#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ee8 s SER 2 N 0.00 -0.21 -0.17 1.61 1.04 -1.26 -5.07 113.70 109.65 2ee8 s SER 2 Ca 0.00 -0.04 -0.13 0.00 0.48 0.00 0.00 55.95 56.25 2ee8 s SER 2 Cb 0.00 0.26 -0.23 0.00 0.10 0.00 0.00 66.02 66.15 2ee8 s SER 2 CO 0.00 -0.43 0.27 -1.54 0.98 0.00 0.00 173.24 172.52 2ee8 n SER 3 N -0.21 2.00 0.00 7.02 3.41 -1.26 -5.10 113.62 119.48 2ee8 n SER 3 Ca -0.04 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 2ee8 n SER 3 Cb 0.60 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 2ee8 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ee8 n GLY 4 N 1.73 -0.77 3.88 5.00 0.00 -1.26 -5.11 105.19 108.65 2ee8 n GLY 4 Ca -0.33 -2.15 -0.03 0.00 0.00 0.00 0.00 46.02 43.51 2ee8 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ee8 s SER 5 N -4.00 -0.00 0.21 1.61 0.01 -1.26 -5.19 113.70 105.08 2ee8 s SER 5 Ca 0.00 -0.67 -0.22 0.00 1.31 0.00 0.00 55.95 56.36 2ee8 s SER 5 Cb 0.00 0.51 0.04 0.00 0.21 0.00 0.00 66.02 66.78 2ee8 s SER 5 CO 0.00 -1.00 0.71 -0.55 0.41 0.00 0.00 173.24 172.81 2ee8 s SER 6 N -3.39 -0.36 0.00 2.44 0.15 -1.26 -5.19 113.70 106.09 2ee8 s SER 6 Ca 0.21 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.51 2ee8 s SER 6 Cb -0.03 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 2ee8 s SER 6 CO 0.05 -1.14 0.00 0.61 1.20 0.00 0.00 173.24 173.96 2ee8 n GLY 7 N -0.42 7.32 3.56 9.45 0.00 -1.26 -5.17 105.19 118.67 2ee8 n GLY 7 Ca -0.09 -2.01 0.02 0.00 0.00 0.00 0.00 46.02 43.94 2ee8 n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ee8 s GLY 8 N -0.11 0.46 0.32 -0.02 0.00 -1.26 -5.18 107.32 101.54 2ee8 s GLY 8 Ca 0.00 3.69 0.09 0.00 0.00 0.00 0.00 44.72 48.50 2ee8 s GLY 8 CO 0.00 2.87 0.06 1.09 0.00 0.00 0.00 173.10 177.12 2ee8 s ARG 9 N 1.31 2.23 0.01 2.90 1.04 -1.26 -5.15 118.95 120.03 2ee8 s ARG 9 Ca -0.07 -1.61 0.04 0.00 -1.04 0.00 0.00 55.73 53.05 2ee8 s ARG 9 Cb -0.02 -2.07 -0.01 0.00 -2.04 0.00 0.00 34.95 30.81 2ee8 s ARG 9 CO -0.12 0.17 -0.11 -0.48 -0.04 0.00 0.00 175.30 174.72 2ee8 s LEU 10 N -3.76 2.09 0.04 -1.89 0.05 -1.26 -5.12 118.68 108.83 2ee8 s LEU 10 Ca 0.35 -0.30 -0.30 0.00 0.05 0.00 0.00 54.13 53.92 2ee8 s LEU 10 Cb -0.02 -0.51 -0.06 0.00 -2.05 0.00 0.00 46.19 43.54 2ee8 s LEU 10 CO 0.21 0.06 1.42 -2.16 -0.55 0.00 0.00 176.35 175.33 2ee8 s PRO 11 N -0.64 4.29 -0.77 1.48 0.04 -1.26 -4.96 135.00 133.17 2ee8 s PRO 11 Ca 0.02 2.02 -0.23 0.00 0.04 0.00 0.00 61.00 62.85 2ee8 s PRO 11 Cb -0.06 -3.49 0.06 0.00 0.04 0.00 0.00 34.50 31.06 2ee8 s PRO 11 CO 0.00 -0.55 1.15 -1.54 0.04 0.00 0.00 177.00 176.10 2ee8 s SER 12 N 1.71 6.28 -0.16 6.66 1.04 -1.26 -5.00 113.70 122.97 2ee8 s SER 12 Ca 0.65 -1.04 -0.04 0.00 0.48 0.00 0.00 55.95 56.00 2ee8 s SER 12 Cb -0.34 -2.48 -0.03 0.00 0.10 0.00 0.00 66.02 63.28 2ee8 s SER 12 CO 0.28 -1.52 -0.03 -0.75 0.98 0.00 0.00 173.24 172.20 2ee8 s LYS 13 N 4.49 3.68 -0.04 4.02 2.20 -1.26 -5.10 119.74 127.73 2ee8 s LYS 13 Ca 0.31 -0.51 0.02 0.00 -0.36 0.00 0.00 55.97 55.42 2ee8 s LYS 13 Cb -0.10 -2.92 0.02 0.00 -1.51 0.00 0.00 37.83 33.31 2ee8 s LYS 13 CO 0.06 0.24 -0.07 -0.08 -0.36 0.00 0.00 175.35 175.15 2ee8 s THR 14 N 0.36 0.69 0.08 3.43 -1.32 -1.26 -5.14 115.64 112.47 2ee8 s THR 14 Ca -0.04 -0.24 -0.06 0.00 -1.21 0.00 0.00 61.69 60.15 2ee8 s THR 14 Cb -0.14 -0.67 -0.05 0.00 -1.51 0.00 0.00 72.50 70.13 2ee8 s THR 