#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rk7 n THR 2 N 0.00 3.99 -3.02 0.00 -1.04 -1.20 -4.85 114.28 108.16 1rk7 n THR 2 Ca 0.00 -4.16 -0.44 0.00 -2.04 0.00 0.00 64.05 57.40 1rk7 n THR 2 Cb 0.00 -2.40 -0.04 0.00 -1.82 0.00 0.00 70.33 66.07 1rk7 n THR 2 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1rk7 s LYS 3 N 3.36 3.07 0.33 -2.82 2.20 -1.23 -2.74 119.74 121.91 1rk7 s LYS 3 Ca 0.50 -1.15 -0.16 0.00 -0.36 0.00 0.00 55.97 54.80 1rk7 s LYS 3 Cb 0.04 -4.26 -0.09 0.00 -1.51 0.00 0.00 37.83 32.01 1rk7 s LYS 3 CO 0.04 -1.64 0.75 0.00 -0.36 0.00 0.00 175.35 174.15 1rk7 s ALA 4 N 3.17 3.30 0.14 3.13 0.00 0.37 -1.88 121.76 130.00 1rk7 s ALA 4 Ca 0.15 0.07 0.11 0.00 0.00 0.00 0.00 51.96 52.29 1rk7 s ALA 4 Cb -0.22 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 1rk7 s ALA 4 CO 0.08 0.31 -0.24 0.08 0.00 0.00 0.00 175.76 175.99 1rk7 s VAL 5 N -2.00 2.45 -0.43 0.00 1.01 -0.54 0.66 120.40 121.55 1rk7 s VAL 5 Ca 0.55 -1.77 0.06 0.00 0.00 0.00 0.00 61.98 60.82 1rk7 s VAL 5 Cb -0.10 -2.12 0.18 0.00 0.00 0.00 0.00 36.38 34.33 1rk7 s VAL 5 CO 0.17 0.03 0.57 0.00 0.00 0.00 0.00 175.10 175.87 1rk7 s ALA 6 N -1.26 -1.54 -0.53 5.51 0.00 0.24 0.10 121.76 124.29 1rk7 s ALA 6 Ca 0.17 -0.45 -0.26 0.00 0.00 0.00 0.00 51.96 51.42 1rk7 s ALA 6 Cb -0.10 -2.48 0.03 0.00 0.00 0.00 0.00 23.12 20.58 1rk7 s ALA 6 CO 0.08 -2.19 1.00 0.54 0.00 0.00 0.00 175.76 175.19 1rk7 s VAL 7 N 1.36 4.32 0.19 0.00 0.11 -1.25 -0.30 120.40 124.83 1rk7 s VAL 7 Ca 0.21 0.61 -0.33 0.00 -2.93 0.00 0.00 61.98 59.54 1rk7 s VAL 7 Cb -0.05 -4.55 -0.13 0.00 -1.53 0.00 0.00 36.38 30.11 1rk7 s VAL 7 CO -0.06 -1.07 1.58 0.18 -3.33 0.00 0.00 175.10 172.40 1rk7 n LEU 8 N 7.61 3.33 -3.64 2.54 7.99 0.57 -4.14 117.00 131.26 1rk7 n LEU 8 Ca 0.05 1.09 -0.09 0.00 -0.01 0.00 0.00 56.01 57.06 1rk7 n LEU 8 Cb 0.48 -1.46 -0.07 0.00 -0.11 0.00 0.00 43.42 42.25 1rk7 n LEU 8 CO 0.66 -0.21 0.33 -0.75 -1.51 0.00 0.00 177.39 175.92 1rk7 s LYS 9 N 0.68 0.70 0.00 3.23 2.20 -1.24 -3.47 119.74 121.85 1rk7 s LYS 9 Ca 0.76 1.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.50 1rk7 s LYS 9 Cb -0.63 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 35.87 1rk7 s LYS 9 CO 0.39 -0.14 0.00 0.41 -0.36 0.00 0.00 175.35 175.65 1rk7 n GLY 10 N 3.97 -1.83 0.26 5.54 0.00 -1.26 -2.17 105.19 109.70 1rk7 n GLY 10 Ca -0.19 0.76 -0.07 0.00 0.00 0.00 0.00 46.02 46.52 1rk7 n GLY 10 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rk7 n ASP 11 N 0.00 -0.67 0.00 1.61 2.03 -0.22 -4.88 116.55 114.42 1rk7 n ASP 11 Ca 0.00 1.41 0.00 0.00 0.52 0.00 0.00 54.79 56.72 1rk7 n ASP 11 Cb 0.00 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 1rk7 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rk7 n GLY 12 N -1.16 0.93 0.19 0.27 0.00 -1.26 -4.96 105.19 99.21 1rk7 n GLY 12 Ca 0.01 0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 1rk7 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rk7 h PRO 13 N 0.00 0.63 -5.66 1.61 0.13 -1.89 -3.41 132.00 123.41 1rk7 h PRO 13 Ca 0.00 -0.62 -0.30 0.00 -0.87 0.00 0.00 66.00 64.21 1rk7 h PRO 13 Cb 0.00 0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.27 1rk7 h PRO 13 CO 0.00 1.22 0.89 0.08 -0.23 0.00 0.00 178.00 179.96 1rk7 s VAL 14 N -3.46 3.21 -0.28 1.56 1.01 -1.18 -4.03 120.40 117.24 1rk7 s VAL 14 Ca -0.09 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 61.91 1rk7 s VAL 14 Cb 0.08 -3.51 0.45 0.00 0.00 0.00 0.00 36.38 33.40 1rk7 s VAL 14 CO 0.90 -0.49 1.21 0.00 0.00 0.00 0.00 175.10 176.72 1rk7 n GLN 15 N 8.96 3.15 -0.77 2.72 6.02 0.14 -3.65 117.38 133.94 1rk7 n GLN 15 Ca 0.37 -3.96 -0.33 0.00 -0.01 0.00 0.00 57.00 53.07 1rk7 n GLN 15 Cb 0.49 -2.14 0.13 0.00 1.02 0.00 0.00 30.24 29.74 1rk7 n GLN 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rk7 n GLY 16 N -0.81 -2.10 2.63 1.08 0.00 -1.23 -4.53 105.19 100.24 1rk7 n GLY 16 Ca 0.39 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 1rk7 n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rk7 s ILE 17 N -2.37 -0.20 0.28 -0.61 1.01 0.15 0.21 121.20 119.67 1rk7 s ILE 17 Ca 0.57 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 60.68 1rk7 s ILE 17 Cb -0.19 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1rk7 s ILE 17 CO 0.67 -0.60 0.16 -0.51 0.00 0.00 0.00 174.94 174.66 1rk7 s ILE 18 N 2.20 3.91 0.09 2.92 2.07 0.60 -1.73 121.20 131.26 1rk7 s ILE 18 Ca 0.09 -1.56 -0.16 0.00 -1.41 0.00 0.00 60.65 57.61 1rk7 s ILE 18 Cb -0.15 -3.19 0.03 0.00 0.13 0.00 0.00 42.46 39.28 1rk7 s ILE 18 CO -0.33 -0.31 0.39 0.20 -1.91 0.00 0.00 174.94 172.97 1rk7 s ASN 19 N -3.82 -0.23 -0.25 4.50 0.01 0.19 0.81 114.94 116.15 