#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1q n SER 3 N 0.00 0.00 -0.00 2.89 7.64 -1.26 -4.98 113.62 117.91 3i1q n SER 3 Ca 0.00 -0.21 0.10 0.00 1.01 0.00 0.00 58.87 59.77 3i1q n SER 3 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 3i1q n SER 3 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3i1q n LEU 4 N 0.00 0.56 0.00 -3.43 4.32 -1.26 -5.00 117.00 112.19 3i1q n LEU 4 Ca 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 56.01 55.69 3i1q n LEU 4 Cb 0.05 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 3i1q n LEU 4 CO 0.00 0.14 0.00 0.29 -1.22 0.00 0.00 177.39 176.60 3i1q n LYS 5 N -1.76 0.00 -3.77 3.23 5.02 -1.26 -4.05 118.16 115.57 3i1q n LYS 5 Ca 0.01 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 3i1q n LYS 5 Cb 0.40 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.28 3i1q n LYS 5 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i1q s LYS 6 N 0.00 1.86 0.00 1.97 -0.14 -1.26 -4.98 119.74 117.19 3i1q s LYS 6 Ca 0.00 -2.75 0.00 0.00 -1.36 0.00 0.00 55.97 51.86 3i1q s LYS 6 Cb 0.00 -2.79 0.00 0.00 -1.68 0.00 0.00 37.83 33.36 3i1q s LYS 6 CO 0.00 -1.26 0.00 0.41 -0.76 0.00 0.00 175.35 173.74 3i1q n GLY 7 N 2.59 2.52 3.54 -3.33 0.00 -1.26 -5.10 105.19 104.15 3i1q n GLY 7 Ca 0.18 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 3i1q n GLY 7 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i1q n PRO 8 N 0.00 0.37 -4.61 1.61 -0.02 -1.26 -4.95 135.00 126.14 3i1q n PRO 8 Ca 0.00 0.17 -0.24 0.00 -2.02 0.00 0.00 63.50 61.41 3i1q n PRO 8 Cb 0.00 -2.02 -0.16 0.00 -0.02 0.00 0.00 33.50 31.30 3i1q n PRO 8 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i1q s PHE 9 N -1.89 1.39 0.24 6.00 2.19 -1.26 -5.06 117.98 119.59 3i1q s PHE 9 Ca 0.69 -0.44 -0.03 0.00 0.33 0.00 0.00 56.93 57.49 3i1q s PHE 9 Cb -0.34 -0.99 -0.03 0.00 -1.31 0.00 0.00 43.02 40.35 3i1q s PHE 9 CO 0.55 -0.19 0.26 0.96 1.83 0.00 0.00 175.22 178.63 3i1q s ILE 10 N 0.35 0.00 0.44 3.12 -4.36 -1.26 -1.54 121.20 117.95 3i1q s ILE 10 Ca -0.08 -1.83 -0.13 0.00 -0.26 0.00 0.00 60.65 58.35 3i1q s ILE 10 Cb -0.13 -2.45 -0.07 0.00 1.25 0.00 0.00 42.46 41.06 3i1q s ILE 10 CO 0.02 0.00 0.85 -1.81 0.24 0.00 0.00 174.94 174.24 3i1q s ASP 11 N -3.17 6.57 -0.05 4.36 -0.00 -1.26 -5.01 116.67 118.11 3i1q s ASP 11 Ca 0.35 1.30 -0.25 0.00 -0.00 0.00 0.00 52.55 53.95 3i1q s ASP 11 Cb 0.04 -2.40 -0.22 0.00 -0.00 0.00 0.00 42.92 40.34 3i1q s ASP 11 CO 0.14 -0.46 1.08 -0.07 -0.00 0.00 0.00 175.17 175.86 3i1q h LEU 12 N 1.16 0.16 -0.57 1.23 3.38 -2.02 -2.55 115.31 116.10 3i1q h LEU 12 Ca -0.47 -0.71 0.07 0.00 0.09 0.00 0.00 57.88 56.86 3i1q h LEU 12 Cb 1.19 