4.45 135.00 138.79 2h0p n PRO 68 Ca 0.23 0.23 -0.10 0.00 -2.02 0.00 0.00 63.50 61.83 2h0p n PRO 68 Cb 0.46 -2.18 -0.09 0.00 -0.02 0.00 0.00 33.50 31.66 2h0p n PRO 68 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2h0p s LEU 69 N -2.77 1.40 -0.03 2.45 2.34 -1.26 -0.77 118.68 120.04 2h0p s LEU 69 Ca 0.73 -1.23 -0.05 0.00 0.06 0.00 0.00 54.13 53.64 2h0p s LEU 69 Cb -0.35 0.48 0.01 0.00 -0.56 0.00 0.00 46.19 45.77 2h0p s LEU 69 CO 0.51 -0.80 0.12 0.00 -1.06 0.00 0.00 176.35 175.11 2h0p s ALA 70 N -4.08 -0.28 -0.24 1.48 0.00 -0.21 -4.75 121.76 113.68 2h0p s ALA 70 Ca 0.29 0.14 0.22 0.00 0.00 0.00 0.00 51.96 52.61 2h0p s ALA 70 Cb 0.07 -0.09 -0.18 0.00 0.00 0.00 0.00 23.12 22.92 2h0p s ALA 70 CO 0.06 -0.11 0.74 0.39 0.00 0.00 0.00 175.76 176.84 2h0p n GLU 71 N 2.44 0.55 -3.79 0.00 -0.58 -1.26 -0.39 120.64 117.60 2h0p n GLU 71 Ca -0.16 -0.07 -0.01 0.00 -0.42 0.00 0.00 57.16 56.49 2h0p n GLU 71 Cb 0.58 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 2h0p n GLU 71 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2h0p s ASN 72 N -4.56 -0.06 0.22 1.62 0.02 -1.26 -3.74 114.94 107.18 2h0p s ASN 72 Ca -0.03 -0.39 -0.08 0.00 -1.02 0.00 0.00 52.86 51.34 2h0p s ASN 72 Cb 0.13 0.36 0.34 0.00 0.02 0.00 0.00 41.25 42.11 2h0p s ASN 72 CO 0.86 -0.69 1.72 0.74 0.02 0.00 0.00 177.10 179.75 2h0p h THR 73 N 2.00 0.67 0.00 1.60 2.02 -0.87 -0.99 112.91 117.34 2h0p h THR 73 Ca -0.27 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.79 2h0p h THR 73 Cb 1.21 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2h0p h THR 73 CO 0.30 0.06 0.00 0.59 0.37 0.00 0.00 175.52 176.85 2h0p n ASN 74 N -5.06 0.00 -4.63 4.18 4.13 -1.26 -3.62 115.26 109.00 2h0p n ASN 74 Ca 0.11 -0.04 -0.41 0.00 1.68 0.00 0.00 54.58 55.91 2h0p n ASN 74 Cb 0.34 -0.17 -0.05 0.00 -1.54 0.00 0.00 39.78 38.36 2h0p n ASN 74 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2h0p s SER 75 N -2.34 6.69 0.55 6.41 0.01 -0.38 -5.05 113.70 119.60 2h0p s SER 75 Ca 0.12 0.85 -0.15 0.00 1.31 0.00 0.00 55.95 58.08 2h0p s SER 75 Cb 0.07 -2.38 -0.06 0.00 0.21 0.00 0.00 66.02 63.85 2h0p s SER 75 CO 0.13 -0.45 1.00 0.68 0.41 0.00 0.00 173.24 175.02 2h0p s VAL 76 N 2.68 4.53 -0.08 3.43 -7.23 -1.26 -3.72 120.40 118.75 2h0p s VAL 76 Ca 0.30 1.09 -0.03 0.00 -1.81 0.00 0.00 61.98 61.54 2h0p s VAL 76 Cb -0.15 -3.74 0.05 0.00 0.56 0.00 0.00 36.38 33.10 2h0p s VAL 