#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8h n ARG 3 N 0.00 0.00 -3.25 -0.52 1.74 -1.26 -5.03 116.66 108.34 3i8h n ARG 3 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i8h n ARG 3 Cb 0.00 -0.41 0.00 0.00 -1.02 0.00 0.00 32.46 31.03 3i8h n ARG 3 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3i8h n SER 4 N -2.03 0.00 0.00 0.55 3.41 -1.26 -5.09 113.62 109.20 3i8h n SER 4 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i8h n SER 4 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3i8h n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i8h n LEU 5 N 0.00 0.00 -3.35 1.04 -0.00 -1.26 -5.17 117.00 108.26 3i8h n LEU 5 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.71 3i8h n LEU 5 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.45 3i8h n LEU 5 CO 0.00 0.00 -0.99 1.17 -0.00 0.00 0.00 177.39 177.57 3i8h n LYS 6 N 0.00 0.00 -2.09 1.47 3.00 -1.26 -4.61 118.16 114.67 3i8h n LYS 6 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3i8h n LYS 6 Cb 0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 35.03 34.20 3i8h n LYS 6 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3i8h n LYS 7 N 1.89 -1.80 0.00 1.64 4.81 -1.26 -4.80 118.16 118.64 3i8h n LYS 7 Ca 0.00 1.68 0.00 0.00 -0.87 0.00 0.00 58.31 59.12 3i8h n LYS 7 Cb 0.45 -3.16 0.00 0.00 0.02 0.00 0.00 35.03 32.34 3i8h n LYS 7 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i8h n GLY 8 N 0.40 3.74 2.68 3.14 0.00 -1.26 -5.01 105.19 108.88 3i8h n GLY 8 Ca -0.02 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.40 3i8h n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i8h n VAL 9 N 0.00 -5.32 -3.71 1.61 0.31 -1.26 -4.87 118.33 105.09 3i8h n VAL 9 Ca 0.00 1.09 -0.38 0.00 -0.01 0.00 0.00 64.34 65.04 3i8h n VAL 9 Cb 0.00 -3.78 -0.11 0.00 -0.91 0.00 0.00 33.84 29.04 3i8h n VAL 9 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3i8h s PHE 10 N -0.24 3.54 -0.04 3.52 0.40 -1.26 -5.03 117.98 118.86 3i8h s PHE 10 Ca -0.08 -2.25 0.00 0.00 -0.60 0.00 0.00 56.93 54.01 3i8h s PHE 10 Cb 0.01 -3.30 -0.03 0.00 0.51 0.00 0.00 43.02 40.20 3i8h s PHE 10 CO 0.21 -0.98 -0.02 0.54 0.70 0.00 0.00 175.22 175.68 3i8h s VAL 11 N 1.21 4.09 1.15 -0.44 0.11 -1.26 -3.46 120.40 121.79 3i8h s VAL 11 Ca 0.07 -0.47 -0.19 0.00 -2.93 0.00 0.00 61.98 58.47 3i8h s VAL 11 Cb -0.24 -2.76 0.30 0.00 -1.53 0.00 0.00 36.38 32.15 3i8h s VAL 11 CO -0.03 0.50 0.70 0.47 -3.33 0.00 0.00 175.10 173.41 3i8h n ASP 12 N 1.82 -3.55 -0.00 3.54 9.92 -1.26 -4.95 116.55 122.08 3i8h n ASP 12 Ca -0.17 -0.73 0.03 0.00 -0.53 0.00 0.00 54.79 53.39 3i8h n ASP 12 Cb 0.53 -0.79 -0.04 0.00 -0.64 0.00 0.00 41.12 40.19 3i8h n ASP 12 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3i8h n ASP 13 N -5.17 0.92 -0.01 -2.24 8.00 -1.26 -4.12 116.55 112.66 3i8h n ASP 13 Ca 0.11 -0.51 -0.02 0.00 0.71 0.00 0.00 54.79 55.07 3i8h n ASP 13 Cb 0.47 1.05 -0.01 0.00 -0.02 0.00 0.00 41.12 42.61 