#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 -0.38 -0.04 1.61 1.04 -1.26 -5.18 113.70 109.48 2ee8 s SER 2 Ca 0.00 0.71 -0.29 0.00 0.48 0.00 0.00 55.95 56.84 2ee8 s SER 2 Cb 0.00 0.71 0.11 0.00 0.10 0.00 0.00 66.02 66.93 2ee8 s SER 2 CO 0.00 -0.15 0.92 -0.94 0.98 0.00 0.00 173.24 174.04 2ee8 s SER 3 N 0.04 -0.36 0.00 7.02 1.04 -1.26 -5.14 113.70 115.03 2ee8 s SER 3 Ca 0.03 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.55 2ee8 s SER 3 Cb -0.04 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2ee8 s SER 3 CO -0.07 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.21 2ee8 n GLY 4 N -0.04 0.20 4.14 7.32 0.00 -1.26 -5.00 105.19 110.55 2ee8 n GLY 4 Ca -0.09 0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2ee8 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ee8 n SER 5 N 0.00 -1.05 -3.79 1.61 3.41 -1.26 -4.83 113.62 107.71 2ee8 n SER 5 Ca 0.00 -1.09 -0.05 0.00 -0.26 0.00 0.00 58.87 57.46 2ee8 n SER 5 Cb 0.00 -1.39 -0.02 0.00 -0.26 0.00 0.00 64.21 62.54 2ee8 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2ee8 s SER 6 N -3.24 -0.23 0.16 4.04 0.01 -1.26 -5.19 113.70 108.00 2ee8 s SER 6 Ca 0.57 -0.48 -0.11 0.00 1.31 0.00 0.00 55.95 57.24 2ee8 s SER 6 Cb -0.33 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2ee8 s SER 6 CO 0.89 -1.10 0.33 -0.83 0.41 0.00 0.00 173.24 172.95 2ee8 s GLY 7 N -2.92 0.30 0.51 3.44 0.00 -1.26 -5.18 107.32 102.21 2ee8 s GLY 7 Ca 0.11 -0.70 0.06 0.00 0.00 0.00 0.00 44.72 44.20 2ee8 s GLY 7 CO 0.04 -0.69 0.38 -0.32 0.00 0.00 0.00 173.10 172.51 2ee8 s GLY 8 N -2.93 2.32 -0.35 0.20 0.00 -1.26 -5.08 107.32 100.22 2ee8 s GLY 8 Ca 0.14 -1.48 -0.28 0.00 0.00 0.00 0.00 44.72 43.10 2ee8 s GLY 8 CO -0.02 -1.89 1.03 0.50 0.00 0.00 0.00 173.10 172.72 2ee8 s ARG 9 N -4.22 3.96 -0.18 2.90 3.00 -1.26 -5.00 118.95 118.16 2ee8 s ARG 9 Ca 0.38 0.86 -0.05 0.00 0.00 0.00 0.00 55.73 56.92 2ee8 s ARG 9 Cb -0.02 -3.77 0.09 0.00 0.00 0.00 0.00 34.95 31.25 2ee8 s ARG 9 CO 0.23 -0.96 0.31 -0.51 0.00 0.00 0.00 175.30 174.37 2ee8 s LEU 10 N 3.67 -0.42 1.05 2.53 1.43 -1.26 -5.16 118.68 120.52 2ee8 s LEU 10 Ca 0.43 0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 53.91 2ee8 s LEU 10 Cb -0.12 0.89 0.21 0.00 0.03 0.00 0.00 46.19 47.21 2ee8 s LEU 10 CO 0.18 -0.26 1.10 -2.16 0.23 0.00 0.00 176.35 175.44 2ee8 s PRO 11 N 2.48 0.00 -0.14 1.29 0.04 -1.26 -5.06 135.00 132.35 2ee8 s PRO 11 Ca 0.03 0.37 0.01 0.00 0.04 0.00 0.00 61.00 61.46 2ee8 s PRO 11 Cb -0.13 -1.70 0.02 0.00 0.04 0.00 0.00 34.50 32.73 2ee8 s PRO 11 CO -0.11 -2.99 -0.17 0.45 0.04 0.00 0.00 177.00 174.22 2ee8 s SER 12 N -3.54 2.78 -0.14 6.66 0.15 -1.26 -5.03 113.70 113.32 2ee8 s SER 12 Ca 0.67 -0.52 -0.16 0.00 0.70 0.00 0.00 55.95 56.63 2ee8 s SER 12 Cb -0.17 -1.26 -0.13 0.00 -1.71 0.00 0.00 66.02 62.75 2ee8 s SER 12 CO 0.57 -0.01 0.28 0.11 1.20 0.00 0.00 173.24 175.40 2ee8 h LYS 13 N 7.76 0.00 -6.38 5.44 1.57 -2.09 -3.47 116.57 119.40 2ee8 h LYS 13 Ca -0.37 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.73 2ee8 h LYS 13 Cb 1.15 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.28 2ee8 h LYS 13 CO 0.54 0.55 -0.74 0.95 -0.57 0.00 0.00 179.45 180.19 2ee8 s THR 14 N -2.06 3.37 -0.07 -0.16 -4.23 -1.26 -5.12 115.64 106.10 2ee8 s THR 14 Ca -0.15 -0.90 0.03 0.00 -1.18 0.00 0.00 61.69 59.49 2ee8 