#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i7u s LYS 2 N 0.00 4.37 -0.09 2.12 2.47 -1.26 -5.01 119.74 122.33 3i7u s LYS 2 Ca 0.00 1.85 0.01 0.00 -1.56 0.00 0.00 55.97 56.27 3i7u s LYS 2 Cb 0.00 -3.42 0.02 0.00 -1.46 0.00 0.00 37.83 32.97 3i7u s LYS 2 CO 0.00 -0.39 -0.10 0.15 0.16 0.00 0.00 175.35 175.17 3i7u s LYS 3 N 1.57 1.65 -0.33 4.03 1.02 -1.26 -2.35 119.74 124.06 3i7u s LYS 3 Ca 0.60 -0.35 -0.03 0.00 0.02 0.00 0.00 55.97 56.21 3i7u s LYS 3 Cb -0.30 -1.53 0.06 0.00 -0.52 0.00 0.00 37.83 35.53 3i7u s LYS 3 CO 0.27 -0.13 0.07 -1.21 -0.92 0.00 0.00 175.35 173.44 3i7u s GLU 4 N 1.21 2.39 -0.25 1.68 2.02 0.65 -5.00 118.70 121.41 3i7u s GLU 4 Ca -0.04 -1.36 -0.08 0.00 0.02 0.00 0.00 54.97 53.51 3i7u s GLU 4 Cb -0.14 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.71 3i7u s GLU 4 CO -0.03 -0.73 0.08 -0.06 0.02 0.00 0.00 175.26 174.53 3i7u s PHE 5 N 1.27 3.10 0.41 1.61 0.40 -1.26 -1.33 117.98 122.17 3i7u s PHE 5 Ca -0.01 -0.37 0.06 0.00 -0.60 0.00 0.00 56.93 56.01 3i7u s PHE 5 Cb -0.20 -2.24 -0.07 0.00 0.51 0.00 0.00 43.02 41.01 3i7u s PHE 5 CO -0.01 -0.33 0.02 -1.12 0.70 0.00 0.00 175.22 174.48 3i7u s SER 6 N 1.57 3.71 -0.04 1.36 0.01 0.24 -1.17 113.70 119.39 3i7u s SER 6 Ca 0.06 -1.39 -0.05 0.00 1.31 0.00 0.00 55.95 55.88 3i7u s SER 6 Cb -0.15 -0.29 0.01 0.00 0.21 0.00 0.00 66.02 65.80 3i7u s SER 6 CO 0.04 -0.50 0.13 0.00 0.41 0.00 0.00 173.24 173.31 3i7u s ALA 7 N -2.80 -0.31 0.30 1.44 0.00 -0.38 -1.25 121.76 118.77 3i7u s ALA 7 Ca 0.33 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.55 3i7u s ALA 7 Cb 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 3i7u s ALA 7 CO 0.17 -0.10 0.26 0.20 0.00 0.00 0.00 175.76 176.29 3i7u s GLY 8 N -0.30 2.02 0.04 0.00 0.00 0.26 -1.67 107.32 107.67 3i7u s GLY 8 Ca -0.04 -1.92 0.04 0.00 0.00 0.00 0.00 44.72 42.81 3i7u s GLY 8 CO 0.00 -1.40 -0.13 -0.32 0.00 0.00 0.00 173.10 171.26 3i7u s GLY 9 N -3.30 0.73 -0.47 0.20 0.00 -0.68 -1.79 107.32 102.00 3i7u s GLY 9 Ca 0.39 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 44.31 3i7u s GLY 9 CO 0.23 -0.79 0.23 0.14 0.00 0.00 0.00 173.10 172.91 3i7u s VAL 10 N -0.92 2.93 -0.11 1.40 1.01 -0.60 -4.09 120.40 120.02 3i7u s VAL 10 Ca -0.00 -2.69 -0.11 0.00 0.00 0.00 0.00 61.98 59.18 3i7u s VAL 10 Cb -0.08 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 3i7u s VAL 10 CO 0.01 -0.74 0.23 -0.22 0.00 0.00 0.00 175.10 174.39 3i7u s LEU 11 N 0.40 4.35 0.06 3.92 0.20 -1.26 -1.54 118.68 124.81 3i7u s LEU 11 Ca 0.13 0.55 0.08 0.00 0.69 0.00 0.00 54.13 55.59 3i7u s LEU 11 Cb -0.22 -2.26 -0.03 0.00 -0.43 0.00 0.00 46.19 43.25 3i7u s LEU 11 CO -0.04 0.28 -0.19 -0.36 -0.29 0.00 0.00 176.35 175.75 3i7u s PHE 12 N -0.48 2.52 -0.24 5.38 0.08 -0.45 -0.80 117.98 124.00 3i7u s PHE 12 Ca 0.16 -0.28 -0.03 0.00 0.12 0.00 0.00 56.93 56.91 3i7u s PHE 12 Cb -0.13 -1.42 0.11 0.00 -0.57 0.00 0.00 43.02 41.01 3i7u s PHE 12 CO 0.05 0.28 0.22 0.21 -0.10 0.00 0.00 175.22 175.88 3i7u s LYS 13 N -1.62 0.23 -1.17 0.44 2.20 0.16 -0.92 119.74 119.05 3i7u s LYS 13 Ca 0.15 -0.05 -0.22 0.00 -0.36 0.00 0.00 55.97 55.50 3i7u s LYS 13 Cb -0.10 -1.05 0.00 0.00 -1.51 0.00 0.00 37.83 35.16 3i7u s LYS 13 CO 0.06 -0.84 0.75 -0.25 -0.36 0.00 0.00 175.35 174.71 3i7u n ASP 14 N 5.30 -4.76 0.00 1.43 8.00 -1.26 -1.89 116.55 123.37 3i7u n ASP 14 Ca -0.05 -1.06 0.00 0.00 0.71 0.00 0.00 54.79 54.39 3i7u n ASP 14 Cb 0.47 -3.08 0.00 0.00 -0.02 0.00 0.00 41.12 38.49 3i7u n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i7u n GLY 15 N -1.77 0.70 3.49 0.44 0.00 -1.26 -5.02 105.19 101.77 3i7u n GLY 15 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 3i7u n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7u s GLU 16 N -0.16 1.76 0.04 1.61 2.02 -0.79 -3.38 118.70 119.80 3i7u s GLU 16 Ca 0.00 -1.44 0.09 0.00 0.02 0.00 0.00 54.97 53.64 3i7u s GLU 16 Cb 0.00 -1.97 -0.03 0.00 0.10 0.00 0.00 34.13 32.23 3i7u s GLU 16 CO 0.00 0.41 -0.26 0.54 0.02 0.00 0.00 175.26 175.97 3i7u s VAL 17 N -1.76 2.19 -0.14 2.63 0.11 -0.36 -0.67 120.40 122.40 3i7u s VAL 17 Ca 0.23 -1.37 -0.24 0.00 -2.93 0.00 0.00 61.98 57.67 3i7u s VAL 17 Cb -0.08 -1.85 -0.02 0.00 -1.53 0.00 0.00 36.38 32.90 3i7u s VAL 17 CO 0.13 0.37 0.78 -0.22 -3.33 0.00 0.00 175.10 172.82 3i7u s LEU 18 N -1.24 4.22 0.14 2.54 2.96 0.02 -0.78 118.68 126.54 3i7u s LEU 18 Ca 0.12 1.15 0.06 0.00 -0.22 0.00 0.00 54.13 55.24 3i7u s LEU 18 Cb -0.10 -3.16 -0.04 0.00 0.50 0.00 0.00 46.19 43.39 3i7u s LEU 18 CO 0.02 -0.30 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.86 