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.83 3i1q h LEU 12 CO 0.63 0.85 0.25 1.12 0.09 0.00 0.00 178.44 181.38 3i1q h HIS 13 N -0.51 0.45 -0.39 1.13 2.07 -2.00 -0.27 115.15 115.62 3i1q h HIS 13 Ca -0.01 0.03 -0.06 0.00 -2.85 0.00 0.00 60.37 57.47 3i1q h HIS 13 Cb 0.86 -0.12 -0.02 0.00 2.57 0.00 0.00 27.41 30.71 3i1q h HIS 13 CO 0.17 0.17 0.00 1.25 -3.07 0.00 0.00 177.93 176.45 3i1q h LEU 14 N 0.47 0.59 -1.69 6.12 5.85 -1.99 -1.69 115.31 122.98 3i1q h LEU 14 Ca 0.27 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3i1q h LEU 14 Cb 0.26 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3i1q h LEU 14 CO -0.23 0.66 0.05 0.25 -0.34 0.00 0.00 178.44 178.83 3i1q h LEU 15 N 0.60 0.22 0.75 2.25 5.85 -0.66 -2.30 115.31 122.01 3i1q h LEU 15 Ca 0.12 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3i1q h LEU 15 Cb 0.37 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.35 3i1q h LEU 15 CO 0.01 0.23 -0.36 0.11 -0.34 0.00 0.00 178.44 178.09 3i1q h LYS 16 N 0.25 -0.97 -0.84 1.25 1.57 -0.22 -2.52 116.57 115.10 3i1q h LYS 16 Ca 0.06 0.07 0.19 0.00 -1.87 0.00 0.00 60.65 59.10 3i1q h LYS 16 Cb 0.09 0.22 -0.15 0.00 0.08 0.00 0.00 32.23 32.47 3i1q h LYS 16 CO -0.00 -0.64 -0.08 0.87 -0.57 0.00 0.00 179.45 179.02 3i1q h LYS 17 N -1.17 0.04 -0.78 3.15 1.57 -1.28 0.37 116.57 118.47 3i1q h LYS 17 Ca -0.10 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3i1q h LYS 17 Cb 0.77 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.02 3i1q h LYS 17 CO 0.17 0.03 0.50 0.28 -0.57 0.00 0.00 179.45 179.85 3i1q h VAL 18 N 0.04 1.12 0.00 0.50 2.07 -1.44 -1.68 116.25 116.86 3i1q h VAL 18 Ca 0.44 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.55 3i1q h VAL 18 Cb 0.78 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3i1q h VAL 18 CO -0.80 0.18 -0.39 -0.33 0.02 0.00 0.00 177.57 176.25 3i1q h GLU 19 N 0.97 0.00 -0.56 1.57 4.39 -0.10 -3.15 114.58 117.70 3i1q h GLU 19 Ca 0.31 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.94 3i1q h GLU 19 Cb 0.01 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 3i1q h GLU 19 CO -0.11 0.39 0.07 -0.22 -1.16 0.00 0.00 179.01 177.98 3i1q h LYS 20 N 0.00 0.94 -0.98 2.33 3.64 0.48 -2.70 116.57 120.28 3i1q h LYS 20 Ca -0.00 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3i1q h LYS 20 Cb 0.95 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3i1q h LYS 20 CO 0.05 0.91 0.00 0.00 -2.27 0.00 0.00 179.45 178.15 3i1q n ALA 21 N -2.43 2.58 -0.09 5.00 0.00 -0.97 -2.53 120.51 122.06 3i1q n ALA 21 Ca 0.02 -0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 3i1q n ALA 21 Cb 0.28 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 