s THR 14 Cb 0.00 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 2ee8 s THR 14 CO 0.40 0.38 -0.15 -0.75 -0.54 0.00 0.00 174.62 173.96 2ee8 s LYS 15 N -1.41 2.72 -0.19 3.99 2.47 -1.26 -5.01 119.74 121.05 2ee8 s LYS 15 Ca 0.16 -0.70 0.02 0.00 -1.56 0.00 0.00 55.97 53.88 2ee8 s LYS 15 Cb -0.11 -2.43 0.27 0.00 -1.46 0.00 0.00 37.83 34.11 2ee8 s LYS 15 CO 0.07 0.51 1.41 1.63 0.16 0.00 0.00 175.35 179.13 2ee8 n LYS 16 N 2.64 1.53 -4.16 4.03 4.76 -1.26 -4.86 118.16 120.83 2ee8 n LYS 16 Ca -0.17 -1.25 -0.14 0.00 -2.87 0.00 0.00 58.31 53.88 2ee8 n LYS 16 Cb 0.52 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 32.15 2ee8 n LYS 16 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2ee8 s GLU 17 N -1.37 1.60 0.08 1.97 0.41 -1.26 -5.16 118.70 114.96 2ee8 s GLU 17 Ca 0.24 -1.70 -0.09 0.00 -0.41 0.00 0.00 54.97 53.00 2ee8 s GLU 17 Cb 0.20 0.37 -0.06 0.00 -1.78 0.00 0.00 34.13 32.86 2ee8 s GLU 17 CO 0.04 -0.61 0.39 -0.06 -0.49 0.00 0.00 175.26 174.53 2ee8 s PHE 18 N -3.65 3.58 -0.05 1.61 0.08 -1.26 -5.04 117.98 113.26 2ee8 s PHE 18 Ca 0.34 0.76 0.02 0.00 0.12 0.00 0.00 56.93 58.18 2ee8 s PHE 18 Cb 0.03 -2.14 0.01 0.00 -0.57 0.00 0.00 43.02 40.35 2ee8 s PHE 18 CO 0.18 0.52 -0.10 0.42 -0.10 0.00 0.00 175.22 176.14 2ee8 s ILE 19 N -1.40 0.94 1.05 0.64 1.01 -1.26 -3.54 121.20 118.64 2ee8 s ILE 19 Ca 0.33 -0.40 -0.21 0.00 0.00 0.00 0.00 60.65 60.38 2ee8 s ILE 19 Cb -0.14 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 2ee8 s ILE 19 CO 0.18 0.30 -0.54 0.00 0.00 0.00 0.00 174.94 174.88 2ee8 n LYS 21 N -0.07 1.55 0.13 0.00 2.85 -1.26 -3.56 118.16 117.79 2ee8 n LYS 21 Ca 0.00 0.02 -0.13 0.00 -1.05 0.00 0.00 58.31 57.15 2ee8 n LYS 21 Cb 0.65 -1.17 -0.08 0.00 -0.65 0.00 0.00 35.03 33.78 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 -0.31 0.00 5.58 -1.00 -2.01 -3.37 116.94 115.84 2ee8 h PHE 22 Ca -0.18 -0.01 -0.31 0.00 2.81 0.00 0.00 57.97 60.28 2ee8 h PHE 22 Cb 1.34 0.10 -0.06 0.00 3.61 0.00 0.00 35.95 40.94 2ee8 h PHE 22 CO 0.00 0.00 -2.17 0.00 -1.61 0.00 0.00 178.31 174.53 2ee8 n GLY 24 N 2.09 0.71 3.91 0.00 0.00 -1.23 -5.03 105.19 105.64 2ee8 n GLY 24 Ca -0.30 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.76 3.57 0.21 1.61 3.52 -1.26 -4.75 118.95 118.09 2ee8 s ARG 25 Ca 0.00 -0.21 -0.04 0.00 -0.13 0.00 0.00 55.73 55.35 2ee8 s ARG 25 Cb 0.00 -2.80 -0.05 0.00 -1.56 0.00 0.00 34.95 30.53 2ee8 s ARG 25 CO 0.00 0.38 0.45 -1.01 -0.81 0.00 0.00 175.30 174.32 2ee8 s HIS 26 N -1.86 3.47 0.04 5.12 3.76 -1.26 -1.51 115.29 123.05 2ee8 s HIS 26 Ca 0.40 0.57 0.00 0.00 -0.15 0.00 0.00 55.06 55.89 2ee8 s HIS 26 Cb -0.11 -2.03 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 2ee8 s HIS 26 CO 0.28 0.32 -0.04 -0.06 -0.85 0.00 0.00 174.74 174.39 2ee8 s PHE 27 N -1.86 0.48 0.01 1.40 0.40 -1.23 -5.00 117.98 112.18 2ee8 s PHE 27 Ca 0.42 -0.69 -0.18 0.00 -0.60 0.00 0.00 56.93 55.89 2ee8 s PHE 27 Cb -0.11 -0.32 -0.33 0.00 0.51 0.00 0.00 43.02 42.77 2ee8 s PHE 27 CO 0.27 -0.20 0.99 1.15 0.70 0.00 0.00 175.22 178.12 2ee8 h THR 28 N 4.09 1.36 -4.05 0.64 2.02 -1.99 -3.42 112.91 111.56 2ee8 h THR 28 Ca -0.34 -2.58 -0.48 0.00 0.77 0.00 0.00 66.41 63.77 2ee8 h THR 28 Cb 1.19 3.02 -0.24 0.00 -1.74 0.00 0.00 68.15 70.37 2ee8 h THR 28 CO 0.49 0.76 -0.81 -1.59 0.37 0.00 0.00 175.52 174.75 2ee8 s LYS 29 N -2.64 