1rk7 s ASN 19 Ca 0.34 -0.21 -0.01 0.00 -0.71 0.00 0.00 52.86 52.28 1rk7 s ASN 19 Cb -0.07 0.44 0.07 0.00 0.41 0.00 0.00 41.25 42.11 1rk7 s ASN 19 CO 0.24 -0.76 0.02 -0.36 -1.51 0.00 0.00 177.10 174.72 1rk7 s PHE 20 N -3.24 1.85 0.10 2.20 0.40 0.21 -1.47 117.98 118.03 1rk7 s PHE 20 Ca -0.00 -1.52 -0.04 0.00 -0.60 0.00 0.00 56.93 54.76 1rk7 s PHE 20 Cb 0.01 -1.50 -0.05 0.00 0.51 0.00 0.00 43.02 41.99 1rk7 s PHE 20 CO -0.08 -0.75 0.32 -2.00 0.70 0.00 0.00 175.22 173.41 1rk7 s GLU 21 N 1.58 3.58 -0.42 0.44 2.12 -0.50 0.14 118.70 125.64 1rk7 s GLU 21 Ca 0.00 -0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.22 1rk7 s GLU 21 Cb -0.18 -2.93 0.17 0.00 0.26 0.00 0.00 34.13 31.45 1rk7 s GLU 21 CO -0.12 0.53 0.43 -1.14 -0.54 0.00 0.00 175.26 174.43 1rk7 s GLN 22 N -2.45 0.86 -0.80 4.30 0.74 -1.11 0.12 119.66 121.33 1rk7 s GLN 22 Ca 0.37 -1.53 -0.07 0.00 0.05 0.00 0.00 55.36 54.18 1rk7 s GLN 22 Cb -0.13 -0.92 -0.13 0.00 1.10 0.00 0.00 33.01 32.92 1rk7 s GLN 22 CO 0.24 -1.32 2.81 1.63 -0.55 0.00 0.00 175.29 178.10 1rk7 n LYS 23 N 3.26 2.49 0.00 1.67 5.02 -1.26 0.17 118.16 129.52 1rk7 n LYS 23 Ca 0.22 -1.47 0.00 0.00 -2.02 0.00 0.00 58.31 55.04 1rk7 n LYS 23 Cb 0.49 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.14 1rk7 n LYS 23 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1rk7 n GLU 24 N 3.32 0.00 -0.90 1.97 -0.58 -1.26 -4.79 120.64 118.40 1rk7 n GLU 24 Ca 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 1rk7 n GLU 24 Cb 0.42 -0.05 0.00 0.00 -0.57 0.00 0.00 31.44 31.24 1rk7 n GLU 24 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1rk7 n SER 25 N -1.94 -0.66 -1.01 1.62 7.64 -1.14 -4.57 113.62 113.57 1rk7 n SER 25 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1rk7 n SER 25 Cb 0.00 -0.73 -0.02 0.00 -1.01 0.00 0.00 64.21 62.45 1rk7 n SER 25 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1rk7 n ASN 26 N -0.04 -0.65 0.00 6.43 5.15 -1.26 -5.11 115.26 119.77 1rk7 n ASN 26 Ca 0.00 -1.29 0.00 0.00 -0.60 0.00 0.00 54.58 52.69 1rk7 n ASN 26 Cb 0.02 0.22 0.00 0.00 -0.53 0.00 0.00 39.78 39.49 1rk7 n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rk7 n GLY 27 N -0.14 5.50 3.82 8.20 0.00 -1.26 -5.15 105.19 116.14 1rk7 n GLY 27 Ca -0.16 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 1rk7 n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rk7 s PRO 28 N 3.79 3.12 -0.22 1.61 0.04 -1.26 -4.80 135.00 137.29 1rk7 s PRO 28 Ca 0.00 1.04 0.02 0.00 0.04 0.00 0.00 61.00 62.10 1rk7 s PRO 28 Cb 0.00 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.57 1rk7 s PRO 28 CO 0.00 -0.96 -0.14 0.08 0.04 0.00 0.00 177.00 176.02 1rk7 s VAL 29 N -2.82 2.05 -0.77 -0.36 1.01 0.04 -4.49 120.40 115.05 1rk7 s VAL 29 Ca 0.60 -1.28 -0.26 0.00 0.00 0.00 0.00 61.98 61.04 1rk7 s VAL 29 Cb -0.14 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1rk7 s VAL 29 CO 0.48 0.22 1.53 -0.54 0.00 0.00 0.00 175.10 176.79 1rk7 s LYS 30 N 1.22 3.05 0.11 2.72 1.02 0.33 -3.60 119.74 124.57 1rk7 s LYS 30 Ca -0.02 -0.17 -0.17 0.00 0.02 0.00 0.00 55.97 55.62 1rk7 s LYS 30 Cb -0.17 -4.53 -0.07 0.00 -0.52 0.00 0.00 37.83 32.55 1rk7 s LYS 30 CO -0.09 -2.44 0.56 0.08 -0.92 0.00 0.00 175.35 172.54 1rk7 s VAL 31 N 6.92 4.80 -0.06 3.17 1.01 0.31 -1.40 120.40 135.14 1rk7 s VAL 31 Ca 0.49 1.03 -0.29 0.00 0.00 0.00 0.00 61.98 63.21 1rk7 s VAL 31 Cb -0.08 -3.82 0.11 0.00 0.00 0.00 0.00 36.38 32.60 1rk7 s VAL 31 CO 0.11 0.41 0.92 -1.66 0.00 0.00 0.00 175.10 174.88 1rk7 s TRP 32 N -1.27 -0.36 0.04 5.22 -2.14 -0.54 -1.02 118.94 118.86 1rk7 s TRP 32 Ca 0.33 0.38 -0.10 0.00 2.66 0.00 0.00 56.10 59.37 1rk7 s TRP 32 Cb -0.17 0.51 0.03 0.00 -3.10 0.00 0.00 33.47 30.74 1rk7 s TRP 32 CO 0.19 -0.48 0.46 0.41 -2.66 0.00 0.00 176.95 174.87 1rk7 n GLY 33 N 0.11 0.78 3.50 3.67 0.00 -1.19 0.55 105.19 112.60 1rk7 n GLY 33 Ca -0.09 -0.97 -0.04 0.00 0.00 0.00 0.00 46.02 44.91 1rk7 n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rk7 s SER 34 N -2.05 -0.80 0.65 1.61 0.01 -0.70 -1.74 113.70 110.68 1rk7 s SER 34 Ca 0.10 1.34 -0.08 0.00 1.31 0.00 0.00 55.95 58.63 1rk7 s SER 34 Cb -0.01 1.84 0.02 0.00 0.21 0.00 0.00 66.02 68.08 1rk7 s SER 34 CO 0.01 -0.22 0.99 -0.63 0.41 0.00 0.00 173.24 173.80 1rk7 s ILE 35 N 2.63 3.30 -0.27 1.44 1.01 0.38 0.35 121.20 130.04 1rk7 s ILE 35 Ca -0.05 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.68 1rk7 s ILE 35 Cb -0.11 -3.36 0.16 0.00 0.01 0.00 0.00 42.46 39.16 1rk7 s ILE 35 CO -0.17 -0.41 0.50 -0.54 0.00 0.00 0.00 174.94 174.32 1rk7 s LYS 36 N -5.17 0.47 0.00 2.79 1.02 -1.26 -3.44 119.74 114.14 1rk7 s LYS 36 Ca 0.56 0.78 0.00 0.00 0.02 0.00 0.00 55.97 57.33 