3i7u s LEU 19 N 1.70 2.45 0.14 -0.68 1.43 -0.16 -4.59 118.68 118.96 3i7u s LEU 19 Ca 0.37 -0.88 0.09 0.00 -1.03 0.00 0.00 54.13 52.68 3i7u s LEU 19 Cb -0.17 -0.52 -0.04 0.00 0.03 0.00 0.00 46.19 45.49 3i7u s LEU 19 CO 0.14 -0.19 -0.20 0.27 0.23 0.00 0.00 176.35 176.61 3i7u s ILE 20 N -2.51 1.80 -0.25 -0.59 -5.25 -0.12 -1.13 121.20 113.16 3i7u s ILE 20 Ca 0.12 -1.78 -0.10 0.00 -0.99 0.00 0.00 60.65 57.91 3i7u s ILE 20 Cb -0.03 -1.75 -0.04 0.00 2.95 0.00 0.00 42.46 43.59 3i7u s ILE 20 CO 0.03 -0.21 0.14 -0.75 -1.79 0.00 0.00 174.94 172.36 3i7u s LYS 21 N -2.45 3.90 0.81 0.37 2.20 -0.78 -0.52 119.74 123.27 3i7u s LYS 21 Ca 0.12 -0.35 -0.12 0.00 -0.36 0.00 0.00 55.97 55.26 3i7u s LYS 21 Cb -0.07 -3.50 0.08 0.00 -1.51 0.00 0.00 37.83 32.82 3i7u s LYS 21 CO 0.06 -0.08 1.17 0.95 -0.36 0.00 0.00 175.35 177.09 3i7u s THR 22 N 1.42 2.11 0.43 3.43 -4.23 0.07 -1.09 115.64 117.78 3i7u s THR 22 Ca 0.06 0.04 0.36 0.00 -1.18 0.00 0.00 61.69 60.97 3i7u s THR 22 Cb -0.15 -3.03 0.36 0.00 1.34 0.00 0.00 72.50 71.03 3i7u s THR 22 CO 0.07 -0.05 2.10 -0.65 -0.54 0.00 0.00 174.62 175.55 3i7u h PRO 23 N -1.04 0.00 -0.07 3.99 0.11 -1.89 0.34 132.00 133.44 3i7u h PRO 23 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3i7u h PRO 23 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3i7u h PRO 23 CO 0.66 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.88 3i7u n SER 24 N -2.81 1.11 -0.00 -2.05 7.64 -1.26 -4.90 113.62 111.35 3i7u n SER 24 Ca -0.02 -1.49 -0.00 0.00 1.01 0.00 0.00 58.87 58.36 3i7u n SER 24 Cb 0.11 -0.04 -0.00 0.00 -1.01 0.00 0.00 64.21 63.27 3i7u n SER 24 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3i7u n ASN 25 N -0.09 -3.87 -4.80 6.43 3.02 0.12 -5.01 115.26 111.06 3i7u n ASN 25 Ca 0.18 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.35 3i7u n ASN 25 Cb 0.26 -1.37 -0.06 0.00 -0.61 0.00 0.00 39.78 38.00 3i7u n ASN 25 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i7u s VAL 26 N -1.71 5.13 0.06 2.41 1.01 -1.25 -4.79 120.40 121.25 3i7u s VAL 26 Ca 0.00 0.78 -0.26 0.00 0.00 0.00 0.00 61.98 62.50 3i7u s VAL 26 Cb 0.00 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 3i7u s VAL 26 CO 0.00 0.51 0.82 0.26 0.00 0.00 0.00 175.10 176.68 3i7u s TRP 27 N -0.52 3.75 0.03 5.22 0.52 -1.26 -0.75 118.94 125.92 3i7u s TRP 27 Ca 0.23 1.55 -0.00 0.00 0.02 0.00 0.00 56.10 57.89 3i7u s TRP 27 Cb -0.16 -2.88 0.00 0.00 -1.15 0.00 0.00 33.47 29.28 3i7u s TRP 27 CO 0.11 0.25 0.04 0.45 0.02 0.00 0.00 176.95 177.82 3i7u n SER 28 N 2.85 -0.12 -4.90 2.95 2.88 0.32 -4.34 113.62 113.25 3i7u n SER 28 Ca -0.01 -1.14 -0.31 0.00 -1.33 0.00 0.00 58.87 56.08 3i7u n SER 28 Cb 0.50 0.22 -0.04 0.00 -0.75 0.00 0.00 64.21 64.13 3i7u n SER 28 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3i7u s PHE 29 N -5.92 3.49 0.23 0.66 0.08 -1.26 -0.94 117.98 114.33 3i7u s PHE 29 Ca 0.02 0.46 -0.30 0.00 0.12 0.00 0.00 56.93 57.23 3i7u s PHE 29 Cb -0.00 -1.93 -0.09 0.00 -0.57 0.00 0.00 43.02 40.43 3i7u s PHE 29 CO 0.01 0.49 1.33 -2.14 -0.10 0.00 0.00 175.22 174.82 3i7u s PRO 30 N -2.57 4.36 0.19 0.24 0.02 -1.26 -4.88 135.00 131.09 3i7u s PRO 30 Ca 0.39 2.13 -0.18 0.00 0.02 0.00 0.00 61.00 63.36 3i7u s PRO 30 Cb -0.12 -3.16 0.03 0.00 0.02 0.00 0.00 34.50 31.27 3i7u s PRO 30 CO 0.25 -0.27 0.52 -1.59 -0.33 0.00 0.00 177.00 175.59 3i7u s LYS 31 N -0.46 1.35 0.07 5.54 -2.85 -1.26 -1.69 119.74 120.44 3i7u s LYS 31 Ca 0.56 -0.82 -0.27 0.00 -1.00 0.00 0.00 55.97 54.44 3i7u s LYS 31 Cb -0.38 0.52 0.08 0.00 -2.06 0.00 0.00 37.83 36.00 3i7u s LYS 31 CO 0.42 -0.57 0.96 0.20 0.10 0.00 0.00 175.35 176.45 3i7u s GLY 32 N -2.86 -0.34 0.37 0.59 0.00 -0.67 -4.97 107.32 99.45 3i7u s GLY 32 Ca 0.08 0.55 -0.28 0.00 0.00 0.00 0.00 44.72 45.07 3i7u s GLY 32 CO -0.04 0.16 1.50 0.21 0.00 0.00 0.00 173.10 174.92 3i7u s ASN 33 N -2.74 6.33 -0.48 1.64 2.47 -1.26 -1.25 114.94 119.64 3i7u s ASN 33 Ca 0.09 3.06 -0.26 0.00 0.42 0.00 0.00 52.86 56.18 3i7u s ASN 33 Cb -0.01 -2.67 0.03 0.00 -1.45 0.00 0.00 41.25 37.15 3i7u s ASN 33 CO -0.03 -0.89 0.96 -0.63 -3.72 0.00 0.00 177.10 172.80 3i7u s ILE 34 N -1.07 4.41 0.57 -5.21 1.01 -0.31 -4.82 121.20 115.77 3i7u s ILE 34 Ca 0.53 0.73 -0.19 0.00 0.00 0.00 0.00 60.65 61.73 3i7u s ILE 34 Cb -0.47 -4.49 -0.05 0.00 0.01 0.00 0.00 42.46 37.47 3i7u s ILE 34 CO 0.63 -0.92 1.14 -1.61 0.00 0.00 0.00 174.94 174.17 3i7u s GLU 35 N 3.93 3.20 0.15 2.79 0.41 -1.26 -4.92 118.70 122.99 3i7u s GLU 35 Ca 0.38 1.62 -0.33 0.00 -0.41 0.00 0.00 54.97 56.22 3i7u s GLU 35 Cb -0.10 -1.98 -0.13 0.00 -1.78 0.00 0.00 34.13 30.14 3i7u s GLU 35 CO 0.26 -0.97 1.64 -2.30 -0.49 0.00 0.00 175.26 173.40 3i7u n PRO 36 N -1.52 2.30 -0.54 0.39 -0.02 -1.26 -1.27 135.00 133.08 3i7u n PRO 36 Ca 0.12 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3i7u n PRO 36 Cb 0.51 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3i7u n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i7u n GLY 37 N 3.63 0.76 3.66 -1.23 0.00 -1.26 -5.04 105.19 105.71 3i7u n GLY 37 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3i7u n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i7u s GLU 38 N -0.46 3.59 0.40 1.61 2.12 -0.40 -5.09 118.70 120.47 3i7u s GLU 38 Ca 0.00 -0.35 -0.23 0.00 0.36 0.00 0.00 54.97 54.74 3i7u s GLU 38 Cb 0.00 -3.05 -0.09 0.00 0.26 0.00 0.00 34.13 31.24 3i7u s GLU 38 CO 0.00 0.46 1.02 0.15 -0.54 0.00 0.00 175.26 176.35 3i7u s LYS 39 N -0.17 4.19 0.32 4.30 1.02 -1.26 -4.75 119.74 123.39 3i7u s LYS 39 Ca 0.07 1.41 0.06 0.00 0.02 0.00 0.00 55.97 57.53 3i7u s LYS 39 Cb -0.12 -2.47 0.74 0.00 -0.52 0.00 0.00 37.83 35.45 3i7u s LYS 39 CO 0.02 -0.10 1.82 -1.35 -0.92 0.00 0.00 175.35 174.82 3i7u h PRO 40 N 2.40 0.76 -0.92 -1.68 0.11 -1.98 -0.46 132.00 130.23 3i7u h PRO 40 Ca -0.48 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 3i7u h PRO 40 Cb 1.21 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 3i7u h PRO 40 CO 0.62 0.50 0.57 0.93 -0.21 0.00 0.00 178.00 180.41 3i7u h GLU 41 N 0.78 1.24 -0.26 1.05 3.07 -1.98 -0.44 114.58 118.04 3i7u h GLU 41 Ca 0.51 -0.10 -0.13 0.00 -0.50 0.00 0.00 59.36 59.14 3i7u h GLU 41 Cb 0.76 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 3i7u h GLU 41 CO -0.28 0.85 -0.38 0.93 -1.40 0.00 0.00 179.01 178.74 3i7u h GLU 42 N 1.26 0.60 -0.26 2.33 5.08 -1.49 -2.17 114.58 119.93 3i7u h GLU 42 Ca 0.33 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3i7u h GLU 42 Cb -0.08 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3i7u h GLU 42 CO -0.06 0.88 0.06 1.15 -1.00 0.00 0.00 179.01 180.04 3i7u h THR 43 N 0.50 1.22 -0.13 1.13 2.02 -0.69 -1.46 112.91 115.50 3i7u h THR 43 Ca 0.05 -0.72 0.02 0.00 0.77 0.00 0.00 66.41 66.54 3i7u h THR 43 Cb 0.88 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 3i7u h THR 43 CO 0.08 0.23 -0.02 0.00 0.37 0.00 0.00 175.52 176.18 3i7u h ALA 44 N 0.88 0.10 -0.47 6.16 0.00 -0.96 0.57 119.26 125.54 3i7u h ALA 44 Ca 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3i7u h ALA 44 Cb 0.29 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3i7u h ALA 44 CO 0.00 -0.47 0.25 0.28 0.00 0.00 0.00 179.25 179.31 3i7u h VAL 45 N 0.02 1.18 -0.23 0.00 2.07 -1.34 -1.98 116.25 115.98 3i7u h VAL 45 Ca 0.06 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3i7u h VAL 45 Cb 0.08 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3i7u h VAL 45 CO -0.12 0.19 0.11 -0.09 0.02 0.00 0.00 177.57 177.68 3i7u h ARG 46 N 0.62 0.33 -0.72 1.57 2.43 -1.02 -1.41 114.38 116.19 3i7u h ARG 46 Ca 0.16 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3i7u h ARG 46 Cb 0.08 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3i7u h ARG 46 CO -0.02 0.34 0.25 0.93 -1.51 0.00 0.00 179.97 179.95 3i7u h GLU 47 N 0.23 1.08 -0.47 0.20 4.39 -0.81 0.37 114.58 119.58 3i7u h GLU 47 Ca 0.08 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.53 3i7u h GLU 47 Cb 0.12 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 3i7u h GLU 47 CO -0.01 0.90 0.14 0.28 -1.16 0.00 0.00 179.01 179.17 3i7u h VAL 48 N 1.05 1.23 0.26 3.13 2.07 -1.25 -0.74 116.25 122.00 3i7u h VAL 48 Ca 0.24 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 3i7u h VAL 48 Cb 0.25 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3i7u h VAL 48 CO -0.01 0.28 -0.12 -0.25 0.02 0.00 0.00 177.57 177.48 3i7u h TRP 49 N 0.63 -0.32 -0.74 1.57 2.91 -0.67 -1.29 115.95 118.04 3i7u h TRP 49 Ca 0.15 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.14 3i7u h TRP 49 Cb 0.28 0.11 -0.03 0.00 -0.51 0.00 0.00 29.16 29.00 3i7u h TRP 49 CO 0.01 -0.17 0.36 0.93 -1.03 0.00 0.00 178.44 178.54 3i7u h GLU 50 N -0.38 1.06 0.00 2.65 5.08 -0.18 0.27 114.58 123.08 3i7u h GLU 50 Ca -0.04 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.07 3i7u h GLU 50 Cb 0.29 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3i7u h GLU 50 CO 0.06 0.82 -0.66 0.93 -1.00 0.00 0.00 179.01 179.16 3i7u h GLU 51 N 1.03 0.00 0.00 2.33 5.08 -1.11 -3.40 114.58 118.50 3i7u h GLU 51 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3i7u h GLU 51 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3i7u