#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 -0.17 0.02 1.61 0.15 -1.26 -5.19 113.70 108.86 2ee8 s SER 2 Ca 0.00 -0.03 -0.28 0.00 0.70 0.00 0.00 55.95 56.34 2ee8 s SER 2 Cb 0.00 0.20 0.10 0.00 -1.71 0.00 0.00 66.02 64.61 2ee8 s SER 2 CO 0.00 -0.33 1.24 -0.55 1.20 0.00 0.00 173.24 174.80 2ee8 s SER 3 N -2.35 -0.01 0.00 5.45 0.15 -1.26 -5.19 113.70 110.49 2ee8 s SER 3 Ca 0.09 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.48 2ee8 s SER 3 Cb -0.00 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 2ee8 s SER 3 CO -0.05 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.58 2ee8 n GLY 4 N -0.77 2.43 3.59 9.45 0.00 -1.26 -5.19 105.19 113.44 2ee8 n GLY 4 Ca -0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 -0.19 0.17 1.61 0.01 -1.26 -5.19 113.70 108.85 2ee8 s SER 5 Ca 0.00 -0.07 -0.23 0.00 1.31 0.00 0.00 55.95 56.96 2ee8 s SER 5 Cb 0.00 0.26 0.08 0.00 0.21 0.00 0.00 66.02 66.56 2ee8 s SER 5 CO 0.00 -0.44 1.03 -0.44 0.41 0.00 0.00 173.24 173.80 2ee8 s SER 6 N -2.50 -0.03 0.00 2.44 0.01 -1.26 -5.19 113.70 107.16 2ee8 s SER 6 Ca 0.09 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.75 2ee8 s SER 6 Cb -0.00 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.72 2ee8 s SER 6 CO -0.05 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.25 2ee8 n GLY 7 N -0.65 -1.00 0.00 3.44 0.00 -1.26 -5.16 105.19 100.56 2ee8 n GLY 7 Ca -0.04 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2ee8 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ee8 n GLY 8 N -0.08 2.32 3.23 -0.02 0.00 -1.26 -5.19 105.19 104.19 2ee8 n GLY 8 Ca 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 2ee8 n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ee8 s ARG 9 N -0.53 1.05 -0.23 1.61 0.52 -1.26 -5.15 118.95 114.96 2ee8 s ARG 9 Ca 0.00 -1.38 -0.03 0.00 -0.52 0.00 0.00 55.73 53.80 2ee8 s ARG 9 Cb 0.00 0.29 0.11 0.00 0.52 0.00 0.00 34.95 35.88 2ee8 s ARG 9 CO 0.00 -0.34 0.28 -0.51 0.02 0.00 0.00 175.30 174.75 2ee8 s LEU 10 N -3.04 -0.27 1.21 2.53 1.43 -1.26 -5.16 118.68 114.13 2ee8 s LEU 10 Ca 0.24 -0.24 -0.19 0.00 -1.03 0.00 0.00 54.13 52.91 2ee8 s LEU 10 Cb 0.06 0.59 0.29 0.00 0.03 0.00 0.00 46.19 47.16 2ee8 s LEU 10 CO 0.03 -0.33 1.11 -2.16 0.23 0.00 0.00 176.35 175.23 2ee8 s PRO 11 N 2.39 -1.28 -0.19 1.29 0.04 -1.26 -5.09 135.00 130.90 2ee8 s PRO 11 Ca 0.09 -0.09 -0.14 0.00 0.04 0.00 0.00 61.00 60.90 2ee8 s PRO 11 Cb -0.15 -1.59 0.05 0.00 0.04 0.00 0.00 34.50 32.85 2ee8 s PRO 11 CO -0.18 -3.75 0.48 -1.54 0.04 0.00 0.00 177.00 172.06 2ee8 s SER 12 N -3.91 -0.56 0.06 6.66 1.04 -1.26 -5.17 113.70 110.56 2ee8 s SER 12 Ca 0.71 1.01 -0.03 0.00 0.48 0.00 0.00 55.95 58.12 2ee8 s SER 12 Cb -0.09 0.97 -0.03 0.00 0.10 0.00 0.00 66.02 66.97 2ee8 s SER 12 CO 0.56 -0.18 0.04 -1.59 0.98 0.00 0.00 173.24 173.04 2ee8 s LYS 13 N 0.77 0.67 -0.18 4.02 0.00 -1.26 -5.15 119.74 118.60 2ee8 s LYS 13 Ca -0.04 -1.11 -0.04 0.00 0.00 0.00 0.00 55.97 54.78 2ee8 s LYS 13 Cb -0.05 0.24 0.06 0.00 0.00 0.00 0.00 37.83 38.08 2ee8 s LYS 13 CO -0.06 -0.15 0.06 0.95 0.00 0.00 0.00 175.35 176.15 2ee8 s THR 14 N -3.77 0.25 0.07 3.79 -4.23 -1.26 -5.13 115.64 105.36 2ee8 s THR 14 Ca 0.05 -0.37 -0.08 0.00 -1.18 0.00 0.00 61.69 60.12 2ee8 s THR 14 Cb 0.06 -0.82 -0.01 0.00 1.34 0.00 0.00 72.50 73.08 2ee8 s THR 14 