3i1q n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1q n VAL 22 N 0.05 1.47 0.45 0.00 0.31 -1.02 -3.58 118.33 116.00 3i1q n VAL 22 Ca 0.02 0.11 0.12 0.00 -0.01 0.00 0.00 64.34 64.58 3i1q n VAL 22 Cb 0.31 -2.29 0.23 0.00 -0.91 0.00 0.00 33.84 31.18 3i1q n VAL 22 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i1q n GLU 23 N -4.51 2.42 -0.00 5.55 4.07 -1.24 -4.00 120.64 122.93 3i1q n GLU 23 Ca -0.16 -2.14 0.03 0.00 -0.06 0.00 0.00 57.16 54.82 3i1q n GLU 23 Cb 0.45 -1.50 -0.05 0.00 -0.06 0.00 0.00 31.44 30.28 3i1q n GLU 23 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 3i1q n SER 24 N 1.37 2.74 0.00 4.31 7.64 -1.05 -5.13 113.62 123.50 3i1q n SER 24 Ca 0.19 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.91 3i1q n SER 24 Cb 0.58 1.23 0.00 0.00 -1.01 0.00 0.00 64.21 65.00 3i1q n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1q n GLY 25 N 1.90 -1.71 0.00 0.23 0.00 -1.24 -4.98 105.19 99.39 3i1q n GLY 25 Ca -0.01 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3i1q n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i1q n ASP 26 N -1.35 -0.89 0.00 1.61 5.75 -1.24 -4.52 116.55 115.90 3i1q n ASP 26 Ca 0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 54.79 54.55 3i1q n ASP 26 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3i1q n ASP 26 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 3i1q n LYS 27 N -1.11 0.00 -2.22 0.11 2.85 -1.26 -5.06 118.16 111.47 3i1q n LYS 27 Ca 0.00 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.96 3i1q n LYS 27 Cb 0.00 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3i1q n LYS 27 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3i1q s LYS 28 N 0.00 3.67 0.39 -1.58 1.02 -1.26 -4.86 119.74 117.12 3i1q s LYS 28 Ca 0.00 0.65 -0.25 0.00 0.02 0.00 0.00 55.97 56.40 3i1q s LYS 28 Cb 0.00 -2.18 -0.12 0.00 -0.52 0.00 0.00 37.83 35.01 3i1q s LYS 28 CO 0.00 -0.39 0.88 -0.35 -0.92 0.00 0.00 175.35 174.57 3i1q n PRO 29 N -2.28 1.10 -3.42 -1.68 -0.04 -1.25 -4.82 135.00 122.61 3i1q n PRO 29 Ca 0.05 0.39 -0.37 0.00 -0.04 0.00 0.00 63.50 63.53 3i1q n PRO 29 Cb 0.54 -1.83 -0.06 0.00 -0.04 0.00 0.00 33.50 32.11 3i1q n PRO 29 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i1q s LEU 30 N 0.35 4.43 -0.36 1.53 1.02 -1.12 -4.82 118.68 119.72 3i1q s LEU 30 Ca 0.62 1.04 -0.10 0.00 0.02 0.00 0.00 54.13 55.71 3i1q s LEU 30 Cb -0.61 -2.90 0.02 0.00 0.02 0.00 0.00 46.19 42.72 3i1q s LEU 30 CO 0.58 0.23 0.19 -0.13 0.02 0.00 0.00 176.35 177.24 3i1q s ARG 31 N -1.45 2.89 0.25 1.70 0.52 -1.26 -0.52 118.95 121.07 3i1q s ARG 31 Ca 0.30 -1.03 0.01 0.00 -0.52 0.00 0.00 