h GLU 51 CO -0.03 0.41 -0.67 0.25 -1.00 0.00 0.00 179.01 177.96 3i7u n THR 52 N -3.13 0.00 -0.96 1.13 -2.24 -0.49 -2.51 114.28 106.07 3i7u n THR 52 Ca -0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3i7u n THR 52 Cb 0.73 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 3i7u n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i7u n GLY 53 N 1.85 0.67 3.73 3.38 0.00 0.96 0.72 105.19 116.49 3i7u n GLY 53 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3i7u n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i7u s VAL 54 N -2.64 5.30 -0.18 1.61 1.01 -1.26 -3.70 120.40 120.55 3i7u s VAL 54 Ca 0.00 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 62.00 3i7u s VAL 54 Cb 0.00 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 3i7u s VAL 54 CO 0.00 0.46 0.27 -0.75 0.00 0.00 0.00 175.10 175.08 3i7u s LYS 55 N 0.20 4.23 0.20 2.72 2.47 0.28 -3.43 119.74 126.42 3i7u s LYS 55 Ca 0.08 0.03 0.08 0.00 -1.56 0.00 0.00 55.97 54.60 3i7u s LYS 55 Cb -0.11 -3.44 -0.05 0.00 -1.46 0.00 0.00 37.83 32.77 3i7u s LYS 55 CO -0.01 0.21 -0.16 0.20 0.16 0.00 0.00 175.35 175.75 3i7u s GLY 56 N 0.55 1.44 -0.13 5.54 0.00 -1.26 -1.42 107.32 112.05 3i7u s GLY 56 Ca 0.15 -1.63 -0.01 0.00 0.00 0.00 0.00 44.72 43.23 3i7u s GLY 56 CO 0.03 -1.72 -0.10 1.85 0.00 0.00 0.00 173.10 173.17 3i7u s GLU 57 N -3.43 3.38 0.03 2.90 2.12 -0.54 -4.93 118.70 118.24 3i7u s GLU 57 Ca 0.21 -0.63 -0.30 0.00 0.36 0.00 0.00 54.97 54.61 3i7u s GLU 57 Cb -0.02 -2.70 -0.05 0.00 0.26 0.00 0.00 34.13 31.62 3i7u s GLU 57 CO 0.07 0.27 1.15 0.42 -0.54 0.00 0.00 175.26 176.64 3i7u s ILE 58 N 0.22 4.23 -0.25 -3.70 1.01 -1.26 -1.13 121.20 120.32 3i7u s ILE 58 Ca -0.06 1.60 0.02 0.00 0.00 0.00 0.00 60.65 62.21 3i7u s ILE 58 Cb -0.15 -4.02 -0.18 0.00 0.01 0.00 0.00 42.46 38.12 3i7u s ILE 58 CO 0.04 0.11 -0.19 0.18 0.00 0.00 0.00 174.94 175.08 3i7u n LEU 59 N 4.09 2.81 -3.74 2.97 4.77 0.11 -4.95 117.00 123.06 3i7u n LEU 59 Ca 0.09 -0.12 -0.02 0.00 -0.03 0.00 0.00 56.01 55.92 3i7u n LEU 59 Cb 0.47 -0.85 -0.01 0.00 -2.33 0.00 0.00 43.42 40.71 3i7u n LEU 59 CO 0.55 0.91 0.79 -0.62 -1.33 0.00 0.00 177.39 177.69 3i7u s ASP 60 N -6.49 -0.15 -0.25 -1.43 -1.08 -1.19 -5.01 116.67 101.07 3i7u s ASP 60 Ca -0.33 -0.37 -0.17 0.00 -0.52 0.00 0.00 52.55 51.16 3i7u s ASP 60 Cb 0.09 0.43 -0.03 0.00 -1.46 0.00 0.00 42.92 41.94 3i7u s ASP 60 CO 0.62 -0.79 0.47 -0.47 0.52 0.00 0.00 175.17 175.51 3i7u s TYR 61 N -3.08 3.28 -0.10 -5.34 5.04 -1.26 -0.72 117.35 115.18 3i7u s TYR 61 Ca 0.13 0.59 -0.06 0.00 -2.44 0.00 0.00 57.07 55.29 3i7u s TYR 61 Cb -0.00 -2.66 -0.04 0.00 0.35 0.00 0.00 41.96 39.61 3i7u s TYR 61 CO 0.01 -0.22 0.19 0.82 -1.34 0.00 0.00 175.55 175.01 3i7u h ILE 62 N 5.33 0.23 0.00 3.14 2.04 -1.33 -3.47 117.51 123.45 3i7u h ILE 62 Ca -0.31 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.44 3i7u h ILE 62 Cb 1.15 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3i7u h ILE 62 CO 0.70 0.08 0.00 0.61 0.00 0.00 0.00 178.15 179.54 3i7u n GLY 63 N 1.57 -1.17 2.97 5.37 0.00 -1.17 -4.96 105.19 107.79 3i7u n GLY 63 Ca -0.02 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 3i7u n GLY 63 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i7u s GLU 64 N -0.91 0.28 0.06 1.61 2.12 -1.26 -0.74 118.70 119.86 3i7u s GLU 64 Ca 0.00 -0.46 0.07 0.00 0.36 0.00 0.00 54.97 54.94 3i7u s GLU 64 Cb 0.00 -0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.35 3i7u s GLU 64 CO 0.00 -0.01 -0.19 0.96 -0.54 0.00 0.00 175.26 175.47 3i7u s ILE 65 N -1.01 1.57 0.04 -3.70 -4.36 -0.49 -4.96 121.20 108.27 3i7u s ILE 65 Ca -0.10 -1.25 0.07 0.00 -0.26 0.00 0.00 60.65 59.11 3i7u s ILE 65 Cb -0.07 -1.39 -0.02 0.00 1.25 0.00 0.00 42.46 42.23 3i7u s ILE 65 CO -0.00 0.09 -0.21 -1.00 0.24 0.00 0.00 174.94 174.05 3i7u s HIS 66 N -0.91 1.87 0.01 1.37 3.76 -1.26 -1.04 115.29 119.08 3i7u s HIS 66 Ca 0.06 -0.38 -0.28 0.00 -0.15 0.00 0.00 55.06 54.31 3i7u s HIS 66 Cb -0.09 -1.12 0.08 0.00 1.11 0.00 0.00 32.58 32.56 3i7u s HIS 66 CO 0.02 0.08 0.73 1.52 -0.85 0.00 0.00 174.74 176.25 3i7u s TYR 67 N -0.77 -0.53 0.29 1.40 -0.85 -0.10 -5.01 117.35 111.78 3i7u s TYR 67 Ca 0.08 0.65 0.10 0.00 -0.52 0.00 0.00 57.07 57.38 3i7u s TYR 67 Cb -0.09 0.49 -0.05 0.00 0.38 0.00 0.00 41.96 42.69 3i7u s TYR 67 CO 0.02 -0.64 -0.02 -1.58 -1.52 0.00 0.00 175.55 171.80 3i7u s TRP 68 N -2.33 2.58 0.11 -3.49 0.52 -1.26 -0.74 118.94 114.33 3i7u s TRP 68 Ca -0.03 -0.31 -0.19 0.00 0.02 0.00 0.00 56.10 55.58 3i7u s TRP 68 Cb -0.01 -1.27 0.05 0.00 -1.15 0.00 0.00 33.47 31.09 3i7u