CO -0.10 -0.23 0.15 -0.54 -0.54 0.00 0.00 174.62 173.37 2ee8 s LYS 15 N 1.98 0.76 -0.45 3.99 1.02 -1.26 -5.13 119.74 120.66 2ee8 s LYS 15 Ca 0.00 -0.91 0.03 0.00 0.02 0.00 0.00 55.97 55.11 2ee8 s LYS 15 Cb -0.16 0.30 0.13 0.00 -0.52 0.00 0.00 37.83 37.58 2ee8 s LYS 15 CO -0.08 -0.22 0.22 0.15 -0.92 0.00 0.00 175.35 174.49 2ee8 s LYS 16 N -3.50 1.50 0.12 1.68 3.01 -1.26 -5.09 119.74 116.21 2ee8 s LYS 16 Ca 0.02 -2.14 -0.04 0.00 -1.01 0.00 0.00 55.97 52.80 2ee8 s LYS 16 Cb 0.04 -2.74 -0.03 0.00 -1.01 0.00 0.00 37.83 34.09 2ee8 s LYS 16 CO -0.09 -1.11 0.11 -1.21 0.51 0.00 0.00 175.35 173.57 2ee8 s GLU 17 N 0.28 0.91 -0.13 1.68 0.41 -1.26 -5.16 118.70 115.43 2ee8 s GLU 17 Ca 0.16 -1.27 -0.04 0.00 -0.41 0.00 0.00 54.97 53.41 2ee8 s GLU 17 Cb -0.24 0.28 -0.04 0.00 -1.78 0.00 0.00 34.13 32.36 2ee8 s GLU 17 CO -0.02 -0.27 0.02 -0.06 -0.49 0.00 0.00 175.26 174.44 2ee8 s PHE 18 N -3.98 3.20 -0.05 1.61 0.08 -1.26 -5.10 117.98 112.48 2ee8 s PHE 18 Ca 0.17 0.08 0.02 0.00 0.12 0.00 0.00 56.93 57.32 2ee8 s PHE 18 Cb 0.06 -1.93 0.01 0.00 -0.57 0.00 0.00 43.02 40.59 2ee8 s PHE 18 CO -0.03 0.28 -0.11 0.42 -0.10 0.00 0.00 175.22 175.69 2ee8 s ILE 19 N -0.23 0.97 1.02 0.64 1.01 -1.26 -3.71 121.20 119.65 2ee8 s ILE 19 Ca 0.06 -0.41 -0.22 0.00 0.00 0.00 0.00 60.65 60.08 2ee8 s ILE 19 Cb -0.12 -0.89 -0.09 0.00 0.01 0.00 0.00 42.46 41.37 2ee8 s ILE 19 CO 0.02 0.31 -0.83 0.00 0.00 0.00 0.00 174.94 174.44 2ee8 n LYS 21 N 0.96 2.47 0.08 0.00 2.85 -1.26 -3.72 118.16 119.54 2ee8 n LYS 21 Ca -0.00 0.01 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 2ee8 n LYS 21 Cb 0.66 -1.11 -0.08 0.00 -0.65 0.00 0.00 35.03 33.85 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 -0.20 0.00 5.58 0.04 -1.99 -3.38 116.94 116.98 2ee8 h PHE 22 Ca -0.12 -0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.40 2ee8 h PHE 22 Cb 1.25 0.07 -0.05 0.00 2.20 0.00 0.00 35.95 39.42 2ee8 h PHE 22 CO 0.00 0.13 -1.94 0.00 -0.60 0.00 0.00 178.31 175.91 2ee8 n GLY 24 N 2.55 1.76 3.78 0.00 0.00 -1.24 -5.04 105.19 107.00 2ee8 n GLY 24 Ca -0.27 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.34 3.48 0.13 1.61 6.06 -1.26 -4.63 118.95 123.00 2ee8 s ARG 25 Ca 0.00 1.49 0.04 0.00 -2.50 0.00 0.00 55.73 54.75 2ee8 s ARG 25 Cb 0.00 -2.04 -0.04 0.00 0.06 0.00 0.00 34.95 32.94 2ee8 s ARG 25 CO 0.00 -0.72 0.16 -1.01 -2.50 0.00 0.00 175.30 171.23 2ee8 s HIS 26 N -1.92 3.25 0.03 5.12 3.76 -1.26 -1.20 115.29 123.07 2ee8 s HIS 26 Ca 0.70 0.05 -0.11 0.00 -0.15 0.00 0.00 55.06 55.55 2ee8 s HIS 26 Cb -0.21 -1.59 0.01 0.00 1.11 0.00 0.00 32.58 31.91 2ee8 s HIS 26 CO 0.26 0.53 0.23 -0.06 -0.85 0.00 0.00 174.74 174.84 2ee8 s PHE 27 N -1.64 -0.01 -0.13 1.40 0.40 -1.24 -5.01 117.98 111.75 2ee8 s PHE 27 Ca 0.32 -0.15 0.04 0.00 -0.60 0.00 0.00 56.93 56.53 2ee8 s PHE 27 Cb -0.11 0.01 -0.23 0.00 0.51 0.00 0.00 43.02 43.20 2ee8 s PHE 27 CO 0.24 -0.43 0.31 2.41 0.70 0.00 0.00 175.22 178.45 2ee8 n THR 28 N 0.80 1.63 -4.12 0.64 -1.04 -1.26 -4.56 114.28 106.37 2ee8 n THR 28 Ca -0.19 -0.71 -0.35 0.00 -2.04 0.00 0.00 64.05 60.76 2ee8 n THR 28 Cb 0.58 -1.30 -0.09 0.00 -1.82 0.00 0.00 70.33 67.70 2ee8 n THR 28 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2ee8 s LYS 29 N -2.55 3.62 0.23 -2.82 2.36 -1.26 -5.00 119.74 114.31 2ee8 s LYS 29 Ca -0.18 -0.35 -0.06 0.00 -2.55 0.00 0.00 55.97 52.84 2ee8 s LYS 29 Cb 0.07 -3.07 0.41 0.00 -1.05 0.00 0.00 37.83 34.19 2ee8 s LYS 29 CO 0.76 0.46 1.72 1.03 1.55 0.00 0.00 175.35 180.87 2ee8 h SER 30 N 6.04 0.20 0.08 1.43 0.87 -1.97 -2.09 113.55 118.11 2ee8 h SER 30 Ca -0.43 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.24 2ee8 h SER 30 Cb 1.18 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2ee8 h SER 30 CO 0.64 0.08 -0.04 0.22 -0.53 0.00 0.00 176.83 177.20 2ee8 h TYR 31 N 0.39 -0.10 -1.63 2.24 5.03 -2.01 -2.82 116.97 118.07 2ee8 h TYR 31 Ca 0.38 -0.00 0.47 0.00 2.58 0.00 0.00 58.73 62.17 2ee8 h TYR 31 Cb 0.58 0.03 -0.07 0.00 1.55 0.00 0.00 36.73 38.82 2ee8 h TYR 31 CO -0.19 0.19 1.19 -0.91 -1.32 0.00 0.00 178.16 177.12 2ee8 h ASN 32 N -0.40 0.00 0.11 -2.11 2.35 -1.80 0.37 115.58 114.10 2ee8 h ASN 32 Ca -0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2ee8 h ASN 32 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2ee8 h ASN 32 CO 0.02 0.00 -0.05 0.25 -1.65 0.00 0.00 177.43 176.00 2ee8 h LEU 33 N 0.00 -0.12 -0.94 1.61 5.85 -1.22 -3.21 115.31 117.28 2ee8 h LEU 33 Ca 0.78 -0.38 0.12 0.00 0.84 0.00 0.00 57.88 59.24 2ee8 h LEU 33 Cb 3.14 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 44.12 2ee8 h LEU 33 CO -0.01 0.35 0.57 0.17 -0.34 0.00 0.00 178.44 179.18 2ee8 h LEU 34 N -0.63 0.80 -1.99 2.25 8.10 -0.30 0.12 115.31 123.66 2ee8 h LEU 34 Ca -0.01 0.06 0.22 0.00 0.11 0.00 0.00 57.88 58.25 2ee8 h LEU 34 Cb 0.50 -0.10 -0.03 0.00 -0.44 0.00 0.00 40.66 40.59 2ee8 h LEU 34 CO 0.02 0.41 0.56 0.40 -4.11 0.00 0.00 178.44 175.72 2ee8 h ILE 35 N 0.88 0.59 0.00 0.15 2.04 -1.41 -2.36 117.51 117.39 2ee8 h ILE 35 Ca 0.48 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 66.07 2ee8 h ILE 35 Cb 0.52 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 2ee8 h ILE 35 CO -0.29 0.00 -1.59 1.57 0.00 0.00 0.00 178.15 177.84 2ee8 n HIS 36 N -4.25 0.61 -0.04 1.37 -0.00 0.20 -4.20 115.22 108.90 2ee8 n HIS 36 Ca 0.15 0.26 0.21 0.00 -0.00 0.00 0.00 57.72 58.34 2ee8 n HIS 36 Cb 0.84 -0.99 0.38 0.00 -0.00 0.00 0.00 29.99 30.21 2ee8 n HIS 36 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 2ee8 h GLU 37 N -1.00 0.00 -0.26 1.57 5.08 -0.58 0.77 114.58 120.17 2ee8 h GLU 37 Ca -0.41 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.93 2ee8 h GLU 37 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2ee8 h GLU 37 CO -0.25 0.00 0.08 0.07 -1.00 0.00 0.00 179.01 177.92 2ee8 h ARG 38 N 0.00 0.40 0.00 2.33 0.11 -1.60 -2.26 114.38 113.35 2ee8 h ARG 38 Ca 0.34 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 60.33 2ee8 h ARG 38 Cb 2.48 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 33.50 2ee8 h ARG 38 CO -0.00 0.47 0.33 0.00 0.10 0.00 0.00 179.97 180.86 2ee8 h THR 39 N 0.25 0.00 -0.51 0.08 1.03 0.34 -0.24 112.91 113.87 2ee8 h THR 39 Ca 0.08 0.00 -0.31 0.00 -0.01 0.00 0.00 66.41 66.17 2ee8 h THR 39 Cb 0.23 0.63 -0.15 0.00 -1.07 0.00 0.00 68.15 67.79 2ee8 h THR 39 CO -0.00 0.00 0.40 1.41 -0.01 0.00 0.00 175.52 177.32 2ee8 n HIS 40 N -2.80 1.61 -3.79 0.00 8.25 -0.85 -4.79 115.22 112.85 2ee8 n HIS 40 Ca -0.02 -1.70 -0.25 0.00 -0.26 0.00 0.00 57.72 55.49 2ee8 n HIS 40 Cb 0.37 -0.84 -0.17 0.00 1.12 0.00 0.00 29.99 30.48 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 -2.14 0.54 -0.20 1.59 -4.23 -0.10 -5.10 115.64 106.00 2ee8 s THR 41 Ca 0.31 -0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 60.67 2ee8 s THR 41 Cb 0.25 -0.76 -0.01 0.00 1.34 0.00 0.00 72.50 73.33 2ee8 s THR 41 CO 0.02 0.17 -0.07 -1.81 -0.54 0.00 0.00 174.62 172.39 2ee8 s ASP 42 N 1.89 4.21 -0.23 3.99 1.11 -1.26 -4.98 116.67 121.41 2ee8 s ASP 42 Ca 0.03 -0.37 -0.05 0.00 0.18 0.00 0.00 52.55 52.35 2ee8 s ASP 42 Cb -0.13 -1.70 -0.12 0.00 1.07 0.00 0.00 42.92 42.03 2ee8 s ASP 42 CO -0.06 0.03 -0.24 -1.84 1.18 0.00 0.00 175.17 174.23 2ee8 n GLU 43 N 4.44 0.52 -3.84 8.23 0.28 -1.26 -4.85 120.64 124.16 2ee8 n GLU 43 Ca -0.18 0.17 -0.34 0.00 -0.16 0.00 0.00 57.16 56.65 2ee8 n GLU 43 Cb 0.51 -1.38 -0.12 0.00 1.43 0.00 0.00 31.44 31.88 2ee8 n GLU 43 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2ee8 s ARG 44 N -2.43 2.13 0.00 3.44 0.52 -1.26 -4.93 118.95 116.42 2ee8 s ARG 44 Ca -0.31 -2.33 0.14 0.00 -0.52 0.00 0.00 55.73 52.71 2ee8 s ARG 44 Cb 0.10 -3.51 0.64 0.00 0.52 0.00 0.00 34.95 32.71 2ee8 s ARG 44 CO 0.46 -1.10 1.44 -0.35 0.02 0.00 0.00 175.30 175.77 2ee8 n PRO 45 N 3.69 0.05 -0.75 3.54 -0.04 -1.26 -3.76 135.00 136.47 2ee8 n PRO 45 Ca 0.05 0.23 -0.07 0.00 -0.04 0.00 0.00 63.50 63.67 2ee8 n PRO 45 Cb 0.37 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.24 2ee8 n PRO 45 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ee8 n TYR 46 N -1.45 0.00 -3.28 0.54 4.02 -1.26 -4.87 117.16 110.87 2ee8 n TYR 46 Ca 0.04 -1.22 -0.39 0.00 -0.01 0.00 0.00 57.90 56.33 2ee8 n TYR 46 Cb 0.15 -1.09 -0.07 0.00 -0.02 0.00 0.00 39.34 38.32 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 0.68 5.14 1.23 -0.72 2.01 -1.25 -3.28 115.64 119.46 2ee8 s THR 47 Ca 0.37 0.93 -0.20 0.00 0.31 0.00 0.00 61.69 63.09 2ee8 s THR 47 Cb 0.17 -3.82 0.32 0.00 0.01 0.00 0.00 72.50 69.18 2ee8 s THR 47 CO 0.00 0.23 0.76 0.00 -0.69 0.00 0.00 174.62 174.92 2ee8 n ASP 49 N -5.32 0.17 0.00 0.00 9.92 -1.26 -4.26 116.55 115.80 2ee8 n ASP 49 Ca 0.12 0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 2ee8 n ASP 49 Cb 0.51 1.15 0.00 0.00 -0.64 0.00 0.00 41.12 42.14 2ee8 n ASP 49 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2ee8 n ILE 50 N -2.62 0.00 0.04 0.53 5.41 -1.26 -4.71 119.36 116.75 2ee8 n ILE 50 Ca -0.19 0.05 0.03 0.00 1.00 0.00 0.00 62.75 63.64 2ee8 n ILE 50 Cb 0.91 -0.89 0.15 0.00 -0.71 0.00 0.00 39.64 39.11 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 -1.69 -1.07 -1.58 0.00 1.44 -1.26 -4.88 115.22 106.18 2ee8 n HIS 52 Ca -0.00 0.61 -0.30 0.00 -2.01 0.00 0.00 57.72 56.02 2ee8 n HIS 52 Cb 0.02 -1.87 0.20 0.00 0.12 0.00 0.00 29.99 28.45 2ee8 n HIS 52 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2ee8 s LYS 53 N -6.75 0.04 -0.17 -1.40 1.02 -1.26 -4.58 119.74 106.64 2ee8 s LYS 53 Ca 0.60 -0.19 0.01 0.00 0.02 0.00 0.00 55.97 56.41 2ee8 s LYS 53 Cb -0.35 -1.76 0.01 0.00 -0.52 0.00 0.00 37.83 35.22 2ee8 s LYS 53 CO 0.93 -2.85 -0.19 0.00 -0.92 0.00 0.00 175.35 172.33 2ee8 s ALA 54 N -3.49 2.37 0.38 5.17 0.00 -1.26 -3.33 121.76 121.60 2ee8 s ALA 54 Ca 0.71 -1.17 0.08 0.00 0.00 0.00 0.00 51.96 51.58 2ee8 s ALA 54 Cb -0.07 -1.19 -0.06 0.00 0.00 0.00 0.00 23.12 21.80 2ee8 s ALA 54 CO 0.54 -0.25 0.08 -0.06 0.00 0.00 0.00 175.76 176.06 2ee8 s PHE 55 N 1.15 2.57 -0.15 0.00 0.40 -1.21 -5.07 