#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 5.59 -0.02 1.61 1.04 -1.26 -5.13 113.70 115.53 2ee8 s SER 2 Ca 0.00 -0.21 0.04 0.00 0.48 0.00 0.00 55.95 56.25 2ee8 s SER 2 Cb 0.00 -1.45 -0.00 0.00 0.10 0.00 0.00 66.02 64.67 2ee8 s SER 2 CO 0.00 -0.03 -0.13 -0.55 0.98 0.00 0.00 173.24 173.52 2ee8 s SER 3 N -3.77 1.58 -0.39 7.02 0.15 -1.26 -5.05 113.70 111.98 2ee8 s SER 3 Ca 0.33 -0.25 0.05 0.00 0.70 0.00 0.00 55.95 56.77 2ee8 s SER 3 Cb -0.08 -0.34 0.31 0.00 -1.71 0.00 0.00 66.02 64.20 2ee8 s SER 3 CO 0.25 0.12 1.24 0.61 1.20 0.00 0.00 173.24 176.66 2ee8 n GLY 4 N 3.06 -0.58 3.01 9.45 0.00 -1.26 -5.08 105.19 113.79 2ee8 n GLY 4 Ca -0.17 0.49 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.73 4.95 0.23 1.61 0.01 -1.26 -5.05 113.70 113.45 2ee8 s SER 5 Ca 0.22 -3.24 -0.07 0.00 1.31 0.00 0.00 55.95 54.18 2ee8 s SER 5 Cb 0.28 -1.75 -0.02 0.00 0.21 0.00 0.00 66.02 64.74 2ee8 s SER 5 CO -0.14 -0.24 0.31 -0.44 0.41 0.00 0.00 173.24 173.14 2ee8 s SER 6 N -0.21 0.07 0.49 2.44 0.01 -1.26 -5.13 113.70 110.12 2ee8 s SER 6 Ca 0.20 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.28 2ee8 s SER 6 Cb -0.17 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2ee8 s SER 6 CO -0.06 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.20 2ee8 n GLY 7 N -0.33 -0.51 0.00 3.44 0.00 -1.26 -5.00 105.19 101.53 2ee8 n GLY 7 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.18 2.52 3.13 -0.02 0.00 -1.26 -5.18 105.19 104.20 2ee8 n GLY 8 Ca 0.00 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 2ee8 n GLY 8 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ee8 s ARG 9 N 0.00 0.71 -0.10 1.61 3.03 -1.26 -5.17 118.95 117.78 2ee8 s ARG 9 Ca 0.00 -1.11 -0.30 0.00 2.03 0.00 0.00 55.73 56.34 2ee8 s ARG 9 Cb 0.00 -0.23 0.10 0.00 -1.03 0.00 0.00 34.95 33.79 2ee8 s ARG 9 CO 0.00 0.01 0.85 -0.48 -1.13 0.00 0.00 175.30 174.55 2ee8 s LEU 10 N -2.49 -0.49 0.21 -1.89 2.34 -1.26 -5.15 118.68 109.95 2ee8 s LEU 10 Ca 0.03 0.48 -0.30 0.00 0.06 0.00 0.00 54.13 54.41 2ee8 s LEU 10 Cb -0.00 2.16 -0.09 0.00 -0.56 0.00 0.00 46.19 47.70 2ee8 s LEU 10 CO -0.03 -0.49 1.30 -2.16 -1.06 0.00 0.00 176.35 173.91 2ee8 s PRO 11 N -1.37 4.40 -0.10 1.48 0.04 -1.26 -5.02 135.00 133.17 2ee8 s PRO 11 Ca -0.05 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.74 2ee8 s PRO 11 Cb -0.00 -3.19 0.12 0.00 0.04 0.00 0.00 34.50 31.47 2ee8 s PRO 11 CO 0.04 -0.22 0.98 0.45 0.04 0.00 0.00 177.00 178.28 2ee8 s SER 12 N 0.22 -0.34 -0.05 6.66 0.15 -1.26 -5.18 113.70 113.91 2ee8 s SER 12 Ca 0.55 0.17 -0.31 0.00 0.70 0.00 0.00 55.95 57.07 2ee8 s SER 12 Cb -0.36 0.32 0.07 0.00 -1.71 0.00 0.00 66.02 64.33 2ee8 s SER 12 CO 0.39 -0.45 0.67 -0.54 1.20 0.00 0.00 173.24 174.52 2ee8 s LYS 13 N -2.15 1.06 0.01 5.44 1.02 -1.26 -5.18 119.74 118.67 2ee8 s LYS 13 Ca 0.03 0.24 -0.17 0.00 0.02 0.00 0.00 55.97 56.09 2ee8 s LYS 13 Cb -0.01 0.50 0.03 0.00 -0.52 0.00 0.00 37.83 37.83 2ee8 s LYS 13 CO -0.04 -0.33 0.37 -0.08 -0.92 0.00 0.00 175.35 174.35 2ee8 s THR 14 N -1.24 0.06 0.62 2.17 -1.32 -1.26 -5.18 115.64 109.49 2ee8 s THR 14 Ca -0.11 -0.48 0.09 0.00 -1.21 0.00 0.00 61.69 59.98 2ee8 s THR 14 Cb -0.00 -0.81 0.10 0.00 -1.51 0.00 0.00 72.50 70.28 2ee8 s THR 14 CO 0.09 -0.26 0.85 -0.54 -2.21 0.00 0.00 174.62 172.55 2ee8 s LYS 15 N -1.91 