s TRP 68 CO -0.02 0.58 0.47 1.52 0.02 0.00 0.00 176.95 179.52 3i7u s TYR 69 N -2.42 -0.33 -0.12 -1.98 -0.85 -0.65 -4.99 117.35 106.01 3i7u s TYR 69 Ca 0.33 0.15 -0.02 0.00 -0.52 0.00 0.00 57.07 57.01 3i7u s TYR 69 Cb -0.04 0.34 -0.03 0.00 0.38 0.00 0.00 41.96 42.61 3i7u s TYR 69 CO 0.19 -0.71 -0.05 0.99 -1.52 0.00 0.00 175.55 174.45 3i7u s THR 70 N -3.34 3.80 -0.04 -3.49 2.01 -1.26 -0.39 115.64 112.92 3i7u s THR 70 Ca -0.00 -0.42 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 3i7u s THR 70 Cb 0.00 -2.61 0.03 0.00 0.01 0.00 0.00 72.50 69.93 3i7u s THR 70 CO -0.09 0.54 0.05 -0.22 -0.69 0.00 0.00 174.62 174.22 3i7u s LEU 71 N -0.18 0.32 -1.49 4.42 2.96 0.02 -4.85 118.68 119.88 3i7u s LEU 71 Ca 0.03 0.07 -0.12 0.00 -0.22 0.00 0.00 54.13 53.89 3i7u s LEU 71 Cb -0.13 -0.14 0.07 0.00 0.50 0.00 0.00 46.19 46.49 3i7u s LEU 71 CO 0.03 -0.23 0.98 0.29 -1.32 0.00 0.00 176.35 176.10 3i7u n LYS 72 N 5.09 -5.75 -0.97 1.98 5.02 -1.26 -1.30 118.16 120.97 3i7u n LYS 72 Ca -0.08 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 3i7u n LYS 72 Cb 0.50 -5.50 0.00 0.00 -0.02 0.00 0.00 35.03 30.01 3i7u n LYS 72 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i7u n GLY 73 N -1.72 0.60 3.42 0.72 0.00 -1.26 -5.02 105.19 101.93 3i7u n GLY 73 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3i7u n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7u s GLU 74 N -0.23 2.12 -0.11 1.61 2.02 -0.42 -5.11 118.70 118.58 3i7u s GLU 74 Ca 0.00 -0.94 -0.24 0.00 0.02 0.00 0.00 54.97 53.81 3i7u s GLU 74 Cb 0.00 -2.17 -0.03 0.00 0.10 0.00 0.00 34.13 32.03 3i7u s GLU 74 CO 0.00 0.56 0.74 1.03 0.02 0.00 0.00 175.26 177.61 3i7u s ARG 75 N -1.13 4.37 -0.09 1.61 1.81 -1.26 -0.80 118.95 123.46 3i7u s ARG 75 Ca 0.13 0.91 0.03 0.00 -1.72 0.00 0.00 55.73 55.08 3i7u s ARG 75 Cb -0.10 -3.50 -0.01 0.00 -0.45 0.00 0.00 34.95 30.88 3i7u s ARG 75 CO 0.03 -0.10 -0.18 0.42 -0.68 0.00 0.00 175.30 174.79 3i7u s ILE 76 N 1.35 2.62 -0.20 1.52 1.01 0.47 -4.57 121.20 123.41 3i7u s ILE 76 Ca 0.37 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 60.07 3i7u s ILE 76 Cb -0.17 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.21 3i7u s ILE 76 CO 0.16 0.56 0.19 0.12 0.00 0.00 0.00 174.94 175.96 3i7u s PHE 77 N 0.01 3.39 -0.00 3.97 5.36 -0.99 -1.64 117.98 128.08 3i7u s PHE 77 Ca -0.06 0.37 0.04 0.00 -0.96 0.00 0.00 56.93 56.32 3i7u s PHE 77 Cb -0.15 -2.25 -0.01 0.00 -0.34 0.00 0.00 43.02 40.27 3i7u s PHE 77 CO 0.05 0.20 -0.14 0.21 -1.46 0.00 0.00 175.22 174.08 3i7u s LYS 78 N 0.63 1.07 0.03 10.12 2.20 0.08 -0.25 119.74 133.61 3i7u s LYS 78 Ca 0.10 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 55.21 3i7u s LYS 78 Cb -0.12 -1.04 -0.02 0.00 -1.51 0.00 0.00 37.83 35.14 3i7u s LYS 78 CO 0.01 0.28 -0.07 0.95 -0.36 0.00 0.00 175.35 176.17 3i7u s THR 79 N -0.40 0.47 -0.06 3.43 -4.23 -0.44 -0.93 115.64 113.48 3i7u s THR 79 Ca 0.05 -0.85 -0.00 0.00 -1.18 0.00 0.00 61.69 59.71 3i7u s THR 79 Cb -0.06 -0.51 0.02 0.00 1.34 0.00 0.00 72.50 73.30 3i7u s THR 79 CO -0.00 -0.27 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.09 3i7u s VAL 80 N -1.07 0.56 -0.08 2.29 1.01 -0.21 -0.59 120.40 122.32 3i7u s VAL 80 Ca -0.07 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 3i7u s VAL 80 Cb -0.08 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 3i7u s VAL 80 CO 0.00 0.26 0.30 -0.54 0.00 0.00 0.00 175.10 175.13 3i7u s LYS 81 N 1.41 3.89 -0.04 2.72 1.02 -0.38 -1.40 119.74 126.96 3i7u s LYS 81 Ca -0.03 0.17 0.07 0.00 0.02 0.00 0.00 55.97 56.20 3i7u s LYS 81 Cb -0.13 -3.27 -0.02 0.00 -0.52 0.00 0.00 37.83 33.88 3i7u s LYS 81 CO -0.03 0.58 -0.23 0.71 -0.92 0.00 0.00 175.35 175.46 3i7u s TYR 82 N -0.59 2.44 -0.01 3.18 2.02 0.08 -0.57 117.35 123.89 3i7u s TYR 82 Ca 0.19 -0.44 0.08 0.00 -0.37 0.00 0.00 57.07 56.53 3i7u s TYR 82 Cb -0.14 -1.55 -0.02 0.00 -0.40 0.00 0.00 41.96 39.84 3i7u s TYR 82 CO 0.08 -0.03 -0.26 0.71 -1.57 0.00 0.00 175.55 174.48 3i7u s TYR 83 N -0.53 2.29 -0.02 2.71 2.02 -0.74 -0.84 117.35 122.24 3i7u s TYR 83 Ca 0.07 -0.43 -0.29 0.00 -0.37 0.00 0.00 57.07 56.05 3i7u s TYR 83 Cb -0.11 -1.46 -0.03 0.00 -0.40 0.00 0.00 41.96 39.96 3i7u s TYR 83 CO 0.00 -0.02 0.94 -1.17 -1.57 0.00 0.00 175.55 173.73 3i7u s LEU 84 N -0.68 4.35 0.14 -1.29 2.96 0.11 -1.56 118.68 122.72 3i7u s LEU 84 Ca 0.10 1.57 0.06 0.00 -0.22 0.00 0.00 54.13 55.64 3i7u s LEU 84 Cb -0.10 -3.49 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 3i7u s LEU 84 CO -0.01 -0.25 -0.14 -0.04 -1.32 0.00 0.00 176.35 174.60 3i7u s MET 85 N 