14 CO 0.03 0.25 0.32 -1.59 -2.21 0.00 0.00 174.62 171.42 2ee8 s LYS 15 N 0.69 3.61 0.37 7.08 -2.85 -1.26 -5.11 119.74 122.27 2ee8 s LYS 15 Ca -0.10 -0.09 0.05 0.00 -1.00 0.00 0.00 55.97 54.82 2ee8 s LYS 15 Cb -0.13 -2.97 -0.03 0.00 -2.06 0.00 0.00 37.83 32.64 2ee8 s LYS 15 CO 0.01 0.56 0.17 0.15 0.10 0.00 0.00 175.35 176.34 2ee8 s LYS 16 N -2.23 1.83 0.37 1.78 1.02 -1.26 -5.18 119.74 116.07 2ee8 s LYS 16 Ca 0.35 -2.09 0.09 0.00 0.02 0.00 0.00 55.97 54.33 2ee8 s LYS 16 Cb -0.13 -0.28 -0.07 0.00 -0.52 0.00 0.00 37.83 36.83 2ee8 s LYS 16 CO 0.21 -0.52 -0.05 -1.21 -0.92 0.00 0.00 175.35 172.86 2ee8 s GLU 17 N -3.66 1.88 0.19 1.68 8.01 -1.26 -5.05 118.70 120.49 2ee8 s GLU 17 Ca 0.30 -2.00 -0.00 0.00 0.01 0.00 0.00 54.97 53.28 2ee8 s GLU 17 Cb 0.03 -1.69 -0.04 0.00 -4.31 0.00 0.00 34.13 28.12 2ee8 s GLU 17 CO 0.18 0.07 0.37 -0.06 0.01 0.00 0.00 175.26 175.83 2ee8 s PHE 18 N -2.64 3.48 -0.03 1.61 0.08 -1.26 -5.00 117.98 114.22 2ee8 s PHE 18 Ca 0.33 0.31 0.03 0.00 0.12 0.00 0.00 56.93 57.72 2ee8 s PHE 18 Cb 0.05 -1.83 0.00 0.00 -0.57 0.00 0.00 43.02 40.68 2ee8 s PHE 18 CO 0.17 0.41 -0.10 0.42 -0.10 0.00 0.00 175.22 176.02 2ee8 s ILE 19 N -1.83 0.85 1.09 0.64 1.01 -1.26 -3.03 121.20 118.67 2ee8 s ILE 19 Ca 0.38 -0.38 -0.20 0.00 0.00 0.00 0.00 60.65 60.44 2ee8 s ILE 19 Cb -0.11 -0.76 0.05 0.00 0.01 0.00 0.00 42.46 41.65 2ee8 s ILE 19 CO 0.29 0.27 -0.29 0.00 0.00 0.00 0.00 174.94 175.20 2ee8 n LYS 21 N -1.17 2.32 0.01 0.00 2.85 -1.26 -3.90 118.16 117.01 2ee8 n LYS 21 Ca 0.00 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.09 2ee8 n LYS 21 Cb 0.65 -0.97 -0.14 0.00 -0.65 0.00 0.00 35.03 33.92 2ee8 n LYS 21 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 2ee8 h PHE 22 N 0.00 0.36 0.00 5.58 0.04 -1.99 -3.39 116.94 117.53 2ee8 h PHE 22 Ca 0.00 -0.26 -0.25 0.00 2.80 0.00 0.00 57.97 60.26 2ee8 h PHE 22 Cb 0.54 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.63 2ee8 h PHE 22 CO 0.00 1.18 -1.95 0.00 -0.60 0.00 0.00 178.31 176.94 2ee8 n GLY 24 N 2.16 0.55 3.89 0.00 0.00 -1.25 -5.04 105.19 105.50 2ee8 n GLY 24 Ca -0.23 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 2ee8 n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ee8 s ARG 25 N -3.75 3.27 0.07 1.61 3.52 -1.26 -4.80 118.95 117.61 2ee8 s ARG 25 Ca 0.00 -0.61 -0.03 0.00 -0.13 0.00 0.00 55.73 54.96 2ee8 s ARG 25 Cb 0.00 -2.90 -0.05 0.00 -1.56 0.00 0.00 34.95 30.44 2ee8 s ARG 25 CO 0.00 0.55 0.27 -1.01 -0.81 0.00 0.00 175.30 174.30 2ee8 s HIS 26 N -1.63 3.52 0.13 5.12 3.76 -1.26 -0.88 115.29 124.04 2ee8 s HIS 26 Ca 0.33 0.42 0.03 0.00 -0.15 0.00 0.00 55.06 55.69 2ee8 s HIS 26 Cb -0.12 -1.89 -0.04 0.00 1.11 0.00 0.00 32.58 31.64 2ee8 s HIS 26 CO 0.27 0.55 -0.08 -0.06 -0.85 0.00 0.00 174.74 174.56 2ee8 s PHE 27 N -1.51 1.12 -0.18 1.40 0.40 -1.17 -5.00 117.98 113.05 2ee8 s PHE 27 Ca 0.35 -0.83 -0.19 0.00 -0.60 0.00 0.00 56.93 55.66 2ee8 s PHE 27 Cb -0.13 -0.60 -0.15 0.00 0.51 0.00 0.00 43.02 42.65 2ee8 s PHE 27 CO 0.24 -0.02 0.20 1.79 0.70 0.00 0.00 175.22 178.13 2ee8 h THR 28 N 2.84 0.80 -2.71 0.64 1.35 -2.00 -3.40 112.91 110.44 2ee8 h THR 28 Ca -0.36 -1.88 -0.46 0.00 -0.55 0.00 0.00 66.41 63.16 2ee8 h THR 28 Cb 1.18 1.78 0.03 0.00 -1.73 0.00 0.00 68.15 69.41 2ee8 h THR 28 CO 0.64 0.27 -0.11 -0.54 -0.25 0.00 0.00 175.52 175.53 2ee8 s LYS 29 N -2.26 3.08 0.21 4.72 -0.14 -1.26 -4.88 119.74 119.21 2ee8 s LYS 29 Ca -0.22 -0.50 0.24 0.00 -1.36 0.00 0.00 55.97 54.12 2ee8 s LYS 29 Cb 0.03 -2.57 0.38 0.00 -1.68 0.00 0.00 37.83 34.00 2ee8 s LYS 29 CO 0.49 -0.24 1.42 0.66 -0.76 0.00 0.00 175.35 176.91 2ee8 h SER 30 N 0.43 0.00 0.11 2.83 4.64 -1.96 -3.35 113.55 116.25 2ee8 h SER 30 Ca -0.46 -0.09 -0.33 0.00 -0.47 0.00 0.00 61.79 60.43 2ee8 h SER 30 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 2ee8 h SER 30 CO 0.57 0.05 -1.77 0.10 -0.87 0.00 0.00 176.83 174.91 2ee8 h TYR 31 N 0.00 0.43 -0.99 4.77 -0.00 -2.01 -3.37 116.97 115.80 2ee8 h TYR 31 Ca 0.00 -0.32 0.20 0.00 0.00 0.00 0.00 58.73 58.61 2ee8 h TYR 31 Cb 0.83 -0.02 -0.10 0.00 0.00 0.00 0.00 36.73 37.45 2ee8 h TYR 31 CO 0.00 1.70 0.62 -0.91 -0.00 0.00 0.00 178.16 179.56 2ee8 h ASN 32 N -0.14 0.67 0.29 0.10 4.21 -1.98 -1.60 115.58 117.13 2ee8 h ASN 32 Ca -0.39 0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.21 2ee8 h ASN 32 Cb 1.89 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 39.03 2ee8 h ASN 32 CO 0.05 0.23 -0.30 0.25 -1.29 0.00 0.00 177.43 176.37 2ee8 h LEU 33 N 0.65 -0.80 -1.21 1.61 5.85 -1.72 -2.08 115.31 117.61 2ee8 h LEU 33 Ca 0.56 0.07 0.17 0.00 0.84 0.00 0.00 57.88 59.52 2ee8 h LEU 33 Cb 1.02 0.27 -0.08 0.00 0.37 0.00 0.00 40.66 42.25 2ee8 h LEU 33 CO -0.33 -0.42 0.60 0.17 -0.34 0.00 0.00 178.44 178.12 2ee8 h LEU 34 N -0.62 0.68 -2.09 2.25 8.10 -1.47 0.44 115.31 122.61 2ee8 h LEU 34 Ca -0.01 0.06 -0.02 0.00 0.11 0.00 0.00 57.88 58.02 2ee8 h LEU 34 Cb 0.57 -0.07 -0.00 0.00 -0.44 0.00 0.00 40.66 40.72 2ee8 h LEU 34 CO -0.06 0.30 -0.08 0.40 -4.11 0.00 0.00 178.44 174.89 2ee8 h ILE 35 N 0.70 0.64 0.05 0.15 2.04 -0.97 -2.69 117.51 117.42 2ee8 h ILE 35 Ca 0.50 -0.32 -0.35 0.00 1.00 0.00 0.00 64.86 65.69 2ee8 h ILE 35 Cb 0.85 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 2ee8 h ILE 35 CO -0.26 0.08 -2.09 1.57 0.00 0.00 0.00 178.15 177.44 2ee8 n HIS 36 N -3.84 0.72 -0.34 1.37 -0.00 0.12 -4.26 115.22 108.99 2ee8 n HIS 36 Ca -0.02 0.19 0.10 0.00 0.46 0.00 0.00 57.72 58.44 2ee8 n HIS 36 Cb 0.17 -1.11 0.27 0.00 -0.12 0.00 0.00 29.99 29.20 2ee8 n HIS 36 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 2ee8 h GLU 37 N 0.03 0.78 -0.16 1.57 5.08 -0.19 0.28 114.58 121.96 2ee8 h GLU 37 Ca -0.44 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 57.92 2ee8 h GLU 37 Cb 2.03 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 31.10 2ee8 h GLU 37 CO 0.04 0.51 0.32 0.07 -1.00 0.00 0.00 179.01 178.95 2ee8 h ARG 38 N 0.80 0.00 0.00 2.33 0.11 -1.69 0.32 114.38 116.25 2ee8 h ARG 38 Ca 0.52 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.56 2ee8 h ARG 38 Cb 0.71 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.78 2ee8 h ARG 38 CO -0.34 0.00 -0.19 1.79 0.10 0.00 0.00 179.97 181.33 2ee8 h THR 39 N 0.00 0.56 -1.60 0.08 1.35 -0.66 -3.25 112.91 109.39 2ee8 h THR 39 Ca 0.08 -0.90 -0.76 0.00 -0.55 0.00 0.00 66.41 64.27 2ee8 h THR 39 Cb 0.71 1.61 -0.19 0.00 -1.73 0.00 0.00 68.15 68.56 2ee8 h THR 39 CO -0.00 0.19 1.79 1.41 -0.25 0.00 0.00 175.52 178.66 2ee8 n HIS 40 N -3.48 2.65 -3.68 4.73 8.25 0.11 -4.88 115.22 118.92 2ee8 n HIS 40 Ca -0.01 -2.69 -0.21 0.00 -0.26 0.00 0.00 57.72 54.55 2ee8 n HIS 40 Cb 0.36 -1.56 -0.18 0.00 1.12 0.00 0.00 29.99 29.73 2ee8 n HIS 40 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2ee8 