#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 1.60 0.03 3.17 -2.85 -0.96 -5.01 119.74 115.73 3i7u s LYS 2 Ca 0.00 -1.34 0.04 0.00 -1.00 0.00 0.00 55.97 53.67 3i7u s LYS 2 Cb 0.00 0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 36.20 3i7u s LYS 2 CO 0.00 -0.66 -0.07 0.21 0.10 0.00 0.00 175.35 174.93 3i7u s LYS 3 N -3.85 2.46 -0.05 1.78 2.20 -1.26 -1.35 119.74 119.67 3i7u s LYS 3 Ca 0.24 -0.80 0.06 0.00 -0.36 0.00 0.00 55.97 55.11 3i7u s LYS 3 Cb -0.00 -2.47 -0.01 0.00 -1.51 0.00 0.00 37.83 33.84 3i7u s LYS 3 CO 0.11 0.58 -0.23 -2.00 -0.36 0.00 0.00 175.35 173.44 3i7u s GLU 4 N -1.69 2.35 -0.22 4.03 2.12 0.34 -4.91 118.70 120.71 3i7u s GLU 4 Ca 0.19 -0.82 -0.03 0.00 0.36 0.00 0.00 54.97 54.66 3i7u s GLU 4 Cb -0.11 -2.00 -0.01 0.00 0.26 0.00 0.00 34.13 32.28 3i7u s GLU 4 CO 0.10 0.34 -0.06 -0.06 -0.54 0.00 0.00 175.26 175.04 3i7u s PHE 5 N -0.10 2.94 0.14 5.30 0.08 -1.26 -1.79 117.98 123.29 3i7u s PHE 5 Ca -0.04 -1.00 0.04 0.00 0.12 0.00 0.00 56.93 56.05 3i7u s PHE 5 Cb -0.13 -2.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.19 3i7u s PHE 5 CO 0.03 -0.57 -0.10 -1.12 -0.10 0.00 0.00 175.22 173.37 3i7u s SER 6 N 1.46 1.69 -0.05 1.36 0.01 -0.24 -0.65 113.70 117.29 3i7u s SER 6 Ca 0.06 -1.01 -0.13 0.00 1.31 0.00 0.00 55.95 56.18 3i7u s SER 6 Cb -0.14 0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.12 3i7u s SER 6 CO -0.04 -0.35 0.30 0.00 0.41 0.00 0.00 173.24 173.56 3i7u s ALA 7 N -3.36 -0.75 0.00 1.44 0.00 -0.50 -1.36 121.76 117.24 3i7u s ALA 7 Ca 0.16 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.59 3i7u s ALA 7 Cb 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.04 3i7u s ALA 7 CO -0.00 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.95 3i7u n GLY 8 N 1.80 3.29 3.31 0.00 0.00 -0.27 -1.89 105.19 111.43 3i7u n GLY 8 Ca -0.19 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 3i7u n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i7u s GLY 9 N -0.47 -0.07 -0.45 -0.02 0.00 -0.98 -1.88 107.32 103.45 3i7u s GLY 9 Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 44.72 44.36 3i7u s GLY 9 CO 0.00 -0.50 0.26 0.14 0.00 0.00 0.00 173.10 173.00 3i7u s VAL 10 N -3.85 3.45 -0.22 1.40 1.01 -0.38 -4.22 120.40 117.59 3i7u s VAL 10 Ca 0.06 -2.17 -0.10 0.00 0.00 0.00 0.00 61.98 59.77 3i7u s VAL 10 Cb 0.03 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 3i7u s VAL 10 CO -0.09 -0.73 0.15 -0.22 0.00 0.00 0.00 175.10 174.21 3i7u s LEU 11 N 0.98 4.16 -0.09 3.92 0.20 -1.26 -0.89 118.68 125.70 3i7u s LEU 11 Ca 0.09 0.17 -0.02 0.00 0.69 0.00 0.00 54.13 55.07 3i7u s LEU 11 Cb -0.23 -2.11 -0.03 0.00 -0.43 0.00 0.00 46.19 43.39 3i7u s LEU 11 CO -0.04 0.11 -0.00 -0.36 -0.29 0.00 0.00 176.35 175.78 3i7u s PHE 12 N 0.75 3.15 -0.30 5.38 0.08 -0.54 -1.08 117.98 125.43 3i7u s PHE 12 Ca 0.08 0.18 -0.03 0.00 0.12 0.00 0.00 56.93 57.28 3i7u s PHE 12 Cb -0.12 -1.79 0.10 0.00 -0.57 0.00 0.00 43.02 40.64 3i7u s PHE 12 CO 0.02 0.46 0.13 0.21 -0.10 0.00 0.00 175.22 175.93 3i7u s LYS 13 N -0.86 0.30 -0.87 0.44 2.20 0.20 -0.96 119.74 120.19 3i7u s LYS 13 Ca 0.13 -0.66 -0.05 0.00 -0.36 0.00 0.00 55.97 55.03 3i7u s LYS 13 Cb -0.11 -1.31 0.00 0.00 -1.51 0.00 0.00 37.83 34.90 3i7u s LYS 13 CO 0.02 -1.02 0.67 -0.25 -0.36 0.00 0.00 175.35 174.41 3i7u n ASP 14 N 5.12 -5.83 0.00 1.43 8.00 -1.26 -1.99 116.55 122.02 3i7u n ASP 14 Ca -0.04 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.74 3i7u n ASP 14 Cb 0.42 -3.10 0.00 0.00 -0.02 0.00 0.00 41.12 38.42 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 -1.71 1.20 3.49 0.44 0.00 -1.26 -4.99 105.19 102.35 3i7u n GLY 15 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.18 1.82 0.06 1.61 2.02 -0.84 -1.87 118.70 121.32 3i7u s GLU 16 Ca 0.00 -1.15 0.08 0.00 0.02 0.00 0.00 54.97 53.92 3i7u s GLU 16 Cb 0.00 -2.12 -0.03 0.00 0.10 0.00 0.00 34.13 32.07 3i7u s GLU 16 CO 0.00 0.49 -0.21 0.54 0.02 0.00 0.00 175.26 176.10 3i7u s VAL 17 N -1.12 2.58 -0.14 2.63 0.11 0.15 0.61 120.40 125.23 3i7u s VAL 17 Ca 0.18 -1.34 -0.25 0.00 -2.93 0.00 0.00 61.98 57.63 3i7u s VAL 17 Cb -0.11 -2.09 -0.02 0.00 -1.53 0.00 0.00 36.38 32.64 3i7u s VAL 17 CO 0.10 0.28 0.81 -0.22 -3.33 0.00 0.00 175.10 172.74 3i7u s LEU 18 N -1.56 4.22 0.17 2.54 2.96 -0.24 -1.25 118.68 125.53 3i7u s LEU 18 Ca 0.14 1.20 0.06 0.00 -0.22 0.00 0.00 54.13 55.32 3i7u s LEU 18 Cb -0.10 -3.22 -0.05 0.00 0.50 0.00 0.00 46.19 43.33 3i7u s LEU 18 CO 0.05 -0.32 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.87 