2.14 -0.12 7.08 1.02 -1.26 -5.09 119.74 121.61 2ee8 s LYS 15 Ca -0.09 -1.65 -0.18 0.00 0.02 0.00 0.00 55.97 54.06 2ee8 s LYS 15 Cb -0.03 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.65 2ee8 s LYS 15 CO 0.01 -1.02 0.49 -1.59 -0.92 0.00 0.00 175.35 172.31 2ee8 s LYS 16 N -4.77 4.34 0.25 1.68 -2.85 -1.26 -5.07 119.74 112.05 2ee8 s LYS 16 Ca 0.64 0.46 0.01 0.00 -1.00 0.00 0.00 55.97 56.08 2ee8 s LYS 16 Cb -0.05 -3.44 -0.05 0.00 -2.06 0.00 0.00 37.83 32.23 2ee8 s LYS 16 CO 0.41 0.14 0.08 -1.21 0.10 0.00 0.00 175.35 174.86 2ee8 s GLU 17 N 0.69 1.37 0.62 1.78 8.01 -1.26 -5.13 118.70 124.77 2ee8 s GLU 17 Ca 0.26 -1.73 -0.13 0.00 0.01 0.00 0.00 54.97 53.39 2ee8 s GLU 17 Cb -0.15 -0.28 -0.03 0.00 -4.31 0.00 0.00 34.13 29.36 2ee8 s GLU 17 CO 0.10 -0.26 1.03 -0.06 0.01 0.00 0.00 175.26 176.09 2ee8 s PHE 18 N -3.73 3.32 -0.01 1.61 0.08 -1.26 -4.90 117.98 113.09 2ee8 s PHE 18 Ca 0.35 1.41 0.02 0.00 0.12 0.00 0.00 56.93 58.83 2ee8 s PHE 18 Cb 0.07 -2.84 -0.00 0.00 -0.57 0.00 0.00 43.02 39.69 2ee8 s PHE 18 CO 0.12 -0.87 -0.06 0.42 -0.10 0.00 0.00 175.22 174.74 2ee8 s ILE 19 N -2.89 0.47 1.10 0.64 1.01 -1.26 -2.80 121.20 117.47 2ee8 s ILE 19 Ca 0.58 -0.24 -0.20 0.00 0.00 0.00 0.00 60.65 60.79 2ee8 s ILE 19 Cb -0.13 -0.40 0.05 0.00 0.01 0.00 0.00 42.46 41.99 2ee8 s ILE 19 CO 0.46 0.14 -0.29 0.00 0.00 0.00 0.00 174.94 175.26 2ee8 n LYS 21 N -1.19 3.40 -0.02 0.00 2.85 -1.26 -3.78 118.16 118.16 2ee8 n LYS 21 Ca 0.00 -0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 2ee8 n LYS 21 Cb 0.65 -1.07 -0.09 0.00 -0.65 0.00 0.00 35.03 33.86 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 -0.07 0.00 5.58 -1.00 -2.00 -3.39 116.94 116.06 2ee8 h PHE 22 Ca -0.08 -0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.52 2ee8 h PHE 22 Cb 1.14 0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.69 2ee8 h PHE 22 CO 0.00 0.55 -2.01 0.00 -1.61 0.00 0.00 178.31 175.24 2ee8 n GLY 24 N 1.80 -0.04 3.55 0.00 0.00 -1.25 -5.02 105.19 104.23 2ee8 n GLY 24 Ca -0.18 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.22 1.98 0.08 1.61 3.52 -1.26 -4.79 118.95 116.88 2ee8 s ARG 25 Ca 0.07 -1.23 -0.19 0.00 -0.13 0.00 0.00 55.73 54.25 2ee8 s ARG 25 Cb -0.01 -2.15 -0.07 0.00 -1.56 0.00 0.00 34.95 31.16 2ee8 s ARG 25 CO 0.20 0.45 0.58 -1.01 -0.81 0.00 0.00 175.30 174.71 2ee8 s HIS 26 N -1.50 3.80 0.19 5.12 3.76 -1.26 -1.06 115.29 124.33 2ee8 s HIS 26 Ca 0.23 1.28 0.07 0.00 -0.15 0.00 0.00 55.06 56.48 2ee8 s HIS 26 Cb -0.09 -2.50 -0.05 0.00 1.11 0.00 0.00 32.58 31.05 2ee8 s HIS 26 CO 0.14 0.57 -0.13 -0.06 -0.85 0.00 0.00 174.74 174.41 2ee8 s PHE 27 N -1.14 1.59 -0.09 1.40 0.40 -1.12 -5.00 117.98 114.01 2ee8 s PHE 27 Ca 0.30 -0.63 -0.05 0.00 -0.60 0.00 0.00 56.93 55.95 2ee8 s PHE 27 Cb -0.19 -0.76 -0.03 0.00 0.51 0.00 0.00 43.02 42.54 2ee8 s PHE 27 CO 0.19 0.27 0.16 1.15 0.70 0.00 0.00 175.22 177.69 2ee8 h THR 28 N 2.61 0.16 -2.24 0.64 2.02 -1.96 -3.40 112.91 110.75 2ee8 h THR 28 Ca -0.38 -1.06 -0.52 0.00 0.77 0.00 0.00 66.41 65.22 2ee8 h THR 28 Cb 1.21 0.31 -0.06 0.00 -1.74 0.00 0.00 68.15 67.87 2ee8 h THR 28 CO 0.63 0.05 -0.55 -0.75 0.37 0.00 0.00 175.52 175.27 2ee8 s LYS 29 N -1.86 2.80 0.15 6.66 2.20 -1.26 -4.85 119.74 123.59 2ee8 s LYS 29 Ca -0.03 -1.11 -0.14 0.00 -0.36 0.00 0.00 55.97 54.33 2ee8 