1rk7 s LYS 36 Cb -0.11 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.28 1rk7 s LYS 36 CO 0.47 -0.64 0.00 0.41 -0.92 0.00 0.00 175.35 174.67 1rk7 n GLY 37 N 5.40 4.34 0.50 -3.33 0.00 -1.26 -0.69 105.19 110.15 1rk7 n GLY 37 Ca -0.02 -0.70 -0.03 0.00 0.00 0.00 0.00 46.02 45.26 1rk7 n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rk7 n LEU 38 N 0.00 0.00 -4.00 0.99 4.32 -1.26 -4.88 117.00 112.17 1rk7 n LEU 38 Ca 0.00 -0.09 -0.19 0.00 -0.02 0.00 0.00 56.01 55.71 1rk7 n LEU 38 Cb 0.00 -0.14 -0.15 0.00 -1.62 0.00 0.00 43.42 41.51 1rk7 n LEU 38 CO 0.00 -1.52 -0.43 0.42 -1.22 0.00 0.00 177.39 174.65 1rk7 s THR 39 N -0.86 0.68 -0.43 -5.08 -4.23 -1.26 -3.68 115.64 100.78 1rk7 s THR 39 Ca 0.07 -0.33 -0.40 0.00 -1.18 0.00 0.00 61.69 59.85 1rk7 s THR 39 Cb -0.01 -0.59 -0.17 0.00 1.34 0.00 0.00 72.50 73.07 1rk7 s THR 39 CO 0.06 0.20 1.52 -1.84 -0.54 0.00 0.00 174.62 174.03 1rk7 n GLU 40 N 3.09 0.00 -2.25 3.99 -0.00 -1.26 -4.39 120.64 119.82 1rk7 n GLU 40 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.00 1rk7 n GLU 40 Cb 0.56 -1.29 0.00 0.00 -0.00 0.00 0.00 31.44 30.71 1rk7 n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1rk7 n GLY 41 N 4.40 -0.94 3.75 -1.84 0.00 -1.26 -4.89 105.19 104.40 1rk7 n GLY 41 Ca 0.33 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 1rk7 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rk7 s LEU 42 N 0.00 4.55 0.28 0.99 1.43 -1.26 -0.27 118.68 124.40 1rk7 s LEU 42 Ca 0.00 2.17 0.02 0.00 -1.03 0.00 0.00 54.13 55.29 1rk7 s LEU 42 Cb 0.00 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 1rk7 s LEU 42 CO 0.00 -0.12 0.10 -1.00 0.23 0.00 0.00 176.35 175.55 1rk7 s HIS 43 N -0.87 1.61 0.37 0.29 3.76 -0.89 -3.29 115.29 116.26 1rk7 s HIS 43 Ca 0.45 -1.17 -0.10 0.00 -0.15 0.00 0.00 55.06 54.09 1rk7 s HIS 43 Cb -0.30 -0.95 -0.07 0.00 1.11 0.00 0.00 32.58 32.37 1rk7 s HIS 43 CO 0.38 -0.31 0.73 0.20 -0.85 0.00 0.00 174.74 174.89 1rk7 s GLY 44 N -3.35 2.00 -0.42 -2.22 0.00 -1.24 -2.12 107.32 99.97 1rk7 s GLY 44 Ca 0.37 -0.21 0.05 0.00 0.00 0.00 0.00 44.72 44.93 1rk7 s GLY 44 CO 0.14 -0.03 0.41 0.33 0.00 0.00 0.00 173.10 173.96 1rk7 n PHE 45 N -1.09 -1.27 -2.18 1.90 7.35 -1.26 -3.86 117.46 117.05 1rk7 n PHE 45 Ca 0.02 -3.07 -0.27 0.00 -0.76 0.00 0.00 57.45 53.37 1rk7 n PHE 45 Cb 0.54 0.37 0.14 0.00 0.35 0.00 0.00 39.48 40.88 1rk7 n PHE 45 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1rk7 s HIS 46 N 0.05 1.83 -0.38 -5.13 3.76 -0.96 -3.87 115.29 110.58 1rk7 s HIS 46 Ca 0.33 0.16 0.11 0.00 -0.15 0.00 0.00 55.06 55.51 1rk7 s HIS 46 Cb 0.05 -3.60 0.34 0.00 1.11 0.00 0.00 32.58 30.47 1rk7 s HIS 46 CO -0.17 -2.14 0.71 0.28 -0.85 0.00 0.00 174.74 172.56 1rk7 n VAL 47 N -3.33 -0.13 -1.30 -0.90 0.31 -1.26 -3.34 118.33 108.37 1rk7 n VAL 47 Ca 0.14 -4.55 -0.51 0.00 -0.01 0.00 0.00 64.34 59.41 1rk7 n VAL 47 Cb 0.60 -0.52 -0.07 0.00 -0.91 0.00 0.00 33.84 32.94 1rk7 n VAL 47 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1rk7 n HIS 48 N 0.41 0.76 -4.37 3.52 8.25 0.17 -4.69 115.22 119.27 1rk7 n HIS 48 Ca 0.25 0.90 -0.24 0.00 -0.26 0.00 0.00 57.72 58.37 1rk7 n HIS 48 Cb 0.63 -1.77 -0.17 0.00 1.12 0.00 0.00 29.99 29.81 1rk7 n HIS 48 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1rk7 s GLU 49 N 0.60 1.46 -0.14 -0.41 2.12 0.16 -3.21 118.70 119.27 1rk7 s GLU 49 Ca 0.78 -0.31 -0.10 0.00 0.36 0.00 0.00 54.97 55.70 1rk7 s GLU 49 Cb -1.10 -1.29 0.04 0.00 0.26 0.00 0.00 34.13 32.04 1rk7 s GLU 49 CO 0.52 -0.05 0.36 -2.00 -0.54 0.00 0.00 175.26 173.56 1rk7 s GLU 50 N 0.90 0.38 0.57 4.30 2.12 -1.26 -3.32 118.70 122.38 1rk7 s GLU 50 Ca -0.11 0.60 0.42 0.00 0.36 0.00 0.00 54.97 56.24 1rk7 s GLU 50 Cb -0.15 0.08 1.51 0.00 0.26 0.00 0.00 34.13 35.84 1rk7 s GLU 50 CO 0.01 -0.10 1.57 1.49 -0.54 0.00 0.00 175.26 177.69 1rk7 h GLU 51 N 6.31 0.00 -3.62 4.30 4.81 -2.00 -3.35 114.58 121.02 1rk7 h GLU 51 Ca -0.32 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.65 1rk7 h GLU 51 Cb 1.18 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 30.26 1rk7 h GLU 51 CO 0.30 0.00 -0.71 -0.51 -0.73 0.00 0.00 179.01 177.35 1rk7 s ASP 52 N -4.09 0.02 -0.94 1.04 1.11 -1.26 -5.06 116.67 107.50 1rk7 s ASP 52 Ca -0.04 0.04 0.00 0.00 0.18 0.00 0.00 52.55 52.72 1rk7 s ASP 52 Cb 0.23 -0.01 0.33 0.00 1.07 0.00 0.00 42.92 44.53 1rk7 s ASP 52 CO 0.77 -0.06 1.68 0.59 1.18 0.00 0.00 175.17 179.33 1rk7 n ASN 53 N 3.57 6.85 -3.78 0.27 4.13 -1.26 -4.92 115.26 120.12 1rk7 n ASN 53 Ca -0.19 -3.70 -0.26 0.00 1.68 0.00 0.00 54.58 52.12 1rk7 n ASN 53 Cb 0.56 -1.05 -0.17 0.00 -1.54 0.00 0.00 39.78 37.57 1rk7 n ASN 53 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1rk7 