55.73 54.49 3i1q s ARG 31 Cb -0.16 -3.68 -0.05 0.00 0.52 0.00 0.00 34.95 31.57 3i1q s ARG 31 CO 0.17 -0.65 0.10 0.95 0.02 0.00 0.00 175.30 175.89 3i1q s THR 32 N 1.55 0.46 -0.22 0.02 -4.23 -1.19 -5.06 115.64 106.97 3i1q s THR 32 Ca 0.02 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.57 3i1q s THR 32 Cb -0.19 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.03 3i1q s THR 32 CO 0.06 -0.01 0.23 0.79 -0.54 0.00 0.00 174.62 175.16 3i1q n TRP 33 N -0.42 0.00 -2.48 3.99 8.01 -1.26 -2.94 117.44 122.33 3i1q n TRP 33 Ca 0.00 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.80 3i1q n TRP 33 Cb 0.66 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.94 3i1q n TRP 33 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 3i1q s SER 34 N -1.11 6.43 0.00 -0.99 0.15 -1.26 -4.68 113.70 112.23 3i1q s SER 34 Ca 0.02 -1.93 0.25 0.00 0.70 0.00 0.00 55.95 54.99 3i1q s SER 34 Cb 0.03 -2.58 1.45 0.00 -1.71 0.00 0.00 66.02 63.21 3i1q s SER 34 CO 0.12 -1.59 1.83 0.54 1.20 0.00 0.00 173.24 175.34 3i1q n ARG 35 N 8.58 0.74 0.15 5.44 1.74 -1.26 -2.90 116.66 129.14 3i1q n ARG 35 Ca 0.43 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.60 3i1q n ARG 35 Cb 0.48 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.49 3i1q n ARG 35 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i1q h ARG 36 N 0.00 0.00 -6.38 5.56 3.08 -1.95 0.14 114.38 114.83 3i1q h ARG 36 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3i1q h ARG 36 Cb 0.01 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.08 3i1q h ARG 36 CO 0.00 0.11 1.14 -1.12 -1.07 0.00 0.00 179.97 179.03 3i1q s SER 37 N -5.94 6.51 0.17 7.04 0.01 -1.14 -4.70 113.70 115.64 3i1q s SER 37 Ca 0.03 2.57 -0.30 0.00 1.31 0.00 0.00 55.95 59.56 3i1q s SER 37 Cb 0.07 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.68 3i1q s SER 37 CO 0.73 -0.99 1.30 -0.89 0.41 0.00 0.00 173.24 173.80 3i1q s THR 38 N 3.75 3.36 -0.18 1.44 2.01 -0.59 -2.59 115.64 122.84 3i1q s THR 38 Ca 0.82 1.08 -0.29 0.00 0.31 0.00 0.00 61.69 63.60 3i1q s THR 38 Cb -0.41 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.40 3i1q s THR 38 CO 0.37 0.14 1.20 -0.63 -0.69 0.00 0.00 174.62 175.01 3i1q s ILE 39 N 0.34 4.39 0.34 1.82 1.01 -0.74 -4.81 121.20 123.56 3i1q s ILE 39 Ca 0.58 1.68 -0.14 0.00 0.00 0.00 0.00 60.65 62.76 3i1q s ILE 39 Cb -0.35 -4.08 -0.09 0.00 0.01 0.00 0.00 42.46 37.95 3i1q s ILE 39 CO 0.36 -0.14 0.75 -0.36 0.00 0.00 0.00 174.94 175.55 3i1q s PHE 40 N 3.36 3.39 -0.88 3.97 0.40 -1.26 -4.25 117.98 122.70 3i1q s PHE 40 Ca 0.52 1.21 0.02 0.00 -0.60 0.00 0.00 56.93 58.08 3i1q s PHE 40 Cb -0.20 -2.53 0.13 0.00 0.51 0.00 0.00 