3i8h n ASP 13 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 3i8h h HIS 14 N 0.00 -0.24 0.01 1.24 3.86 -2.00 -2.38 115.15 115.64 3i8h h HIS 14 Ca 0.00 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 3i8h h HIS 14 Cb 0.16 0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.75 3i8h h HIS 14 CO 0.00 -0.07 -0.12 1.37 0.86 0.00 0.00 177.93 179.97 3i8h h LEU 15 N -0.07 0.08 -1.56 2.43 -0.00 -1.97 -3.04 115.31 111.18 3i8h h LEU 15 Ca 0.01 -0.90 0.51 0.00 -0.00 0.00 0.00 57.88 57.49 3i8h h LEU 15 Cb 0.09 -0.03 -0.12 0.00 -0.00 0.00 0.00 40.66 40.61 3i8h h LEU 15 CO -0.08 0.97 1.06 -0.11 -0.00 0.00 0.00 178.44 180.28 3i8h n LEU 16 N -4.57 0.14 -0.05 0.17 7.94 -1.24 0.34 117.00 119.73 3i8h n LEU 16 Ca -0.10 1.24 -0.01 0.00 -1.11 0.00 0.00 56.01 56.03 3i8h n LEU 16 Cb 0.49 -0.61 -0.00 0.00 0.53 0.00 0.00 43.42 43.82 3i8h n LEU 16 CO 0.36 -1.32 -0.08 -0.08 -1.11 0.00 0.00 177.39 175.16 3i8h h GLU 17 N 0.00 0.00 -0.97 1.96 4.22 -1.52 -2.80 114.58 115.47 3i8h h GLU 17 Ca 0.89 0.00 0.08 0.00 0.08 0.00 0.00 59.36 60.41 3i8h h GLU 17 Cb 3.12 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 32.30 3i8h h GLU 17 CO -0.31 0.00 0.62 -0.22 -2.18 0.00 0.00 179.01 176.92 3i8h h LYS 18 N -0.98 1.05 0.65 1.92 1.63 -0.18 0.72 116.57 121.38 3i8h h LYS 18 Ca 0.00 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.71 3i8h h LYS 18 Cb 0.12 -0.24 0.01 0.00 -0.60 0.00 0.00 32.23 31.52 3i8h h LYS 18 CO 0.00 0.69 -0.31 0.28 -3.45 0.00 0.00 179.45 176.66 3i8h h VAL 19 N 1.08 0.14 -0.35 2.00 2.07 0.57 -2.23 116.25 119.54 3i8h h VAL 19 Ca 0.44 -0.33 0.10 0.00 0.82 0.00 0.00 66.70 67.73 3i8h h VAL 19 Cb 0.26 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3i8h h VAL 19 CO -0.20 0.02 0.31 -0.07 0.02 0.00 0.00 177.57 177.65 3i8h h LEU 20 N -1.16 0.00 -0.94 2.57 3.38 -1.34 0.76 115.31 118.59 3i8h h LEU 20 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3i8h h LEU 20 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3i8h h LEU 20 CO 0.15 0.00 0.00 -0.08 0.09 0.00 0.00 178.44 178.60 3i8h h GLU 21 N 0.00 0.00 -0.01 1.13 4.81 -0.57 -2.93 114.58 117.00 3i8h h GLU 21 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3i8h h GLU 21 Cb 0.78 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.16 3i8h h GLU 21 CO -0.00 0.00 -0.19 1.28 -0.73 0.00 0.00 179.01 179.36 3i8h n LEU 22 N -2.95 1.48 -0.02 1.64 4.32 0.24 -4.15 117.00 117.56 3i8h n LEU 22 Ca 0.02 -0.81 -0.13 0.00 -0.02 0.00 0.00 56.01 55.07 3i8h n LEU 22 Cb 0.36 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.16 3i8h n LEU 22 CO 0.28 0.29 0.40 0.78 -1.22 0.00 0.00 177.39 177.92 3i8h h ASN 23 N 1.55 0.77 -4.80 -1.43 -0.26 -0.70 -2.96 115.58 107.75 3i8h h ASN 23 Ca 0.00 -0.45 -0.45 0.00 -0.56 0.00 0.00 56.30 54.84 3i8h h ASN 23 Cb 0.43 -0.22 0.13 0.00 -1.06 0.00 0.00 38.32 37.59 3i8h h ASN 23 CO 0.00 1.21 0.26 0.00 -1.06 0.00 0.00 177.43 177.84 3i8h n ALA 24 N -2.55 -0.60 -0.89 -0.83 0.00 -1.20 -3.53 120.51 110.90 3i8h n ALA 24 Ca -0.05 -1.88 0.00 0.00 0.00 0.00 0.00 53.44 51.51 3i8h n ALA 24 Cb 0.66 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.25 3i8h n ALA 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i8h n LYS 25 N -3.32 -1.42 -2.16 0.00 3.00 -1.26 -4.14 118.16 108.86 3i8h n LYS 25 Ca 0.17 0.35 -0.02 0.00 -0.00 0.00 0.00 58.31 58.81 3i8h n LYS 25 Cb 0.59 -4.72 0.00 0.00 0.00 0.00 0.00 35.03 30.90 3i8h n LYS 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i8h n GLY 26 N 0.06 -0.05 0.69 3.14 0.00 -1.23 -4.90 105.19 102.90 3i8h n GLY 26 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3i8h n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i8h n GLU 27 N -0.44 0.03 -3.70 1.61 1.02 -1.12 -5.08 120.64 112.96 3i8h n GLU 27 Ca -0.02 -0.14 -0.11 0.00 -0.02 0.00 0.00 57.16 56.88 3i8h n GLU 27 Cb 0.04 0.22 -0.10 0.00 -0.02 0.00 0.00 31.44 31.58 3i8h n GLU 27 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3i8h s LYS 28 N -2.00 0.46 0.33 3.49 0.00 -1.26 -4.54 119.74 116.21 3i8h s LYS 28 Ca 0.05 0.76 0.04 0.00 0.00 0.00 0.00 55.97 56.82 3i8h s LYS 28 Cb -0.00 0.08 -0.06 0.00 0.00 0.00 0.00 37.83 37.85 3i8h s LYS 28 CO -0.00 -0.12 0.05 -0.98 0.00 0.00 0.00 175.35 174.30 3i8h s ARG 29 N 1.01 1.67 1.02 1.78 1.70 -1.26 -5.10 118.95 119.77 3i8h s ARG 29 Ca -0.06 -1.93 -0.17 0.00 -0.47 0.00 0.00 55.73 53.11 3i8h s ARG 29 Cb -0.06 -0.94 0.01 0.00 -0.57 0.00 0.00 34.95 33.39 3i8h s ARG 29 CO -0.09 -0.17 -0.09 1.47 -1.08 0.00 0.00 175.30 175.35 3i8h n LEU 30 N -0.70 -2.03 -3.27 -1.89 -0.00 -1.26 -4.80 117.00 103.05 3i8h n LEU 30 Ca -0.03 0.14 -0.06 0.00 -0.00 0.00 0.00 56.01 56.06 3i8h n LEU 30 Cb 0.67 -1.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.05 3i8h n LEU 30 CO 0.43 -3.74 -0.01 -0.51 -0.00 0.00 0.00 177.39 173.56 3i8h s ILE 31 N -2.25 -0.74 0.09 1.47 2.07 -1.25 -5.04 121.20 115.56 3i8h s ILE 31 Ca 0.52 -0.39 -0.30 0.00 -1.41 0.00 0.00 60.65 59.07 3i8h s ILE 31 Cb -0.15 -0.30 -0.06 0.00 0.13 0.00 0.00 42.46 42.09 3i8h s ILE 31 CO 0.69 -0.23 1.07 -0.54 -1.91 0.00 0.00 174.94 174.03 3i8h s LYS 32 N 1.72 4.56 0.26 3.50 1.02 -1.26 0.36 119.74 129.91 3i8h s LYS 32 Ca 0.16 1.61 -0.06 0.00 0.02 0.00 0.00 55.97 57.70 3i8h s LYS 32 Cb -0.09 -3.36 -0.01 0.00 -0.52 0.00 0.00 37.83 33.85 3i8h s LYS 32 CO -0.06 -0.02 0.37 -0.08 -0.92 0.00 0.00 175.35 174.64 3i8h s THR 33 N 0.46 0.00 0.00 2.17 -1.32 -0.87 -4.90 115.64 111.18 3i8h s THR 33 Ca 0.52 -1.65 0.00 0.00 -1.21 0.00 0.00 61.69 59.35 3i8h s THR 33 Cb -0.26 -2.41 0.00 0.00 -1.51 0.00 0.00 72.50 68.31 3i8h s THR 33 CO 0.31 0.00 0.51 0.79 -2.21 0.00 0.00 174.62 174.02 3i8h n TRP 34 N -0.41 0.00 -2.54 9.09 8.01 -1.26 -2.85 117.44 127.48 3i8h n TRP 34 Ca 0.00 -0.12 -0.42 0.00 -1.31 0.00 0.00 57.50 55.66 3i8h n TRP 34 Cb 0.63 -0.01 0.01 0.00 -2.01 0.00 0.00 31.31 29.92 3i8h n TRP 34 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 