s THR 41 N -2.53 -0.03 -0.35 1.59 -4.23 -1.23 -5.01 115.64 103.85 2ee8 s THR 41 Ca 0.48 0.27 0.07 0.00 -1.18 0.00 0.00 61.69 61.33 2ee8 s THR 41 Cb 0.20 -0.29 0.55 0.00 1.34 0.00 0.00 72.50 74.30 2ee8 s THR 41 CO -0.12 0.11 1.61 0.47 -0.54 0.00 0.00 174.62 176.15 2ee8 n ASP 42 N 5.27 3.06 -4.63 3.99 9.92 -1.26 -4.99 116.55 127.90 2ee8 n ASP 42 Ca -0.04 -3.75 -0.43 0.00 -0.53 0.00 0.00 54.79 50.04 2ee8 n ASP 42 Cb 0.50 -0.70 -0.03 0.00 -0.64 0.00 0.00 41.12 40.25 2ee8 n ASP 42 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2ee8 s GLU 43 N -3.30 3.80 -0.08 -1.24 8.01 -1.26 -4.96 118.70 119.67 2ee8 s GLU 43 Ca 0.49 1.68 -0.30 0.00 0.01 0.00 0.00 54.97 56.85 2ee8 s GLU 43 Cb 0.43 -4.04 -0.03 0.00 -4.31 0.00 0.00 34.13 26.18 2ee8 s GLU 43 CO 0.03 -1.29 1.32 1.03 0.01 0.00 0.00 175.26 176.36 2ee8 s ARG 44 N 4.68 4.27 -0.02 1.61 3.00 -1.26 -4.94 118.95 126.29 2ee8 s ARG 44 Ca 0.72 1.80 -0.25 0.00 0.00 0.00 0.00 55.73 57.99 2ee8 s ARG 44 Cb -0.25 -3.69 -0.20 0.00 0.00 0.00 0.00 34.95 30.82 2ee8 s ARG 44 CO 0.29 -0.62 1.23 -1.00 0.00 0.00 0.00 175.30 175.20 2ee8 h PRO 45 N 8.06 -0.05 -6.07 3.54 0.13 -1.93 -3.44 132.00 132.24 2ee8 h PRO 45 Ca -0.33 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.07 2ee8 h PRO 45 Cb 1.15 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2ee8 h PRO 45 CO 0.93 0.42 1.10 0.66 -0.23 0.00 0.00 178.00 180.87 2ee8 n TYR 46 N -4.88 1.78 -3.63 1.56 4.02 -1.26 -4.92 117.16 109.82 2ee8 n TYR 46 Ca -0.08 0.54 -0.11 0.00 -0.01 0.00 0.00 57.90 58.23 2ee8 n TYR 46 Cb 0.25 -2.44 -0.11 0.00 -0.02 0.00 0.00 39.34 37.02 2ee8 n TYR 46 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2ee8 s THR 47 N 4.95 -0.51 0.93 -0.72 2.01 -1.25 -3.44 115.64 117.59 2ee8 s THR 47 Ca 1.05 0.20 -0.12 0.00 0.31 0.00 0.00 61.69 63.13 2ee8 s THR 47 Cb -1.10 -0.56 0.19 0.00 0.01 0.00 0.00 72.50 71.03 2ee8 s THR 47 CO 0.62 0.07 0.43 0.00 -0.69 0.00 0.00 174.62 175.06 2ee8 n ASP 49 N -1.97 1.69 0.00 0.00 8.00 -1.26 -4.23 116.55 118.78 2ee8 n ASP 49 Ca 0.07 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.56 2ee8 n ASP 49 Cb 0.30 1.63 -0.00 0.00 -0.02 0.00 0.00 41.12 43.03 2ee8 n ASP 49 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2ee8 n ILE 50 N -2.02 0.33 0.84 0.53 5.41 -1.26 -4.71 119.36 118.48 2ee8 n ILE 50 Ca -0.03 0.19 0.10 0.00 1.00 0.00 0.00 62.75 64.01 2ee8 n ILE 50 Cb 0.40 -1.31 0.48 0.00 -0.71 0.00 0.00 39.64 38.50 2ee8 n ILE 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ee8 n HIS 52 N -1.40 -1.51 -2.78 0.00 8.25 -1.26 -4.90 115.22 111.62 2ee8 n HIS 52 Ca 0.07 0.73 -0.32 0.00 -0.26 0.00 0.00 57.72 57.94 2ee8 n HIS 52 Cb 0.21 -2.84 -0.05 0.00 1.12 0.00 0.00 29.99 28.43 2ee8 n HIS 52 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2ee8 s LYS 53 N -7.01 4.03 -0.01 -0.41 1.02 -1.26 -4.53 119.74 111.56 2ee8 s LYS 53 Ca 0.48 0.87 -0.13 0.00 0.02 0.00 0.00 55.97 57.21 2ee8 s LYS 53 Cb -0.27 -2.26 -0.05 0.00 -0.52 0.00 0.00 37.83 34.73 2ee8 s LYS 53 CO 0.96 -0.06 0.36 0.00 -0.92 0.00 0.00 175.35 175.69 2ee8 s ALA 54 N -2.29 3.73 0.25 5.17 0.00 -1.26 -2.02 121.76 125.33 2ee8 s ALA 54 Ca 0.58 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.25 2ee8 s ALA 54 Cb -0.10 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.66 2ee8 s ALA 54 CO 0.22 0.51 0.11 -0.06 0.00 0.00 0.00 175.76 176.54 2ee8 