s THR 54 N -4.41 0.55 0.00 3.41 -1.32 -1.26 -4.86 115.64 107.75 1rk7 s THR 54 Ca 0.41 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 1rk7 s THR 54 Cb 0.22 -0.84 0.00 0.00 -1.51 0.00 0.00 72.50 70.37 1rk7 s THR 54 CO -0.15 0.08 0.00 0.00 -2.21 0.00 0.00 174.62 172.34 1rk7 n ALA 55 N 5.07 0.00 0.00 11.08 0.00 -1.26 -5.02 120.51 130.38 1rk7 n ALA 55 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1rk7 n ALA 55 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1rk7 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rk7 n GLY 56 N 0.00 3.25 0.00 0.00 0.00 -1.26 -4.94 105.19 102.24 1rk7 n GLY 56 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1rk7 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rk7 n THR 58 N 0.00 0.00 -2.97 0.00 -2.24 -1.26 -5.13 114.28 102.68 1rk7 n THR 58 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1rk7 n THR 58 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1rk7 n THR 58 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1rk7 s SER 59 N 1.00 -1.39 -0.08 3.42 1.04 -1.26 -5.04 113.70 111.39 1rk7 s SER 59 Ca 0.00 -1.15 -0.00 0.00 0.48 0.00 0.00 55.95 55.28 1rk7 s SER 59 Cb 0.00 1.79 -0.00 0.00 0.10 0.00 0.00 66.02 67.91 1rk7 s SER 59 CO 0.00 -0.10 0.00 0.00 0.98 0.00 0.00 173.24 174.12 1rk7 h ALA 60 N 5.92 -0.00 0.00 5.32 0.00 -2.01 -3.50 119.26 124.99 1rk7 h ALA 60 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1rk7 h ALA 60 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1rk7 h ALA 60 CO 0.04 -0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1rk7 n GLY 61 N 1.81 -1.68 3.59 0.00 0.00 -1.26 -5.09 105.19 102.56 1rk7 n GLY 61 Ca -0.00 0.55 -0.43 0.00 0.00 0.00 0.00 46.02 46.14 1rk7 n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rk7 s PRO 62 N -1.78 3.48 0.05 1.61 0.04 -1.26 -4.65 135.00 132.49 1rk7 s PRO 62 Ca 0.00 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1rk7 s PRO 62 Cb 0.00 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1rk7 s PRO 62 CO 0.00 -1.69 0.00 0.72 0.04 0.00 0.00 177.00 176.07 1rk7 n HIS 63 N 9.12 -0.38 -4.07 0.56 8.25 -1.21 -4.32 115.22 123.17 1rk7 n HIS 63 Ca 0.16 0.07 -0.07 0.00 -0.26 0.00 0.00 57.72 57.61 1rk7 n HIS 63 Cb 0.48 0.44 -0.01 0.00 1.12 0.00 0.00 29.99 32.02 1rk7 n HIS 63 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1rk7 n PHE 64 N -2.73 0.00 -3.90 4.41 3.72 -1.26 -0.66 117.46 117.04 1rk7 n PHE 64 Ca 0.00 -0.57 -0.35 0.00 -0.05 0.00 0.00 57.45 56.48 1rk7 n PHE 64 Cb 0.06 -0.08 -0.10 0.00 -0.94 0.00 0.00 39.48 38.42 1rk7 n PHE 64 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1rk7 s ASN 65 N -1.66 5.65 -1.13 4.37 0.01 -1.26 -4.97 114.94 115.95 1rk7 s ASN 65 Ca 0.01 0.04 -0.15 0.00 -0.71 0.00 0.00 52.86 52.06 1rk7 s ASN 65 Cb -0.00 -1.99 -0.07 0.00 0.41 0.00 0.00 41.25 39.61 1rk7 s ASN 65 CO 0.01 0.12 2.21 -0.81 -1.51 0.00 0.00 177.10 177.11 1rk7 n PRO 66 N 3.92 2.35 0.00 -0.60 -0.04 -1.26 -3.45 135.00 135.92 1rk7 n PRO 66 Ca -0.16 -2.05 0.00 0.00 -0.04 0.00 0.00 63.50 61.25 1rk7 n PRO 66 Cb 0.52 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 1rk7 n PRO 66 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1rk7 n LEU 67 N 5.85 0.00 0.00 1.53 0.00 -1.26 -5.10 117.00 118.02 1rk7 n LEU 67 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.55 1rk7 n LEU 67 Cb 0.32 0.03 0.00 0.00 0.00 0.00 0.00 43.42 43.77 1rk7 n LEU 67 CO 0.91 -0.35 0.00 -1.54 0.00 0.00 0.00 177.39 176.40 1rk7 n SER 68 N -2.20 0.00 -2.34 1.96 3.41 -1.22 -4.69 113.62 108.53 1rk7 n SER 68 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1rk7 n SER 68 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1rk7 n SER 68 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1rk7 n ARG 69 N 0.00 -2.83 -3.66 4.33 1.85 -1.26 -4.78 116.66 110.30 1rk7 n ARG 69 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.57 1rk7 n ARG 69 Cb 0.00 -4.15 -0.11 0.00 -1.05 0.00 0.00 32.46 27.15 1rk7 n ARG 69 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1rk7 s LYS 70 N -4.60 1.66 -1.64 2.89 2.20 -1.26 -4.61 119.74 114.37 1rk7 s LYS 70 Ca 0.00 -2.67 -0.21 0.00 -0.36 0.00 0.00 55.97 52.73 1rk7 s LYS 70 Cb 0.00 -2.43 0.21 0.00 -1.51 0.00 0.00 37.83 34.10 1rk7 s LYS 70 CO 0.00 -1.32 0.52 -2.39 -0.36 0.00 0.00 175.35 171.80 1rk7 n HIS 71 N 2.51 -1.17 0.00 4.03 1.44 -0.56 -4.21 115.22 117.26 1rk7 n HIS 71 Ca 0.23 0.60 0.00 0.00 -2.01 0.00 0.00 57.72 56.54 1rk7 n HIS 71 Cb 0.41 -1.70 0.00 0.00 0.12 0.00 0.00 29.99 28.81 1rk7 n HIS 71 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1rk7 n GLY 72 N -0.99 2.86 0.00 -1.39 0.00 -1.26 -4.26 105.19 100.16 