1.05 1.10 -0.02 1.98 -1.94 -0.59 0.07 119.30 120.96 3i7u s MET 85 Ca 0.49 -1.35 0.08 0.00 -1.71 0.00 0.00 55.69 53.20 3i7u s MET 85 Cb -0.20 -0.93 -0.02 0.00 2.01 0.00 0.00 34.83 35.69 3i7u s MET 85 CO 0.26 0.17 -0.26 -1.59 -0.01 0.00 0.00 175.02 173.58 3i7u s LYS 86 N -3.05 2.14 0.49 2.03 -2.85 -0.28 -1.33 119.74 116.88 3i7u s LYS 86 Ca 0.13 -0.92 -0.23 0.00 -1.00 0.00 0.00 55.97 53.95 3i7u s LYS 86 Cb -0.03 -2.04 -0.08 0.00 -2.06 0.00 0.00 37.83 33.62 3i7u s LYS 86 CO 0.04 0.54 1.17 0.98 0.10 0.00 0.00 175.35 178.17 3i7u n TYR 87 N 2.48 1.67 0.00 1.78 9.36 -0.10 -1.47 117.16 130.89 3i7u n TYR 87 Ca -0.16 0.48 0.00 0.00 3.32 0.00 0.00 57.90 61.54 3i7u n TYR 87 Cb 0.51 -2.29 0.00 0.00 -0.63 0.00 0.00 39.34 36.93 3i7u n TYR 87 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3i7u n LYS 88 N -0.41 0.00 -3.78 2.98 4.76 -0.50 -4.79 118.16 116.42 3i7u n LYS 88 Ca 0.10 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.57 3i7u n LYS 88 Cb 0.42 -0.56 0.00 0.00 -1.84 0.00 0.00 35.03 33.05 3i7u n LYS 88 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3i7u s GLU 89 N -1.87 0.15 0.00 1.97 -1.05 -1.13 -5.01 118.70 111.75 3i7u s GLU 89 Ca 0.00 -0.09 0.00 0.00 -0.15 0.00 0.00 54.97 54.73 3i7u s GLU 89 Cb 0.00 0.04 0.00 0.00 -0.44 0.00 0.00 34.13 33.73 3i7u s GLU 89 CO 0.00 -0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.55 3i7u n GLY 90 N -0.71 1.60 3.22 -3.83 0.00 -1.26 -0.55 105.19 103.66 3i7u n GLY 90 Ca -0.03 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 3i7u n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i7u s GLU 91 N -2.88 2.37 -0.31 1.61 2.56 -1.24 -4.83 118.70 115.98 3i7u s GLU 91 Ca 0.00 -0.81 -0.36 0.00 0.00 0.00 0.00 54.97 53.80 3i7u s GLU 91 Cb 0.00 -1.99 -0.12 0.00 2.00 0.00 0.00 34.13 34.02 3i7u s GLU 91 CO 0.00 0.31 2.10 -2.30 -0.56 0.00 0.00 175.26 174.82 3i7u n PRO 92 N 3.08 1.22 -3.63 4.30 -0.02 -1.26 -4.50 135.00 134.19 3i7u n PRO 92 Ca -0.18 0.37 -0.16 0.00 -2.02 0.00 0.00 63.50 61.51 3i7u n PRO 92 Cb 0.52 -2.45 -0.14 0.00 -0.02 0.00 0.00 33.50 31.41 3i7u n PRO 92 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3i7u s ARG 93 N 5.66 0.11 0.69 -0.52 1.81 0.22 -4.90 118.95 122.01 3i7u s ARG 93 Ca 1.06 0.56 -0.16 0.00 -1.72 0.00 0.00 55.73 55.48 3i7u s ARG 93 Cb -0.86 -0.36 0.01 0.00 -0.45 0.00 0.00 34.95 33.29 3i7u s ARG 93 CO 0.51 -0.37 1.18 -1.25 -0.68 0.00 0.00 175.30 174.70 3i7u s PRO 94 N 2.35 2.47 0.69 3.54 0.04 -1.26 -3.76 135.00 139.06 3i7u s PRO 94 Ca 0.03 1.68 -0.01 0.00 0.04 0.00 0.00 61.00 62.74 3i7u s PRO 94 Cb -0.13 -1.88 0.10 0.00 0.04 0.00 0.00 34.50 32.63 3i7u s PRO 94 CO -0.08 -1.57 0.96 -1.54 0.04 0.00 0.00 177.00 174.81 3i7u s SER 95 N -2.08 4.55 0.64 6.66 1.04 -1.04 -4.93 113.70 118.53 3i7u s SER 95 Ca 0.73 -0.20 0.38 0.00 0.48 0.00 0.00 55.95 57.34 3i7u s SER 95 Cb -0.27 -0.30 2.17 0.00 0.10 0.00 0.00 66.02 67.72 3i7u s SER 95 CO 0.42 -1.71 2.32 -0.50 0.98 0.00 0.00 173.24 174.75 3i7u h TRP 96 N -0.43 0.00 -0.14 5.02 4.06 -1.94 -2.81 115.95 119.71 3i7u h TRP 96 Ca -0.38 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.52 3i7u h TRP 96 Cb 1.28 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.43 3i7u h TRP 96 CO -0.05 0.00 -0.10 0.93 -3.56 0.00 0.00 178.44 175.66 3i7u h GLU 97 N 0.00 0.32 -6.19 0.49 4.39 -1.96 -3.46 114.58 108.18 3i7u h GLU 97 Ca 0.00 -0.15 -0.53 0.00 0.34 0.00 0.00 59.36 59.02 3i7u h GLU 97 Cb 0.02 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.61 3i7u h GLU 97 CO -0.00 0.68 -0.53 0.14 -1.16 0.00 0.00 179.01 178.14 3i7u s VAL 98 N -4.45 4.59 0.13 3.13 -7.23 -1.06 -4.66 120.40 110.86 3i7u s VAL 98 Ca -0.14 -1.21 0.12 0.00 -1.81 0.00 0.00 61.98 58.94 3i7u s VAL 98 Cb 0.05 -3.43 -0.04 0.00 0.56 0.00 0.00 36.38 33.53 3i7u s VAL 98 CO 0.74 -0.25 1.50 0.11 -0.31 0.00 0.00 175.10 176.89 3i7u h LYS 99 N 1.82 0.00 -2.43 4.82 1.57 -1.37 -3.39 116.57 117.59 3i7u h LYS 99 Ca -0.49 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.46 3i7u h LYS 99 Cb 1.22 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.46 3i7u h LYS 99 CO 0.62 0.67 0.46 0.34 -0.57 0.00 0.00 179.45 180.97 3i7u s ASP 100 N -6.65 -0.17 -0.19 0.86 -1.08 -1.24 -4.94 116.67 103.26 3i7u s ASP 100 Ca 0.01 -0.46 -0.07 0.00 -0.52 0.00 0.00 52.55 51.51 3i7u s ASP 100 Cb 0.11 0.52 0.08 0.00 -1.46 0.00 0.00 42.92 42.17 3i7u s ASP 100 CO 0.76 -0.97 0.41 0.00 0.52 0.00 0.00 175.17 175.89 3i7u s ALA 101 N -3.27 -1.12 0.04 3.66 0.00 -1.26 -1.87 121.76 117.94 3i7u s ALA 101 Ca 0.13 1.49 -0.20 0.00 0.00 0.00 0.00 51.96 