s LYS 29 Cb -0.00 -2.49 0.03 0.00 -1.51 0.00 0.00 37.83 33.86 2ee8 s LYS 29 CO 0.09 0.40 1.69 0.66 -0.36 0.00 0.00 175.35 177.83 2ee8 h SER 30 N 1.64 0.70 0.01 1.43 4.64 -1.96 -3.07 113.55 116.93 2ee8 h SER 30 Ca -0.48 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 60.65 2ee8 h SER 30 Cb 1.24 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2ee8 h SER 30 CO 0.61 0.70 -0.00 0.22 -0.87 0.00 0.00 176.83 177.49 2ee8 h TYR 31 N 0.66 -0.01 -0.86 4.77 5.03 -2.01 -2.04 116.97 122.51 2ee8 h TYR 31 Ca 0.16 -0.00 0.25 0.00 2.58 0.00 0.00 58.73 61.72 2ee8 h TYR 31 Cb 0.24 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.49 2ee8 h TYR 31 CO 0.01 0.03 0.78 -0.97 -1.32 0.00 0.00 178.16 176.69 2ee8 h ASN 32 N -0.05 0.00 0.24 -2.11 -0.00 -1.95 0.23 115.58 111.94 2ee8 h ASN 32 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.29 2ee8 h ASN 32 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.37 2ee8 h ASN 32 CO 0.00 0.00 -0.12 0.25 -0.00 0.00 0.00 177.43 177.57 2ee8 h LEU 33 N 0.00 -0.27 -1.08 0.34 5.85 -1.31 -3.17 115.31 115.67 2ee8 h LEU 33 Ca 0.41 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 59.00 2ee8 h LEU 33 Cb 1.95 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.98 2ee8 h LEU 33 CO -0.00 0.13 0.62 0.17 -0.34 0.00 0.00 178.44 179.02 2ee8 h LEU 34 N -0.74 0.91 -2.03 2.25 8.10 -0.95 0.14 115.31 122.99 2ee8 h LEU 34 Ca -0.03 0.03 0.13 0.00 0.11 0.00 0.00 57.88 58.12 2ee8 h LEU 34 Cb 0.49 -0.15 -0.02 0.00 -0.44 0.00 0.00 40.66 40.54 2ee8 h LEU 34 CO 0.05 0.52 0.35 0.40 -4.11 0.00 0.00 178.44 175.65 2ee8 h ILE 35 N 0.99 0.65 0.04 0.15 2.04 -1.41 0.10 117.51 120.08 2ee8 h ILE 35 Ca 0.46 0.00 -0.36 0.00 1.00 0.00 0.00 64.86 65.96 2ee8 h ILE 35 Cb 0.41 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 2ee8 h ILE 35 CO -0.22 0.00 -2.19 1.57 0.00 0.00 0.00 178.15 177.31 2ee8 n HIS 36 N -4.21 0.53 0.23 1.37 -0.00 0.07 -4.22 115.22 108.99 2ee8 n HIS 36 Ca 0.08 0.14 0.07 0.00 0.46 0.00 0.00 57.72 58.47 2ee8 n HIS 36 Cb 0.55 -1.08 0.56 0.00 -0.12 0.00 0.00 29.99 29.90 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 0.02 0.00 0.00 1.57 5.08 0.04 -1.70 114.58 119.59 2ee8 h GLU 37 Ca -0.48 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 2ee8 h GLU 37 Cb 2.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.28 2ee8 h GLU 37 CO 0.02 0.19 -0.03 0.07 -1.00 0.00 0.00 179.01 178.26 2ee8 h ARG 38 N 0.00 0.00 0.00 2.33 0.11 -1.00 -1.57 114.38 114.25 2ee8 h ARG 38 Ca -0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2ee8 h ARG 38 Cb 0.37 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.45 2ee8 h ARG 38 CO 0.02 0.03 -0.16 0.00 0.10 0.00 0.00 179.97 179.96 2ee8 h THR 39 N 0.00 0.04 -0.06 0.08 1.03 -1.51 -3.30 112.91 109.18 2ee8 h THR 39 Ca -0.00 -1.06 -0.13 0.00 -0.01 0.00 0.00 66.41 65.21 2ee8 h THR 39 Cb 0.29 1.95 0.01 0.00 -1.07 0.00 0.00 68.15 69.34 2ee8 h THR 39 CO 0.00 0.02 -0.48 0.45 -0.01 0.00 0.00 175.52 175.51 2ee8 h HIS 40 N 0.00 0.60 0.00 0.00 3.86 -1.35 -3.44 115.15 114.83 2ee8 h HIS 40 Ca -0.00 -0.28 -0.36 0.00 -1.16 0.00 0.00 60.37 58.57 2ee8 h HIS 40 Cb 1.02 -0.09 -0.08 0.00 1.06 0.00 0.00 27.41 29.33 2ee8 h HIS 40 CO 0.00 1.06 1.44 0.25 0.86 0.00 0.00 177.93 181.54 2ee8 n THR 41 N -4.28 0.00 -4.00 2.45 -2.24 -1.21 -4.79 114.28 