3i7u s LEU 19 N 1.76 2.54 0.11 -0.68 1.43 -0.89 -4.62 118.68 118.33 3i7u s LEU 19 Ca 0.39 -1.00 0.04 0.00 -1.03 0.00 0.00 54.13 52.52 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 0.15 -0.24 -0.10 0.27 0.23 0.00 0.00 176.35 176.66 3i7u s ILE 20 N -3.08 0.99 -0.21 -0.59 -5.25 0.33 -1.43 121.20 111.95 3i7u s ILE 20 Ca 0.19 -1.77 -0.03 0.00 -0.99 0.00 0.00 60.65 58.05 3i7u s ILE 20 Cb 0.01 -1.51 -0.01 0.00 2.95 0.00 0.00 42.46 43.90 3i7u s ILE 20 CO 0.04 -0.62 -0.06 -0.75 -1.79 0.00 0.00 174.94 171.76 3i7u s LYS 21 N -3.10 3.35 0.75 0.37 2.20 0.70 -0.32 119.74 123.69 3i7u s LYS 21 Ca 0.09 -0.64 -0.11 0.00 -0.36 0.00 0.00 55.97 54.94 3i7u s LYS 21 Cb -0.01 -2.96 0.04 0.00 -1.51 0.00 0.00 37.83 33.39 3i7u s LYS 21 CO -0.00 -0.18 1.09 0.95 -0.36 0.00 0.00 175.35 176.84 3i7u s THR 22 N 1.42 3.43 0.56 3.43 -4.23 0.61 0.33 115.64 121.19 3i7u s THR 22 Ca 0.05 0.46 0.31 0.00 -1.18 0.00 0.00 61.69 61.34 3i7u s THR 22 Cb -0.14 -3.26 0.46 0.00 1.34 0.00 0.00 72.50 70.90 3i7u s THR 22 CO -0.04 -0.61 1.85 -0.65 -0.54 0.00 0.00 174.62 174.63 3i7u h PRO 23 N -0.90 0.00 -0.27 3.99 0.11 -1.89 0.43 132.00 133.47 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 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3i7u h PRO 23 CO 0.60 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.82 3i7u n SER 24 N -4.01 0.83 -1.62 -2.05 7.64 -1.26 -4.87 113.62 108.27 3i7u n SER 24 Ca 0.16 -2.03 -0.14 0.00 1.01 0.00 0.00 58.87 57.88 3i7u n SER 24 Cb 0.94 -0.16 -0.00 0.00 -1.01 0.00 0.00 64.21 63.97 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 -0.11 -4.28 -4.45 6.43 3.02 0.15 -5.01 115.26 111.01 3i7u n ASN 25 Ca 0.04 -0.03 -0.33 0.00 -0.03 0.00 0.00 54.58 54.23 3i7u n ASN 25 Cb 0.15 -3.42 -0.13 0.00 -0.61 0.00 0.00 39.78 35.77 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 -2.72 3.45 -0.12 2.41 1.01 -1.23 -4.87 120.40 118.33 3i7u s VAL 26 Ca 0.02 -0.53 -0.26 0.00 0.00 0.00 0.00 61.98 61.22 3i7u s VAL 26 Cb -0.01 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 3i7u s VAL 26 CO 0.03 0.52 0.83 0.26 0.00 0.00 0.00 175.10 176.74 3i7u s TRP 27 N 0.18 3.50 0.14 5.22 0.52 -1.26 -0.29 118.94 126.95 3i7u s TRP 27 Ca -0.05 1.33 -0.01 0.00 0.02 0.00 0.00 56.10 57.39 3i7u s TRP 27 Cb -0.14 -2.99 0.01 0.00 -1.15 0.00 0.00 33.47 29.19 3i7u s TRP 27 CO 0.04 -0.13 0.20 0.45 0.02 0.00 0.00 176.95 177.53 3i7u n SER 28 N 4.69 -0.56 -4.86 2.95 2.88 0.56 -4.23 113.62 115.05 3i7u n SER 28 Ca 0.04 -1.72 -0.32 0.00 -1.33 0.00 0.00 58.87 55.53 3i7u n SER 28 Cb 0.50 1.03 -0.06 0.00 -0.75 0.00 0.00 64.21 64.93 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 -4.46 3.40 0.21 0.66 0.08 -1.26 -0.52 117.98 116.10 3i7u s PHE 29 Ca 0.11 1.10 -0.30 0.00 0.12 0.00 0.00 56.93 57.95 3i7u s PHE 29 Cb -0.01 -2.44 -0.10 0.00 -0.57 0.00 0.00 43.02 39.91 3i7u s PHE 29 CO 0.08 0.17 1.44 -1.25 -0.10 0.00 0.00 175.22 175.55 3i7u s PRO 30 N -2.88 4.28 0.27 0.24 0.04 -1.26 -4.84 135.00 130.86 3i7u s PRO 30 Ca 0.51 2.25 -0.18 0.00 0.04 0.00 0.00 61.00 63.62 3i7u s PRO 30 Cb -0.11 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.30 3i7u s PRO 30 CO 0.19 -0.43 0.64 -1.59 0.04 0.00 0.00 177.00 175.86 3i7u s LYS 31 N 0.06 1.72 0.07 4.56 -2.85 -1.26 -2.32 119.74 119.73 3i7u s LYS 31 Ca 0.61 -1.08 -0.27 0.00 -1.00 0.00 0.00 55.97 54.23 3i7u s LYS 31 Cb -0.41 0.57 0.08 0.00 -2.06 0.00 0.00 37.83 36.01 3i7u s LYS 31 CO 0.39 -0.77 0.97 0.20 0.10 0.00 0.00 175.35 176.25 3i7u s GLY 32 N -2.95 -0.33 0.51 0.59 0.00 -0.79 -4.84 107.32 99.50 3i7u s GLY 32 Ca 0.15 0.52 -0.21 0.00 0.00 0.00 0.00 44.72 45.18 3i7u s GLY 32 CO 0.08 0.14 1.15 -1.31 0.00 0.00 0.00 173.10 173.16 3i7u s ASN 33 N -2.77 5.88 0.66 1.64 0.02 -1.26 -1.40 114.94 117.71 3i7u s ASN 33 Ca 0.10 2.25 -0.16 0.00 -1.02 0.00 0.00 52.86 54.02 3i7u s ASN 33 Cb -0.01 -2.59 0.00 0.00 0.02 0.00 0.00 41.25 38.67 3i7u s ASN 33 CO -0.02 -1.11 1.17 -0.51 0.02 0.00 0.00 177.10 176.65 3i7u s ILE 34 N -1.66 2.74 0.18 0.60 2.07 0.18 -4.89 121.20 120.41 3i7u s ILE 34 Ca 0.69 0.39 0.08 0.00 -1.41 0.00 0.00 60.65 60.39 3i7u s ILE 34 Cb -0.26 -2.99 -0.04 0.00 0.13 0.00 0.00 42.46 39.30 3i7u s ILE 34 CO 0.31 -0.17 -0.01 -1.61 -1.91 0.00 0.00 174.94 171.55 3i7u s GLU 35 N -3.78 2.36 -0.05 3.50 0.41 -1.26 -5.04 118.70 114.85 3i7u s GLU 35 Ca 0.73 -1.14 -0.36 0.00 -0.41 0.00 0.00 54.97 53.79 3i7u s GLU 35 Cb -0.26 -2.33 -0.14 0.00 -1.78 0.00 0.00 34.13 29.62 3i7u s GLU 35 CO 0.40 0.45 1.71 -2.30 -0.49 0.00 0.00 