3i8h n SER 35 N -0.12 6.21 -0.11 -0.99 2.88 -1.26 -4.60 113.62 115.63 3i8h n SER 35 Ca 0.00 -3.28 0.15 0.00 -1.33 0.00 0.00 58.87 54.41 3i8h n SER 35 Cb 0.34 -1.36 0.81 0.00 -0.75 0.00 0.00 64.21 63.24 3i8h n SER 35 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3i8h n ARG 36 N 2.27 1.04 0.11 -1.46 1.85 -1.26 -3.10 116.66 116.09 3i8h n ARG 36 Ca 0.39 -0.22 0.05 0.00 -1.00 0.00 0.00 57.85 57.08 3i8h n ARG 36 Cb 0.32 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.24 3i8h n ARG 36 CO 0.00 0.00 0.00 0.07 -0.01 0.00 0.00 177.63 177.69 3i8h h ARG 37 N 0.53 0.00 -7.19 2.89 0.11 -1.97 -2.61 114.38 106.14 3i8h h ARG 37 Ca 0.00 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.59 3i8h h ARG 37 Cb 0.17 0.00 0.07 0.00 1.11 0.00 0.00 29.97 31.32 3i8h h ARG 37 CO 0.00 0.22 0.38 -1.54 0.10 0.00 0.00 179.97 179.13 3i8h s SER 38 N -5.89 5.69 0.00 0.08 1.04 -1.18 -4.92 113.70 108.52 3i8h s SER 38 Ca 0.01 1.86 0.00 0.00 0.48 0.00 0.00 55.95 58.30 3i8h s SER 38 Cb 0.08 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.66 3i8h s SER 38 CO 0.77 -1.23 0.00 0.41 0.98 0.00 0.00 173.24 174.17 3i8h n THR 39 N -2.03 0.00 -3.73 2.02 -1.04 -1.22 -3.20 114.28 105.07 3i8h n THR 39 Ca 0.09 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.96 3i8h n THR 39 Cb 0.53 -0.22 -0.08 0.00 -1.82 0.00 0.00 70.33 68.73 3i8h n THR 39 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3i8h s ILE 40 N 0.00 0.04 0.00 12.58 2.07 -1.24 -4.34 121.20 130.31 3i8h s ILE 40 Ca 0.00 -0.37 0.00 0.00 -1.41 0.00 0.00 60.65 58.87 3i8h s ILE 40 Cb 0.00 -0.65 0.00 0.00 0.13 0.00 0.00 42.46 41.94 3i8h s ILE 40 CO 0.00 -0.20 0.00 1.33 -1.91 0.00 0.00 174.94 174.16 3i8h n VAL 41 N 1.40 0.00 0.18 4.00 0.24 -1.26 -4.75 118.33 118.14 3i8h n VAL 41 Ca -0.20 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.15 3i8h n VAL 41 Cb 0.56 0.00 0.31 0.00 -1.47 0.00 0.00 33.84 33.24 3i8h n VAL 41 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3i8h h PRO 42 N 0.00 0.00 -2.42 7.34 0.11 -2.01 -3.46 132.00 131.56 3i8h h PRO 42 Ca 0.00 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.84 3i8h h PRO 42 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 3i8h h PRO 42 CO 0.00 0.38 0.73 -0.85 -0.21 0.00 0.00 178.00 178.05 3i8h n GLU 43 N -3.49 2.09 0.00 1.05 0.00 -1.26 -1.62 120.64 117.41 3i8h n GLU 43 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 57.16 56.02 3i8h n GLU 43 Cb 0.53 -2.13 0.00 0.00 0.00 0.00 0.00 31.44 29.84 3i8h n GLU 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3i8h n MET 44 N 2.90 4.01 0.00 3.44 2.81 -1.26 -4.74 117.12 124.28 3i8h n MET 44 Ca 0.45 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.34 3i8h n MET 44 Cb 0.63 -0.35 0.00 0.00 -0.71 0.00 0.00 33.22 32.79 3i8h n MET 44 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 3i8h n VAL 45 N -0.02 0.00 0.00 2.03 0.24 -0.64 0.24 118.33 120.18 3i8h n