100.20 2ee8 n THR 41 Ca -0.09 -0.11 -0.10 0.00 -2.27 0.00 0.00 64.05 61.48 2ee8 n THR 41 Cb 0.59 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 2ee8 n THR 41 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2ee8 n ASP 42 N 7.09 -0.64 -3.14 3.42 8.00 -1.26 -5.10 116.55 124.92 2ee8 n ASP 42 Ca 0.52 -2.22 -0.18 0.00 0.71 0.00 0.00 54.79 53.62 2ee8 n ASP 42 Cb 0.05 1.30 0.14 0.00 -0.02 0.00 0.00 41.12 42.58 2ee8 n ASP 42 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2ee8 n GLU 43 N -0.36 -1.59 -1.39 -1.24 -0.58 -1.26 -4.75 120.64 109.46 2ee8 n GLU 43 Ca 0.02 -1.13 -0.38 0.00 -0.42 0.00 0.00 57.16 55.25 2ee8 n GLU 43 Cb 0.36 -0.91 -0.14 0.00 -0.57 0.00 0.00 31.44 30.18 2ee8 n GLU 43 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2ee8 n ARG 44 N -3.13 0.00 0.00 3.49 5.12 -1.26 -4.71 116.66 116.17 2ee8 n ARG 44 Ca 0.10 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 56.08 2ee8 n ARG 44 Cb 0.35 -1.39 0.32 0.00 -1.16 0.00 0.00 32.46 30.58 2ee8 n ARG 44 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2ee8 n PRO 45 N 7.85 0.05 -1.49 5.56 -0.04 -1.26 -3.56 135.00 142.12 2ee8 n PRO 45 Ca 0.61 0.23 -0.27 0.00 -0.04 0.00 0.00 63.50 64.02 2ee8 n PRO 45 Cb 0.03 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.94 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 1.69 -2.91 0.54 4.02 -1.26 -4.96 117.16 112.83 2ee8 n TYR 46 Ca 0.04 -1.97 -0.40 0.00 -0.01 0.00 0.00 57.90 55.56 2ee8 n TYR 46 Cb 0.15 -1.35 -0.05 0.00 -0.02 0.00 0.00 39.34 38.08 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 -2.45 4.63 1.11 -0.72 2.01 -1.23 -3.23 115.64 115.76 2ee8 s THR 47 Ca 0.57 1.76 -0.17 0.00 0.31 0.00 0.00 61.69 64.16 2ee8 s THR 47 Cb 0.38 -4.17 0.25 0.00 0.01 0.00 0.00 72.50 68.97 2ee8 s THR 47 CO -0.22 0.37 1.15 0.00 -0.69 0.00 0.00 174.62 175.22 2ee8 n ASP 49 N -4.43 1.04 0.00 0.00 5.75 -1.26 -4.23 116.55 113.42 2ee8 n ASP 49 Ca 0.12 -0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.72 2ee8 n ASP 49 Cb 0.59 1.62 0.00 0.00 -1.03 0.00 0.00 41.12 42.30 2ee8 n ASP 49 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 2ee8 n ILE 50 N -1.95 0.00 0.76 2.12 5.41 -1.26 -4.73 119.36 119.71 2ee8 n ILE 50 Ca -0.02 0.06 0.08 0.00 1.00 0.00 0.00 62.75 63.87 2ee8 n ILE 50 Cb 0.40 -0.89 0.40 0.00 -0.71 0.00 0.00 39.64 38.84 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 -1.28 -1.38 -2.35 0.00 8.25 -1.26 -4.92 115.22 112.28 2ee8 n HIS 52 Ca 0.08 0.66 -0.24 0.00 -0.26 0.00 0.00 57.72 57.95 2ee8 n HIS 52 Cb 0.12 -3.05 0.06 0.00 1.12 0.00 0.00 29.99 28.25 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 -7.12 2.24 -0.08 -0.41 1.02 -1.26 -4.58 119.74 109.55 2ee8 s LYS 53 Ca 0.05 -0.47 0.05 0.00 0.02 0.00 0.00 55.97 55.62 2ee8 s LYS 53 Cb -0.03 -2.27 -0.01 0.00 -0.52 0.00 0.00 37.83 35.00 2ee8 s LYS 53 CO 0.97 -1.12 -0.22 0.00 -0.92 0.00 0.00 175.35 174.06 2ee8 s ALA 54 N -3.11 2.26 0.11 5.17 0.00 -1.26 -2.11 121.76 122.83 2ee8 s ALA 54 Ca 0.60 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.59 2ee8 s ALA 54 Cb -0.10 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 2ee8 s ALA 54 CO 0.43 0.38 -0.11 -0.06 0.00 0.00 0.00 175.76 176.40 2ee8 s PHE 55 N -0.03 1.17 -0.14 0.00 0.40 -1.20 -5.06 117.98 113.11 2ee8 s PHE 55 Ca -0.07 -0.67 -0.10 0.00 -0.60 0.00 0.00 56.93 55.49 2ee8 s PHE 55 Cb -0.15 -0.62 -0.07 0.00 0.51 0.00 0.00 43.02 42.69 2ee8 s PHE 55 CO 0.05 0.04 0.02 0.00 0.70 0.00 0.00 175.22 176.03 2ee8 h ARG 56 N 3.34 0.00 -6.78 0.44 3.08 -2.00 -3.41 114.38 109.05 2ee8 h ARG 56 Ca -0.37 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.20 2ee8 h ARG 56 Cb 1.19 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.27 2ee8 h ARG 56 CO 0.55 0.25 -0.03 1.03 -1.07 0.00 0.00 179.97 180.71 2ee8 s ARG 57 N -2.06 3.21 -0.03 0.04 0.52 -1.26 -5.00 118.95 114.37 2ee8 s ARG 57 Ca -0.13 -0.24 -0.05 0.00 -0.52 0.00 0.00 55.73 54.78 2ee8 s ARG 57 Cb 0.02 -2.49 -0.03 0.00 0.52 0.00 0.00 34.95 32.96 2ee8 s ARG 57 CO 0.26 -0.25 0.33 1.96 0.02 0.00 0.00 175.30 177.61 2ee8 h GLN 58 N 0.33 -0.18 -0.92 3.54 7.50 -2.00 -3.27 115.11 120.11 2ee8 h GLN 58 Ca -0.47 0.01 0.36 0.00 0.50 0.00 0.00 58.65 59.05 2ee8 h GLN 58 Cb 1.24 0.04 -0.13 0.00 0.05 0.00 0.00 27.48 28.68 2ee8 h GLN 58 CO 0.59 -0.12 0.54 -3.47 -1.50 0.00 0.00 178.83 174.88 2ee8 n ASP 59 N -3.71 0.24 0.05 1.46 2.03 -1.26 0.16 116.55 115.52 2ee8 n ASP 59 Ca -0.02 1.24 -0.12 0.00 0.52 0.00 0.00 54.79 56.41 2ee8 n ASP 59 Cb 0.08 -0.61 -0.07 0.00 -0.72 0.00 0.00 41.12 39.80 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 -0.03 -0.27 -0.67 3.86 -1.99 0.43 115.15 116.47 2ee8 h HIS 60 Ca 0.69 -0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.72 2ee8 h HIS 60 Cb 1.99 0.01 -0.00 0.00 1.06 0.00 0.00 27.41 30.47 2ee8 h HIS 60 CO -0.01 -0.01 -0.53 1.25 0.86 0.00 0.00 177.93 179.48 2ee8 h LEU 61 N -0.04 0.90 0.38 2.43 5.85 0.16 0.10 115.31 125.09 2ee8 h LEU 61 Ca -0.00 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 2ee8 h LEU 61 Cb 0.03 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 2ee8 h LEU 61 CO 0.01 1.25 -0.22 0.03 -0.34 0.00 0.00 178.44 179.17 2ee8 h ARG 62 N 0.62 -0.54 -0.01 1.25 3.08 -0.65 -2.18 114.38 115.96 2ee8 h ARG 62 Ca 0.02 0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.97 2ee8 h ARG 62 Cb 1.13 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 2ee8 h ARG 62 CO 0.12 -0.36 -0.62 0.38 -1.07 0.00 0.00 179.97 178.42 2ee8 h ASP 63 N -0.56 0.06 -0.99 7.04 3.04 -0.97 -3.12 116.42 120.93 2ee8 h ASP 63 Ca -0.04 -0.04 0.07 0.00 -3.24 0.00 0.00 57.03 53.78 2ee8 h ASP 63 Cb 0.45 -0.02 -0.07 0.00 -1.04 0.00 0.00 39.33 38.66 2ee8 h ASP 63 CO 0.06 0.66 0.64 -0.74 -2.04 0.00 0.00 179.24 177.82 2ee8 h HIS 64 N 0.04 1.17 0.00 4.15 2.76 -0.53 -0.44 115.15 122.30 2ee8 h HIS 64 Ca -0.01 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2ee8 h HIS 64 Cb 1.10 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 29.67 2ee8 h HIS 64 CO 0.00 0.60 0.42 -0.09 -1.30 0.00 0.00 177.93 177.57 2ee8 h ARG 65 N 1.15 0.00 -0.17 5.26 1.12 -1.33 0.12 114.38 120.53 2ee8 h ARG 65 Ca 0.43 0.00 0.05 0.00 -1.11 0.00 0.00 59.98 59.35 2ee8 h ARG 65 Cb 0.18 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.14 2ee8 h ARG 65 CO -0.17 0.00 0.14 -0.92 -3.11 0.00 0.00 179.97 175.91 2ee8 h TYR 66 N 0.00 0.00 0.00 2.20 3.20 -1.27 0.90 116.97 122.00 2ee8 h TYR 66 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2ee8 h TYR 66 Cb 0.83 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.10 2ee8 h TYR 66 CO 0.00 0.00 -0.07 -0.84 -1.64 0.00 0.00 178.16 175.61 2ee8 h ILE 