175.26 175.02 3i7u n PRO 36 N -0.14 1.80 -0.85 0.39 -0.02 -1.26 -1.99 135.00 132.93 3i7u n PRO 36 Ca -0.10 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3i7u n PRO 36 Cb 0.55 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 3.87 0.91 3.82 -1.23 0.00 -1.26 -5.04 105.19 106.26 3i7u n GLY 37 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 3i7u n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7u s GLU 38 N -0.15 4.25 0.43 1.61 2.02 -0.84 -5.07 118.70 120.95 3i7u s GLU 38 Ca 0.00 0.96 -0.04 0.00 0.02 0.00 0.00 54.97 55.91 3i7u s GLU 38 Cb 0.00 -2.61 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 3i7u s GLU 38 CO 0.00 0.23 0.71 0.15 0.02 0.00 0.00 175.26 176.37 3i7u s LYS 39 N -2.49 3.54 0.37 1.61 1.02 -1.26 -4.89 119.74 117.65 3i7u s LYS 39 Ca 0.51 0.06 0.09 0.00 0.02 0.00 0.00 55.97 56.66 3i7u s LYS 39 Cb -0.14 -2.47 0.84 0.00 -0.52 0.00 0.00 37.83 35.55 3i7u s LYS 39 CO 0.19 -0.08 1.92 -1.00 -0.92 0.00 0.00 175.35 175.46 3i7u h PRO 40 N 0.49 0.63 -0.55 -1.68 0.13 -1.98 -1.06 132.00 127.99 3i7u h PRO 40 Ca -0.48 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 3i7u h PRO 40 Cb 1.21 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 3i7u h PRO 40 CO 0.62 0.42 0.18 0.93 -0.23 0.00 0.00 178.00 179.92 3i7u h GLU 41 N 0.65 0.80 -0.27 0.86 3.07 -1.98 -0.43 114.58 117.29 3i7u h GLU 41 Ca 0.38 -0.14 -0.08 0.00 -0.50 0.00 0.00 59.36 59.02 3i7u h GLU 41 Cb 0.57 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 3i7u h GLU 41 CO -0.14 0.69 -0.14 0.93 -1.40 0.00 0.00 179.01 178.94 3i7u h GLU 42 N 0.79 0.58 -0.49 2.33 5.08 -1.60 -2.83 114.58 118.44 3i7u h GLU 42 Ca 0.18 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3i7u h GLU 42 Cb 0.21 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3i7u h GLU 42 CO -0.01 0.83 0.29 1.15 -1.00 0.00 0.00 179.01 180.27 3i7u h THR 43 N 0.31 1.16 -0.12 1.13 2.02 -1.05 -2.56 112.91 113.79 3i7u h THR 43 Ca 0.06 -0.36 0.04 0.00 0.77 0.00 0.00 66.41 66.91 3i7u h THR 43 Cb 0.66 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 3i7u h THR 43 CO 0.04 0.16 -0.13 0.00 0.37 0.00 0.00 175.52 175.96 3i7u h ALA 44 N 1.13 -0.05 -0.10 6.16 0.00 -1.02 -0.64 119.26 124.74 3i7u h ALA 44 Ca 0.18 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3i7u h ALA 44 Cb 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3i7u h ALA 44 CO -0.03 -0.58 0.05 0.28 0.00 0.00 0.00 179.25 178.96 3i7u h VAL 45 N -0.16 1.10 -0.21 0.00 2.07 -1.43 -2.39 116.25 115.24 3i7u h VAL 45 Ca 0.09 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 3i7u h VAL 45 Cb 0.29 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3i7u h VAL 45 CO -0.22 0.09 0.13 -0.09 0.02 0.00 0.00 177.57 177.50 3i7u h ARG 46 N 0.05 0.28 -0.27 1.57 2.43 -1.30 -2.70 114.38 114.44 3i7u h ARG 46 Ca 0.03 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 3i7u h ARG 46 Cb 0.10 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3i7u h ARG 46 CO -0.00 0.22 -0.23 0.93 -1.51 0.00 0.00 179.97 179.38 3i7u h GLU 47 N 0.25 0.51 -0.50 0.20 4.39 -1.13 -1.29 114.58 117.02 3i7u h GLU 47 Ca 0.07 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 3i7u h GLU 47 Cb 0.01 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 3i7u h GLU 47 CO -0.01 0.71 0.14 0.28 -1.16 0.00 0.00 179.01 178.96 3i7u h VAL 48 N 0.45 1.24 -0.47 3.13 2.07 -1.35 -0.33 116.25 120.99 3i7u h VAL 48 Ca 0.07 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.71 3i7u h VAL 48 Cb 0.65 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3i7u h VAL 48 CO 0.05 0.30 0.05 -0.25 0.02 0.00 0.00 177.57 177.73 3i7u h TRP 49 N 0.68 0.85 -0.23 1.57 7.01 -1.28 -0.52 115.95 124.03 3i7u h TRP 49 Ca 0.16 -0.13 -0.10 0.00 2.11 0.00 0.00 58.89 60.93 3i7u h TRP 49 Cb 0.31 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.13 3i7u h TRP 49 CO 0.02 0.80 -0.28 0.93 -2.79 0.00 0.00 178.44 177.12 3i7u h GLU 50 N 0.66 0.46 0.04 2.65 5.08 -1.07 1.19 114.58 123.59 3i7u h GLU 50 Ca 0.14 -0.18 -0.26 0.00 -1.00 0.00 0.00 59.36 58.06 3i7u h GLU 50 Cb 0.43 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3i7u h GLU 50 CO 0.01 0.71 -1.32 1.49 -1.00 0.00 0.00 179.01 178.90 3i7u h GLU 51 N 0.41 0.08 0.00 2.33 4.81 -0.95 -3.40 114.58 117.85 3i7u h GLU 51 Ca 0.06 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3i7u h GLU 51 Cb 0.71 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.13 3i7u h GLU 51 CO 0.05 0.91 -0.07 0.25 -0.73 0.00 0.00 179.01 179.43 3i7u n THR 52 N -3.31 0.00 -0.97 0.32 -2.24 -0.21 -2.16 114.28 105.71 3i7u n THR 52 Ca -0.09 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3i7u n THR 52 Cb 1.00 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 70.19 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 1.08 0.49 3.67 3.38 0.00 0.41 -0.05 105.19 114.16 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 -2.19 4.77 -0.21 1.61 1.01 -1.24 -3.65 120.40 120.51 3i7u s VAL 54 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 3i7u s VAL 54 Cb 0.00 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 3i7u s VAL 54 CO 0.00 0.50 0.19 -0.75 0.00 0.00 0.00 175.10 175.04 3i7u s LYS 55 N 0.01 4.15 0.36 2.72 2.20 -0.47 -3.04 119.74 125.68 3i7u s LYS 55 Ca 0.06 -0.16 0.05 0.00 -0.36 0.00 0.00 55.97 55.56 3i7u s LYS 55 Cb -0.12 -3.48 -0.07 0.00 -1.51 0.00 0.00 37.83 32.66 3i7u s LYS 55 CO 0.01 0.17 0.05 0.20 -0.36 0.00 0.00 175.35 175.41 3i7u s GLY 56 N 0.70 2.26 -0.13 5.54 0.00 -1.26 -1.40 107.32 113.04 3i7u s GLY 56 Ca 0.10 -2.04 0.02 0.00 0.00 0.00 0.00 44.72 42.79 3i7u s GLY 56 CO 0.02 -1.92 -0.19 1.85 0.00 0.00 0.00 173.10 172.86 3i7u s GLU 57 N -3.83 3.16 -0.07 2.90 2.56 -0.17 -4.89 118.70 118.36 3i7u s GLU 57 Ca 0.35 -0.80 -0.30 0.00 0.00 0.00 0.00 54.97 54.22 3i7u s GLU 57 Cb 0.09 -2.47 -0.03 0.00 2.00 0.00 0.00 34.13 33.71 3i7u s GLU 57 CO 0.16 0.12 1.20 0.42 -0.56 0.00 0.00 175.26 176.60 3i7u s ILE 58 N 0.52 4.28 -0.18 -3.70 1.01 -1.26 -0.62 121.20 121.25 3i7u s ILE 58 Ca -0.12 1.60 0.13 0.00 0.00 0.00 0.00 60.65 62.26 3i7u s ILE 58 Cb -0.17 -4.03 -0.20 0.00 0.01 0.00 0.00 42.46 38.07 3i7u s ILE 58 CO 0.05 -0.02 0.01 0.18 0.00 0.00 0.00 174.94 175.16 3i7u n LEU 59 N 5.34 0.57 -3.62 2.97 4.77 0.22 -4.97 117.00 122.28 3i7u n LEU 59 Ca 0.11 -0.02 -0.01 0.00 -0.03 0.00 0.00 56.01 56.06 3i7u n LEU 59 Cb 0.46 0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.74 3i7u n LEU 59 CO 0.55 0.52 1.00 -0.62 -1.33 0.00 0.00 177.39 177.52 3i7u s ASP 60 N -5.37 -0.10 -0.12 -1.43 2.15 -1.20 -4.99 116.67 105.62 3i7u s ASP 60 Ca -0.13 -0.10 -0.22 0.00 0.43 0.00 0.00 52.55 52.53 3i7u s ASP 60 Cb 0.06 0.19 -0.03 0.00 -0.30 0.00 0.00 42.92 42.83 3i7u s ASP 60 CO 0.69 -0.33 0.66 -0.47 -0.17 0.00 0.00 175.17 175.54 3i7u s TYR 61 N -2.51 3.50 -0.16 -5.34 5.04 -1.26 -0.02 117.35 116.59 3i7u s TYR 61 Ca 0.12 1.11 -0.13 0.00 -2.44 0.00 0.00 57.07 55.73 3i7u s TYR 61 Cb 0.02 -2.78 -0.07 0.00 0.35 0.00 0.00 41.96 39.48 3i7u s TYR 61 CO -0.04 0.01 -0.12 -0.89 -1.34 0.00 0.00 175.55 173.16 3i7u n ILE 62 N 4.07 1.45 -3.25 3.14 5.41 -0.18 -4.88 119.36 125.12 3i7u n ILE 62 Ca -0.02 0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.87 3i7u n ILE 62 Cb 0.51 -2.30 0.00 0.00 -0.71 0.00 0.00 39.64 37.14 3i7u n ILE 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i7u n GLY 63 N 1.55 -1.27 2.92 7.39 0.00 -1.17 -4.97 105.19 109.63 3i7u n GLY 63 Ca -0.15 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.50 0.22 0.18 1.61 2.12 -1.26 -0.18 118.70 120.89 3i7u s GLU 64 Ca 0.00 -0.12 0.08 0.00 0.36 0.00 0.00 54.97 55.29 3i7u s GLU 64 Cb 0.00 -0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.15 3i7u s GLU 64 CO 0.00 0.05 -0.17 0.96 -0.54 0.00 0.00 175.26 175.56 3i7u s ILE 65 N -0.13 1.79 0.08 -3.70 -0.00 -0.79 -4.98 121.20 113.48 3i7u s ILE 65 Ca 0.00 -2.00 -0.08 0.00 -0.00 0.00 0.00 60.65 58.57 3i7u s ILE 65 Cb -0.01 -1.89 -0.01 0.00 -0.00 0.00 0.00 42.46 40.55 3i7u s ILE 65 CO -0.00 -0.40 0.17 -1.38 -0.00 0.00 0.00 174.94 173.32 3i7u s HIS 66 N -2.33 0.18 -0.16 1.37 -3.43 -1.26 -0.94 115.29 108.72 3i7u s HIS 66 Ca 0.18 -0.61 -0.32 0.00 -0.80 0.00 0.00 55.06 53.51 3i7u s HIS 66 Cb -0.04 -0.09 0.14 0.00 -1.43 0.00 0.00 32.58 31.15 3i7u s HIS 66 CO 0.07 -0.51 1.11 1.52 -2.00 0.00 0.00 174.74 174.92 3i7u s TYR 67 N -3.74 -0.22 0.20 0.38 -0.85 -0.37 -5.00 117.35 107.75 3i7u s TYR 67 Ca 0.04 0.25 -0.03 0.00 -0.52 0.00 0.00 57.07 56.81 3i7u s TYR 67 Cb 0.05 0.50 -0.05 0.00 0.38 0.00 0.00 41.96 42.84 3i7u s TYR 67 CO -0.10 -0.28 0.42 -1.58 -1.52 0.00 0.00 175.55 172.48 3i7u s TRP 68 N -2.02 3.48 0.03 -3.49 0.52 -1.26 -0.92 118.94 115.29 3i7u s TRP 68 Ca 0.06 0.47 -0.27 0.00 0.02 0.00 0.00 56.10 56.37 3i7u s TRP 68 Cb -0.01 -1.95 0.09 0.00 -1.15 0.00 0.00 33.47 30.45 3i7u s TRP 68 CO -0.04 0.35 0.82 1.52 0.02 0.00 0.00 176.95 179.62 3i7u s TYR 69 N -1.85 -0.39 -0.00 -1.98 -0.85 -0.65 -4.98 117.35 106.64 3i7u s TYR 69 Ca 0.40 0.24 0.04 0.00 -0.52 0.00 0.00 57.07 57.23 3i7u s TYR 69 Cb -0.11 