s PHE 55 N -1.09 1.45 -0.16 0.00 0.40 -1.22 -5.02 117.98 112.33 2ee8 s PHE 55 Ca 0.23 -1.24 -0.01 0.00 -0.60 0.00 0.00 56.93 55.30 2ee8 s PHE 55 Cb -0.16 -0.81 -0.09 0.00 0.51 0.00 0.00 43.02 42.47 2ee8 s PHE 55 CO 0.12 -0.43 -0.16 2.89 0.70 0.00 0.00 175.22 178.35 2ee8 n ARG 56 N -0.42 0.38 -3.98 0.44 1.85 -1.26 -4.50 116.66 109.16 2ee8 n ARG 56 Ca 0.01 0.11 -0.31 0.00 -1.00 0.00 0.00 57.85 56.65 2ee8 n ARG 56 Cb 0.66 -1.25 -0.05 0.00 -1.05 0.00 0.00 32.46 30.77 2ee8 n ARG 56 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2ee8 s ARG 57 N -2.31 3.17 -0.01 2.89 0.52 -1.26 -5.03 118.95 116.92 2ee8 s ARG 57 Ca -0.21 -0.56 -0.23 0.00 -0.52 0.00 0.00 55.73 54.21 2ee8 s ARG 57 Cb 0.06 -2.89 -0.15 0.00 0.52 0.00 0.00 34.95 32.49 2ee8 s ARG 57 CO 0.34 0.59 1.06 0.37 0.02 0.00 0.00 175.30 177.68 2ee8 h GLN 58 N 3.21 -0.38 -0.79 3.54 4.15 -1.99 -2.76 115.11 120.09 2ee8 h GLN 58 Ca -0.46 0.03 0.17 0.00 0.77 0.00 0.00 58.65 59.15 2ee8 h GLN 58 Cb 1.16 0.09 -0.11 0.00 0.21 0.00 0.00 27.48 28.83 2ee8 h GLN 58 CO 0.71 -0.04 0.29 0.22 -1.93 0.00 0.00 178.83 178.07 2ee8 h ASP 59 N -0.86 0.21 -0.49 -0.69 1.82 -1.98 0.31 116.42 114.74 2ee8 h ASP 59 Ca -0.04 0.13 -0.01 0.00 -0.39 0.00 0.00 57.03 56.72 2ee8 h ASP 59 Cb 0.52 0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.63 2ee8 h ASP 59 CO 0.07 0.04 0.29 0.45 -1.61 0.00 0.00 179.24 178.48 2ee8 h HIS 60 N 0.38 0.66 0.00 0.28 3.86 -1.98 -0.39 115.15 117.96 2ee8 h HIS 60 Ca 0.45 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.51 2ee8 h HIS 60 Cb 0.75 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 2ee8 h HIS 60 CO -0.19 0.45 -0.71 1.25 0.86 0.00 0.00 177.93 179.59 2ee8 h LEU 61 N 0.70 0.00 0.22 2.43 5.85 -0.24 -2.92 115.31 121.34 2ee8 h LEU 61 Ca 0.18 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2ee8 h LEU 61 Cb -0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2ee8 h LEU 61 CO -0.03 0.71 -0.11 0.03 -0.34 0.00 0.00 178.44 178.70 2ee8 h ARG 62 N 0.00 -0.29 0.00 1.25 3.08 0.19 -3.15 114.38 115.47 2ee8 h ARG 62 Ca -0.01 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2ee8 h ARG 62 Cb 1.46 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.57 2ee8 h ARG 62 CO 0.09 -0.19 0.02 -0.40 -1.07 0.00 0.00 179.97 178.42 2ee8 n ASP 63 N -4.34 0.30 0.07 7.04 5.68 -0.24 -1.28 116.55 123.77 2ee8 n ASP 63 Ca -0.04 0.63 -0.21 0.00 -0.50 0.00 0.00 54.79 54.67 2ee8 n ASP 63 Cb 0.12 -0.66 -0.12 0.00 -1.14 0.00 0.00 41.12 39.32 2ee8 n ASP 63 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2ee8 h HIS 64 N 0.00 1.01 0.00 2.11 2.76 -1.53 -3.15 115.15 116.35 2ee8 h HIS 64 Ca 0.00 -0.59 0.00 0.00 -2.20 0.00 0.00 60.37 57.58 2ee8 h HIS 64 Cb 0.03 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 28.90 2ee8 h HIS 64 CO 0.00 1.43 0.20 0.54 -1.30 0.00 0.00 177.93 178.80 2ee8 n ARG 65 N -3.81 0.09 0.29 5.26 5.12 -0.41 -0.33 116.66 122.87 2ee8 n ARG 65 Ca -0.12 0.55 0.18 0.00 -1.93 0.00 0.00 57.85 56.53 2ee8 n ARG 65 Cb 0.94 -1.99 0.80 0.00 -1.16 0.00 0.00 32.46 31.05 2ee8 n ARG 65 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 2ee8 h TYR 66 N 0.00 0.00 0.00 -1.55 -1.99 -1.68 -2.30 116.97 109.45 2ee8 h TYR 66 Ca 0.00 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.69 2ee8 h TYR 66 Cb 0.39 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.12 2ee8 h TYR 66 CO 