76 CO 0.08 -0.81 0.14 -0.89 -0.31 0.00 0.00 175.10 173.31 2h0p s THR 77 N -2.78 -0.22 -0.52 5.32 2.01 -0.19 -4.96 115.64 114.30 2h0p s THR 77 Ca 0.58 0.33 -0.21 0.00 0.31 0.00 0.00 61.69 62.69 2h0p s THR 77 Cb -0.11 -0.29 0.05 0.00 0.01 0.00 0.00 72.50 72.16 2h0p s THR 77 CO 0.38 0.12 0.76 0.54 -0.69 0.00 0.00 174.62 175.73 2h0p s ASN 78 N 2.26 6.28 -0.41 3.53 6.03 -1.26 -0.63 114.94 130.74 2h0p s ASN 78 Ca 0.04 -0.62 -0.14 0.00 -1.03 0.00 0.00 52.86 51.12 2h0p s ASN 78 Cb -0.12 -2.35 0.03 0.00 -3.03 0.00 0.00 41.25 35.78 2h0p s ASN 78 CO -0.06 -1.02 0.28 -0.63 -2.03 0.00 0.00 177.10 173.65 2h0p s ILE 79 N 3.20 5.00 0.07 0.54 -1.09 0.55 -4.87 121.20 124.60 2h0p s ILE 79 Ca 0.22 -0.82 -0.31 0.00 -2.23 0.00 0.00 60.65 57.52 2h0p s ILE 79 Cb -0.16 -3.83 -0.08 0.00 -1.58 0.00 0.00 42.46 36.81 2h0p s ILE 79 CO 0.16 -0.34 1.53 -0.70 -1.23 0.00 0.00 174.94 174.35 2h0p s GLU 80 N 1.62 4.24 -0.08 2.79 2.12 -1.26 -0.85 118.70 127.28 2h0p s GLU 80 Ca 0.04 2.19 -0.08 0.00 0.36 0.00 0.00 54.97 57.47 2h0p s GLU 80 Cb -0.20 -3.48 0.02 0.00 0.26 0.00 0.00 34.13 30.74 2h0p s GLU 80 CO 0.08 -0.62 0.24 -1.17 -0.54 0.00 0.00 175.26 173.25 2h0p s LEU 81 N 2.12 1.10 -0.55 2.70 2.96 0.18 -0.95 118.68 126.24 2h0p s LEU 81 Ca 0.69 0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 55.00 2h0p s LEU 81 Cb -0.37 0.83 0.14 0.00 0.50 0.00 0.00 46.19 47.29 2h0p s LEU 81 CO 0.30 -0.11 0.37 -0.70 -1.32 0.00 0.00 176.35 174.89 2h0p s GLU 82 N 0.02 2.41 0.95 1.98 -6.30 0.47 -0.17 118.70 118.06 2h0p s GLU 82 Ca -0.01 -2.25 -0.12 0.00 -2.50 0.00 0.00 54.97 50.08 2h0p s GLU 82 Cb -0.02 -3.72 0.16 0.00 0.00 0.00 0.00 34.13 30.55 2h0p s GLU 82 CO 0.01 -1.15 1.12 -1.25 0.02 0.00 0.00 175.26 174.01 2h0p s PRO 83 N 0.42 0.80 0.83 4.30 0.04 -1.26 -0.87 135.00 139.27 2h0p s PRO 83 Ca 0.13 0.37 -0.11 0.00 0.04 0.00 0.00 61.00 61.43 2h0p s PRO 83 Cb -0.21 -1.79 0.09 0.00 0.04 0.00 0.00 34.50 32.63 2h0p s PRO 83 CO -0.04 -2.44 1.09 -1.25 0.04 0.00 0.00 177.00 174.40 2h0p s PRO 84 N -5.15 1.77 -1.14 0.56 0.04 -1.25 -4.93 135.00 124.89 2h0p s PRO 84 Ca 0.64 0.88 -0.19 0.00 0.04 0.00 0.00 61.00 62.38 2h0p s PRO 84 Cb -0.16 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 2h0p s PRO 84 CO 0.55 -1.90 2.03 1.19 0.04 0.00 0.00 177.00 178.91 2h0p n PHE 85 N -3.66 2.92 -3.13 0.56 3.72 -1.26 -4.37 117.46 112.24 2h0p n PHE 85 Ca 0.08 -2.35 0.00 