1.05 0.36 6.66 -2.85 -1.26 -4.99 119.74 116.07 2ee8 s LYS 29 Ca -0.11 -0.85 0.10 0.00 -1.00 0.00 0.00 55.97 54.11 2ee8 s LYS 29 Cb 0.03 -1.11 0.85 0.00 -2.06 0.00 0.00 37.83 35.55 2ee8 s LYS 29 CO 0.91 0.27 1.85 0.66 0.10 0.00 0.00 175.35 179.14 2ee8 h SER 30 N 4.80 0.63 0.19 0.03 4.64 -1.96 -2.05 113.55 119.83 2ee8 h SER 30 Ca -0.40 0.05 0.01 0.00 -0.47 0.00 0.00 61.79 60.98 2ee8 h SER 30 Cb 1.18 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 2ee8 h SER 30 CO 0.43 0.30 -0.33 0.22 -0.87 0.00 0.00 176.83 176.58 2ee8 h TYR 31 N 0.65 -0.89 -1.00 4.77 5.03 -2.00 -1.93 116.97 121.61 2ee8 h TYR 31 Ca 0.47 0.02 0.17 0.00 2.58 0.00 0.00 58.73 61.96 2ee8 h TYR 31 Cb 0.82 0.36 -0.10 0.00 1.55 0.00 0.00 36.73 39.37 2ee8 h TYR 31 CO -0.00 -0.44 0.61 -0.97 -1.32 0.00 0.00 178.16 176.04 2ee8 h ASN 32 N -0.60 0.82 0.02 -2.11 -1.24 -1.80 -1.48 115.58 109.20 2ee8 h ASN 32 Ca 0.01 0.08 0.02 0.00 0.71 0.00 0.00 56.30 57.13 2ee8 h ASN 32 Cb 0.59 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.55 2ee8 h ASN 32 CO -0.15 0.34 -0.17 0.25 -1.29 0.00 0.00 177.43 176.42 2ee8 h LEU 33 N 0.83 -0.48 -0.83 0.34 5.85 -1.13 -1.78 115.31 118.11 2ee8 h LEU 33 Ca 0.55 0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.38 2ee8 h LEU 33 Cb 0.77 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 2ee8 h LEU 33 CO -0.35 -0.23 0.53 0.17 -0.34 0.00 0.00 178.44 178.22 2ee8 h LEU 34 N -0.29 0.87 -1.00 2.25 8.10 -0.77 -1.10 115.31 123.37 2ee8 h LEU 34 Ca 0.05 -0.00 0.08 0.00 0.11 0.00 0.00 57.88 58.11 2ee8 h LEU 34 Cb 0.34 -0.19 -0.07 0.00 -0.44 0.00 0.00 40.66 40.30 2ee8 h LEU 34 CO -0.14 0.59 0.64 0.40 -4.11 0.00 0.00 178.44 175.82 2ee8 h ILE 35 N 1.02 1.04 0.08 0.15 2.04 -0.82 -2.73 117.51 118.29 2ee8 h ILE 35 Ca 0.34 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2ee8 h ILE 35 Cb 0.04 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 35.94 2ee8 h ILE 35 CO -0.12 0.20 -0.04 -0.74 0.00 0.00 0.00 178.15 177.45 2ee8 h HIS 36 N 1.12 -0.09 -1.39 1.37 -0.00 -0.55 -3.11 115.15 112.51 2ee8 h HIS 36 Ca 0.45 -0.00 0.40 0.00 -0.00 0.00 0.00 60.37 61.22 2ee8 h HIS 36 Cb 0.25 0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 27.63 2ee8 h HIS 36 CO -0.00 0.40 1.13 0.93 -0.00 0.00 0.00 177.93 180.39 2ee8 h GLU 37 N -0.65 0.00 -0.76 5.26 4.39 -0.94 0.85 114.58 122.74 2ee8 h GLU 37 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2ee8 h GLU 37 Cb 0.54 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 2ee8 h GLU 37 CO 0.02 0.00 0.41 0.00 -1.16 0.00 0.00 179.01 178.28 2ee8 h ARG 38 N 0.00 1.06 -0.92 2.33 3.08 -1.43 -2.62 114.38 115.88 2ee8 h ARG 38 Ca 0.66 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.59 2ee8 h ARG 38 Cb 2.92 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 32.71 2ee8 h ARG 38 CO -0.01 0.79 0.60 1.79 -1.07 0.00 0.00 179.97 182.07 2ee8 h THR 39 N 1.05 1.24 -0.89 2.04 1.35 0.60 -2.48 112.91 115.82 2ee8 h THR 39 Ca 0.27 -0.45 0.23 0.00 -0.55 0.00 0.00 66.41 65.91 2ee8 h THR 39 Cb 0.04 -0.10 -0.13 0.00 -1.73 0.00 0.00 68.15 66.23 2ee8 h THR 39 CO -0.04 0.23 0.36 0.45 -0.25 0.00 0.00 175.52 176.27 2ee8 h HIS 40 N 1.25 0.58 -0.65 4.73 3.86 -1.46 -1.95 115.15 121.51 2ee8 h HIS 40 Ca 0.33 0.04 0.08 0.00 -1.16 0.00 0.00 60.37 59.67 2ee8 h HIS 40 Cb -0.13 -0.12 -0.09 0.00 1.06 0.00 0.00 27.41 