0.00 0.03 -0.21 -0.84 -0.00 0.00 0.00 178.16 177.15 2ee8 h ILE 67 N 0.00 0.73 -2.54 -2.88 3.07 -0.91 -3.37 117.51 111.61 2ee8 h ILE 67 Ca -0.00 -0.85 -0.68 0.00 1.55 0.00 0.00 64.86 64.88 2ee8 h ILE 67 Cb 0.39 1.53 -0.17 0.00 -0.27 0.00 0.00 36.82 38.29 2ee8 h ILE 67 CO 0.00 0.20 0.68 -1.00 -1.05 0.00 0.00 178.15 176.99 2ee8 s HIS 68 N -4.07 3.00 0.83 0.16 3.76 -0.87 -5.02 115.29 113.08 2ee8 s HIS 68 Ca -0.02 -1.14 -0.15 0.00 -0.15 0.00 0.00 55.06 53.60 2ee8 s HIS 68 Cb 0.13 -4.25 -0.01 0.00 1.11 0.00 0.00 32.58 29.55 2ee8 s HIS 68 CO 0.63 -1.51 0.42 0.45 -0.85 0.00 0.00 174.74 173.89 2ee8 n SER 69 N 6.80 -1.77 -4.29 1.40 2.88 -1.26 -4.98 113.62 112.40 2ee8 n SER 69 Ca 0.13 0.46 -0.35 0.00 -1.33 0.00 0.00 58.87 57.78 2ee8 n SER 69 Cb 0.47 -1.19 -0.14 0.00 -0.75 0.00 0.00 64.21 62.60 2ee8 n SER 69 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2ee8 s LYS 70 N -3.11 3.23 -0.15 -1.46 2.47 -1.26 -5.08 119.74 114.38 2ee8 s LYS 70 Ca 0.61 -0.73 -0.03 0.00 -1.56 0.00 0.00 55.97 54.26 2ee8 s LYS 70 Cb -0.28 -3.05 0.05 0.00 -1.46 0.00 0.00 37.83 33.08 2ee8 s LYS 70 CO 0.63 -0.27 0.04 -2.00 0.16 0.00 0.00 175.35 173.91 2ee8 s GLU 71 N 1.45 0.46 0.11 4.03 2.12 -1.26 -5.12 118.70 120.48 2ee8 s GLU 71 Ca 0.04 -0.15 -0.31 0.00 0.36 0.00 0.00 54.97 54.91 2ee8 s GLU 71 Cb -0.15 -1.64 -0.08 0.00 0.26 0.00 0.00 34.13 32.52 2ee8 s GLU 71 CO -0.03 -0.54 1.37 0.15 -0.54 0.00 0.00 175.26 175.68 2ee8 s LYS 72 N 1.97 4.33 0.02 4.30 -0.14 -1.26 -4.90 119.74 124.07 2ee8 s LYS 72 Ca 0.02 2.04 0.15 0.00 -1.36 0.00 0.00 55.97 56.82 2ee8 s LYS 72 Cb -0.15 -3.27 0.64 0.00 -1.68 0.00 0.00 37.83 33.36 2ee8 s LYS 72 CO -0.07 -0.43 1.47 -0.35 -0.76 0.00 0.00 175.35 175.22 2ee8 n PRO 73 N 4.01 0.02 -0.70 -1.68 -0.04 -1.26 -3.63 135.00 131.71 2ee8 n PRO 73 Ca 0.11 0.27 -0.05 0.00 -0.04 0.00 0.00 63.50 63.79 2ee8 n PRO 73 Cb 0.43 -1.53 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 2ee8 n PRO 73 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2ee8 n PHE 74 N -1.56 0.08 -3.79 0.54 3.72 -1.26 -4.76 117.46 110.42 2ee8 n PHE 74 Ca 0.03 -1.22 -0.13 0.00 -0.05 0.00 0.00 57.45 56.09 2ee8 n PHE 74 Cb 0.17 -0.90 -0.13 0.00 -0.94 0.00 0.00 39.48 37.68 2ee8 n PHE 74 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2ee8 s LYS 75 N 0.25 0.15 0.88 -1.08 3.01 -1.24 -4.65 119.74 117.07 2ee8 s LYS 75 Ca 0.25 0.27 -0.15 0.00 -1.01 0.00 0.00 55.97 55.33 2ee8 s LYS 75 Cb 0.12 0.00 -0.06 0.00 -1.01 0.00 0.00 37.83 36.88 2ee8 s LYS 75 CO -0.00 -0.07 -0.06 0.00 0.51 0.00 0.00 175.35 175.73 2ee8 n GLN 77 N 0.30 0.74 0.00 0.00 0.00 -1.26 -3.48 117.38 113.67 2ee8 n GLN 77 Ca 0.04 0.08 0.00 0.00 -0.00 0.00 0.00 57.00 57.12 2ee8 n GLN 77 Cb 0.53 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 29.29 2ee8 n GLN 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2ee8 n GLU 78 N -3.00 0.00 -0.08 3.69 -0.58 -1.26 -4.41 120.64 115.00 2ee8 n GLU 78 Ca -0.38 0.51 -0.22 0.00 -0.42 0.00 0.00 57.16 56.65 2ee8 n GLU 78 Cb 1.02 -1.49 -0.12 0.00 -0.57 0.00 0.00 31.44 30.27 2ee8 n GLU 78 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ee8 n GLY 80 N 1.82 0.88 3.16 0.00 0.00 -1.23 -5.04 105.19 104.79 2ee8 n GLY 80 Ca -0.39 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 2ee8 n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ee8 n LYS 81 N -0.27 -1.70 -3.19 1.61 