1rk7 n GLY 72 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1rk7 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rk7 n GLY 73 N 0.00 -1.54 0.00 -0.02 0.00 -1.26 -4.79 105.19 97.58 1rk7 n GLY 73 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1rk7 n GLY 73 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rk7 n PRO 74 N 0.00 0.00 -1.22 1.61 -0.04 -1.26 -4.53 135.00 129.56 1rk7 n PRO 74 Ca 0.00 0.34 -0.07 0.00 -0.04 0.00 0.00 63.50 63.73 1rk7 n PRO 74 Cb 0.00 -0.97 0.13 0.00 -0.04 0.00 0.00 33.50 32.62 1rk7 n PRO 74 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1rk7 n LYS 75 N -1.52 2.47 -3.22 0.54 4.01 -1.26 -5.00 118.16 114.17 1rk7 n LYS 75 Ca 0.00 -3.68 -0.22 0.00 -0.51 0.00 0.00 58.31 53.90 1rk7 n LYS 75 Cb 0.00 -1.91 0.02 0.00 -0.51 0.00 0.00 35.03 32.63 1rk7 n LYS 75 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1rk7 n ASP 76 N -0.94 -6.51 0.00 4.39 8.00 -1.26 -4.91 116.55 115.31 1rk7 n ASP 76 Ca 0.30 0.25 0.00 0.00 0.71 0.00 0.00 54.79 56.05 1rk7 n ASP 76 Cb 0.81 -2.89 0.00 0.00 -0.02 0.00 0.00 41.12 39.02 1rk7 n ASP 76 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1rk7 n GLU 77 N 0.11 6.34 -1.72 -1.24 4.07 -1.26 -4.23 120.64 122.70 1rk7 n GLU 77 Ca -0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 1rk7 n GLU 77 Cb 0.54 -0.54 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1rk7 n GLU 77 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1rk7 n GLU 78 N -1.03 -4.93 -3.21 5.31 2.13 -1.26 -4.73 120.64 112.93 1rk7 n GLU 78 Ca 0.00 3.65 -0.17 0.00 0.66 0.00 0.00 57.16 61.31 1rk7 n GLU 78 Cb 0.00 -4.10 0.01 0.00 0.27 0.00 0.00 31.44 27.63 1rk7 n GLU 78 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1rk7 n ARG 79 N -0.65 -1.90 -0.17 5.31 1.74 -1.26 -4.49 116.66 115.23 1rk7 n ARG 79 Ca 0.00 1.60 0.08 0.00 -0.77 0.00 0.00 57.85 58.76 1rk7 n ARG 79 Cb 0.00 -4.27 0.18 0.00 -1.02 0.00 0.00 32.46 27.35 1rk7 n ARG 79 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1rk7 n HIS 80 N -0.96 0.46 0.00 -1.55 1.44 -1.26 -1.47 115.22 111.87 1rk7 n HIS 80 Ca -0.03 -0.33 0.00 0.00 -2.01 0.00 0.00 57.72 55.36 1rk7 n HIS 80 Cb 0.56 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.66 1rk7 n HIS 80 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1rk7 n VAL 81 N 1.01 0.00 0.09 0.61 0.31 -1.26 -4.11 118.33 114.97 1rk7 n VAL 81 Ca 0.15 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.35 1rk7 n VAL 81 Cb 0.48 -0.60 -0.07 0.00 -0.91 0.00 0.00 33.84 32.74 1rk7 n VAL 81 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1rk7 h GLY 82 N 0.00 -0.16 0.41 2.92 0.00 -1.93 -3.18 103.07 101.14 1rk7 h GLY 82 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1rk7 h GLY 82 CO 0.00 -0.07 -0.06 -0.55 0.00 0.00 0.00 176.54 175.86 1rk7 h ASP 83 N -0.17 -0.14 0.00 0.19 5.19 -1.71 -3.43 116.42 116.36 1rk7 h ASP 83 Ca -0.00 -0.42 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1rk7 h ASP 83 Cb 0.15 0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.70 1rk7 h ASP 83 CO -0.01 0.41 0.00 -0.11 -3.12 0.00 0.00 179.24 176.41 1rk7 n LEU 84 N -4.90 0.00 0.00 1.55 7.94 -0.55 -4.84 117.00 116.20 1rk7 n LEU 84 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 1rk7 n LEU 84 Cb 0.27 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.22 1rk7 n LEU 84 CO 0.29 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.18 1rk7 n GLY 85 N -2.00 0.12 3.44 -3.96 0.00 -0.66 -4.80 105.19 97.32 1rk7 n GLY 85 Ca 0.00 -1.26 -0.23 0.00 0.00 0.00 0.00 46.02 44.52 1rk7 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rk7 s ASN 86 N -4.00 3.35 0.00 1.61 4.22 -1.26 -4.55 114.94 114.30 1rk7 s ASN 86 Ca 0.00 -1.00 0.00 0.00 -2.14 0.00 0.00 52.86 49.72 1rk7 s ASN 86 Cb 0.00 -0.26 0.00 0.00 1.28 0.00 0.00 41.25 42.27 1rk7 s ASN 86 CO 0.00 0.01 0.00 1.33 -2.04 0.00 0.00 177.10 176.40 1rk7 n VAL 87 N -0.44 0.00 -3.62 3.54 0.24 -0.90 -4.96 118.33 112.19 1rk7 n VAL 87 Ca -0.07 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.07 1rk7 n VAL 87 Cb 0.59 -0.31 -0.07 0.00 -1.47 0.00 0.00 33.84 32.58 1rk7 n VAL 87 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1rk7 s THR 88 N 0.11 0.02 0.80 3.34 2.01 -1.26 -2.10 115.64 118.56 1rk7 s THR 88 Ca 0.00 -0.15 -0.08 0.00 0.31 0.00 0.00 61.69 61.78 1rk7 s THR 88 Cb 0.00 -0.85 0.13 0.00 0.01 0.00 0.00 72.50 71.79 1rk7 s THR 88 CO 0.00 -0.08 1.11 0.00 -0.69 0.00 0.00 174.62 174.96 1rk7 s ALA 89 N -0.99 3.04 0.00 7.40 0.00 0.63 -4.56 121.76 127.28 1rk7 s ALA 89 Ca -0.10 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1rk7 s ALA 89 Cb -0.02 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.65 