28.13 2ee8 h HIS 40 CO -0.01 -0.10 -0.31 0.25 0.86 0.00 0.00 177.93 178.63 2ee8 n THR 41 N -5.09 -0.38 -3.98 2.45 -2.24 -0.94 -3.61 114.28 100.49 2ee8 n THR 41 Ca 0.22 1.55 -0.34 0.00 -2.27 0.00 0.00 64.05 63.21 2ee8 n THR 41 Cb 0.67 -1.99 -0.14 0.00 -2.10 0.00 0.00 70.33 66.77 2ee8 n THR 41 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2ee8 s ASP 42 N -5.27 4.43 0.14 3.42 1.01 -0.73 -5.01 116.67 114.65 2ee8 s ASP 42 Ca -0.09 -1.11 -0.18 0.00 0.71 0.00 0.00 52.55 51.88 2ee8 s ASP 42 Cb 0.11 -1.63 0.05 0.00 1.01 0.00 0.00 42.92 42.45 2ee8 s ASP 42 CO 0.44 -0.17 1.12 -0.62 0.21 0.00 0.00 175.17 176.15 2ee8 n GLU 43 N 4.59 -0.25 -3.89 8.23 4.71 -1.24 -4.73 120.64 128.06 2ee8 n GLU 43 Ca -0.15 1.10 -0.28 0.00 -0.01 0.00 0.00 57.16 57.82 2ee8 n GLU 43 Cb 0.45 -1.63 -0.03 0.00 -1.01 0.00 0.00 31.44 29.22 2ee8 n GLU 43 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2ee8 n ARG 44 N -4.98 -0.70 0.26 3.49 5.12 -1.26 -4.77 116.66 113.82 2ee8 n ARG 44 Ca 0.04 -0.02 0.14 0.00 -1.93 0.00 0.00 57.85 56.08 2ee8 n ARG 44 Cb 0.23 -2.01 0.62 0.00 -1.16 0.00 0.00 32.46 30.14 2ee8 n ARG 44 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2ee8 h PRO 45 N -0.99 0.00 -6.07 5.56 0.13 -1.86 -3.40 132.00 125.37 2ee8 h PRO 45 Ca -0.49 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.06 2ee8 h PRO 45 Cb 1.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.03 2ee8 h PRO 45 CO 0.44 0.10 1.10 0.71 -0.23 0.00 0.00 178.00 180.12 2ee8 s TYR 46 N -3.74 2.46 -0.07 1.56 2.02 -1.26 -4.98 117.35 113.35 2ee8 s TYR 46 Ca 0.00 -0.44 0.04 0.00 -0.37 0.00 0.00 57.07 56.30 2ee8 s TYR 46 Cb 0.10 -4.58 0.00 0.00 -0.40 0.00 0.00 41.96 37.08 2ee8 s TYR 46 CO 0.58 -1.94 -0.19 0.99 -1.57 0.00 0.00 175.55 173.42 2ee8 s THR 47 N 5.08 1.64 1.22 -0.71 2.01 -1.26 -2.07 115.64 121.55 2ee8 s THR 47 Ca 0.36 -0.80 -0.18 0.00 0.31 0.00 0.00 61.69 61.38 2ee8 s THR 47 Cb -0.07 -1.42 0.29 0.00 0.01 0.00 0.00 72.50 71.32 2ee8 s THR 47 CO 0.05 0.47 1.05 0.00 -0.69 0.00 0.00 174.62 175.50 2ee8 n ASP 49 N -4.93 0.29 0.00 0.00 8.00 -1.26 -4.04 116.55 114.61 2ee8 n ASP 49 Ca 0.10 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.72 2ee8 n ASP 49 Cb 0.58 1.26 0.00 0.00 -0.02 0.00 0.00 41.12 42.94 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 -2.52 0.00 0.54 0.53 5.41 -1.26 -4.70 119.36 117.37 2ee8 n ILE 50 Ca -0.09 0.10 0.05 0.00 1.00 0.00 0.00 62.75 63.82 2ee8 n ILE 50 Cb 0.71 -1.00 0.28 0.00 -0.71 0.00 0.00 39.64 38.92 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 -1.24 -0.87 -1.95 0.00 8.25 -1.26 -4.86 115.22 113.29 2ee8 n HIS 52 Ca 0.06 0.45 -0.30 0.00 -0.26 0.00 0.00 57.72 57.66 2ee8 n HIS 52 Cb 0.08 -1.78 0.02 0.00 1.12 0.00 0.00 29.99 29.42 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 -5.91 3.41 -0.23 -0.41 1.02 -1.26 -4.57 119.74 111.78 2ee8 s LYS 53 Ca 0.19 0.62 -0.09 0.00 0.02 0.00 0.00 55.97 56.70 2ee8 s LYS 53 Cb -0.11 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 2ee8 s LYS 53 CO 0.72 -0.65 0.13 0.00 -0.92 0.00 0.00 175.35 174.62 2ee8 s ALA 54 N -3.18 3.50 0.41 5.17 0.00 -1.26 -2.87 121.76 123.52 2ee8 s ALA 54 Ca 0.55 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.68 2ee8 s ALA 54 Cb -0.11 -2.21 -0.06 0.00 0.00 0.00 0.00 23.12 20.74 2ee8 s ALA 54 CO 0.53 -0.17 0.09 -0.06 0.00 0.00 