0.00 -0.05 0.00 0.00 57.45 55.13 2h0p n PHE 85 Cb 0.55 -2.23 0.00 0.00 -0.94 0.00 0.00 39.48 36.85 2h0p n PHE 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2h0p n GLY 86 N 4.58 -1.21 3.77 1.37 0.00 -1.26 -4.96 105.19 107.47 2h0p n GLY 86 Ca 0.50 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 2h0p n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2h0p s ASP 87 N -4.00 6.44 0.03 1.61 2.15 -1.26 -2.14 116.67 119.49 2h0p s ASP 87 Ca 0.00 2.30 -0.28 0.00 0.43 0.00 0.00 52.55 55.00 2h0p s ASP 87 Cb 0.00 -2.61 0.08 0.00 -0.30 0.00 0.00 42.92 40.09 2h0p s ASP 87 CO 0.00 -0.73 0.68 -0.94 -0.17 0.00 0.00 175.17 174.01 2h0p s SER 88 N -1.26 -0.59 -0.30 -0.34 1.04 0.42 -4.42 113.70 108.25 2h0p s SER 88 Ca 0.59 0.36 0.01 0.00 0.48 0.00 0.00 55.95 57.39 2h0p s SER 88 Cb -0.29 0.54 0.09 0.00 0.10 0.00 0.00 66.02 66.46 2h0p s SER 88 CO 0.36 -0.74 0.06 -0.31 0.98 0.00 0.00 173.24 173.59 2h0p s TYR 89 N -2.34 2.36 0.28 5.02 1.51 0.02 -0.94 117.35 123.26 2h0p s TYR 89 Ca -0.05 -2.06 -0.29 0.00 -1.01 0.00 0.00 57.07 53.66 2h0p s TYR 89 Cb -0.00 -2.01 -0.10 0.00 -0.11 0.00 0.00 41.96 39.74 2h0p s TYR 89 CO -0.01 -0.87 1.14 0.42 -1.11 0.00 0.00 175.55 175.12 2h0p s ILE 90 N 1.39 3.36 -0.11 2.71 1.09 0.35 -0.19 121.20 129.81 2h0p s ILE 90 Ca 0.07 1.35 0.02 0.00 -1.10 0.00 0.00 60.65 60.99 2h0p s ILE 90 Cb -0.18 -3.86 0.02 0.00 -1.06 0.00 0.00 42.46 37.38 2h0p s ILE 90 CO -0.17 0.31 -0.15 0.68 -0.10 0.00 0.00 174.94 175.51 2h0p s VAL 91 N -1.05 1.48 -0.30 2.92 -7.23 -0.04 -0.55 120.40 115.63 2h0p s VAL 91 Ca 0.46 -0.63 0.01 0.00 -1.81 0.00 0.00 61.98 60.02 2h0p s VAL 91 Cb -0.33 -1.36 0.09 0.00 0.56 0.00 0.00 36.38 35.33 2h0p s VAL 91 CO 0.43 0.44 0.03 -0.63 -0.31 0.00 0.00 175.10 175.06 2h0p s ILE 92 N 1.03 1.59 0.00 -0.62 1.01 -0.79 -1.26 121.20 122.16 2h0p s ILE 92 Ca -0.06 -1.67 0.00 0.00 0.00 0.00 0.00 60.65 58.92 2h0p s ILE 92 Cb -0.15 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.25 2h0p s ILE 92 CO -0.02 -0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.07 2h0p n GLY 93 N 4.58 0.90 3.73 6.18 0.00 0.22 -0.56 105.19 120.24 2h0p n GLY 93 Ca -0.03 -2.20 -0.33 0.00 0.00 0.00 0.00 46.02 43.46 2h0p n GLY 93 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2h0p s VAL 94 N -1.19 4.44 0.00 1.61 -7.23 -1.26 -4.47 120.40 112.30 2h0p s VAL 94 Ca 0.00 -0.