0.54 -0.03 0.00 0.38 0.00 0.00 41.96 42.74 3i7u s TYR 69 CO 0.28 -0.62 -0.10 0.99 -1.52 0.00 0.00 175.55 174.58 3i7u s THR 70 N -3.27 3.44 -0.20 -3.49 2.01 -1.26 0.00 115.64 112.87 3i7u s THR 70 Ca 0.04 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.19 3i7u s THR 70 Cb -0.01 -2.46 0.08 0.00 0.01 0.00 0.00 72.50 70.12 3i7u s THR 70 CO -0.10 0.43 0.17 -0.22 -0.69 0.00 0.00 174.62 174.21 3i7u s LEU 71 N -1.27 0.10 -1.20 4.42 2.96 -0.73 -4.85 118.68 118.11 3i7u s LEU 71 Ca 0.15 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.58 3i7u s LEU 71 Cb -0.11 0.10 0.00 0.00 0.50 0.00 0.00 46.19 46.68 3i7u s LEU 71 CO 0.06 -0.34 0.36 1.17 -1.32 0.00 0.00 176.35 176.27 3i7u n LYS 72 N 5.30 -3.14 -0.08 1.98 4.81 -1.26 -2.88 118.16 122.89 3i7u n LYS 72 Ca -0.06 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 3i7u n LYS 72 Cb 0.49 -5.07 0.00 0.00 0.02 0.00 0.00 35.03 30.46 3i7u n LYS 72 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i7u n GLY 73 N -1.26 1.36 3.67 3.14 0.00 -1.26 -5.05 105.19 105.79 3i7u n GLY 73 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 3i7u n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i7u s GLU 74 N -0.51 3.07 -0.03 1.61 2.12 -1.14 -5.05 118.70 118.78 3i7u s GLU 74 Ca 0.00 -0.41 -0.30 0.00 0.36 0.00 0.00 54.97 54.62 3i7u s GLU 74 Cb 0.00 -2.82 -0.03 0.00 0.26 0.00 0.00 34.13 31.54 3i7u s GLU 74 CO 0.00 0.66 1.05 1.03 -0.54 0.00 0.00 175.26 177.45 3i7u s ARG 75 N -0.75 4.48 -0.13 4.30 0.52 -1.26 -1.77 118.95 124.33 3i7u s ARG 75 Ca 0.12 1.50 0.03 0.00 -0.52 0.00 0.00 55.73 56.85 3i7u s ARG 75 Cb -0.12 -3.48 0.01 0.00 0.52 0.00 0.00 34.95 31.88 3i7u s ARG 75 CO 0.02 -0.20 -0.22 0.42 0.02 0.00 0.00 175.30 175.33 3i7u s ILE 76 N 1.45 2.07 -0.33 1.52 1.01 0.10 -2.26 121.20 124.76 3i7u s ILE 76 Ca 0.52 -0.99 -0.14 0.00 0.00 0.00 0.00 60.65 60.04 3i7u s ILE 76 Cb -0.22 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 3i7u s ILE 76 CO 0.25 0.55 0.32 0.12 0.00 0.00 0.00 174.94 176.18 3i7u s PHE 77 N 0.70 3.22 -0.10 3.97 5.36 -0.46 -1.64 117.98 129.02 3i7u s PHE 77 Ca -0.10 -0.02 -0.01 0.00 -0.96 0.00 0.00 56.93 55.84 3i7u s PHE 77 Cb -0.16 -2.59 -0.03 0.00 -0.34 0.00 0.00 43.02 39.90 3i7u s PHE 77 CO 0.01 -0.38 -0.05 0.21 -1.46 0.00 0.00 175.22 173.55 3i7u s LYS 78 N 1.93 3.08 -0.06 10.12 2.20 -0.10 -0.51 119.74 136.41 3i7u s LYS 78 Ca 0.10 -0.52 0.04 0.00 -0.36 0.00 0.00 55.97 55.24 3i7u s LYS 78 Cb -0.17 -2.72 -0.00 0.00 -1.51 0.00 0.00 37.83 33.43 3i7u s LYS 78 CO 0.11 0.53 -0.20 0.95 -0.36 0.00 0.00 175.35 176.39 3i7u s THR 79 N -0.44 1.65 -0.12 3.43 -4.23 -0.74 -1.23 115.64 113.96 3i7u s THR 79 Ca 0.07 -0.82 0.01 0.00 -1.18 0.00 0.00 61.69 59.77 3i7u s THR 79 Cb -0.12 -1.42 0.02 0.00 1.34 0.00 0.00 72.50 72.31 3i7u s THR 79 CO 0.02 0.47 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.75 3i7u s VAL 80 N 0.13 1.44 -0.11 2.29 1.01 -0.12 -1.08 120.40 123.95 3i7u s VAL 80 Ca -0.08 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 3i7u s VAL 80 Cb -0.14 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 3i7u s VAL 80 CO 0.04 0.43 0.30 -0.54 0.00 0.00 0.00 175.10 175.33 3i7u s LYS 81 N 1.27 4.04 -0.04 2.72 1.02 -0.46 -1.88 119.74 126.41 3i7u s LYS 81 Ca -0.01 0.14 0.03 0.00 0.02 0.00 0.00 55.97 56.15 3i7u s LYS 81 Cb -0.14 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.81 3i7u s LYS 81 CO -0.06 0.44 -0.11 0.71 -0.92 0.00 0.00 175.35 175.41 3i7u s TYR 82 N -0.15 2.79 0.03 3.18 2.02 0.75 -1.11 117.35 124.85 3i7u s TYR 82 Ca 0.18 -0.10 0.06 0.00 -0.37 0.00 0.00 57.07 56.85 3i7u s TYR 82 Cb -0.14 -1.63 -0.02 0.00 -0.40 0.00 0.00 41.96 39.77 3i7u s TYR 82 CO 0.06 0.27 -0.18 0.71 -1.57 0.00 0.00 175.55 174.83 3i7u s TYR 83 N -0.82 1.62 -0.05 2.71 2.02 -0.79 -1.01 117.35 121.04 3i7u s TYR 83 Ca 0.13 -0.35 -0.30 0.00 -0.37 0.00 0.00 57.07 56.18 3i7u s TYR 83 Cb -0.11 -0.99 -0.03 0.00 -0.40 0.00 0.00 41.96 40.44 3i7u s TYR 83 CO 0.02 0.05 1.12 -1.17 -1.57 0.00 0.00 175.55 174.00 3i7u s LEU 84 N -0.95 4.29 0.22 -1.29 2.96 0.97 -1.24 118.68 123.64 3i7u s LEU 84 Ca 0.06 1.75 0.07 0.00 -0.22 0.00 0.00 54.13 55.79 3i7u s LEU 84 Cb -0.08 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 3i7u s LEU 84 CO 0.01 -0.49 -0.11 -0.04 -1.32 0.00 0.00 176.35 174.40 3i7u s MET 85 N 1.86 1.37 -0.02 1.98 -1.94 -0.07 0.71 119.30 123.19 3i7u s MET 85 Ca 0.54 -1.64 0.05 0.00 -1.71 0.00 0.00 55.69 52.93 3i7u s MET 85 Cb -0.23 -1.06 -0.01 0.00 2.01 0.00 0.00 34.83 35.54 3i7u s MET 