67 N 0.00 0.27 -3.13 1.81 3.07 -0.96 -3.42 117.51 115.14 2ee8 h ILE 67 Ca 0.08 -0.50 -0.60 0.00 1.55 0.00 0.00 64.86 65.40 2ee8 h ILE 67 Cb 0.37 1.38 -0.06 0.00 -0.27 0.00 0.00 36.82 38.24 2ee8 h ILE 67 CO -0.00 0.07 -0.18 -1.00 -1.05 0.00 0.00 178.15 175.99 2ee8 s HIS 68 N -3.94 3.67 0.36 0.16 3.76 0.31 -5.06 115.29 114.53 2ee8 s HIS 68 Ca -0.02 0.97 -0.26 0.00 -0.15 0.00 0.00 55.06 55.61 2ee8 s HIS 68 Cb 0.11 -2.38 -0.09 0.00 1.11 0.00 0.00 32.58 31.33 2ee8 s HIS 68 CO 0.54 0.49 1.07 -1.12 -0.85 0.00 0.00 174.74 174.88 2ee8 s SER 69 N -0.55 6.92 -0.64 1.40 0.01 -1.26 -5.00 113.70 114.58 2ee8 s SER 69 Ca 0.24 2.14 -0.13 0.00 1.31 0.00 0.00 55.95 59.52 2ee8 s SER 69 Cb -0.16 -2.60 0.16 0.00 0.21 0.00 0.00 66.02 63.63 2ee8 s SER 69 CO 0.13 -0.38 0.56 -0.54 0.41 0.00 0.00 173.24 173.42 2ee8 s LYS 70 N -2.10 3.08 0.43 12.44 -0.14 -1.26 -5.05 119.74 127.14 2ee8 s LYS 70 Ca 0.53 -2.05 0.06 0.00 -1.36 0.00 0.00 55.97 53.15 2ee8 s LYS 70 Cb -0.26 -4.23 -0.06 0.00 -1.68 0.00 0.00 37.83 31.59 2ee8 s LYS 70 CO 0.33 -1.28 0.06 -1.21 -0.76 0.00 0.00 175.35 172.49 2ee8 s GLU 71 N 0.91 2.06 -0.48 1.68 2.02 -1.26 -5.11 118.70 118.52 2ee8 s GLU 71 Ca 0.10 -2.09 -0.12 0.00 0.02 0.00 0.00 54.97 52.88 2ee8 s GLU 71 Cb -0.21 -1.72 0.11 0.00 0.10 0.00 0.00 34.13 32.41 2ee8 s GLU 71 CO -0.02 -0.13 0.38 0.15 0.02 0.00 0.00 175.26 175.66 2ee8 s LYS 72 N -3.80 2.70 0.54 1.61 3.01 -1.26 -4.92 119.74 117.62 2ee8 s LYS 72 Ca 0.32 -1.66 0.32 0.00 -1.01 0.00 0.00 55.97 53.94 2ee8 s LYS 72 Cb 0.07 -4.04 1.34 0.00 -1.01 0.00 0.00 37.83 34.20 2ee8 s LYS 72 CO 0.17 -1.18 1.98 -1.00 0.51 0.00 0.00 175.35 175.83 2ee8 h PRO 73 N 8.61 0.00 -1.42 -1.68 0.13 -2.01 -3.24 132.00 132.39 2ee8 h PRO 73 Ca -0.25 0.00 0.45 0.00 -0.87 0.00 0.00 66.00 65.33 2ee8 h PRO 73 Cb 1.09 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.12 2ee8 h PRO 73 CO 0.90 0.04 0.97 0.34 -0.23 0.00 0.00 178.00 180.02 2ee8 n PHE 74 N -3.16 0.35 -3.77 1.56 7.35 -1.26 -3.69 117.46 114.84 2ee8 n PHE 74 Ca 0.00 0.35 -0.24 0.00 -0.76 0.00 0.00 57.45 56.80 2ee8 n PHE 74 Cb 0.31 -0.78 -0.17 0.00 0.35 0.00 0.00 39.48 39.19 2ee8 n PHE 74 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2ee8 s LYS 75 N -4.85 0.65 0.79 -4.13 2.47 -1.23 -4.86 119.74 108.59 2ee8 s LYS 75 Ca -0.05 -0.03 -0.14 0.00 -1.56 0.00 0.00 55.97 54.19 2ee8 s LYS 75 Cb 0.25 -1.27 0.06 0.00 -1.46 0.00 0.00 37.83 35.42 2ee8 s LYS 75 CO 0.74 -0.38 1.13 0.00 0.16 0.00 0.00 175.35 177.00 2ee8 n GLN 77 N -2.88 0.62 0.11 0.00 -0.00 -1.26 -3.08 117.38 110.89 2ee8 n GLN 77 Ca 0.13 0.18 -0.08 0.00 -0.00 0.00 0.00 57.00 57.23 2ee8 n GLN 77 Cb 0.50 -1.50 -0.05 0.00 -0.00 0.00 0.00 30.24 29.20 2ee8 n GLN 77 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2ee8 h GLU 78 N -0.30 -0.43 0.00 2.61 4.39 -2.03 -3.36 114.58 115.46 2ee8 h GLU 78 Ca -0.61 0.03 -0.37 0.00 0.34 0.00 0.00 59.36 58.75 2ee8 h GLU 78 Cb 1.80 0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 30.48 2ee8 h GLU 78 CO -0.19 -0.28 -2.41 0.00 -1.16 0.00 0.00 179.01 174.96 2ee8 n GLY 80 N 2.22 -0.51 3.87 0.00 0.00 -1.18 -5.02 105.19 104.56 2ee8 n GLY 80 Ca -0.42 0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 2ee8 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ee8 s LYS 81 N -3.82 2.29 -0.83 1.61 -0.14 -1.26 -4.86 119.74 112.72 2ee8 s LYS 81 Ca 0.27 0.35 -0.01 0.00 -1.36 0.00 0.00 55.97 55.23 2ee8 s LYS 81 Cb -0.04 -1.97 0.35 0.00 -1.68 0.00 0.00 37.83 34.50 2ee8 s LYS 81 CO 0.49 -1.42 1.85 0.41 -0.76 0.00 0.00 175.35 175.92 2ee8 n GLY 82 N -2.91 5.71 3.47 -3.33 0.00 -1.26 -4.58 105.19 102.29 2ee8 n GLY 82 Ca 0.07 -2.54 -0.32 0.00 0.00 0.00 0.00 46.02 43.23 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 -0.43 -0.81 -0.02 1.61 3.72 -1.26 -4.98 117.46 115.28 2ee8 n PHE 83 Ca 0.50 0.23 -0.04 0.00 -0.05 0.00 0.00 57.45 58.09 2ee8 n PHE 83 Cb 0.29 -1.81 -0.02 0.00 -0.94 0.00 0.00 39.48 37.00 2ee8 n PHE 83 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ee8 s GLN 85 N -2.09 3.71 -0.55 0.00 -1.52 -1.26 -4.99 119.66 112.95 2ee8 s GLN 85 Ca -0.06 0.35 0.01 0.00 -1.95 0.00 0.00 55.36 53.71 2ee8 s GLN 85 Cb 0.02 -2.42 0.51 0.00 -0.22 0.00 0.00 33.01 30.90 2ee8 s GLN 85 CO 0.10 -0.05 1.88 -1.13 -0.25 0.00 0.00 175.29 175.84 2ee8 n SER 86 N -1.48 6.14 0.00 5.90 3.41 -1.26 -4.39 113.62 121.94 2ee8 n SER 86 Ca 0.01 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.88 2ee8 n SER 86 Cb 0.54 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2ee8 n SER 86 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2ee8 n ARG 87 N -0.96 0.00 -0.10 4.33 5.12 -1.26 -4.70 116.66 119.09 2ee8 n ARG 87 Ca 0.58 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 56.39 2ee8 n ARG 87 Cb 0.95 -0.69 -0.04 0.00 -1.16 0.00 0.00 32.46 31.52 2ee8 n ARG 87 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ee8 h THR 88 N 0.00 1.28 -0.79 0.55 1.03 -2.02 -3.11 112.91 109.86 2ee8 h THR 88 Ca 0.00 -1.09 0.18 0.00 -0.01 0.00 0.00 66.41 65.49 2ee8 h THR 88 Cb 0.95 1.40 -0.11 0.00 -1.07 0.00 0.00 68.15 69.31 2ee8 h THR 88 CO 0.00 0.35 0.24 0.25 -0.01 0.00 0.00 175.52 176.35 2ee8 h LEU 89 N 0.32 0.10 -0.50 0.00 5.85 -1.87 0.93 115.31 120.14 2ee8 h LEU 89 Ca 0.07 0.15 0.10 0.00 0.84 0.00 0.00 57.88 59.05 2ee8 h LEU 89 Cb 0.54 0.18 -0.10 0.00 0.37 0.00 0.00 40.66 41.66 2ee8 h LEU 89 CO 0.03 -0.03 -0.15 0.00 -0.34 0.00 0.00 178.44 177.95 2ee8 h ALA 90 N 1.64 0.28 -0.27 1.25 0.00 -1.82 -1.12 119.26 119.22 2ee8 h ALA 90 Ca 0.46 0.19 -0.17 0.00 0.00 0.00 0.00 54.91 55.39 2ee8 h ALA 90 Cb 0.81 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2ee8 h ALA 90 CO -0.52 -0.47 -0.50 0.28 0.00 0.00 0.00 179.25 178.04 2ee8 h VAL 91 N -0.03 1.29 -1.00 0.00 2.07 -1.18 -3.07 116.25 114.32 2ee8 h VAL 91 Ca 0.24 -1.70 0.25 0.00 0.82 0.00 0.00 66.70 66.31 2ee8 h VAL 91 Cb 0.40 1.61 -0.08 0.00 -1.52 0.00 0.00 31.29 31.70 2ee8 h VAL 91 CO -0.54 0.55 0.66 -0.74 0.02 0.00 0.00 177.57 177.52 2ee8 h HIS 92 N 0.60 0.55 -0.76 1.57 6.17 0.34 0.26 115.15 123.89 2ee8 h HIS 92 Ca 0.03 0.02 0.22 0.00 0.71 0.00 0.00 60.37 61.34 2ee8 h HIS 92 Cb 1.08 -0.16 -0.03 0.00 2.52 0.00 0.00 27.41 30.81 2ee8 h HIS 92 CO 0.06 0.09 0.68 0.87 0.71 0.00 0.00 177.93 180.34 2ee8 h LYS 93 N 0.36 0.00 0.13 5.26 1.79 -1.29 0.83 116.57 123.65 2ee8 h LYS 93 Ca 0.54 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.83 2ee8 h LYS 93 Cb 1.44 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 32.11 2ee8 h LYS 93 CO -0.22 0.00 -0.78 1.79 -1.08 0.00 0.00 179.45 179.16 2ee8 h THR 94 N 0.00 1.52 -1.29 -0.16 1.35 -0.68 -3.29 112.91 110.36 2ee8 h THR 