4.76 -1.26 -4.78 118.16 113.32 2ee8 n LYS 81 Ca 0.00 -0.49 -0.34 0.00 -2.87 0.00 0.00 58.31 54.61 2ee8 n LYS 81 Cb 0.22 -1.56 -0.04 0.00 -1.84 0.00 0.00 35.03 31.82 2ee8 n LYS 81 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ee8 n GLY 82 N 2.32 5.08 3.95 0.72 0.00 -1.26 -4.48 105.19 111.52 2ee8 n GLY 82 Ca 0.02 -2.73 -0.28 0.00 0.00 0.00 0.00 46.02 43.03 2ee8 n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ee8 s PHE 83 N -2.76 1.43 0.00 1.61 0.08 -1.26 -5.04 117.98 112.04 2ee8 s PHE 83 Ca 0.37 0.11 0.00 0.00 0.12 0.00 0.00 56.93 57.53 2ee8 s PHE 83 Cb 0.12 -3.87 0.00 0.00 -0.57 0.00 0.00 43.02 38.70 2ee8 s PHE 83 CO 0.02 -2.50 0.00 0.00 -0.10 0.00 0.00 175.22 172.65 2ee8 s GLN 85 N -1.54 2.57 0.03 0.00 1.11 -1.26 -5.05 119.66 115.52 2ee8 s GLN 85 Ca 0.00 -1.31 -0.16 0.00 0.01 0.00 0.00 55.36 53.90 2ee8 s GLN 85 Cb 0.00 -2.33 -0.36 0.00 -1.01 0.00 0.00 33.01 29.31 2ee8 s GLN 85 CO 0.00 0.29 1.01 0.66 0.01 0.00 0.00 175.29 177.26 2ee8 h SER 86 N 1.61 0.86 -0.10 5.90 4.64 -1.98 -3.18 113.55 121.30 2ee8 h SER 86 Ca -0.46 -0.91 0.03 0.00 -0.47 0.00 0.00 61.79 59.98 2ee8 h SER 86 Cb 1.25 -0.28 -0.06 0.00 -0.31 0.00 0.00 62.40 63.00 2ee8 h SER 86 CO 0.61 1.71 -0.49 0.03 -0.87 0.00 0.00 176.83 177.82 2ee8 h ARG 87 N 0.15 -0.53 -0.31 4.77 -0.00 -2.01 -1.60 114.38 114.87 2ee8 h ARG 87 Ca -0.26 0.04 0.05 0.00 -0.50 0.00 0.00 59.98 59.31 2ee8 h ARG 87 Cb 2.17 0.12 -0.05 0.00 0.00 0.00 0.00 29.97 32.21 2ee8 h ARG 87 CO 0.28 -0.35 0.01 1.15 0.00 0.00 0.00 179.97 181.06 2ee8 h THR 88 N -0.55 0.79 -1.07 2.04 2.02 -2.01 -1.47 112.91 112.66 2ee8 h THR 88 Ca 0.02 -0.04 0.31 0.00 0.77 0.00 0.00 66.41 67.48 2ee8 h THR 88 Cb 0.63 0.68 -0.12 0.00 -1.74 0.00 0.00 68.15 67.59 2ee8 h THR 88 CO -0.38 0.02 0.66 0.25 0.37 0.00 0.00 175.52 176.44 2ee8 h LEU 89 N 0.11 0.47 0.57 2.58 5.85 -1.38 -0.07 115.31 123.44 2ee8 h LEU 89 Ca 0.15 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 2ee8 h LEU 89 Cb 0.19 0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.30 2ee8 h LEU 89 CO -0.24 -0.03 -0.27 0.00 -0.34 0.00 0.00 178.44 177.57 2ee8 h ALA 90 N 1.71 -0.76 -0.77 1.25 0.00 -0.32 -3.00 119.26 117.37 2ee8 h ALA 90 Ca 0.69 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.55 2ee8 h ALA 90 Cb 1.70 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 19.74 2ee8 h ALA 90 CO -0.44 -0.81 0.51 0.28 0.00 0.00 0.00 179.25 178.78 2ee8 h VAL 91 N -0.99 0.80 -0.08 0.00 2.07 -0.98 0.13 116.25 117.19 2ee8 h VAL 91 Ca -0.08 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2ee8 h VAL 91 Cb 0.65 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2ee8 h VAL 91 CO 0.13 0.08 0.05 -0.74 0.02 0.00 0.00 177.57 177.11 2ee8 h HIS 92 N 0.44 0.10 -0.12 1.57 6.17 -0.94 -1.18 115.15 121.18 2ee8 h HIS 92 Ca 0.38 0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.44 2ee8 h HIS 92 Cb 0.84 -0.03 -0.01 0.00 2.52 0.00 0.00 27.41 30.73 2ee8 h HIS 92 CO -0.00 0.07 -0.04 0.87 0.71 0.00 0.00 177.93 179.53 2ee8 h LYS 93 N 0.11 0.18 0.00 5.26 1.79 -0.64 -1.53 116.57 121.74 2ee8 h LYS 93 Ca 0.03 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2ee8 h LYS 93 Cb -0.01 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.61 2ee8 h LYS 93 CO -0.01 0.24 -0.04 1.79 -1.08 0.00 0.00 179.45 180.35 2ee8 h THR 94 N 0.18 0.43 0.00 -0.16 1.35 -1.28 0.19 112.91 113.62 2ee8 