VAL 45 Ca 0.00 0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.60 3i8h n VAL 45 Cb 0.00 -1.00 0.00 0.00 -1.47 0.00 0.00 33.84 31.37 3i8h n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i8h n GLY 46 N -0.65 0.28 3.65 7.63 0.00 -1.26 -4.19 105.19 110.64 3i8h n GLY 46 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3i8h n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i8h s HIS 47 N -1.41 1.98 -0.33 1.61 4.02 0.66 -4.91 115.29 116.92 3i8h s HIS 47 Ca 0.00 1.06 -0.02 0.00 1.02 0.00 0.00 55.06 57.12 3i8h s HIS 47 Cb 0.00 -3.23 0.11 0.00 -1.02 0.00 0.00 32.58 28.45 3i8h s HIS 47 CO 0.00 -3.02 0.15 0.95 1.02 0.00 0.00 174.74 173.84 3i8h s THR 48 N -2.87 0.39 0.32 1.30 -4.23 -1.26 -3.20 115.64 106.08 3i8h s THR 48 Ca 0.66 -1.36 -0.17 0.00 -1.18 0.00 0.00 61.69 59.64 3i8h s THR 48 Cb -0.20 -1.30 -0.09 0.00 1.34 0.00 0.00 72.50 72.25 3i8h s THR 48 CO 0.59 -0.80 0.77 -0.63 -0.54 0.00 0.00 174.62 174.00 3i8h s ILE 49 N 1.53 4.61 -0.90 2.99 1.01 -1.20 -3.83 121.20 125.41 3i8h s ILE 49 Ca 0.12 1.11 -0.01 0.00 0.00 0.00 0.00 60.65 61.87 3i8h s ILE 49 Cb -0.19 -3.67 0.23 0.00 0.01 0.00 0.00 42.46 38.83 3i8h s ILE 49 CO -0.20 -0.11 0.81 0.00 0.00 0.00 0.00 174.94 175.44 3i8h n ALA 50 N -0.15 3.87 -1.76 9.38 0.00 0.16 -0.77 120.51 131.23 3i8h n ALA 50 Ca 0.03 -4.62 -0.38 0.00 0.00 0.00 0.00 53.44 48.47 3i8h n ALA 50 Cb 0.53 -1.69 0.01 0.00 0.00 0.00 0.00 19.45 18.30 3i8h n ALA 50 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i8h s VAL 51 N -1.50 2.50 0.12 0.00 1.01 -0.95 -2.05 120.40 119.53 3i8h s VAL 51 Ca 0.28 0.40 -0.10 0.00 0.00 0.00 0.00 61.98 62.56 3i8h s VAL 51 Cb -0.05 -3.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.05 3i8h s VAL 51 CO -0.11 0.01 0.45 -0.47 0.00 0.00 0.00 175.10 174.97 3i8h s TYR 52 N -1.37 3.56 -1.31 5.22 5.04 -1.13 0.44 117.35 127.80 3i8h s TYR 52 Ca 0.66 0.83 0.11 0.00 -2.44 0.00 0.00 57.07 56.23 3i8h s TYR 52 Cb -0.36 -2.20 0.09 0.00 0.35 0.00 0.00 41.96 39.84 3i8h s TYR 52 CO 0.44 0.46 0.86 0.27 -1.34 0.00 0.00 175.55 176.24 3i8h n ASN 53 N 0.69 1.93 0.00 4.32 0.23 0.11 -4.91 115.26 117.63 3i8h n ASN 53 Ca -0.06 -1.47 0.00 0.00 -0.53 0.00 0.00 54.58 52.52 3i8h n ASN 53 Cb 0.52 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 3i8h n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i8h n GLY 54 N 0.59 1.63 0.00 4.83 0.00 -1.26 -4.77 105.19 106.21 3i8h n GLY 54 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3i8h n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i8h n LYS 55 N -1.19 0.84 -3.85 1.61 4.81 -1.26 -5.13 118.16 113.99 3i8h n LYS 55 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 3i8h n LYS 55 Cb 0.00 -0.77 -0.03 0.00 0.02 0.00 0.00 35.03 34.25 3i8h n LYS 55 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 3i8h s GLN 56 N -1.53 1.65 -0.57 1.64 -2.07 -1.26 -5.12 119.66 112.40 3i8h s GLN 56 Ca 0.00 -1.01 -0.19 0.00 -1.82 0.00 0.00 55.36 