85 CO 0.23 0.12 -0.17 -1.59 -0.01 0.00 0.00 175.02 173.60 3i7u s LYS 86 N -3.69 1.52 0.27 2.03 -2.85 0.21 -1.46 119.74 115.78 3i7u s LYS 86 Ca 0.24 -0.60 -0.29 0.00 -1.00 0.00 0.00 55.97 54.32 3i7u s LYS 86 Cb 0.01 -1.41 -0.14 0.00 -2.06 0.00 0.00 37.83 34.23 3i7u s LYS 86 CO 0.08 0.31 1.16 0.98 0.10 0.00 0.00 175.35 177.98 3i7u n TYR 87 N 2.86 1.62 0.03 1.78 9.36 -0.13 -1.00 117.16 131.68 3i7u n TYR 87 Ca -0.16 0.63 -0.01 0.00 3.32 0.00 0.00 57.90 61.68 3i7u n TYR 87 Cb 0.54 -2.32 -0.00 0.00 -0.63 0.00 0.00 39.34 36.92 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 1.09 0.05 -3.88 2.98 5.02 -0.49 -4.81 118.16 118.11 3i7u n LYS 88 Ca 0.10 0.02 -0.02 0.00 -2.02 0.00 0.00 58.31 56.39 3i7u n LYS 88 Cb 0.31 -0.58 0.02 0.00 -0.02 0.00 0.00 35.03 34.75 3i7u n LYS 88 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3i7u s GLU 89 N -2.08 1.17 0.00 1.97 -1.05 -1.13 -5.02 118.70 112.55 3i7u s GLU 89 Ca -0.03 -0.75 0.00 0.00 -0.15 0.00 0.00 54.97 54.05 3i7u s GLU 89 Cb 0.00 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 3i7u s GLU 89 CO 0.04 -0.55 0.00 0.41 0.95 0.00 0.00 175.26 176.11 3i7u n GLY 90 N -0.71 0.11 3.01 -3.83 0.00 -1.26 -1.36 105.19 101.15 3i7u n GLY 90 Ca -0.02 -1.88 -0.18 0.00 0.00 0.00 0.00 46.02 43.94 3i7u n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7u s GLU 91 N -1.58 0.67 -0.25 1.61 2.02 -1.24 -4.89 118.70 115.04 3i7u s GLU 91 Ca 0.00 -0.31 -0.30 0.00 0.02 0.00 0.00 54.97 54.38 3i7u s GLU 91 Cb 0.00 -0.65 -0.07 0.00 0.10 0.00 0.00 34.13 33.51 3i7u s GLU 91 CO 0.00 0.18 2.20 -0.35 0.02 0.00 0.00 175.26 177.31 3i7u n PRO 92 N 2.84 1.72 -3.54 0.39 -0.04 -1.25 -4.39 135.00 130.73 3i7u n PRO 92 Ca -0.13 0.48 -0.28 0.00 -0.04 0.00 0.00 63.50 63.53 3i7u n PRO 92 Cb 0.57 -2.98 -0.15 0.00 -0.04 0.00 0.00 33.50 30.90 3i7u n PRO 92 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3i7u s ARG 93 N 6.21 0.18 0.28 0.54 0.52 0.93 -4.88 118.95 122.72 3i7u s ARG 93 Ca 1.03 -0.43 -0.30 0.00 -0.52 0.00 0.00 55.73 55.51 3i7u s ARG 93 Cb -0.50 -1.23 -0.12 0.00 0.52 0.00 0.00 34.95 33.62 3i7u s ARG 93 CO 0.40 -0.96 1.57 -0.35 0.02 0.00 0.00 175.30 175.97 3i7u n PRO 94 N 5.26 2.58 -1.23 3.54 -0.04 -1.26 -4.09 135.00 139.76 3i7u n PRO 94 Ca -0.06 0.92 -0.29 0.00 -0.04 0.00 0.00 63.50 64.03 3i7u n PRO 94 Cb 0.43 -2.68 0.23 0.00 -0.04 0.00 0.00 33.50 31.44 3i7u n PRO 94 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3i7u n SER 95 N 2.25 -1.46 0.00 3.54 3.41 -0.92 -4.90 113.62 115.54 3i7u n SER 95 Ca 0.09 -1.23 0.10 0.00 -0.26 0.00 0.00 58.87 57.57 3i7u n SER 95 Cb 0.36 -0.97 0.45 0.00 -0.26 0.00 0.00 64.21 63.79 3i7u n SER 95 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 3i7u n TRP 96 N -4.50 0.00 0.76 7.33 4.27 -1.26 -2.91 117.44 121.14 3i7u n TRP 96 Ca 0.15 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.89 3i7u n TRP 96 Cb 0.56 -0.41 0.33 0.00 -1.36 0.00 0.00 31.31 30.43 3i7u n TRP 96 CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 3i7u n GLU 97 N -1.41 0.17 -4.56 -2.67 1.02 -1.26 -4.84 120.64 107.08 3i7u n GLU 97 Ca 0.07 0.08 -0.23 0.00 -0.02 0.00 0.00 57.16 57.06 3i7u n GLU 97 Cb 0.20 -1.64 -0.14 0.00 -0.02 0.00 0.00 31.44 29.84 3i7u n GLU 97 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3i7u s VAL 98 N -3.08 1.37 0.38 2.62 -7.23 -1.14 -4.53 120.40 108.79 3i7u s VAL 98 Ca 0.10 -1.01 0.15 0.00 -1.81 0.00 0.00 61.98 59.40 3i7u s VAL 98 Cb 0.15 -1.20 0.13 0.00 0.56 0.00 0.00 36.38 36.02 3i7u s VAL 98 CO 0.65 0.16 1.88 0.11 -0.31 0.00 0.00 175.10 177.59 3i7u h LYS 99 N 5.08 0.00 -2.11 4.82 1.57 -0.36 -3.41 116.57 122.16 3i7u h LYS 99 Ca -0.39 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.53 3i7u h LYS 99 Cb 1.17 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.32 3i7u h LYS 99 CO 0.45 0.31 0.56 0.34 -0.57 0.00 0.00 179.45 180.54 3i7u s ASP 100 N -6.86 -0.31 -0.13 0.86 2.15 -1.20 -4.93 116.67 106.25 3i7u s ASP 100 Ca -0.03 -0.01 -0.04 0.00 0.43 0.00 0.00 52.55 52.90 3i7u s ASP 100 Cb 0.14 0.34 0.06 0.00 -0.30 0.00 0.00 42.92 43.16 3i7u s ASP 100 CO 0.71 -0.55 0.17 0.00 -0.17 0.00 0.00 175.17 175.33 3i7u s ALA 101 N -2.97 -0.09 -0.01 3.66 0.00 -1.26 -0.21 121.76 120.87 3i7u s ALA 101 Ca 0.06 0.32 -0.15 0.00 0.00 0.00 0.00 51.96 52.19 3i7u s ALA 101 Cb -0.01 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 22.13 3i7u s ALA 101 CO -0.08 -0.86 0.31 0.21 0.00 0.00 0.00 175.76 175.34 3i7u s LYS 102 N 2.28 0.68 0.22 0.00 2.20 -0.51 -4.44 119.74 120.16 