94 Ca 0.36 -2.53 0.38 0.00 -0.55 0.00 0.00 66.41 64.07 2ee8 h THR 94 Cb 1.72 3.20 -0.05 0.00 -1.73 0.00 0.00 68.15 71.29 2ee8 h THR 94 CO -0.00 0.71 0.94 -0.07 -0.25 0.00 0.00 175.52 176.85 2ee8 h LEU 95 N -0.41 0.00 -2.53 3.87 4.07 -0.87 0.65 115.31 120.09 2ee8 h LEU 95 Ca -0.14 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.70 2ee8 h LEU 95 Cb 1.61 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 43.28 2ee8 h LEU 95 CO 0.14 0.00 0.16 1.41 -1.08 0.00 0.00 178.44 179.07 2ee8 n HIS 96 N -4.11 0.73 -3.74 1.13 8.25 -1.14 -4.75 115.22 111.59 2ee8 n HIS 96 Ca 0.28 -0.87 -0.16 0.00 -0.26 0.00 0.00 57.72 56.72 2ee8 n HIS 96 Cb 1.36 -0.44 -0.16 0.00 1.12 0.00 0.00 29.99 31.88 2ee8 n HIS 96 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2ee8 s MET 97 N -0.79 -0.00 -0.02 -0.41 -1.94 0.23 -5.10 119.30 111.27 2ee8 s MET 97 Ca 0.14 0.30 0.00 0.00 -1.71 0.00 0.00 55.69 54.42 2ee8 s MET 97 Cb 0.11 -0.27 0.02 0.00 2.01 0.00 0.00 34.83 36.69 2ee8 s MET 97 CO 0.02 -0.21 -0.00 -1.14 -0.01 0.00 0.00 175.02 173.68 2ee8 s GLN 98 N 1.39 0.20 -0.20 2.03 0.74 -1.26 -5.03 119.66 117.53 2ee8 s GLN 98 Ca -0.06 0.03 -0.07 0.00 0.05 0.00 0.00 55.36 55.31 2ee8 s GLN 98 Cb -0.12 -0.32 0.09 0.00 1.10 0.00 0.00 33.01 33.76 2ee8 s GLN 98 CO -0.04 -0.06 0.43 0.99 -0.55 0.00 0.00 175.29 176.06 2ee8 s THR 99 N 0.59 -0.58 -0.04 -0.34 2.01 -1.26 -5.12 115.64 110.89 2ee8 s THR 99 Ca -0.06 0.15 -0.34 0.00 0.31 0.00 0.00 61.69 61.75 2ee8 s THR 99 Cb -0.08 -0.68 -0.12 0.00 0.01 0.00 0.00 72.50 71.62 2ee8 s THR 99 CO -0.01 0.06 1.81 -0.24 -0.69 0.00 0.00 174.62 175.55 2ee8 n SER 100 N 5.24 3.35 -4.88 3.53 2.88 -1.26 -4.96 113.62 117.52 2ee8 n SER 100 Ca -0.11 1.00 -0.35 0.00 -1.33 0.00 0.00 58.87 58.08 2ee8 n SER 100 Cb 0.50 -1.38 -0.05 0.00 -0.75 0.00 0.00 64.21 62.53 2ee8 n SER 100 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2ee8 s SER 101 N 3.38 6.48 1.16 -3.46 1.04 -1.26 -5.10 113.70 115.94 2ee8 s SER 101 Ca 0.90 0.54 -0.18 0.00 0.48 0.00 0.00 55.95 57.69 2ee8 s SER 101 Cb -0.70 -2.09 0.27 0.00 0.10 0.00 0.00 66.02 63.60 2ee8 s SER 101 CO 0.49 0.30 1.11 -2.16 0.98 0.00 0.00 173.24 173.95 2ee8 s PRO 102 N -1.57 -0.87 -0.17 4.02 0.04 -1.26 -5.02 135.00 130.18 2ee8 s PRO 102 Ca 0.24 0.06 -0.23 0.00 0.04 0.00 0.00 61.00 61.12 2ee8 s PRO 102 Cb -0.13 -1.63 -0.20 0.00 0.04 0.00 0.00 34.50 32.58 2ee8 s PRO 102 CO 0.13 -3.50 0.42 1.15 0.04 0.00 0.00 177.00 175.24 2ee8 h THR 103 N -2.43 1.20 -2.10 1.26 2.02 -2.06 -3.47 112.91 107.32 2ee8 h THR 103 Ca -0.47 -2.14 -0.61 0.00 0.77 0.00 0.00 66.41 63.96 2ee8 h THR 103 Cb 1.30 2.50 0.16 0.00 -1.74 0.00 0.00 68.15 70.37 2ee8 h THR 103 CO 0.40 0.41 -0.67 0.00 0.37 0.00 0.00 175.52 176.02 2ee8 n ALA 104 N -3.06 -2.19 -3.65 6.16 0.00 -1.26 -4.99 120.51 111.52 2ee8 n ALA 104 Ca -0.20 0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 2ee8 n ALA 104 Cb 0.54 -1.63 -0.11 0.00 0.00 0.00 0.00 19.45 18.25 2ee8 n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ee8 s ALA 105 N -1.61 -0.86 0.00 0.00 0.00 -1.26 -5.20 121.76 112.82 2ee8 s ALA 105 Ca 0.62 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.78 2ee8 s ALA 105 Cb -0.60 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.33 2ee8 s ALA 105 CO 0.60 -0.72 0.00 0.45 0.00 0.00 0.00 175.76 176.09