43.02 40.93 3i1q s PHE 40 CO 0.13 0.05 1.06 -2.30 0.70 0.00 0.00 175.22 174.85 3i1q n PRO 41 N -0.55 0.02 0.00 0.24 -0.02 -1.26 -1.24 135.00 132.19 3i1q n PRO 41 Ca 0.04 0.50 0.13 0.00 -2.02 0.00 0.00 63.50 62.14 3i1q n PRO 41 Cb 0.53 -1.57 0.34 0.00 -0.02 0.00 0.00 33.50 32.79 3i1q n PRO 41 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3i1q n ASN 42 N -1.57 0.48 0.02 2.55 2.04 -1.26 -3.83 115.26 113.69 3i1q n ASN 42 Ca -0.00 -0.23 -0.04 0.00 -0.44 0.00 0.00 54.58 53.87 3i1q n ASN 42 Cb 0.02 0.10 -0.10 0.00 -2.53 0.00 0.00 39.78 37.27 3i1q n ASN 42 CO 0.00 0.00 0.00 0.24 -0.44 0.00 0.00 177.26 177.06 3i1q h MET 43 N 0.17 0.00 -6.09 -3.83 2.86 -1.55 -3.48 114.93 103.02 3i1q h MET 43 Ca 0.00 0.00 -0.73 0.00 -2.06 0.00 0.00 59.70 56.91 3i1q h MET 43 Cb 0.49 0.00 0.07 0.00 0.06 0.00 0.00 31.60 32.22 3i1q h MET 43 CO 0.00 0.47 0.02 -0.89 1.06 0.00 0.00 176.91 177.57 3i1q n ILE 44 N -3.03 0.57 -1.84 -1.22 5.41 -1.25 -1.82 119.36 116.18 3i1q n ILE 44 Ca -0.11 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.50 3i1q n ILE 44 Cb 0.93 -0.24 0.00 0.00 -0.71 0.00 0.00 39.64 39.63 3i1q n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i1q n GLY 45 N 1.80 0.56 2.19 7.39 0.00 -0.39 -5.01 105.19 111.73 3i1q n GLY 45 Ca 0.19 -0.79 -0.17 0.00 0.00 0.00 0.00 46.02 45.24 3i1q n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1q n LEU 46 N -0.04 0.00 -1.13 0.99 4.77 -0.75 -4.99 117.00 115.84 3i1q n LEU 46 Ca 0.00 -1.77 -0.01 0.00 -0.03 0.00 0.00 56.01 54.21 3i1q n LEU 46 Cb 0.45 0.08 0.14 0.00 -2.33 0.00 0.00 43.42 41.76 3i1q n LEU 46 CO 0.00 -0.37 0.26 0.35 -1.33 0.00 0.00 177.39 176.30 3i1q n THR 47 N -1.03 1.89 -1.68 -5.08 -2.24 -1.26 -3.75 114.28 101.12 3i1q n THR 47 Ca -0.06 -3.08 -0.50 0.00 -2.27 0.00 0.00 64.05 58.13 3i1q n THR 47 Cb 0.37 -0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.40 3i1q n THR 47 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3i1q n ILE 48 N -0.76 0.44 -3.83 2.28 -6.64 -1.17 -2.77 119.36 106.89 3i1q n ILE 48 Ca 0.21 -0.08 -0.36 0.00 -1.77 0.00 0.00 62.75 60.75 3i1q n ILE 48 Cb 0.82 -1.64 -0.13 0.00 -1.44 0.00 0.00 39.64 37.25 3i1q n ILE 48 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3i1q s ALA 49 N 3.49 2.94 0.13 -1.28 0.00 0.32 -1.95 121.76 125.41 3i1q s ALA 49 Ca 0.92 -1.41 -0.08 0.00 0.00 0.00 0.00 51.96 51.40 3i1q s ALA 49 Cb -0.79 -1.97 -0.06 0.00 0.00 0.00 0.00 23.12 20.30 3i1q s ALA 49 CO 0.53 -0.81 0.42 0.08 0.00 0.00 0.00 175.76 175.98 3i1q s VAL 50 N 1.45 5.09 -0.05 0.00 1.01 -1.12 -3.18 120.40 123.60 3i1q s VAL 50 Ca 0.02 0.30 -0.26 0.00 0.00 0.00 0.00 61.98 62.05 3i1q s VAL 50 Cb -0.17 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 3i1q s VAL 50 CO -0.00 0.13 0.80 -2.28 0.00 0.00 0.00 175.10 173.76 3i1q s HIS 51 N -1.57 3.60 -0.24 5.22 2.46 -1.15 -0.58 115.29 123.04 3i1q s HIS 51 Ca 0.38 1.41 0.14 0.00 0.47 0.00 0.00 55.06 57.46 3i1q s HIS 51 Cb -0.13 -2.93 0.62 0.00 -0.13 0.00 0.00 32.58 30.02 3i1q s HIS 51 CO 0.21 0.03 1.56 0.27 -2.47 0.00 0.00 174.74 174.35 3i1q n ASN 52 N 3.91 4.19 0.00 9.88 6.94 -0.65 -4.91 115.26 134.62 3i1q n ASN 52 Ca 0.02 -3.15 0.00 0.00 -0.02 0.00 0.00 54.58 51.42 3i1q n ASN 52 Cb 0.51 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 37.31 3i1q n ASN 52 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i1q n GLY 53 N -0.35 3.10 0.41 4.83 0.00 -1.26 -4.45 105.19 107.47 3i1q n GLY 53 Ca 0.28 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 3i1q n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i1q n ARG 54 N 0.00 0.39 -3.86 1.61 1.85 -1.26 -5.09 116.66 110.30 3i1q n ARG 54 Ca 0.00 0.17 -0.09 0.00 -1.00 0.00 0.00 57.85 56.93 3i1q n ARG 54 Cb 0.00 -1.16 -0.07 0.00 -1.05 0.00 0.00 32.46 30.18 3i1q n ARG 54 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 3i1q s GLN 55 N -2.42 0.86 -0.58 2.89 -0.44 -1.26 -5.12 119.66 113.59 3i1q s GLN 55 Ca -0.25 -0.97 -0.22 0.00 -2.50 0.00 0.00 55.36 51.43 3i1q s GLN 55 Cb 0.08 0.34 0.06 0.00 -1.64 0.00 0.00 33.01 31.86 3i1q s GLN 55 CO 0.32 -0.27 0.83 -1.01 0.50 0.00 0.00 175.29 175.66 3i1q s HIS 56 N -3.87 2.85 -0.19 1.67 3.76 -1.26 -1.64 115.29 116.62 3i1q s HIS 56 Ca 0.06 -0.44 -0.29 0.00 -0.15 0.00 0.00 55.06 54.24 3i1q s HIS 56 Cb 0.05 -3.99 0.00 0.00 1.11 0.00 0.00 32.58 29.76 3i1q s HIS 56 CO -0.11 -1.35 1.04 0.14 -0.85 0.00 0.00 174.74 173.62 3i1q s VAL 57 N 3.47 4.69 0.10 -0.90 -7.23 0.26 -4.67 120.40 116.11 3i1q s VAL 57 Ca 0.21 2.02 -0.33 0.00 -1.81 0.00 0.00 61.98 62.07 3i1q s VAL 57 Cb -0.17 -4.30 -0.12 0.00 0.56 0.00 0.00 36.38 32.35 3i1q s VAL 57 CO 0.13 -0.13 1.75 -0.81 -0.31 0.00 0.00 175.10 175.73 3i1q n PRO 58 N 5.98 2.43 -4.18 4.82 -0.04 -1.26 -2.79 135.00 139.95 3i1q n PRO 58 Ca 0.11 0.88 -0.18 0.00 -0.04 0.00 0.00 63.50 64.27 3i1q n PRO 58 Cb 0.47 -2.72 -0.12 0.00 -0.04 0.00 0.00 33.50 31.09 3i1q n PRO 58 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3i1q s VAL 59 N 2.26 1.16 -0.31 0.52 1.01 -0.82 -4.98 120.40 119.24 3i1q s VAL 59 Ca 0.83 -1.