53.37 3i7u s ALA 101 Cb -0.02 -1.25 0.04 0.00 0.00 0.00 0.00 23.12 21.89 3i7u s ALA 101 CO 0.03 -0.67 0.47 0.21 0.00 0.00 0.00 175.76 175.80 3i7u s LYS 102 N 2.41 0.98 0.00 0.00 2.20 -0.28 -4.60 119.74 120.45 3i7u s LYS 102 Ca -0.03 -0.29 -0.17 0.00 -0.36 0.00 0.00 55.97 55.12 3i7u s LYS 102 Cb -0.11 0.44 -0.06 0.00 -1.51 0.00 0.00 37.83 36.59 3i7u s LYS 102 CO -0.13 -0.34 0.49 -0.06 -0.36 0.00 0.00 175.35 174.95 3i7u s PHE 103 N -2.44 3.71 0.00 4.03 0.08 -1.26 -0.99 117.98 121.11 3i7u s PHE 103 Ca -0.05 1.09 0.03 0.00 0.12 0.00 0.00 56.93 58.11 3i7u s PHE 103 Cb -0.01 -2.43 -0.01 0.00 -0.57 0.00 0.00 43.02 40.00 3i7u s PHE 103 CO -0.02 0.52 -0.10 -0.06 -0.10 0.00 0.00 175.22 175.45 3i7u s PHE 104 N -0.71 0.92 0.44 0.36 0.08 0.04 -4.90 117.98 114.22 3i7u s PHE 104 Ca 0.26 -0.22 -0.25 0.00 0.12 0.00 0.00 56.93 56.84 3i7u s PHE 104 Cb -0.17 -0.58 -0.08 0.00 -0.57 0.00 0.00 43.02 41.61 3i7u s PHE 104 CO 0.15 -0.01 1.41 -2.14 -0.10 0.00 0.00 175.22 174.53 3i7u s PRO 105 N -0.49 3.74 0.24 0.24 0.02 -1.26 -1.22 135.00 136.26 3i7u s PRO 105 Ca 0.02 2.39 -0.10 0.00 0.02 0.00 0.00 61.00 63.33 3i7u s PRO 105 Cb -0.05 -2.68 0.36 0.00 0.02 0.00 0.00 34.50 32.15 3i7u s PRO 105 CO -0.00 -0.77 1.62 0.82 -0.33 0.00 0.00 177.00 178.34 3i7u h ILE 106 N 2.34 0.29 -0.69 2.83 2.04 -1.92 0.80 117.51 123.20 3i7u h ILE 106 Ca -0.51 -0.01 0.11 0.00 1.00 0.00 0.00 64.86 65.45 3i7u h ILE 106 Cb 1.26 0.25 -0.08 0.00 -0.74 0.00 0.00 36.82 37.51 3i7u h ILE 106 CO 0.61 0.01 0.28 0.50 0.00 0.00 0.00 178.15 179.55 3i7u h LYS 107 N 0.03 0.44 -0.07 2.37 3.64 -1.91 -1.38 116.57 119.70 3i7u h LYS 107 Ca 0.38 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.54 3i7u h LYS 107 Cb 0.62 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3i7u h LYS 107 CO -0.73 0.29 -0.76 1.49 -2.27 0.00 0.00 179.45 177.48 3i7u h GLU 108 N 0.46 0.40 -0.59 1.90 4.81 -1.43 -3.23 114.58 116.89 3i7u h GLU 108 Ca 0.36 -0.34 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3i7u h GLU 108 Cb 0.48 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 3i7u h GLU 108 CO -0.34 0.99 0.39 0.00 -0.73 0.00 0.00 179.01 179.32 3i7u h ALA 109 N 0.91 0.75 -0.31 2.92 0.00 -0.01 -0.92 119.26 122.60 3i7u h ALA 109 Ca -0.04 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.93 3i7u h ALA 109 Cb 1.34 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3i7u h ALA 109 CO 0.13 0.18 0.23 0.87 0.00 0.00 0.00 179.25 180.66 3i7u h LYS 110 N 0.80 0.00 0.04 0.00 1.57 -1.31 -1.47 116.57 116.20 3i7u h LYS 110 Ca 0.22 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.77 3i7u h LYS 110 Cb -0.08 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.25 3i7u h LYS 110 CO -0.05 0.00 -0.93 -0.22 -0.57 0.00 0.00 179.45 177.67 3i7u h LYS 111 N 0.00 0.57 -0.32 3.15 1.63 -1.25 -3.35 116.57 116.99 3i7u h LYS 111 Ca 0.15 -0.66 -0.10 0.00 -0.85 0.00 0.00 60.65 59.19 3i7u h LYS 111 Cb 0.62 0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 32.44 3i7u h LYS 111 CO -0.00 1.26 -0.20 -0.07 -3.45 0.00 0.00 179.45 176.99 3i7u h LEU 112 N 0.15 0.74 -9.50 5.20 3.38 -0.54 -3.45 115.31 111.29 3i7u h LEU 112 Ca -0.13 -0.43 -0.60 0.00 0.09 0.00 0.00 57.88 56.81 3i7u h LEU 112 Cb 1.62 -0.20 0.11 0.00 0.09 0.00 0.00 40.66 42.27 3i7u h LEU 112 CO 0.18 1.00 0.22 0.18 0.09 0.00 0.00 178.44 180.12 3i7u n LEU 113 N -4.31 2.08 -0.01 1.67 4.77 -0.68 -4.53 117.00 115.99 3i7u n LEU 113 Ca -0.03 1.18 -0.02 0.00 -0.03 0.00 0.00 56.01 57.11 3i7u n LEU 113 Cb 0.42 -1.32 -0.01 0.00 -2.33 0.00 0.00 43.42 40.19 3i7u n LEU 113 CO 0.44 -1.21 -0.57 1.17 -1.33 0.00 0.00 177.39 175.88 3i7u n LYS 114 N 0.87 0.04 -1.93 3.23 4.81 -1.26 -4.99 118.16 118.94 3i7u n LYS 114 Ca 0.10 0.02 -0.42 0.00 -0.87 0.00 0.00 58.31 57.14 3i7u n LYS 114 Cb 0.32 -0.58 -0.03 0.00 0.02 0.00 0.00 35.03 34.76 3i7u n LYS 114 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3i7u s TYR 115 N -2.04 3.01 0.43 5.64 2.02 -1.26 -4.88 117.35 120.27 3i7u s TYR 115 Ca -0.03 0.74 0.16 0.00 -0.37 0.00 0.00 57.07 57.57 3i7u s TYR 115 Cb 0.01 -3.93 1.06 0.00 -0.40 0.00 0.00 41.96 38.71 3i7u s TYR 115 CO 0.04 -3.28 1.93 -0.22 -1.57 0.00 0.00 175.55 172.44 3i7u h LYS 116 N 6.11 0.39 -0.35 -0.62 3.64 -2.00 -0.65 116.57 123.10 3i7u h LYS 116 Ca -0.44 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 58.86 3i7u h LYS 116 Cb 1.21 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 3i7u h LYS 116 CO 0.87 0.26 -0.01 0.78 -2.27 0.00 0.00 179.45 179.07 3i7u h GLY 117 N 0.40 0.67 1.02 5.01 0.00 -2.00 -1.72 103.07 106.45 