3i7u s LYS 102 Ca 0.04 -0.21 -0.29 0.00 -0.36 0.00 0.00 55.97 55.16 3i7u s LYS 102 Cb -0.14 0.30 -0.09 0.00 -1.51 0.00 0.00 37.83 36.40 3i7u s LYS 102 CO -0.08 -0.19 0.90 -0.06 -0.36 0.00 0.00 175.35 175.56 3i7u s PHE 103 N -1.39 3.96 -0.01 4.03 0.08 -1.26 -2.10 117.98 121.31 3i7u s PHE 103 Ca -0.13 1.84 0.01 0.00 0.12 0.00 0.00 56.93 58.77 3i7u s PHE 103 Cb -0.05 -2.93 -0.00 0.00 -0.57 0.00 0.00 43.02 39.47 3i7u s PHE 103 CO 0.04 0.47 -0.05 -0.06 -0.10 0.00 0.00 175.22 175.52 3i7u s PHE 104 N -1.14 0.42 0.45 0.36 0.08 -0.38 -4.93 117.98 112.84 3i7u s PHE 104 Ca 0.40 -0.08 -0.25 0.00 0.12 0.00 0.00 56.93 57.12 3i7u s PHE 104 Cb -0.25 -0.28 -0.08 0.00 -0.57 0.00 0.00 43.02 41.83 3i7u s PHE 104 CO 0.30 -0.02 1.44 -2.14 -0.10 0.00 0.00 175.22 174.71 3i7u s PRO 105 N -0.05 3.66 0.31 0.24 0.02 -1.26 -0.68 135.00 137.24 3i7u s PRO 105 Ca 0.01 2.44 0.06 0.00 0.02 0.00 0.00 61.00 63.53 3i7u s PRO 105 Cb -0.02 -2.65 0.85 0.00 0.02 0.00 0.00 34.50 32.69 3i7u s PRO 105 CO -0.00 -0.85 1.62 0.82 -0.33 0.00 0.00 177.00 178.26 3i7u h ILE 106 N 2.29 0.19 -0.65 2.83 2.04 -1.72 0.41 117.51 122.89 3i7u h ILE 106 Ca -0.51 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.36 3i7u h ILE 106 Cb 1.27 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 3i7u h ILE 106 CO 0.61 0.02 0.36 0.50 0.00 0.00 0.00 178.15 179.64 3i7u h LYS 107 N 0.13 0.64 -0.27 2.37 1.63 -1.88 -2.11 116.57 117.08 3i7u h LYS 107 Ca 0.62 -0.04 -0.18 0.00 -0.85 0.00 0.00 60.65 60.21 3i7u h LYS 107 Cb 1.35 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 3i7u h LYS 107 CO -0.74 0.43 -0.52 1.49 -3.45 0.00 0.00 179.45 176.65 3i7u h GLU 108 N 0.66 0.83 -0.63 1.90 4.81 -0.61 -3.29 114.58 118.26 3i7u h GLU 108 Ca 0.29 -0.53 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 3i7u h GLU 108 Cb 0.18 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3i7u h GLU 108 CO -0.18 1.17 0.37 0.00 -0.73 0.00 0.00 179.01 179.63 3i7u h ALA 109 N 0.66 0.81 -0.91 2.92 0.00 -0.72 -3.08 119.26 118.94 3i7u h ALA 109 Ca 0.01 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.04 3i7u h ALA 109 Cb 1.13 -0.25 -0.12 0.00 0.00 0.00 0.00 17.79 18.55 3i7u h ALA 109 CO 0.12 0.30 0.45 0.87 0.00 0.00 0.00 179.25 180.98 3i7u h LYS 110 N 0.86 0.49 0.01 0.00 1.57 -1.45 -2.15 116.57 115.89 3i7u h LYS 110 Ca 0.23 -0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.74 3i7u h LYS 110 Cb -0.00 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.21 3i7u h LYS 110 CO -0.04 0.32 -0.99 0.87 -0.57 0.00 0.00 179.45 179.04 3i7u h LYS 111 N 0.50 0.50 -0.60 3.15 1.57 -1.69 -3.32 116.57 116.68 3i7u h LYS 111 Ca 0.55 -0.55 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3i7u h LYS 111 Cb 0.98 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 3i7u h LYS 111 CO -0.47 1.18 0.31 -0.07 -0.57 0.00 0.00 179.45 179.83 3i7u h LEU 112 N 0.28 0.75 -9.83 2.94 3.38 -1.35 -3.44 115.31 108.04 3i7u h LEU 112 Ca -0.10 -0.07 -0.55 0.00 0.09 0.00 0.00 57.88 57.25 3i7u h LEU 112 Cb 1.63 -0.19 0.11 0.00 0.09 0.00 0.00 40.66 42.30 3i7u h LEU 112 CO 0.18 0.63 0.68 0.18 0.09 0.00 0.00 178.44 180.20 3i7u n LEU 113 N -4.37 4.19 -0.00 1.67 4.77 -1.10 -4.50 117.00 117.65 3i7u n LEU 113 Ca 0.06 1.21 -0.01 0.00 -0.03 0.00 0.00 56.01 57.23 3i7u n LEU 113 Cb 0.12 -1.56 -0.00 0.00 -2.33 0.00 0.00 43.42 39.65 3i7u n LEU 113 CO 0.38 -0.11 -0.08 0.29 -1.33 0.00 0.00 177.39 176.54 3i7u n LYS 114 N 0.80 0.06 -1.67 3.23 5.02 -1.26 -4.98 118.16 119.37 3i7u n LYS 114 Ca 0.04 0.02 -0.50 0.00 -2.02 0.00 0.00 58.31 55.86 3i7u n LYS 114 Cb 0.37 -0.41 -0.05 0.00 -0.02 0.00 0.00 35.03 34.92 3i7u n LYS 114 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i7u n TYR 115 N -2.85 2.12 -0.05 2.13 4.01 -1.26 -4.82 117.16 116.44 3i7u n TYR 115 Ca -0.02 0.29 0.23 0.00 -0.16 0.00 0.00 57.90 58.24 3i7u n TYR 115 Cb 0.06 -2.53 0.70 0.00 -0.31 0.00 0.00 39.34 37.26 3i7u n TYR 115 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3i7u h LYS 116 N 7.00 0.00 -0.17 -0.72 1.79 -1.99 -0.37 116.57 122.11 3i7u h LYS 116 Ca -0.47 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.00 3i7u h LYS 116 Cb 1.29 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 3i7u h LYS 116 CO 0.90 0.00 0.09 0.78 -1.08 0.00 0.00 179.45 180.14 3i7u h GLY 117 N 0.00 0.26 1.17 3.86 0.00 -2.00 -0.69 103.07 105.67 3i7u h GLY 117 Ca 0.30 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.43 3i7u h GLY 117 CO -0.00 0.12 0.07 -0.55 0.00 0.00 0.00 176.54 176.17 3i7u h