52.34 3i8h s GLN 56 Cb 0.00 0.56 0.09 0.00 -1.09 0.00 0.00 33.01 32.57 3i8h s GLN 56 CO 0.00 -0.73 0.69 -1.01 -1.32 0.00 0.00 175.29 172.92 3i8h s HIS 57 N -3.93 3.00 -0.08 9.60 3.76 -1.26 -0.71 115.29 125.67 3i8h s HIS 57 Ca 0.13 -0.80 -0.26 0.00 -0.15 0.00 0.00 55.06 53.97 3i8h s HIS 57 Cb -0.04 -3.87 -0.03 0.00 1.11 0.00 0.00 32.58 29.76 3i8h s HIS 57 CO 0.05 -1.22 0.85 0.14 -0.85 0.00 0.00 174.74 173.71 3i8h s VAL 58 N 2.72 4.92 0.21 -0.90 -7.23 0.17 -4.80 120.40 115.49 3i8h s VAL 58 Ca 0.13 1.73 -0.30 0.00 -1.81 0.00 0.00 61.98 61.73 3i8h s VAL 58 Cb -0.22 -4.17 -0.09 0.00 0.56 0.00 0.00 36.38 32.46 3i8h s VAL 58 CO 0.08 0.14 1.26 -2.16 -0.31 0.00 0.00 175.10 174.11 3i8h s PRO 59 N 1.37 4.43 -0.09 4.82 0.04 -1.26 -2.24 135.00 142.07 3i8h s PRO 59 Ca 0.43 2.00 0.02 0.00 0.04 0.00 0.00 61.00 63.49 3i8h s PRO 59 Cb -0.18 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.17 3i8h s PRO 59 CO 0.19 -0.17 -0.15 0.14 0.04 0.00 0.00 177.00 177.05 3i8h s VAL 60 N -0.10 1.44 -1.08 -0.36 -7.23 0.05 -4.97 120.40 108.15 3i8h s VAL 60 Ca 0.54 -0.64 -0.22 0.00 -1.81 0.00 0.00 61.98 59.85 3i8h s VAL 60 Cb -0.35 -1.30 -0.01 0.00 0.56 0.00 0.00 36.38 35.27 3i8h s VAL 60 CO 0.39 0.43 1.79 -0.72 -0.31 0.00 0.00 175.10 176.67 3i8h s TYR 61 N 0.76 2.20 0.57 2.82 -0.85 -1.26 -3.27 117.35 118.31 3i8h s TYR 61 Ca -0.12 -0.18 -0.20 0.00 -0.52 0.00 0.00 57.07 56.05 3i8h s TYR 61 Cb -0.16 -4.32 -0.04 0.00 0.38 0.00 0.00 41.96 37.82 3i8h s TYR 61 CO 0.02 -1.66 1.29 0.42 -1.52 0.00 0.00 175.55 174.11 3i8h s ILE 62 N 8.04 2.28 -0.17 -3.49 1.09 -1.19 -5.03 121.20 122.73 3i8h s ILE 62 Ca 0.61 0.20 -0.34 0.00 -1.10 0.00 0.00 60.65 60.01 3i8h s ILE 62 Cb -0.02 -3.09 0.13 0.00 -1.06 0.00 0.00 42.46 38.43 3i8h s ILE 62 CO 0.02 -0.02 1.19 0.28 -0.10 0.00 0.00 174.94 176.32 3i8h s THR 63 N -1.40 0.00 0.13 2.92 -1.32 -1.26 -4.59 115.64 110.12 3i8h s THR 63 Ca 0.74 -0.02 -0.28 0.00 -1.21 0.00 0.00 61.69 60.93 3i8h s THR 63 Cb -0.37 -1.06 -0.05 0.00 -1.51 0.00 0.00 72.50 69.52 3i8h s THR 63 CO 0.42 0.00 1.59 1.05 -2.21 0.00 0.00 174.62 175.46 3i8h h GLU 64 N 2.00 -0.45 0.00 7.08 4.11 -1.96 -1.96 114.58 123.40 3i8h h GLU 64 Ca -0.11 0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.35 3i8h h GLU 64 Cb 1.17 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3i8h h GLU 64 CO 0.24 -0.30 0.27 0.27 0.07 0.00 0.00 179.01 179.56 3i8h n ASN 65 N -5.43 0.06 -2.12 3.06 2.04 -1.26 -0.32 115.26 111.29 3i8h n ASN 65 Ca -0.04 0.31 -0.23 0.00 -0.44 0.00 0.00 54.58 54.18 3i8h n ASN 65 Cb 0.36 -0.29 0.02 0.00 -2.53 0.00 0.00 39.78 37.33 3i8h n ASN 65 CO 0.00 0.00 0.00 1.15 -0.44 0.00 0.00 177.26 177.97 3i8h n MET 66 N -1.41 3.50 0.05 -3.83 0.00 -0.74 -4.79 117.12 109.89 3i8h n MET 66 Ca -0.00 -4.18 0.12 0.00 0.00 0.00 0.00 57.70 53.64 3i8h n MET 66 Cb 0.27 -2.24 0.11 0.00 0.00 0.00 0.00 33.22 31.36 3i8h n MET 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3i8h