1rk7 s ALA 89 CO 0.07 -1.75 0.00 -3.47 0.00 0.00 0.00 175.76 170.61 1rk7 n ASP 90 N -3.18 0.00 -0.04 0.00 2.03 0.62 -4.42 116.55 111.56 1rk7 n ASP 90 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1rk7 n ASP 90 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1rk7 n ASP 90 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1rk7 n LYS 91 N 0.00 0.21 -0.78 -0.67 5.02 -1.26 -4.74 118.16 115.94 1rk7 n LYS 91 Ca 0.00 -0.62 -0.02 0.00 -2.02 0.00 0.00 58.31 55.65 1rk7 n LYS 91 Cb 0.00 -0.54 -0.02 0.00 -0.02 0.00 0.00 35.03 34.45 1rk7 n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1rk7 n ASP 92 N -0.04 -0.22 0.00 4.39 9.92 -1.26 -4.69 116.55 124.64 1rk7 n ASP 92 Ca 0.00 -1.58 0.00 0.00 -0.53 0.00 0.00 54.79 52.68 1rk7 n ASP 92 Cb 0.50 0.04 0.00 0.00 -0.64 0.00 0.00 41.12 41.02 1rk7 n ASP 92 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1rk7 n GLY 93 N 0.05 2.57 3.47 0.44 0.00 -1.24 -4.51 105.19 105.98 1rk7 n GLY 93 Ca -0.09 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 1rk7 n GLY 93 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rk7 n VAL 94 N 0.00 -0.00 -3.54 1.61 0.31 -1.26 -4.13 118.33 111.32 1rk7 n VAL 94 Ca 0.00 -0.04 -0.40 0.00 -0.01 0.00 0.00 64.34 63.89 1rk7 n VAL 94 Cb 0.00 -0.62 -0.11 0.00 -0.91 0.00 0.00 33.84 32.21 1rk7 n VAL 94 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rk7 s ALA 95 N 8.81 3.50 0.08 3.52 0.00 -1.22 -0.28 121.76 136.17 1rk7 s ALA 95 Ca 1.32 -1.35 0.04 0.00 0.00 0.00 0.00 51.96 51.98 1rk7 s ALA 95 Cb -1.23 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.21 1rk7 s ALA 95 CO 0.50 -0.92 0.02 0.16 0.00 0.00 0.00 175.76 175.53 1rk7 s ASP 96 N 1.72 5.19 0.30 0.00 -4.77 -1.26 0.15 116.67 118.00 1rk7 s ASP 96 Ca 0.06 -0.12 0.07 0.00 -3.30 0.00 0.00 52.55 49.26 1rk7 s ASP 96 Cb -0.17 -1.29 -0.06 0.00 -1.09 0.00 0.00 42.92 40.31 1rk7 s ASP 96 CO 0.10 0.18 -0.05 -0.69 0.70 0.00 0.00 175.17 175.42 1rk7 s VAL 97 N -1.33 1.69 -0.31 2.11 1.01 -0.71 -4.91 120.40 117.94 1rk7 s VAL 97 Ca 0.27 -2.11 -0.10 0.00 0.00 0.00 0.00 61.98 60.03 1rk7 s VAL 97 Cb -0.12 -2.55 0.19 0.00 0.00 0.00 0.00 36.38 33.90 1rk7 s VAL 97 CO 0.19 -0.24 1.05 -0.94 0.00 0.00 0.00 175.10 175.17 1rk7 s SER 98 N -3.49 -0.35 0.08 3.32 1.04 -1.24 -3.16 113.70 109.91 1rk7 s SER 98 Ca 0.31 -0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.68 1rk7 s SER 98 Cb 0.04 0.73 -0.03 0.00 0.10 0.00 0.00 66.02 66.86 1rk7 s SER 98 CO 0.13 -0.05 -0.09 -0.63 0.98 0.00 0.00 173.24 173.58 1rk7 s ILE 99 N 2.34 0.78 -0.41 -1.02 1.01 -0.19 -5.00 121.20 118.70 1rk7 s ILE 99 Ca 0.20 -1.46 0.01 0.00 0.00 0.00 0.00 60.65 59.40 1rk7 s ILE 99 Cb 0.01 -1.12 0.14 0.00 0.01 0.00 0.00 42.46 41.50 1rk7 s ILE 99 CO -0.18 -0.52 0.23 -0.70 0.00 0.00 0.00 174.94 173.77 1rk7 s GLU 100 N -2.44 1.07 0.32 2.79 2.12 -1.26 -0.53 118.70 120.77 1rk7 s GLU 100 Ca 0.00 -1.80 0.01 0.00 0.36 0.00 0.00 54.97 53.55 1rk7 s GLU 100 Cb -0.05 -2.04 -0.03 0.00 0.26 0.00 0.00 34.13 32.27 1rk7 s GLU 100 CO -0.00 -1.17 0.51 -0.51 -0.54 0.00 0.00 175.26 173.54 1rk7 s ASP 101 N 0.58 6.30 -0.00 -1.70 1.01 -1.24 -4.88 116.67 116.75 1rk7 s ASP 101 Ca 0.18 0.37 0.00 0.00 0.71 0.00 0.00 52.55 53.81 1rk7 s ASP 101 Cb -0.24 -1.99 0.01 0.00 1.01 0.00 0.00 42.92 41.70 1rk7 s ASP 101 CO 0.00 -0.24 0.67 -1.54 0.21 0.00 0.00 175.17 174.27 1rk7 n SER 102 N -1.68 0.17 -0.10 0.27 3.41 -1.26 -0.78 113.62 113.64 1rk7 n SER 102 Ca -0.06 -1.37 -0.21 0.00 -0.26 0.00 0.00 58.87 56.98 1rk7 n SER 102 Cb 0.56 -0.06 -0.12 0.00 -0.26 0.00 0.00 64.21 64.33 1rk7 n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1rk7 n VAL 103 N -0.06 1.56 -1.49 -3.33 0.31 -1.26 -4.76 118.33 109.30 1rk7 n VAL 103 Ca 0.00 -0.53 -0.21 0.00 -0.01 0.00 0.00 64.34 63.59 1rk7 n VAL 103 Cb 0.54 -1.58 0.15 0.00 -0.91 0.00 0.00 33.84 32.04 1rk7 n VAL 103 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1rk7 n ILE 104 N -3.51 0.00 -3.57 2.52 -0.00 -1.26 -4.89 119.36 108.65 1rk7 n ILE 104 Ca -0.44 -0.62 -0.15 0.00 -0.00 0.00 0.00 62.75 61.55 1rk7 n ILE 104 Cb 0.97 -1.55 -0.06 0.00 -0.00 0.00 0.00 39.64 39.00 1rk7 n ILE 104 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 1rk7 s SER 105 N -4.27 -0.59 0.20 7.28 0.15 -1.26 -4.93 113.70 110.28 1rk7 s SER 105 Ca 0.53 0.82 -0.10 0.00 0.70 0.00 0.00 55.95 57.90 1rk7 s SER 105 Cb -0.02 0.72 0.14 0.00 -1.71 0.00 0.00 66.02 65.15 1rk7 s SER 105 CO 0.38 -0.43 1.81 -0.07 1.20 0.00 0.00 173.24 176.14 1rk7 h LEU 106 N 3.45 0.93 -5.88 3.45 -0.00 -1.94 1.38 115.31 116.71 1rk7 h LEU 106 Ca -0.26 -0.10 -0.23 0.00 -0.00 0.00 0.00 57.88 57.29 1rk7 h LEU 106 Cb 1.15 -0.24 -0.24 0.00 -0.00 0.00 0.00 40.66 41.34 1rk7 h LEU 106 CO 0.27 0.77 -0.59 -0.55 -0.00 0.00 0.00 178.44 178.34 1rk7 s SER 107 N -6.08 -0.40 0.00 -0.43 0.15 -1.26 -2.40 113.70 103.29 1rk7 s SER 107 Ca -0.13 -1.53 0.00 0.00 0.70 0.00 0.00 55.95 55.00 1rk7 s SER 107 Cb 0.15 1.27 0.00 0.00 -1.71 0.00 0.00 66.02 65.73 1rk7 s SER 107 CO 0.80 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.69 1rk7 n GLY 108 N 3.80 2.49 1.09 9.45 0.00 -1.26 -4.88 105.19 115.88 1rk7 n GLY 108 Ca 0.15 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1rk7 n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rk7 n ASP 109 N 0.00 3.23 0.00 1.61 -0.08 -1.26 -4.41 116.55 115.64 1rk7 n ASP 109 Ca 0.00 -1.96 0.00 0.00 -1.51 0.00 0.00 54.79 51.32 1rk7 n ASP 109 Cb 0.00 -0.30 0.00 0.00 2.34 0.00 0.00 41.12 43.16 1rk7 n ASP 109 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1rk7 n HIS 110 N 1.30 0.00 -2.96 -0.67 8.25 -1.26 -5.02 115.22 114.86 1rk7 n HIS 110 Ca 0.20 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.61 1rk7 n HIS 110 Cb 0.55 0.24 0.01 0.00 1.12 0.00 0.00 29.99 31.90 1rk7 n HIS 110 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1rk7 n SER 111 N -2.50 -7.34 -0.18 0.41 3.41 -0.02 -4.87 113.62 102.53 1rk7 n SER 111 Ca 0.00 0.84 0.13 0.00 -0.26 0.00 0.00 58.87 59.58 1rk7 n SER 111 Cb 0.19 -3.84 0.42 0.00 -0.26 0.00 0.00 64.21 60.72 1rk7 n SER 111 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1rk7 n ILE 112 N 0.66 0.00 -1.59 -1.33 -5.35 0.45 -4.86 119.36 107.34 1rk7 n ILE 112 Ca 0.01 -0.09 -0.46 0.00 -0.27 0.00 0.00 62.75 61.93 1rk7 n ILE 112 Cb 0.29 0.25 -0.05 0.00 -1.74 0.00 0.00 39.64 38.39 1rk7 n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1rk7 n ILE 113 N -0.84 0.41 0.00 7.28 2.08 -1.01 -2.39 119.36 124.89 1rk7 n ILE 113 Ca 0.12 -0.29 0.00 0.00 0.56 0.00 0.00 62.75 63.14 1rk7 n ILE 113 Cb 0.33 -2.13 0.00 0.00 -0.75 0.00 0.00 39.64 37.09 1rk7 n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1rk7 n GLY 114 N 5.51 0.93 2.75 7.39 0.00 -1.23 -4.98 105.19 115.56 1rk7 n GLY 114 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 1rk7 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rk7 n ARG 115 N 0.00 3.25 -1.71 1.61 1.74 -1.00 -4.72 116.66 115.81 1rk7 n ARG 115 Ca 0.00 -2.96 -0.18 0.00 -0.77 0.00 0.00 57.85 53.95 1rk7 n ARG 115 Cb 0.00 -3.10 -0.10 0.00 -1.02 0.00 0.00 32.46 28.23 1rk7 n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1rk7 s THR 116 N 1.93 3.15 -0.21 0.55 2.01 -1.20 -4.26 115.64 117.61 1rk7 s THR 116 Ca 0.46 -0.25 -0.29 0.00 0.31 0.00 0.00 61.69 61.92 1rk7 s THR 116 Cb 0.13 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.51 1rk7 s THR 116 CO -0.05 -0.27 1.36 -1.48 -0.69 0.00 0.00 174.62 173.49 1rk7 s LEU 117 N 15.70 4.04 -0.18 4.42 2.34 -1.26 -0.65 118.68 143.09 1rk7 s LEU 117 Ca 0.79 1.55 -0.01 0.00 0.06 0.00 0.00 54.13 56.52 1rk7 s LEU 117 Cb -0.04 -3.54 -0.00 0.00 -0.56 0.00 0.00 46.19 42.05 1rk7 s LEU 117 CO 0.17 -0.97 -0.11 -0.69 -1.06 0.00 0.00 176.35 173.69 1rk7 s VAL 118 N 4.12 2.89 0.37 1.48 1.01 -1.21 -4.13 120.40 124.93 1rk7 s VAL 118 Ca 0.59 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 1rk7 s VAL 118 Cb -0.21 -2.26 -0.10 0.00 0.00 0.00 0.00 36.38 33.80 1rk7 s VAL 118 CO 0.21 0.48 0.86 0.68 0.00 0.00 0.00 175.10 177.33 1rk7 s VAL 119 N 1.13 4.49 0.38 2.92 -7.23 -1.26 -2.27 120.40 118.55 1rk7 s VAL 119 Ca 0.01 1.30 -0.14 0.00 -1.81 0.00 0.00 61.98 61.34 1rk7 s VAL 119 Cb -0.14 -3.66 -0.08 0.00 0.56 0.00 0.00 36.38 33.06 1rk7 s VAL 119 CO -0.03 -0.20 0.79 -1.00 -0.31 0.00 0.00 175.10 174.35 1rk7 s HIS 120 N -2.02 3.41 -0.27 2.82 3.76 -1.25 -3.37 115.29 118.36 1rk7 s HIS 120 Ca 0.57 1.22 0.19 0.00 -0.15 0.00 0.00 55.06 56.89 1rk7 s HIS 120 Cb -0.11 -2.56 1.02 0.00 1.11 0.00 0.00 32.58 32.05 1rk7 s HIS 120 CO 0.16 -0.04 1.57 -1.91 -0.85 0.00 0.00 174.74 173.67 1rk7 n GLU 121 N -0.81 0.12 -3.85 1.40 2.13 -1.25 -4.36 120.64 114.02 1rk7 n GLU 121 Ca 0.04 0.62 -0.14 0.00 0.66 0.00 0.00 57.16 58.34 1rk7 n GLU 121 Cb 0.54 -1.92 -0.03 0.00 0.27 0.00 0.00 31.44 30.30 1rk7 n GLU 121 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1rk7 n LYS 122 N -2.16 0.71 -1.15 5.31 0.00 -1.26 -5.08 118.16 114.52 1rk7 n LYS 122 Ca -0.01 -2.63 -0.29 0.00 0.00 0.00 0.00 58.31 55.37 1rk7 n LYS 122 Cb 0.05 2.58 0.16 0.00 0.00 0.00 0.00 35.03 37.82 1rk7 n LYS 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1rk7 s ALA 123 N -2.67 1.23 0.00 3.14 0.00 -1.21 -3.61 121.76 118.64 1rk7 s ALA 123 Ca 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1rk7 s ALA 123 Cb -0.01 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1rk7 