117.98 115.68 2ee8 s PHE 55 Ca 0.01 -0.53 -0.04 0.00 -0.60 0.00 0.00 56.93 55.78 2ee8 s PHE 55 Cb -0.14 -1.72 -0.08 0.00 0.51 0.00 0.00 43.02 41.59 2ee8 s PHE 55 CO -0.08 0.36 -0.17 2.89 0.70 0.00 0.00 175.22 178.91 2ee8 n ARG 56 N -1.07 0.35 -4.05 0.44 1.85 -1.26 -4.73 116.66 108.18 2ee8 n ARG 56 Ca -0.03 0.12 -0.23 0.00 -1.00 0.00 0.00 57.85 56.71 2ee8 n ARG 56 Cb 0.64 -1.17 -0.04 0.00 -1.05 0.00 0.00 32.46 30.85 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 -2.29 3.13 -0.02 2.89 0.52 -1.26 -5.07 118.95 116.85 2ee8 s ARG 57 Ca -0.21 -0.90 -0.06 0.00 -0.52 0.00 0.00 55.73 54.05 2ee8 s ARG 57 Cb 0.07 -2.71 -0.03 0.00 0.52 0.00 0.00 34.95 32.80 2ee8 s ARG 57 CO 0.30 0.43 0.44 1.96 0.02 0.00 0.00 175.30 178.45 2ee8 h GLN 58 N 1.57 -0.19 -0.73 3.54 4.20 -1.99 -3.01 115.11 118.50 2ee8 h GLN 58 Ca -0.49 0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.39 2ee8 h GLN 58 Cb 1.23 0.04 -0.14 0.00 0.30 0.00 0.00 27.48 28.91 2ee8 h GLN 58 CO 0.62 -0.13 -0.11 -3.47 -0.67 0.00 0.00 178.83 175.07 2ee8 n ASP 59 N -3.27 -0.20 -0.22 1.46 2.03 -1.26 0.23 116.55 115.32 2ee8 n ASP 59 Ca -0.02 1.25 -0.05 0.00 0.52 0.00 0.00 54.79 56.49 2ee8 n ASP 59 Cb 0.08 -0.41 0.05 0.00 -0.72 0.00 0.00 41.12 40.12 2ee8 n ASP 59 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2ee8 h HIS 60 N 0.00 0.77 -0.48 -0.67 3.86 -1.99 0.11 115.15 116.74 2ee8 h HIS 60 Ca 0.38 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.50 2ee8 h HIS 60 Cb 0.67 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 2ee8 h HIS 60 CO -0.50 0.46 -0.16 1.25 0.86 0.00 0.00 177.93 179.84 2ee8 h LEU 61 N 0.82 0.95 0.42 2.43 5.85 0.31 -1.31 115.31 124.77 2ee8 h LEU 61 Ca 0.24 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 2ee8 h LEU 61 Cb -0.04 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.73 2ee8 h LEU 61 CO -0.07 1.09 -0.20 0.03 -0.34 0.00 0.00 178.44 178.95 2ee8 h ARG 62 N 0.83 -0.55 -0.14 1.25 3.08 -0.11 -2.80 114.38 115.95 2ee8 h ARG 62 Ca 0.12 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.25 2ee8 h ARG 62 Cb 0.71 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 2ee8 h ARG 62 CO 0.05 -0.36 0.26 0.22 -1.07 0.00 0.00 179.97 179.07 2ee8 h ASP 63 N -0.79 0.00 -0.14 7.04 3.58 -0.88 0.53 116.42 125.75 2ee8 h ASP 63 Ca -0.06 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.25 2ee8 h ASP 63 Cb 0.43 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2ee8 h ASP 63 CO 0.10 0.00 -0.42 -0.74 -2.88 0.00 0.00 179.24 175.30 2ee8 h HIS 64 N 0.00 0.82 0.00 0.28 2.76 -1.13 -2.88 115.15 114.99 2ee8 h HIS 64 Ca 0.06 -0.25 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 2ee8 h HIS 64 Cb 0.57 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.36 2ee8 h HIS 64 CO 0.00 0.98 0.50 0.00 -1.30 0.00 0.00 177.93 178.12 2ee8 h ARG 65 N 0.55 0.00 -0.25 5.26 2.47 -0.61 -0.25 114.38 121.55 2ee8 h ARG 65 Ca 0.04 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.79 2ee8 h ARG 65 Cb 0.96 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.25 2ee8 h ARG 65 CO 0.09 0.00 0.07 -0.92 0.56 0.00 0.00 179.97 179.76 2ee8 h TYR 66 N 0.00 0.11 -0.62 3.04 3.20 -1.65 -1.08 116.97 119.98 2ee8 h TYR 66 Ca 0.00 0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.06 2ee8 h TYR 66 Cb 1.01 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.24 