0.00 175.76 176.15 2ee8 s PHE 55 N 1.02 2.56 -0.22 0.00 0.40 -0.88 -5.06 117.98 115.80 2ee8 s PHE 55 Ca 0.06 -0.61 -0.05 0.00 -0.60 0.00 0.00 56.93 55.73 2ee8 s PHE 55 Cb -0.14 -1.85 -0.19 0.00 0.51 0.00 0.00 43.02 41.36 2ee8 s PHE 55 CO 0.04 0.32 -0.07 2.89 0.70 0.00 0.00 175.22 179.10 2ee8 n ARG 56 N -1.10 0.66 -3.03 0.44 1.85 -1.26 -4.49 116.66 109.73 2ee8 n ARG 56 Ca -0.03 0.23 -0.15 0.00 -1.00 0.00 0.00 57.85 56.90 2ee8 n ARG 56 Cb 0.65 -1.58 -0.02 0.00 -1.05 0.00 0.00 32.46 30.47 2ee8 n ARG 56 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2ee8 n ARG 57 N -3.58 1.18 -0.13 2.89 1.74 -1.26 -4.96 116.66 112.55 2ee8 n ARG 57 Ca -0.43 -1.88 -0.25 0.00 -0.77 0.00 0.00 57.85 54.52 2ee8 n ARG 57 Cb 0.96 0.34 -0.09 0.00 -1.02 0.00 0.00 32.46 32.65 2ee8 n ARG 57 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2ee8 n GLN 58 N -0.96 0.57 -0.31 5.56 7.27 -1.26 -4.10 117.38 124.15 2ee8 n GLN 58 Ca -0.05 0.29 0.16 0.00 0.07 0.00 0.00 57.00 57.47 2ee8 n GLN 58 Cb 0.34 -1.51 0.34 0.00 2.41 0.00 0.00 30.24 31.82 2ee8 n GLN 58 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 2ee8 h ASP 59 N -1.00 0.06 -0.04 1.69 1.82 -1.99 0.27 116.42 117.23 2ee8 h ASP 59 Ca -0.52 0.21 -0.00 0.00 -0.39 0.00 0.00 57.03 56.33 2ee8 h ASP 59 Cb 1.44 0.27 -0.00 0.00 0.68 0.00 0.00 39.33 41.72 2ee8 h ASP 59 CO -0.32 -0.19 0.02 0.45 -1.61 0.00 0.00 179.24 177.59 2ee8 h HIS 60 N 0.19 0.06 0.07 0.28 3.86 -2.00 -2.29 115.15 115.31 2ee8 h HIS 60 Ca 0.61 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.82 2ee8 h HIS 60 Cb 1.30 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.76 2ee8 h HIS 60 CO -0.23 0.13 -0.03 1.25 0.86 0.00 0.00 177.93 179.90 2ee8 h LEU 61 N -0.03 -0.08 -0.56 2.43 5.85 -0.81 0.31 115.31 122.42 2ee8 h LEU 61 Ca 0.01 -0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.80 2ee8 h LEU 61 Cb 0.09 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.03 2ee8 h LEU 61 CO -0.00 -0.00 -0.18 -0.09 -0.34 0.00 0.00 178.44 177.82 2ee8 h ARG 62 N -0.15 -0.05 -0.27 1.25 1.12 -0.57 0.34 114.38 116.05 2ee8 h ARG 62 Ca -0.01 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.73 2ee8 h ARG 62 Cb 0.12 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.09 2ee8 h ARG 62 CO 0.02 -0.03 -0.36 0.22 -3.11 0.00 0.00 179.97 176.71 2ee8 h ASP 63 N -0.05 0.79 -0.93 -3.80 3.58 -1.26 -3.14 116.42 111.60 2ee8 h ASP 63 Ca 0.26 -0.50 0.16 0.00 0.42 0.00 0.00 57.03 57.38 2ee8 h ASP 63 Cb 0.45 -0.22 -0.10 0.00 1.72 0.00 0.00 39.33 41.18 2ee8 h ASP 63 CO -0.60 1.13 0.53 -0.74 -2.88 0.00 0.00 179.24 176.68 2ee8 h HIS 64 N 0.46 0.93 -0.37 0.28 2.76 0.84 0.54 115.15 120.60 2ee8 h HIS 64 Ca 0.03 0.03 0.11 0.00 -2.20 0.00 0.00 60.37 58.34 2ee8 h HIS 64 Cb 0.94 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.61 2ee8 h HIS 64 CO 0.08 0.23 0.92 -0.09 -1.30 0.00 0.00 177.93 177.76 2ee8 h ARG 65 N 0.72 0.00 -0.72 5.26 2.43 -0.93 0.60 114.38 121.73 2ee8 h ARG 65 Ca 0.52 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.69 2ee8 h ARG 65 Cb 0.75 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.27 2ee8 h ARG 65 CO -0.37 0.00 0.45 1.88 -1.51 0.00 0.00 179.97 180.42 2ee8 h TYR 66 N 0.00 0.94 -0.98 2.20 -1.99 -1.07 -2.25 116.97 113.81 2ee8 h TYR 66 Ca 0.17 0.01 0.28 0.00 2.00 0.00 0.00 58.73 61.20 2ee8 h TYR 66 Cb 2.00 -0.31 -0.04 0.00 2.00 0.00 0.00 36.73 40.38 2ee8 h TYR 66 CO 0.00 0.62 1.21 -0.84 -0.00 0.00 0.00 178.16 179.15 2ee8 h ILE 67 N 0.98 0.00 -3.48 -2.88 3.07 0.02 -3.35 117.51 111.87 2ee8 h ILE 67 Ca 0.26 0.00 -0.60 0.00 1.55 0.00 0.00 64.86 66.07 2ee8 h ILE 67 Cb -0.06 0.00 -0.11 0.00 -0.27 0.00 0.00 36.82 36.38 2ee8 h ILE 67 CO -0.05 0.00 -0.16 -1.00 -1.05 0.00 0.00 178.15 175.88 2ee8 s HIS 68 N -4.42 3.37 0.31 0.16 3.76 -0.85 -5.05 115.29 112.57 2ee8 s HIS 68 Ca -0.02 0.64 -0.29 0.00 -0.15 0.00 0.00 55.06 55.24 2ee8 s HIS 68 Cb 0.13 -2.56 -0.10 0.00 1.11 0.00 0.00 32.58 31.16 2ee8 s HIS 68 CO 0.44 -0.04 1.30 0.45 -0.85 0.00 0.00 174.74 176.04 2ee8 s SER 69 N 1.09 6.81 0.25 1.40 0.15 -1.26 -4.91 113.70 117.23 2ee8 s SER 69 Ca 0.20 2.64 -0.27 0.00 0.70 0.00 0.00 55.95 59.22 2ee8 s SER 69 Cb -0.15 -2.64 -0.16 0.00 -1.71 0.00 0.00 66.02 61.36 2ee8 s SER 69 CO 0.08 -0.52 0.56 0.29 1.20 0.00 0.00 173.24 174.86 2ee8 n LYS 70 N 1.06 0.27 -0.01 5.44 4.76 -1.26 -4.93 118.16 123.48 2ee8 n LYS 70 Ca 0.01 0.09 -0.03 0.00 -2.87 0.00 0.00 58.31 55.51 2ee8 n LYS 70 Cb 0.42 -1.17 -0.01 0.00 -1.84 0.00 0.00 35.03 32.42 2ee8 n LYS 70 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2ee8 n GLU 71 N 0.96 0.19 -3.69 1.97 2.13 -1.26 -5.03 120.64 115.91 2ee8 n GLU 71 Ca 0.15 0.07 -0.36 0.00 0.66 0.00 0.00 57.16 57.69 2ee8 n GLU 71 Cb 0.28 -0.77 -0.06 0.00 0.27 0.00 0.00 31.44 31.17 2ee8 n GLU 71 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2ee8 s LYS 72 N -2.10 3.67 -0.01 5.31 -0.14 -1.26 -5.02 119.74 120.19 2ee8 s LYS 72 Ca -0.10 0.10 -0.25 0.00 -1.36 0.00 0.00 55.97 54.36 2ee8 s LYS 72 Cb 0.01 -3.15 -0.19 0.00 -1.68 0.00 0.00 37.83 32.83 2ee8 s LYS 72 CO 0.15 0.69 1.28 -1.00 -0.76 0.00 0.00 175.35 175.71 2ee8 h PRO 73 N 4.46 0.07 -6.49 -1.68 0.13 -2.00 -3.43 132.00 123.06 2ee8 h PRO 73 Ca -0.52 -0.04 -0.53 0.00 -0.87 0.00 0.00 66.00 64.04 2ee8 h PRO 73 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ee8 h PRO 73 CO 0.62 0.54 0.50 -0.59 -0.23 0.00 0.00 178.00 178.83 2ee8 s PHE 74 N -4.27 3.52 -0.20 1.56 -0.12 -1.26 -5.02 117.98 112.19 2ee8 s PHE 74 Ca -0.16 1.46 -0.04 0.00 -0.05 0.00 0.00 56.93 58.14 2ee8 s PHE 74 Cb 0.02 -3.32 0.09 0.00 -0.63 0.00 0.00 43.02 39.19 2ee8 s PHE 74 CO 0.69 -0.83 0.21 0.21 -0.05 0.00 0.00 175.22 175.45 2ee8 s LYS 75 N 0.82 0.18 0.36 1.99 2.20 -1.26 -4.80 119.74 119.23 2ee8 s LYS 75 Ca 0.55 0.17 -0.15 0.00 -0.36 0.00 0.00 55.97 56.19 2ee8 s LYS 75 Cb -0.27 -1.26 -0.12 0.00 -1.51 0.00 0.00 37.83 34.67 2ee8 s LYS 75 CO 0.30 -0.66 -0.03 0.00 -0.36 0.00 0.00 175.35 174.59 2ee8 n GLN 77 N 1.13 0.71 0.09 0.00 7.27 -1.26 -2.14 117.38 123.18 2ee8 n GLN 77 Ca 0.07 0.21 -0.12 0.00 0.07 0.00 0.00 57.00 57.23 2ee8 n GLN 77 Cb 0.35 -1.65 -0.05 0.00 2.41 0.00 0.00 30.24 31.30 2ee8 n GLN 77 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2ee8 h GLU 78 N 0.04 -0.34 0.00 3.69 4.39 -1.99 -3.39 114.58 116.98 2ee8 h GLU 78 Ca -0.46 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2ee8 h GLU 78 Cb 2.01 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.74 2ee8 h GLU 78 CO 0.03 -0.22 -0.86 0.00 -1.16 0.00 0.00 179.01 176.80 2ee8 n GLY 80 N 3.14 -0.97 3.98 0.00 0.00 -0.91 -4.98 105.19 105.45 2ee8 n GLY 80 Ca 0.00 0.47 -0.19 0.00 0.00 0.00 0.00 46.02 46.30 2ee8 