n VAL 67 N -0.67 0.27 -0.03 3.17 0.31 0.56 -4.24 118.33 117.70 3i8h n VAL 67 Ca 0.41 -0.26 -0.11 0.00 -0.01 0.00 0.00 64.34 64.38 3i8h n VAL 67 Cb 0.92 0.02 -0.14 0.00 -0.91 0.00 0.00 33.84 33.73 3i8h n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i8h n GLY 68 N 1.35 -0.91 3.64 2.92 0.00 -1.26 -4.33 105.19 106.60 3i8h n GLY 68 Ca 0.03 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 3i8h n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i8h s HIS 69 N -2.58 1.75 0.50 1.61 4.02 -1.26 -4.71 115.29 114.63 3i8h s HIS 69 Ca -0.09 0.91 -0.00 0.00 1.02 0.00 0.00 55.06 56.90 3i8h s HIS 69 Cb 0.08 -3.28 0.01 0.00 -1.02 0.00 0.00 32.58 28.37 3i8h s HIS 69 CO 0.81 -3.21 0.73 0.15 1.02 0.00 0.00 174.74 174.25 3i8h s LYS 70 N -4.98 2.85 0.42 1.40 -0.14 -1.26 -3.68 119.74 114.34 3i8h s LYS 70 Ca 0.67 -0.55 0.20 0.00 -1.36 0.00 0.00 55.97 54.93 3i8h s LYS 70 Cb -0.18 -2.50 0.90 0.00 -1.68 0.00 0.00 37.83 34.37 3i8h s LYS 70 CO 0.58 -0.48 1.85 -0.07 -0.76 0.00 0.00 175.35 176.46 3i8h h LEU 71 N 0.21 0.00 -0.43 3.17 3.38 -1.65 -2.81 115.31 117.18 3i8h h LEU 71 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3i8h h LEU 71 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3i8h h LEU 71 CO 0.56 0.30 0.00 1.23 0.09 0.00 0.00 178.44 180.62 3i8h h GLY 72 N 1.55 0.00 1.18 0.83 0.00 -1.77 -2.80 103.07 102.06 3i8h h GLY 72 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i8h h GLY 72 CO 0.04 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.76 3i8h n GLU 73 N -2.36 0.49 -0.37 4.80 1.02 -1.06 -1.99 120.64 121.18 3i8h n GLU 73 Ca 0.04 0.04 0.06 0.00 -0.02 0.00 0.00 57.16 57.27 3i8h n GLU 73 Cb 0.33 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.34 3i8h n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3i8h n PHE 74 N -1.09 0.00 -3.29 -0.32 3.72 -1.06 -4.84 117.46 110.59 3i8h n PHE 74 Ca 0.13 -0.65 -0.25 0.00 -0.05 0.00 0.00 57.45 56.62 3i8h n PHE 74 Cb 0.09 -0.12 -0.08 0.00 -0.94 0.00 0.00 39.48 38.43 3i8h n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i8h n ALA 75 N -0.77 2.70 -1.62 4.37 0.00 -0.84 -4.88 120.51 119.47 3i8h n ALA 75 Ca 0.10 -3.44 -0.43 0.00 0.00 0.00 0.00 53.44 49.67 3i8h n ALA 75 Cb 0.70 -0.81 -0.00 0.00 0.00 0.00 0.00 19.45 19.34 3i8h n ALA 75 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i8h n PRO 76 N 1.82 1.49 -0.16 0.00 -0.02 -1.26 -4.83 135.00 132.05 3i8h n PRO 76 Ca 0.24 0.53 0.07 0.00 -2.02 0.00 0.00 63.50 62.32 3i8h n PRO 76 Cb 0.50 -2.02 0.15 0.00 -0.02 0.00 0.00 33.50 32.11 3i8h n PRO 76 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3i8h n THR 77 N -0.08 0.75 0.00 3.45 -2.24 -1.26 -4.78 114.28 110.13 3i8h n THR 77 Ca 0.09 -0.88 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 3i8h n THR 77 Cb 0.36 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 3i8h n THR 77 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i8h n ARG 78 N 0.70 0.00 -3.37 -0.78 1.74 -1.26 -4.92 116.66 108.78 3i8h n ARG 78 Ca 0.12 0.01 -0.18 0.00 -0.77 0.00 0.00 57.85 57.03 3i8h n ARG 78 Cb 0.42 -0.96 0.07 0.00 -1.02 0.00 0.00 32.46 30.98 3i8h n ARG 78 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3i8h n THR 79 N -0.53 -3.90 -0.09 0.55 -1.04 -1.26 -4.92 114.28 103.09 3i8h n THR 79 Ca 0.00 -0.21 -0.18 0.00 -2.04 0.00 0.00 64.05 61.62 3i8h n THR 79 Cb 0.00 -4.18 -0.06 0.00 -1.82 0.00 0.00 70.33 64.27 3i8h n THR 79 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i8h n TYR 80 N -4.25 0.00 -3.30 -1.42 9.36 -1.26 -5.08 117.16 111.21 3i8h n TYR 80 Ca -0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.10 3i8h n TYR 80 Cb 0.60 -0.63 0.00 0.00 -0.63 0.00 0.00 39.34 38.68 3i8h n TYR 80 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 3i8h n ARG 81 N -3.96 0.00 0.00 2.98 0.63 -1.26 -4.66 116.66 110.38 3i8h n ARG 81 Ca -0.32 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.61 3i8h n ARG 81 Cb 0.68 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.59 3i8h n ARG 81 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i8h n GLY 82 N 0.00 0.00 0.00 5.14 0.00 -1.26 -5.05 105.19 104.02 3i8h n GLY 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i8h n GLY 82 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i8h n HIS 83 N 0.00 0.00 0.10 1.61 -0.00 -1.26 -4.87 115.22 110.80 3i8h n HIS 83 Ca 0.00 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.21 3i8h n HIS 83 Cb 0.00 0.00 0.17 0.00 -0.12 0.00 0.00 29.99 30.04 3i8h n HIS 83 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3i8h n GLY 84 N 0.00 -0.43 0.00 1.57 0.00 -1.26 0.64 105.19 105.71 3i8h n GLY 84 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3i8h n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i8h n LYS 85 N -1.69 0.00 -0.20 1.61 4.81 -1.26 -3.14 118.16 118.29 3i8h n LYS 85 Ca -0.00 0.53 -0.01 0.00 -0.87 0.00 0.00 58.31 57.96 3i8h n LYS 85 Cb 0.33 -1.50 0.10 0.00 0.02 0.00 0.00 35.03 33.98 3i8h n LYS 85 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3i8h h GLU 86 N 0.00 0.47 -7.31 1.64 4.39 1.91 -3.43 114.58 112.26 3i8h h GLU 86 Ca 0.00 -0.03 -0.51 0.00 0.34 0.00 0.00 59.36 59.16 3i8h h GLU 86 Cb 0.00 -0.11 0.12 0.00 -0.10 0.00 0.00 28.75 28.66 3i8h h GLU 86 CO 0.00 0.31 0.34 0.00 -1.16 0.00 0.00 179.01 178.50 3i8h s ALA 87 N -6.10 2.42 0.00 3.43 0.00 0.79 -4.88 121.76 117.42 3i8h s ALA 87 Ca -0.13 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.07 3i8h s ALA 87 Cb 0.16 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 20.04 3i8h s ALA 87 CO 0.75 -1.52 0.00 1.63 0.00 0.00 0.00 175.76 176.61 3i8h n LYS 88 N -3.25 0.00 0.00 0.00 4.76 -1.26 -4.56 118.16 113.84 3i8h n LYS 88 Ca 0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 3i8h n LYS 88 Cb 0.53 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.72 3i8h n LYS 88 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03