2ee8 h TYR 66 CO 0.00 0.04 0.80 -0.84 -1.64 0.00 0.00 178.16 176.52 2ee8 h ILE 67 N 0.17 0.16 -1.70 1.81 3.07 -1.27 0.18 117.51 119.93 2ee8 h ILE 67 Ca 0.11 0.00 -0.74 0.00 1.55 0.00 0.00 64.86 65.79 2ee8 h ILE 67 Cb 0.10 0.34 -0.27 0.00 -0.27 0.00 0.00 36.82 36.72 2ee8 h ILE 67 CO -0.14 0.00 1.00 1.41 -1.05 0.00 0.00 178.15 179.38 2ee8 n HIS 68 N -3.38 3.02 -0.04 0.16 8.25 -0.41 -4.41 115.22 118.41 2ee8 n HIS 68 Ca 0.13 -2.51 -0.09 0.00 -0.26 0.00 0.00 57.72 55.00 2ee8 n HIS 68 Cb 1.01 -1.27 -0.03 0.00 1.12 0.00 0.00 29.99 30.82 2ee8 n HIS 68 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2ee8 n SER 69 N -0.61 0.78 -4.55 0.41 3.41 0.63 -5.02 113.62 108.67 2ee8 n SER 69 Ca 0.56 0.09 -0.29 0.00 -0.26 0.00 0.00 58.87 58.97 2ee8 n SER 69 Cb 0.35 -0.24 0.22 0.00 -0.26 0.00 0.00 64.21 64.29 2ee8 n SER 69 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2ee8 s LYS 70 N -2.15 -0.27 -0.36 4.33 0.00 -1.26 -4.73 119.74 115.29 2ee8 s LYS 70 Ca -0.12 1.05 -0.34 0.00 0.00 0.00 0.00 55.97 56.57 2ee8 s LYS 70 Cb 0.04 -1.61 -0.14 0.00 0.00 0.00 0.00 37.83 36.12 2ee8 s LYS 70 CO 0.15 -3.35 1.21 -0.85 0.00 0.00 0.00 175.35 172.51 2ee8 n GLU 71 N -4.68 0.00 -2.60 1.78 0.28 -1.26 -4.85 120.64 109.31 2ee8 n GLU 71 Ca 0.06 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.69 2ee8 n GLU 71 Cb 0.54 -1.08 -0.05 0.00 1.43 0.00 0.00 31.44 32.28 2ee8 n GLU 71 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2ee8 s LYS 72 N 2.48 4.29 0.06 3.44 1.02 -1.26 -4.93 119.74 124.83 2ee8 s LYS 72 Ca 0.77 1.48 0.16 0.00 0.02 0.00 0.00 55.97 58.40 2ee8 s LYS 72 Cb -1.08 -2.63 0.69 0.00 -0.52 0.00 0.00 37.83 34.29 2ee8 s LYS 72 CO 0.57 -0.02 1.51 -0.35 -0.92 0.00 0.00 175.35 176.14 2ee8 n PRO 73 N 0.13 0.04 -1.15 -1.68 -0.04 -1.26 -4.81 135.00 126.24 2ee8 n PRO 73 Ca 0.04 0.29 -0.27 0.00 -0.04 0.00 0.00 63.50 63.52 2ee8 n PRO 73 Cb 0.50 -1.58 -0.13 0.00 -0.04 0.00 0.00 33.50 32.24 2ee8 n PRO 73 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2ee8 n PHE 74 N -1.66 0.29 -4.39 0.54 7.35 -1.26 -4.86 117.46 113.48 2ee8 n PHE 74 Ca 0.03 0.20 -0.30 0.00 -0.76 0.00 0.00 57.45 56.62 2ee8 n PHE 74 Cb 0.18 -1.37 -0.11 0.00 0.35 0.00 0.00 39.48 38.53 2ee8 n PHE 74 CO 0.00 0.00 0.00 -1.59 -0.76 0.00 0.00 176.76 174.41 2ee8 s LYS 75 N 6.42 2.07 0.76 -4.13 -2.85 -1.26 -4.99 119.74 115.76 2ee8 s LYS 75 Ca 1.03 -1.02 -0.17 0.00 -1.00 0.00 0.00 55.97 54.82 2ee8 s LYS 75 Cb -0.87 -2.25 -0.15 0.00 -2.06 0.00 0.00 37.83 32.51 2ee8 s LYS 75 CO 0.39 0.52 -0.49 0.00 0.10 0.00 0.00 175.35 175.87 2ee8 n GLN 77 N 2.01 1.27 0.00 0.00 7.27 -1.26 -3.79 117.38 122.88 2ee8 n GLN 77 Ca 0.02 -0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.05 2ee8 n GLN 77 Cb 0.51 -1.38 0.00 0.00 2.41 0.00 0.00 30.24 31.77 2ee8 n GLN 77 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2ee8 n GLU 78 N -2.42 0.00 0.01 3.69 4.71 -1.26 -4.58 120.64 120.79 2ee8 n GLU 78 Ca -0.19 0.38 -0.22 0.00 -0.01 0.00 0.00 57.16 57.13 2ee8 n GLU 78 Cb 0.84 -1.08 -0.14 0.00 -1.01 0.00 0.00 31.44 30.04 2ee8 n GLU 78 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ee8 n GLY 80 N 1.98 1.15 1.78 0.00 0.00 -1.25 -5.05 105.19 103.81 2ee8 n GLY 80 Ca -0.31 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.55 -2.83 -2.80 