h THR 94 Ca 0.04 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2ee8 h THR 94 Cb 0.20 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 2ee8 h THR 94 CO 0.01 0.04 0.00 0.18 -0.25 0.00 0.00 175.52 175.50 2ee8 n LEU 95 N -3.62 0.12 -1.98 3.87 4.77 -0.58 -3.09 117.00 116.49 2ee8 n LEU 95 Ca -0.02 0.51 -0.13 0.00 -0.03 0.00 0.00 56.01 56.34 2ee8 n LEU 95 Cb 0.14 -0.48 0.22 0.00 -2.33 0.00 0.00 43.42 40.96 2ee8 n LEU 95 CO 0.27 -0.08 1.08 1.41 -1.33 0.00 0.00 177.39 178.74 2ee8 n HIS 96 N -1.62 2.46 -2.64 -1.77 8.25 0.05 -4.95 115.22 115.01 2ee8 n HIS 96 Ca 0.06 -1.39 -0.23 0.00 -0.26 0.00 0.00 57.72 55.91 2ee8 n HIS 96 Cb 0.32 -0.75 0.09 0.00 1.12 0.00 0.00 29.99 30.77 2ee8 n HIS 96 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ee8 s MET 97 N -2.80 1.85 -0.12 -0.41 0.23 -1.18 -5.11 119.30 111.76 2ee8 s MET 97 Ca 0.50 -1.12 -0.04 0.00 -1.03 0.00 0.00 55.69 53.99 2ee8 s MET 97 Cb 0.41 -2.38 0.06 0.00 -1.53 0.00 0.00 34.83 31.38 2ee8 s MET 97 CO 0.11 -1.29 0.24 -1.14 -2.03 0.00 0.00 175.02 170.90 2ee8 s GLN 98 N -5.05 0.13 -0.09 3.16 0.74 -1.26 -5.15 119.66 112.14 2ee8 s GLN 98 Ca 0.65 0.69 -0.10 0.00 0.05 0.00 0.00 55.36 56.65 2ee8 s GLN 98 Cb -0.06 -0.09 -0.05 0.00 1.10 0.00 0.00 33.01 33.92 2ee8 s GLN 98 CO 0.43 -0.28 0.22 0.99 -0.55 0.00 0.00 175.29 176.10 2ee8 s THR 99 N 2.27 5.37 -0.17 -0.34 2.01 -1.26 -5.08 115.64 118.44 2ee8 s THR 99 Ca 0.00 0.39 -0.04 0.00 0.31 0.00 0.00 61.69 62.36 2ee8 s THR 99 Cb -0.12 -3.50 0.07 0.00 0.01 0.00 0.00 72.50 68.97 2ee8 s THR 99 CO -0.08 0.59 0.17 -0.55 -0.69 0.00 0.00 174.62 174.06 2ee8 s SER 100 N -0.90 1.49 -0.25 3.53 0.15 -1.26 -5.13 113.70 111.33 2ee8 s SER 100 Ca 0.17 -0.20 -0.07 0.00 0.70 0.00 0.00 55.95 56.54 2ee8 s SER 100 Cb -0.13 0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 64.35 2ee8 s SER 100 CO 0.06 -0.32 0.07 -0.94 1.20 0.00 0.00 173.24 173.31 2ee8 s SER 101 N 2.27 5.10 0.90 5.45 1.04 -1.26 -5.10 113.70 122.09 2ee8 s SER 101 Ca 0.05 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2ee8 s SER 101 Cb -0.15 -1.91 0.00 0.00 0.10 0.00 0.00 66.02 64.06 2ee8 s SER 101 CO -0.10 -0.05 0.00 -0.81 0.98 0.00 0.00 173.24 173.26 2ee8 n PRO 102 N 4.92 -0.81 -3.64 4.02 -0.04 -1.26 -5.10 135.00 133.08 2ee8 n PRO 102 Ca -0.16 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.21 2ee8 n PRO 102 Cb 0.51 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.90 2ee8 n PRO 102 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2ee8 s THR 103 N -0.90 0.00 0.33 0.52 2.01 -1.26 -5.18 115.64 111.16 2ee8 s THR 103 Ca 0.00 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.82 2ee8 s THR 103 Cb 0.00 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.55 2ee8 s THR 103 CO 0.00 0.00 0.75 0.00 -0.69 0.00 0.00 174.62 174.68 2ee8 s ALA 104 N 0.86 -0.98 0.34 7.40 0.00 -1.26 -5.19 121.76 122.92 2ee8 s ALA 104 Ca -0.04 -0.52 0.07 0.00 0.00 0.00 0.00 51.96 51.47 2ee8 s ALA 104 Cb -0.05 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 2ee8 s ALA 104 CO -0.09 -1.01 0.31 0.00 0.00 0.00 0.00 175.76 174.96 2ee8 s ALA 105 N -3.18 1.78 0.00 0.00 0.00 -1.26 -5.37 121.76 113.73 2ee8 s ALA 105 Ca 0.13 -2.04 0.00 0.00 0.00 0.00 0.00 51.96 50.05 2ee8 s ALA 105 Cb -0.06 1.45 0.00 0.00 0.00 0.00 0.00 23.12 24.51 2ee8 s ALA 105 CO 0.09 -0.68 0.00 -1.13 0.00 0.00 0.00 175.76 174.04