3i7u h GLY 117 Ca 0.36 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 3i7u h GLY 117 CO -0.11 0.46 0.44 -0.55 0.00 0.00 0.00 176.54 176.79 3i7u h ASP 118 N 0.43 1.00 -0.15 0.19 3.32 -1.52 -1.00 116.42 118.69 3i7u h ASP 118 Ca 0.10 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3i7u h ASP 118 Cb 0.47 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3i7u h ASP 118 CO 0.02 0.81 0.06 0.11 -1.72 0.00 0.00 179.24 178.52 3i7u h LYS 119 N 1.12 0.22 -0.53 3.56 1.57 -1.20 0.13 116.57 121.42 3i7u h LYS 119 Ca 0.28 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3i7u h LYS 119 Cb 0.03 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3i7u h LYS 119 CO -0.05 0.30 0.34 0.93 -0.57 0.00 0.00 179.45 180.40 3i7u h GLU 120 N 0.09 0.71 -0.60 3.15 5.08 -1.12 -1.10 114.58 120.80 3i7u h GLU 120 Ca 0.05 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3i7u h GLU 120 Cb 0.16 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3i7u h GLU 120 CO -0.00 0.49 0.12 0.82 -1.00 0.00 0.00 179.01 179.44 3i7u h ILE 121 N 0.72 1.25 -0.47 3.13 1.08 -1.02 -2.29 117.51 119.92 3i7u h ILE 121 Ca 0.19 -0.95 -0.03 0.00 -0.39 0.00 0.00 64.86 63.69 3i7u h ILE 121 Cb -0.06 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 3i7u h ILE 121 CO -0.04 0.35 0.18 0.15 -0.69 0.00 0.00 178.15 178.10 3i7u h PHE 122 N 0.88 0.72 -0.50 1.37 3.57 -0.41 -0.06 116.94 122.51 3i7u h PHE 122 Ca 0.18 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.64 3i7u h PHE 122 Cb 0.39 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 3i7u h PHE 122 CO 0.03 0.62 0.32 0.93 -2.23 0.00 0.00 178.31 177.98 3i7u h GLU 123 N 0.62 0.64 -0.55 1.11 4.39 -1.10 -0.82 114.58 118.86 3i7u h GLU 123 Ca 0.16 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 3i7u h GLU 123 Cb 0.21 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 3i7u h GLU 123 CO -0.01 0.42 0.17 0.87 -1.16 0.00 0.00 179.01 179.30 3i7u h LYS 124 N 0.66 0.83 -0.55 2.33 1.57 -1.15 -2.75 116.57 117.51 3i7u h LYS 124 Ca 0.19 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 3i7u h LYS 124 Cb -0.06 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3i7u h LYS 124 CO -0.05 0.72 0.03 0.00 -0.57 0.00 0.00 179.45 179.58 3i7u h ALA 125 N 1.38 1.02 -0.30 3.86 0.00 -0.24 -1.77 119.26 123.20 3i7u h ALA 125 Ca 0.18 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3i7u h ALA 125 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3i7u h ALA 125 CO -0.01 0.61 -0.20 -0.07 0.00 0.00 0.00 179.25 179.59 3i7u h LEU 126 N 0.85 0.56 -0.13 0.00 3.38 -0.89 -0.25 115.31 118.83 3i7u h LEU 126 Ca 0.16 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3i7u h LEU 126 Cb 0.47 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.07 3i7u h LEU 126 CO 0.02 0.76 -0.49 0.11 0.09 0.00 0.00 178.44 178.93 3i7u h LYS 127 N 0.50 0.56 0.00 1.13 1.57 -1.29 -3.12 116.57 115.92 3i7u h LYS 127 Ca 0.08 -0.43 -0.06 0.00 -1.87 0.00 0.00 60.65 58.37 3i7u h LYS 127 Cb 0.62 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3i7u h LYS 127 CO 0.04 1.05 -0.29 1.25 -0.57 0.00 0.00 179.45 180.94 3i7u h LEU 128 N 0.18 0.00 -1.15 2.94 5.85 -1.23 -2.90 115.31 118.99 3i7u h LEU 128 Ca -0.03 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 3i7u h LEU 128 Cb 1.13 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 3i7u h LEU 128 CO 0.10 0.29 0.13 0.50 -0.34 0.00 0.00 178.44 179.12 3i7u h LYS 129 N 0.00 0.72 -0.64 1.25 3.64 -0.98 -2.70 116.57 117.87 3i7u h LYS 129 Ca -0.00 -0.13 0.06 0.00 -1.27 0.00 0.00 60.65 59.30 3i7u h LYS 129 Cb 0.59 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 3i7u h LYS 129 CO 0.04 0.65 0.42 0.93 -2.27 0.00 0.00 179.45 179.22 3i7u h GLU 130 N 0.70 0.63 -1.02 1.90 5.08 -1.51 -0.41 114.58 119.96 3i7u h GLU 130 Ca 0.16 -0.04 0.25 0.00 -1.00 0.00 0.00 59.36 58.73 3i7u h GLU 130 Cb 0.24 -0.14 -0.11 0.00 0.50 0.00 0.00 28.75 29.25 3i7u h GLU 130 CO -0.00 0.42 0.63 -0.22 -1.00 0.00 0.00 179.01 178.84 3i7u h LYS 131 N 0.65 0.50 0.00 2.33 3.64 -1.62 -3.40 116.57 118.67 3i7u h LYS 131 Ca 0.27 -0.03 -0.44 0.00 -1.27 0.00 0.00 60.65 59.18 3i7u h LYS 131 Cb 0.24 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3i7u h LYS 131 CO -0.08 0.33 -0.19 1.19 -2.27 0.00 0.00 179.45 178.43 3i7u n PHE 132 N -4.73 -1.04 0.00 1.91 3.01 -0.16 -5.19 117.46 111.26 3i7u n PHE 132 Ca 0.25 -1.80 0.00 0.00 1.01 0.00 0.00 57.45 56.91 3i7u n PHE 132 Cb 0.78 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 3i7u n PHE 132 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13