1.61 4.76 -1.26 -4.75 118.16 112.33 2ee8 n LYS 81 Ca 0.00 -0.71 -0.13 0.00 -2.87 0.00 0.00 58.31 54.59 2ee8 n LYS 81 Cb 0.19 -1.01 0.01 0.00 -1.84 0.00 0.00 35.03 32.38 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 -2.58 2.58 1.99 0.72 0.00 -1.26 -4.27 105.19 102.37 2ee8 n GLY 82 Ca 0.07 -1.56 -0.15 0.00 0.00 0.00 0.00 46.02 44.38 2ee8 n GLY 82 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ee8 n PHE 83 N -0.00 -2.57 -0.11 1.61 3.01 -1.26 -4.98 117.46 113.16 2ee8 n PHE 83 Ca 0.16 -0.28 0.00 0.00 1.01 0.00 0.00 57.45 58.34 2ee8 n PHE 83 Cb 0.75 -0.84 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 2ee8 n PHE 83 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2ee8 s GLN 85 N -0.45 1.83 -0.11 0.00 -0.21 -1.26 -5.09 119.66 114.37 2ee8 s GLN 85 Ca 0.00 -1.88 -0.10 0.00 0.02 0.00 0.00 55.36 53.40 2ee8 s GLN 85 Cb 0.00 -1.75 -0.03 0.00 1.00 0.00 0.00 33.01 32.23 2ee8 s GLN 85 CO 0.00 0.18 -0.19 0.45 -2.12 0.00 0.00 175.29 173.61 2ee8 n SER 86 N -0.78 1.17 -0.28 5.90 2.88 -1.26 -3.63 113.62 117.61 2ee8 n SER 86 Ca -0.05 0.26 0.28 0.00 -1.33 0.00 0.00 58.87 58.04 2ee8 n SER 86 Cb 0.63 -0.66 0.52 0.00 -0.75 0.00 0.00 64.21 63.95 2ee8 n SER 86 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2ee8 n ARG 87 N -3.70 -0.05 0.04 -1.46 1.74 -1.26 0.22 116.66 112.18 2ee8 n ARG 87 Ca -0.08 1.22 -0.18 0.00 -0.77 0.00 0.00 57.85 58.05 2ee8 n ARG 87 Cb 0.29 -2.20 -0.08 0.00 -1.02 0.00 0.00 32.46 29.45 2ee8 n ARG 87 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2ee8 h THR 88 N 0.00 1.31 0.30 0.55 2.02 -2.00 -3.24 112.91 111.85 2ee8 h THR 88 Ca 0.75 -2.24 -0.00 0.00 0.77 0.00 0.00 66.41 65.69 2ee8 h THR 88 Cb 2.00 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 70.70 2ee8 h THR 88 CO -0.68 0.69 -0.28 0.25 0.37 0.00 0.00 175.52 175.87 2ee8 h LEU 89 N 0.37 -0.74 -0.92 2.58 5.85 0.25 -1.50 115.31 121.20 2ee8 h LEU 89 Ca -0.10 0.06 0.21 0.00 0.84 0.00 0.00 57.88 58.90 2ee8 h LEU 89 Cb 1.60 0.25 -0.12 0.00 0.37 0.00 0.00 40.66 42.76 2ee8 h LEU 89 CO 0.18 -0.40 0.47 0.00 -0.34 0.00 0.00 178.44 178.35 2ee8 h ALA 90 N 0.00 1.51 0.00 1.25 0.00 -1.36 0.80 119.26 121.46 2ee8 h ALA 90 Ca -0.01 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2ee8 h ALA 90 Cb 0.54 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2ee8 h ALA 90 CO -0.05 -0.26 -0.04 0.28 0.00 0.00 0.00 179.25 179.19 2ee8 h VAL 91 N 0.51 0.09 0.16 0.00 2.07 -1.45 -3.13 116.25 114.50 2ee8 h VAL 91 Ca 0.57 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2ee8 h VAL 91 Cb 1.02 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2ee8 h VAL 91 CO -0.48 0.03 -0.07 -0.74 0.02 0.00 0.00 177.57 176.33 2ee8 h HIS 92 N 0.00 -0.19 0.00 1.57 6.17 0.16 -2.35 115.15 120.51 2ee8 h HIS 92 Ca -0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2ee8 h HIS 92 Cb 0.54 0.06 0.00 0.00 2.52 0.00 0.00 27.41 30.54 2ee8 h HIS 92 CO 0.00 0.25 0.00 1.63 0.71 0.00 0.00 177.93 180.52 2ee8 n LYS 93 N -4.93 0.03 -0.01 5.26 4.01 -0.95 -1.80 118.16 119.77 2ee8 n LYS 93 Ca -0.08 0.48 -0.21 0.00 -0.51 0.00 0.00 58.31 57.98 2ee8 n LYS 93 Cb 0.27 -1.58 -0.14 0.00 -0.51 0.00 0.00 35.03 33.07 2ee8 n LYS 93 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2ee8 n THR 94 N -1.64 1.76 -0.26 -0.18 -2.24 -1.16 -4.25 114.28 106.30 2ee8 