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 2h0p s VAL 94 Cb 0.00 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 33.92 2h0p s VAL 94 CO 0.00 0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.74 2h0p n GLY 95 N 1.22 0.12 0.04 2.32 0.00 -1.26 -0.21 105.19 107.42 2h0p n GLY 95 Ca -0.13 0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.01 2h0p n GLY 95 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2h0p n ASN 96 N 0.35 0.16 -0.13 1.61 6.94 -1.26 -1.74 115.26 121.19 2h0p n ASN 96 Ca 0.00 0.56 0.06 0.00 -0.02 0.00 0.00 54.58 55.18 2h0p n ASN 96 Cb 0.00 -0.59 -0.04 0.00 -2.36 0.00 0.00 39.78 36.79 2h0p n ASN 96 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2h0p n SER 97 N -1.70 0.96 -4.70 0.53 7.64 0.71 -5.02 113.62 112.04 2h0p n SER 97 Ca 0.01 -0.98 -0.42 0.00 1.01 0.00 0.00 58.87 58.49 2h0p n SER 97 Cb 0.08 0.77 -0.03 0.00 -1.01 0.00 0.00 64.21 64.03 2h0p n SER 97 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2h0p s ALA 98 N -1.98 3.49 -0.96 -0.43 0.00 -0.71 -4.14 121.76 117.02 2h0p s ALA 98 Ca 0.08 0.81 -0.25 0.00 0.00 0.00 0.00 51.96 52.60 2h0p s ALA 98 Cb 0.10 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.63 2h0p s ALA 98 CO 0.45 -0.66 2.03 -0.51 0.00 0.00 0.00 175.76 177.06 2h0p s LEU 99 N 1.73 3.03 -0.78 0.00 1.43 0.27 -4.82 118.68 119.55 2h0p s LEU 99 Ca 0.60 -0.80 -0.26 0.00 -1.03 0.00 0.00 54.13 52.63 2h0p s LEU 99 Cb -0.29 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.39 2h0p s LEU 99 CO 0.26 -3.16 1.34 -0.89 0.23 0.00 0.00 176.35 174.14 2h0p s THR 100 N 11.58 3.73 0.44 5.49 2.01 -1.26 -1.88 115.64 135.76 2h0p s THR 100 Ca 0.74 0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.97 2h0p s THR 100 Cb -0.06 -4.89 -0.03 0.00 0.01 0.00 0.00 72.50 67.53 2h0p s THR 100 CO 0.05 -1.82 0.06 -1.48 -0.69 0.00 0.00 174.62 170.75 2h0p s LEU 101 N 5.82 2.21 -0.02 4.42 2.34 0.28 -4.96 118.68 128.78 2h0p s LEU 101 Ca 0.39 -1.61 0.06 0.00 0.06 0.00 0.00 54.13 53.03 2h0p s LEU 101 Cb -0.07 -0.45 -0.02 0.00 -0.56 0.00 0.00 46.19 45.10 2h0p s LEU 101 CO 0.11 -0.83 -0.21 -1.38 -1.06 0.00 0.00 176.35 172.99 2h0p s HIS 102 N -3.05 1.86 -0.21 3.48 -3.43 -1.25 -0.49 115.29 112.20 2h0p s HIS 102 Ca 0.19 -0.36 -0.13 0.00 -0.80 0.00 0.00 55.06 53.97 2h0p s HIS 102 Cb 0.03 -1.20 0.07 0.00 -1.43 0.00 0.00 32.58 30.05 2h0p s HIS 102 CO 0.10 -0.03 0.52 -0.46 -2.00 0.00 0.00 174.74 172.87 2h0p