ASP 118 N 0.17 0.97 -0.28 0.19 3.32 -1.45 -2.08 116.42 117.26 3i7u h ASP 118 Ca 0.06 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 3i7u h ASP 118 Cb 0.09 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3i7u h ASP 118 CO -0.01 0.99 -0.08 0.11 -1.72 0.00 0.00 179.24 178.53 3i7u h LYS 119 N 0.94 0.67 -0.40 3.56 1.57 -1.17 0.10 116.57 121.84 3i7u h LYS 119 Ca 0.18 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 3i7u h LYS 119 Cb 0.45 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3i7u h LYS 119 CO 0.02 0.74 -0.09 0.93 -0.57 0.00 0.00 179.45 180.48 3i7u h GLU 120 N 0.62 0.77 -0.42 3.15 5.08 -0.89 -1.25 114.58 121.63 3i7u h GLU 120 Ca 0.11 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3i7u h GLU 120 Cb 0.50 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3i7u h GLU 120 CO 0.03 0.90 0.23 0.82 -1.00 0.00 0.00 179.01 179.99 3i7u h ILE 121 N 0.58 1.15 -0.47 3.13 1.08 -1.01 -0.99 117.51 120.99 3i7u h ILE 121 Ca 0.10 -0.39 -0.00 0.00 -0.39 0.00 0.00 64.86 64.18 3i7u h ILE 121 Cb 0.61 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 3i7u h ILE 121 CO 0.04 0.16 0.28 0.15 -0.69 0.00 0.00 178.15 178.08 3i7u h PHE 122 N 0.55 0.63 0.15 1.37 3.57 -0.86 0.27 116.94 122.62 3i7u h PHE 122 Ca 0.15 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.65 3i7u h PHE 122 Cb 0.05 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 3i7u h PHE 122 CO -0.02 0.45 -0.20 1.49 -2.23 0.00 0.00 178.31 177.79 3i7u h GLU 123 N 0.63 -0.39 -0.38 1.11 4.81 -0.95 0.85 114.58 120.26 3i7u h GLU 123 Ca 0.17 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.48 3i7u h GLU 123 Cb 0.01 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 3i7u h GLU 123 CO -0.03 -0.26 0.09 0.87 -0.73 0.00 0.00 179.01 178.95 3i7u h LYS 124 N -0.41 0.22 -0.51 1.92 1.57 -0.91 -2.37 116.57 116.08 3i7u h LYS 124 Ca 0.02 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.87 3i7u h LYS 124 Cb 0.41 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.60 3i7u h LYS 124 CO -0.09 0.15 0.13 0.00 -0.57 0.00 0.00 179.45 179.07 3i7u h ALA 125 N 1.27 0.60 -0.66 3.86 0.00 0.14 -1.40 119.26 123.08 3i7u h ALA 125 Ca 0.18 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.21 3i7u h ALA 125 Cb 0.19 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3i7u h ALA 125 CO -0.22 -0.28 0.42 -0.07 0.00 0.00 0.00 179.25 179.10 3i7u h LEU 126 N 0.28 0.70 -0.10 0.00 3.38 -0.36 0.17 115.31 119.38 3i7u h LEU 126 Ca 0.26 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3i7u h LEU 126 Cb 0.33 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3i7u h LEU 126 CO -0.31 0.49 0.06 0.11 0.09 0.00 0.00 178.44 178.89 3i7u h LYS 127 N 0.84 0.13 -0.41 1.13 1.57 -0.95 -2.23 116.57 116.64 3i7u h LYS 127 Ca 0.26 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 3i7u h LYS 127 Cb -0.02 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3i7u h LYS 127 CO -0.09 0.09 0.05 -0.07 -0.57 0.00 0.00 179.45 178.87 3i7u h LEU 128 N 0.13 0.58 -1.63 2.94 3.38 -0.98 -2.11 115.31 117.63 3i7u h LEU 128 Ca 0.04 -0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.02 3i7u h LEU 128 Cb -0.01 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3i7u h LEU 128 CO -0.01 0.61 0.43 0.50 0.09 0.00 0.00 178.44 180.07 3i7u h LYS 129 N 0.60 0.39 0.71 1.13 3.64 -0.07 -2.90 116.57 120.06 3i7u h LYS 129 Ca 0.13 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3i7u h LYS 129 Cb 0.30 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3i7u h LYS 129 CO 0.00 0.26 -0.34 0.93 -2.27 0.00 0.00 179.45 178.03 3i7u h GLU 130 N 0.40 -0.91 -0.18 1.90 5.08 -1.05 -0.47 114.58 119.35 3i7u h GLU 130 Ca 0.30 0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.78 3i7u h GLU 130 Cb 0.64 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3i7u h GLU 130 CO -0.08 -0.61 0.47 1.57 -1.00 0.00 0.00 179.01 179.36 3i7u h LYS 131 N -0.96 0.00 0.00 2.33 2.10 -1.59 -0.22 116.57 118.24 3i7u h LYS 131 Ca -0.10 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.30 3i7u h LYS 131 Cb 0.73 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.01 3i7u h LYS 131 CO 0.16 0.00 -1.93 1.19 -2.00 0.00 0.00 179.45 176.87 3i7u n PHE 132 N -3.13 0.47 -0.69 0.07 3.01 -1.10 -5.16 117.46 110.93 3i7u n PHE 132 Ca 0.02 0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.65 3i7u n PHE 132 Cb 0.57 -1.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.04 3i7u n PHE 132 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40