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 3i1q s VAL 59 Cb -0.60 -1.16 0.05 0.00 0.00 0.00 0.00 36.38 34.67 3i1q s VAL 59 CO 0.40 -0.25 0.02 0.12 0.00 0.00 0.00 175.10 175.39 3i1q s PHE 60 N -1.42 3.25 -0.50 5.22 5.36 -1.26 -3.06 117.98 125.57 3i1q s PHE 60 Ca -0.00 -1.74 -0.26 0.00 -0.96 0.00 0.00 56.93 53.97 3i1q s PHE 60 Cb -0.09 -2.15 -0.07 0.00 -0.34 0.00 0.00 43.02 40.37 3i1q s PHE 60 CO 0.02 -0.78 2.40 0.14 -1.46 0.00 0.00 175.22 175.54 3i1q s VAL 61 N 1.30 3.01 0.55 3.12 -7.23 -1.25 -4.94 120.40 114.97 3i1q s VAL 61 Ca -0.04 0.01 -0.10 0.00 -1.81 0.00 0.00 61.98 60.04 3i1q s VAL 61 Cb -0.20 -3.03 -0.04 0.00 0.56 0.00 0.00 36.38 33.67 3i1q s VAL 61 CO -0.00 -0.03 0.93 -0.89 -0.31 0.00 0.00 175.10 174.80 3i1q s THR 62 N 12.24 4.76 0.18 5.32 2.01 -1.26 -1.26 115.64 137.62 3i1q s THR 62 Ca 0.97 0.69 -0.03 0.00 0.31 0.00 0.00 61.69 63.62 3i1q s THR 62 Cb -0.17 -3.84 0.27 0.00 0.01 0.00 0.00 72.50 68.77 3i1q s THR 62 CO 0.25 -0.97 0.95 -0.67 -0.69 0.00 0.00 174.62 173.49 3i1q n ASP 63 N -2.38 -0.18 -1.13 3.53 4.64 -1.26 -0.46 116.55 119.30 3i1q n ASP 63 Ca 0.04 1.04 0.04 0.00 -1.38 0.00 0.00 54.79 54.53 3i1q n ASP 63 Cb 0.54 -0.33 0.26 0.00 -1.04 0.00 0.00 41.12 40.55 3i1q n ASP 63 CO 0.00 0.00 0.00 -1.84 -0.82 0.00 0.00 177.20 174.54 3i1q n GLU 64 N -4.93 2.85 -2.05 -0.67 -0.00 -1.26 -4.66 120.64 109.91 3i1q n GLU 64 Ca 0.11 -2.96 -0.42 0.00 -0.00 0.00 0.00 57.16 53.89 3i1q n GLU 64 Cb 0.35 -1.91 0.00 0.00 -0.00 0.00 0.00 31.44 29.88 3i1q n GLU 64 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3i1q n MET 65 N -0.57 3.23 0.01 3.44 2.81 0.39 -4.57 117.12 121.85 3i1q n MET 65 Ca 0.27 -3.07 -0.00 0.00 -1.81 0.00 0.00 57.70 53.09 3i1q n MET 65 Cb 1.01 -3.12 -0.00 0.00 -0.71 0.00 0.00 33.22 30.39 3i1q n MET 65 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3i1q n VAL 66 N 4.31 0.41 -0.14 2.03 0.31 -1.26 -4.67 118.33 119.32 3i1q n VAL 66 Ca 0.46 0.15 0.13 0.00 -0.01 0.00 0.00 64.34 65.08 3i1q n VAL 66 Cb 0.38 -1.24 0.49 0.00 -0.91 0.00 0.00 33.84 32.56 3i1q n VAL 66 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3i1q h GLY 67 N -0.03 0.69 -1.40 2.92 0.00 -1.81 -1.96 103.07 101.48 3i1q h GLY 67 Ca 0.00 -0.19 -0.51 0.00 0.00 0.00 0.00 47.33 46.63 3i1q h GLY 67 CO 0.00 0.09 0.36 0.30 0.00 0.00 0.00 176.54 177.29 3i1q s HIS 68 N -5.43 2.93 0.80 5.60 4.02 -1.26 -4.60 115.29 117.35 3i1q s HIS 68 Ca -0.08 1.48 -0.10 0.00 1.02 0.00 0.00 55.06 57.37 3i1q s HIS 68 Cb 0.20 -2.96 0.10 0.00 -1.02 0.00 0.00 32.58 28.91 3i1q s HIS 68 CO 0.76 -1.39 1.14 0.15 1.02 0.00 0.00 174.74 176.42 3i1q s LYS 69 N -4.83 1.75 0.17 1.40 -0.14 -1.26 -2.35 119.74 114.48 3i1q s LYS 69 Ca 0.60 -0.20 0.16 0.00 -1.36 0.00 0.00 55.97 55.17 3i1q s LYS 69 Cb -0.15 -2.03 -0.04 0.00 -1.68 0.00 0.00 37.83 33.93 3i1q s LYS 69 CO 0.52 -1.64 1.14 -0.07 -0.76 0.00 0.00 175.35 174.55 3i1q h LEU 70 N -0.99 0.00 -0.86 3.17 3.38 -1.22 -3.30 115.31 115.49 3i1q h LEU 70 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3i1q h LEU 70 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3i1q h LEU 70 CO 0.57 0.53 0.00 1.23 0.09 0.00 0.00 178.44 180.86 3i1q h GLY 71 N 3.60 0.00 2.00 0.83 0.00 -1.05 -2.89 103.07 105.56 3i1q h GLY 71 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3i1q h GLY 71 CO 0.06 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.43 3i1q h GLU 72 N 0.00 0.00 -0.19 4.80 5.08 -1.82 -2.70 114.58 119.75 3i1q h GLU 72 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i1q h GLU 72 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3i1q h GLU 72 CO 0.00 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.20 3i1q n PHE 73 N -2.55 0.53 -3.15 4.33 3.01 -1.09 -4.70 117.46 113.84 3i1q n PHE 73 Ca 0.01 -0.79 -0.24 0.00 1.01 0.00 0.00 57.45 57.44 3i1q n PHE 73 Cb 0.23 -0.19 -0.05 0.00 -0.01 0.00 0.00 39.48 39.45 3i1q n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i1q n ALA 74 N -0.53 3.34 -1.63 4.37 0.00 -1.02 -4.93 120.51 120.13 3i1q n ALA 74 Ca 0.16 -4.08 -0.56 0.00 0.00 0.00 0.00 53.44 48.96 3i1q n ALA 74 Cb 0.68 -0.84 -0.07 0.00 0.00 0.00 0.00 19.45 19.22 3i1q n ALA 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i1q n PRO 75 N 0.42 0.92 -0.07 0.00 -0.04 -1.26 -4.46 135.00 130.51 3i1q n PRO 75 Ca 0.27 0.33 -0.21 0.00 -0.04 0.00 0.00 63.50 63.86 3i1q n PRO 75 Cb 0.50 -1.96 -0.12 0.00 -0.04 0.00 0.00 33.50 31.88 3i1q n PRO 75 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3i1q h THR 76 N 3.97 1.01 -3.56 0.52 1.35 -1.91 -3.46 112.91 110.83 3i1q h THR 76 Ca -0.48 -2.26 -0.52 0.00 -0.55 0.00 0.00 66.41 62.61 3i1q h THR 76 Cb 1.35 2.48 -0.03 0.00 -1.73 0.00 0.00 68.15 70.22 3i1q h THR 76 CO 0.83 0.48 0.12 -0.13 -0.25 0.00 0.00 175.52 176.57 3i1q s ARG 77 N -2.39 4.29 -0.31 4.72 0.52 -1.26 -4.92 118.95 119.59 3i1q s ARG 77 Ca -0.25 0.90 0.03 0.00 -0.52 0.00 0.00 55.73 55.89 3i1q s ARG 77 Cb 0.05 -2.92 0.08 0.00 0.52 0.00 0.00 34.95 32.68 3i1q s ARG 77 CO 0.65 0.41 0.00 0.95 0.02 0.00 0.00 175.30 177.34 3i1q s THR 78 N -1.48 2.38 0.26 0.02 -4.23 -1.26 -5.11 115.64 106.22 3i1q s THR 78 Ca 0.42 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.97 3i1q s THR 78 Cb -0.17 -2.59 -0.03 0.00 1.34 0.00 0.00 72.50 71.04 3i1q s THR 78 CO 0.21 -0.37 0.40 -0.72 -0.54 0.00 0.00 174.62 173.61 3i1q s TYR 79 N 1.02 3.46 0.00 3.99 -0.85 -1.26 -5.31 117.35 118.40 3i1q s TYR 79 Ca 0.02 0.08 0.00 0.00 -0.52 0.00 0.00 57.07 56.65 3i1q s TYR 79 Cb -0.20 -1.66 0.00 0.00 0.38 0.00 0.00 41.96 40.49 3i1q s TYR 79 CO -0.06 0.37 0.00 -2.13 -1.52 0.00 0.00 175.55 172.21