s TRP 103 N -0.48 -0.76 -0.37 0.38 -0.11 -0.12 -2.08 118.94 115.41 2h0p s TRP 103 Ca 0.08 1.60 -0.09 0.00 1.22 0.00 0.00 56.10 58.90 2h0p s TRP 103 Cb -0.08 0.39 0.03 0.00 -1.50 0.00 0.00 33.47 32.31 2h0p s TRP 103 CO -0.01 -0.40 0.18 0.12 -4.62 0.00 0.00 176.95 172.22 2h0p s PHE 104 N 1.34 3.25 0.57 5.86 2.19 -1.26 -0.44 117.98 129.49 2h0p s PHE 104 Ca -0.09 -1.14 -0.20 0.00 0.33 0.00 0.00 56.93 55.83 2h0p s PHE 104 Cb -0.07 -2.40 -0.04 0.00 -1.31 0.00 0.00 43.02 39.20 2h0p s PHE 104 CO -0.14 -0.69 1.26 0.50 1.83 0.00 0.00 175.22 177.99 2h0p s ARG 105 N 1.50 3.08 0.00 10.12 3.52 -0.91 -3.35 118.95 132.90 2h0p s ARG 105 Ca 0.01 1.98 0.00 0.00 -0.13 0.00 0.00 55.73 57.58 2h0p s ARG 105 Cb -0.19 -2.09 0.00 0.00 -1.56 0.00 0.00 34.95 31.11 2h0p s ARG 105 CO 0.05 -1.16 0.00 1.63 -0.81 0.00 0.00 175.30 175.01 2h0p n LYS 106 N -1.30 0.00 -0.93 5.12 4.76 -1.26 -4.54 118.16 120.02 2h0p n LYS 106 Ca 0.12 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.42 2h0p n LYS 106 Cb 0.48 -2.46 -0.02 0.00 -1.84 0.00 0.00 35.03 31.19 2h0p n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2h0p n GLY 107 N -0.39 3.60 0.98 0.72 0.00 -1.21 -4.92 105.19 103.97 2h0p n GLY 107 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2h0p n GLY 107 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2h0p n SER 108 N 1.06 0.49 0.00 1.61 7.64 -1.23 -2.00 113.62 121.19 2h0p n SER 108 Ca 0.28 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2h0p n SER 108 Cb 0.61 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2h0p n SER 108 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2h0p n SER 109 N 0.90 0.00 0.28 6.43 7.64 -1.26 -4.67 113.62 122.94 2h0p n SER 109 Ca 0.00 -1.00 0.18 0.00 1.01 0.00 0.00 58.87 59.06 2h0p n SER 109 Cb 0.08 0.00 0.76 0.00 -1.01 0.00 0.00 64.21 64.05 2h0p n SER 109 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2h0p h ILE 110 N 1.37 0.00 -2.30 0.44 2.10 -1.72 -3.41 117.51 114.00 2h0p h ILE 110 Ca 0.00 -0.42 -0.58 0.00 1.08 0.00 0.00 64.86 64.93 2h0p h ILE 110 Cb 0.59 1.42 -0.14 0.00 -1.09 0.00 0.00 36.82 37.60 2h0p h ILE 110 CO 0.00 0.00 -0.74 -0.83 -1.08 0.00 0.00 178.15 175.50 2h0p s GLY 111 N -4.16 1.85 0.00 8.18 0.00 -1.26 -4.95 107.32 106.98 2h0p s GLY 111 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.85 2h0p s GLY 111 CO 0.52 -1.94 0.00 0.28 0.00 0.00 0.00 173.10 171.96