n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ee8 s LYS 81 N -2.48 2.62 -1.43 1.61 -2.85 -1.26 -4.84 119.74 111.11 2ee8 s LYS 81 Ca 0.08 -1.43 -0.13 0.00 -1.00 0.00 0.00 55.97 53.48 2ee8 s LYS 81 Cb -0.02 -2.61 0.06 0.00 -2.06 0.00 0.00 37.83 33.20 2ee8 s LYS 81 CO 0.46 -0.39 2.17 0.41 0.10 0.00 0.00 175.35 178.10 2ee8 n GLY 82 N -1.85 4.43 3.20 0.59 0.00 -1.26 -4.59 105.19 105.71 2ee8 n GLY 82 Ca 0.08 -1.66 -0.27 0.00 0.00 0.00 0.00 46.02 44.18 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 5.84 -2.71 -0.02 1.61 3.01 -1.26 -5.00 117.46 118.94 2ee8 n PHE 83 Ca 0.50 -0.36 -0.02 0.00 1.01 0.00 0.00 57.45 58.58 2ee8 n PHE 83 Cb 0.39 -1.43 -0.02 0.00 -0.01 0.00 0.00 39.48 38.40 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 -2.07 1.42 -0.08 0.00 -1.52 -1.26 -5.09 119.66 111.06 2ee8 s GLN 85 Ca -0.03 -1.78 -0.13 0.00 -1.95 0.00 0.00 55.36 51.47 2ee8 s GLN 85 Cb 0.01 0.24 -0.09 0.00 -0.22 0.00 0.00 33.01 32.95 2ee8 s GLN 85 CO 0.10 -0.47 0.47 1.03 -0.25 0.00 0.00 175.29 176.16 2ee8 h SER 86 N 2.43 -0.15 -0.78 5.90 0.87 -1.98 -3.27 113.55 116.56 2ee8 h SER 86 Ca -0.32 -0.23 0.24 0.00 -1.23 0.00 0.00 61.79 60.25 2ee8 h SER 86 Cb 1.24 0.04 -0.14 0.00 -0.44 0.00 0.00 62.40 63.10 2ee8 h SER 86 CO 0.48 0.42 0.12 0.54 -0.53 0.00 0.00 176.83 177.86 2ee8 n ARG 87 N -4.87 -0.06 0.26 2.24 1.74 -1.26 0.77 116.66 115.48 2ee8 n ARG 87 Ca -0.05 1.15 -0.16 0.00 -0.77 0.00 0.00 57.85 58.02 2ee8 n ARG 87 Cb 0.18 -1.88 -0.08 0.00 -1.02 0.00 0.00 32.46 29.66 2ee8 n ARG 87 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 2ee8 h THR 88 N 0.00 0.50 -0.85 0.55 1.35 -2.00 -2.76 112.91 109.71 2ee8 h THR 88 Ca 0.52 0.00 0.22 0.00 -0.55 0.00 0.00 66.41 66.60 2ee8 h THR 88 Cb 1.18 0.50 -0.14 0.00 -1.73 0.00 0.00 68.15 67.96 2ee8 h THR 88 CO -0.70 0.00 0.19 0.25 -0.25 0.00 0.00 175.52 175.01 2ee8 h LEU 89 N -0.64 -0.06 0.11 3.87 5.85 0.30 0.27 115.31 125.01 2ee8 h LEU 89 Ca -0.06 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2ee8 h LEU 89 Cb 0.51 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 2ee8 h LEU 89 CO 0.08 -0.15 -0.20 0.00 -0.34 0.00 0.00 178.44 177.83 2ee8 h ALA 90 N 1.76 -0.80 -0.74 1.25 0.00 -1.15 0.12 119.26 119.70 2ee8 h ALA 90 Ca 0.52 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.46 2ee8 h ALA 90 Cb 1.02 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 2ee8 h ALA 90 CO -0.65 -0.84 0.49 0.28 0.00 0.00 0.00 179.25 178.53 2ee8 h VAL 91 N -0.33 0.95 -0.25 0.00 2.07 -1.23 -1.99 116.25 115.47 2ee8 h VAL 91 Ca -0.01 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2ee8 h VAL 91 Cb 0.31 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2ee8 h VAL 91 CO -0.07 0.12 0.16 -0.74 0.02 0.00 0.00 177.57 177.06 2ee8 h HIS 92 N 0.67 0.31 -0.94 1.57 6.17 0.02 -1.46 115.15 121.50 2ee8 h HIS 92 Ca 0.34 0.01 0.27 0.00 0.71 0.00 0.00 60.37 61.69 2ee8 h HIS 92 Cb 0.43 -0.10 -0.14 0.00 2.52 0.00 0.00 27.41 30.11 2ee8 h HIS 92 CO -0.00 0.20 0.40 0.87 0.71 0.00 0.00 177.93 180.10 2ee8 h LYS 93 N 0.34 0.29 -0.03 5.26 1.79 0.03 0.22 116.57 124.46 2ee8 h LYS 93 Ca 0.09 -0.02 -0.12 0.00 -2.18 0.00 0.00 60.65 58.42 2ee8 h LYS 93 Cb -0.04 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 30.56 2ee8 h LYS 93 CO -0.02 0.19 -0.46 1.79 -1.08 0.00 0.00 179.45 179.86 2ee8 h THR 94 N 0.29 1.44 -0.94 -0.16 