n THR 94 Ca 0.00 -0.61 -0.07 0.00 -2.27 0.00 0.00 64.05 61.11 2ee8 n THR 94 Cb 0.04 -1.75 0.05 0.00 -2.10 0.00 0.00 70.33 66.57 2ee8 n THR 94 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 2ee8 h LEU 95 N -0.01 1.02 -0.67 3.22 8.10 -0.80 -3.16 115.31 123.01 2ee8 h LEU 95 Ca -0.43 -0.18 0.07 0.00 0.11 0.00 0.00 57.88 57.45 2ee8 h LEU 95 Cb 1.98 -0.27 -0.10 0.00 -0.44 0.00 0.00 40.66 41.83 2ee8 h LEU 95 CO 0.06 0.93 -0.56 0.45 -4.11 0.00 0.00 178.44 175.21 2ee8 h HIS 96 N 1.05 -1.74 -4.24 0.17 3.86 -1.67 -3.41 115.15 109.17 2ee8 h HIS 96 Ca 0.24 0.10 -0.51 0.00 -1.16 0.00 0.00 60.37 59.04 2ee8 h HIS 96 Cb 0.24 0.85 0.16 0.00 1.06 0.00 0.00 27.41 29.71 2ee8 h HIS 96 CO 0.02 -0.42 0.27 0.00 0.86 0.00 0.00 177.93 178.66 2ee8 s MET 97 N -5.49 1.65 -0.20 2.45 0.23 -1.19 -4.97 119.30 111.78 2ee8 s MET 97 Ca -0.13 1.23 -0.25 0.00 -1.03 0.00 0.00 55.69 55.51 2ee8 s MET 97 Cb 0.09 -1.82 -0.01 0.00 -1.53 0.00 0.00 34.83 31.56 2ee8 s MET 97 CO 0.60 -2.09 0.85 -1.14 -2.03 0.00 0.00 175.02 171.21 2ee8 s GLN 98 N -4.82 4.26 -0.26 3.16 0.74 -1.26 -4.99 119.66 116.49 2ee8 s GLN 98 Ca 0.63 1.02 -0.28 0.00 0.05 0.00 0.00 55.36 56.78 2ee8 s GLN 98 Cb -0.19 -3.60 -0.03 0.00 1.10 0.00 0.00 33.01 30.28 2ee8 s GLN 98 CO 0.57 -0.42 1.90 0.95 -0.55 0.00 0.00 175.29 177.74 2ee8 s THR 99 N 2.46 3.35 0.22 -0.34 -4.23 -1.26 -4.93 115.64 110.91 2ee8 s THR 99 Ca 0.38 0.37 -0.21 0.00 -1.18 0.00 0.00 61.69 61.05 2ee8 s THR 99 Cb -0.16 -3.43 0.04 0.00 1.34 0.00 0.00 72.50 70.28 2ee8 s THR 99 CO 0.10 -0.25 0.63 -0.55 -0.54 0.00 0.00 174.62 174.01 2ee8 s SER 100 N 6.32 -0.37 -0.09 3.99 0.15 -1.26 -5.17 113.70 117.26 2ee8 s SER 100 Ca 0.85 -0.36 -0.04 0.00 0.70 0.00 0.00 55.95 57.09 2ee8 s SER 100 Cb -0.27 0.64 0.04 0.00 -1.71 0.00 0.00 66.02 64.73 2ee8 s SER 100 CO 0.34 -1.14 0.22 -0.44 1.20 0.00 0.00 173.24 173.42 2ee8 s SER 101 N -2.85 -0.20 1.06 5.45 0.01 -1.26 -5.16 113.70 110.75 2ee8 s SER 101 Ca 0.07 0.46 -0.14 0.00 1.31 0.00 0.00 55.95 57.65 2ee8 s SER 101 Cb -0.03 0.34 0.22 0.00 0.21 0.00 0.00 66.02 66.77 2ee8 s SER 101 CO -0.03 -0.16 1.10 -2.16 0.41 0.00 0.00 173.24 172.40 2ee8 s PRO 102 N 1.26 -0.07 -0.30 12.44 0.04 -1.26 -5.09 135.00 142.03 2ee8 s PRO 102 Ca -0.09 0.35 -0.16 0.00 0.04 0.00 0.00 61.00 61.14 2ee8 s PRO 102 Cb -0.11 -1.69 0.16 0.00 0.04 0.00 0.00 34.50 32.90 2ee8 s PRO 102 CO -0.08 -3.03 1.02 -0.08 0.04 0.00 0.00 177.00 174.87 2ee8 s THR 103 N -2.98 -0.28 -0.19 1.26 -1.32 -1.26 -5.17 115.64 105.70 2ee8 s THR 103 Ca 0.67 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.97 2ee8 s THR 103 Cb -0.17 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.88 2ee8 s THR 103 CO 0.57 0.00 0.51 0.00 -2.21 0.00 0.00 174.62 173.49 2ee8 s ALA 104 N 1.98 -1.26 -0.13 11.08 0.00 -1.26 -5.16 121.76 127.01 2ee8 s ALA 104 Ca -0.05 1.45 -0.08 0.00 0.00 0.00 0.00 51.96 53.29 2ee8 s ALA 104 Cb -0.05 -0.85 0.05 0.00 0.00 0.00 0.00 23.12 22.28 2ee8 s ALA 104 CO -0.16 -0.24 0.33 0.00 0.00 0.00 0.00 175.76 175.68 2ee8 s ALA 105 N 0.32 -0.80 0.00 0.00 0.00 -1.26 -5.37 121.76 114.65 2ee8 s ALA 105 Ca -0.00 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2ee8 s ALA 105 Cb -0.04 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.33 2ee8 s ALA 105 CO 0.00 -0.22 0.00 -1.13 0.00 0.00 0.00 175.76 174.41