1.35 -1.47 -3.29 112.91 110.14 2ee8 h THR 94 Ca 0.63 -1.95 0.29 0.00 -0.55 0.00 0.00 66.41 64.83 2ee8 h THR 94 Cb 1.32 2.52 -0.17 0.00 -1.73 0.00 0.00 68.15 70.09 2ee8 h THR 94 CO -0.61 0.56 0.14 0.18 -0.25 0.00 0.00 175.52 175.53 2ee8 n LEU 95 N -4.32 -0.00 -0.18 3.87 4.77 0.04 -0.69 117.00 120.49 2ee8 n LEU 95 Ca -0.09 1.58 -0.09 0.00 -0.03 0.00 0.00 56.01 57.38 2ee8 n LEU 95 Cb 0.60 -0.62 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 2ee8 n LEU 95 CO 0.44 -1.64 0.49 0.45 -1.33 0.00 0.00 177.39 175.80 2ee8 h HIS 96 N 0.00 -1.23 -2.91 -1.77 3.86 -1.56 -2.09 115.15 109.46 2ee8 h HIS 96 Ca 0.62 0.07 -0.56 0.00 -1.16 0.00 0.00 60.37 59.34 2ee8 h HIS 96 Cb 1.40 0.60 -0.03 0.00 1.06 0.00 0.00 27.41 30.43 2ee8 h HIS 96 CO -0.36 -0.30 0.89 0.00 0.86 0.00 0.00 177.93 179.01 2ee8 s MET 97 N -4.76 4.25 -1.23 2.45 0.23 0.14 -3.46 119.30 116.91 2ee8 s MET 97 Ca -0.09 1.73 -0.01 0.00 -1.03 0.00 0.00 55.69 56.28 2ee8 s MET 97 Cb 0.07 -3.74 -0.01 0.00 -1.53 0.00 0.00 34.83 29.62 2ee8 s MET 97 CO 0.42 -0.67 0.87 1.04 -2.03 0.00 0.00 175.02 174.64 2ee8 n GLN 98 N 6.38 -5.37 -1.67 3.16 6.02 -1.26 -4.86 117.38 119.78 2ee8 n GLN 98 Ca 0.14 0.75 -0.47 0.00 -0.01 0.00 0.00 57.00 57.40 2ee8 n GLN 98 Cb 0.45 -5.53 -0.05 0.00 1.02 0.00 0.00 30.24 26.13 2ee8 n GLN 98 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2ee8 n THR 99 N -4.10 0.16 -3.73 5.09 5.66 -0.78 -4.95 114.28 111.63 2ee8 n THR 99 Ca -0.27 -0.03 -0.29 0.00 -3.05 0.00 0.00 64.05 60.41 2ee8 n THR 99 Cb 0.67 -1.57 -0.13 0.00 -1.55 0.00 0.00 70.33 67.75 2ee8 n THR 99 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2ee8 s SER 100 N 1.78 3.64 -0.23 1.09 0.01 -1.26 -5.07 113.70 113.66 2ee8 s SER 100 Ca 0.83 -2.92 0.01 0.00 1.31 0.00 0.00 55.95 55.19 2ee8 s SER 100 Cb -0.71 -1.12 0.06 0.00 0.21 0.00 0.00 66.02 64.46 2ee8 s SER 100 CO 0.43 -0.22 -0.06 -0.44 0.41 0.00 0.00 173.24 173.36 2ee8 s SER 101 N -0.04 3.83 1.12 2.44 0.01 -1.26 -5.13 113.70 114.67 2ee8 s SER 101 Ca 0.21 -1.15 -0.16 0.00 1.31 0.00 0.00 55.95 56.15 2ee8 s SER 101 Cb -0.18 -1.20 0.25 0.00 0.21 0.00 0.00 66.02 65.11 2ee8 s SER 101 CO -0.05 -0.23 1.10 -2.16 0.41 0.00 0.00 173.24 172.32 2ee8 s PRO 102 N 1.39 -0.58 -0.16 12.44 0.04 -1.26 -5.02 135.00 141.84 2ee8 s PRO 102 Ca -0.06 0.16 -0.22 0.00 0.04 0.00 0.00 61.00 60.92 2ee8 s PRO 102 Cb -0.19 -1.65 -0.23 0.00 0.04 0.00 0.00 34.50 32.47 2ee8 s PRO 102 CO -0.06 -3.33 0.46 1.15 0.04 0.00 0.00 177.00 175.25 2ee8 h THR 103 N -2.31 1.20 -5.79 1.26 2.02 -2.03 -3.48 112.91 103.78 2ee8 h THR 103 Ca -0.49 -2.28 -0.43 0.00 0.77 0.00 0.00 66.41 63.98 2ee8 h THR 103 Cb 1.31 2.68 0.06 0.00 -1.74 0.00 0.00 68.15 70.46 2ee8 h THR 103 CO 0.44 0.49 -0.69 0.00 0.37 0.00 0.00 175.52 176.13 2ee8 n ALA 104 N -3.08 -1.24 -0.02 6.16 0.00 -1.26 -4.89 120.51 116.19 2ee8 n ALA 104 Ca -0.24 0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 2ee8 n ALA 104 Cb 0.67 -4.85 -0.03 0.00 0.00 0.00 0.00 19.45 15.25 2ee8 n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ee8 h ALA 105 N 1.00 -0.02 0.00 0.00 0.00 -2.05 -3.56 119.26 114.63 2ee8 h ALA 105 Ca -0.56 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2ee8 h ALA 105 Cb 1.37 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2ee8 h ALA 105 CO 0.60 -0.58 0.00 0.43 0.00 0.00 0.00 179.25 179.70