s ALA 123 CO 0.19 -2.61 0.00 -0.40 0.00 0.00 0.00 175.76 172.94 1rk7 n ASP 124 N -4.05 0.00 0.00 0.00 5.75 -1.26 -4.71 116.55 112.28 1rk7 n ASP 124 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.84 1rk7 n ASP 124 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1rk7 n ASP 124 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1rk7 n ASP 125 N -0.00 0.00 -1.61 -1.12 2.03 -1.26 -4.30 116.55 110.29 1rk7 n ASP 125 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 1rk7 n ASP 125 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1rk7 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1rk7 n LEU 126 N -0.72 -0.83 -0.91 -2.67 4.77 -1.26 -3.79 117.00 111.59 1rk7 n LEU 126 Ca 0.00 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1rk7 n LEU 126 Cb 0.00 -1.78 0.00 0.00 -2.33 0.00 0.00 43.42 39.31 1rk7 n LEU 126 CO 0.00 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.23 1rk7 n GLY 127 N -0.35 -2.02 0.00 -0.72 0.00 -1.26 -5.04 105.19 95.80 1rk7 n GLY 127 Ca -0.11 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1rk7 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rk7 n LYS 128 N 0.54 0.00 0.00 1.61 5.02 -1.25 -5.07 118.16 119.01 1rk7 n LYS 128 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1rk7 n LYS 128 Cb 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.91 1rk7 n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rk7 n GLY 129 N 2.72 0.68 0.00 0.72 0.00 -1.26 -5.15 105.19 102.89 1rk7 n GLY 129 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1rk7 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rk7 n GLY 130 N 0.00 -3.38 3.33 -0.02 0.00 -1.26 -5.07 105.19 98.78 1rk7 n GLY 130 Ca 0.00 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 1rk7 n GLY 130 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rk7 s ASN 131 N -1.90 -0.48 -0.46 1.61 0.01 -1.26 -4.73 114.94 107.73 1rk7 s ASN 131 Ca 0.00 0.91 0.00 0.00 -0.71 0.00 0.00 52.86 53.06 1rk7 s ASN 131 Cb 0.00 0.89 0.00 0.00 0.41 0.00 0.00 41.25 42.55 1rk7 s ASN 131 CO 0.00 -0.16 0.00 1.21 -1.51 0.00 0.00 177.10 176.64 1rk7 n GLU 132 N 3.12 -1.01 0.05 -0.60 2.13 -1.26 -4.75 120.64 118.32 1rk7 n GLU 132 Ca -0.15 0.51 0.00 0.00 0.66 0.00 0.00 57.16 58.18 1rk7 n GLU 132 Cb 0.57 -4.41 0.00 0.00 0.27 0.00 0.00 31.44 27.86 1rk7 n GLU 132 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1rk7 n GLN 133 N -1.46 0.00 0.07 5.31 10.64 -1.26 -4.82 117.38 125.86 1rk7 n GLN 133 Ca -0.04 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.24 1rk7 n GLN 133 Cb 0.32 -0.16 0.01 0.00 -0.86 0.00 0.00 30.24 29.55 1rk7 n GLN 133 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1rk7 n SER 134 N -3.02 0.67 -0.18 2.61 3.41 -1.26 -2.52 113.62 113.33 1rk7 n SER 134 Ca 0.00 0.14 0.04 0.00 -0.26 0.00 0.00 58.87 58.79 1rk7 n SER 134 Cb 0.00 0.67 0.21 0.00 -0.26 0.00 0.00 64.21 64.82 1rk7 n SER 134 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1rk7 n THR 135 N -2.38 0.11 0.03 6.66 -2.24 -1.26 -1.15 114.28 114.05 1rk7 n THR 135 Ca 0.00 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1rk7 n THR 135 Cb 0.51 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1rk7 n THR 135 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1rk7 n LYS 136 N -0.29 0.00 -0.01 -0.78 4.81 -1.24 -1.49 118.16 119.15 1rk7 n LYS 136 Ca 0.07 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.53 1rk7 n LYS 136 Cb 0.11 -0.30 -0.05 0.00 0.02 0.00 0.00 35.03 34.80 1rk7 n LYS 136 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1rk7 n THR 137 N -3.06 0.10 -0.17 3.15 -2.24 -1.10 -4.70 114.28 106.25 1rk7 n THR 137 Ca 0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1rk7 n THR 137 Cb 0.19 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1rk7 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rk7 n GLY 138 N 2.27 0.90 2.76 3.38 0.00 -0.30 -3.90 105.19 110.31 1rk7 n GLY 138 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1rk7 n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rk7 n ASN 139 N 0.18 0.00 -3.80 1.61 2.85 -1.05 -4.64 115.26 110.42 1rk7 n ASN 139 Ca 0.00 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.19 1rk7 n ASN 139 Cb 0.00 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 40.90 1rk7 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1rk7 n ALA 140 N 0.42 3.32 -3.89 5.20 0.00 -1.25 -4.99 120.51 119.32 1rk7 n ALA 140 Ca 0.00 -4.26 -0.33 0.00 0.00 0.00 0.00 53.44 48.84 1rk7 n ALA 140 Cb 0.00 -0.98 -0.15 0.00 0.00 0.00 0.00 19.45 18.33 1rk7 n ALA 140 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rk7 s GLY 141 N -1.20 1.65 0.00 0.00 0.00 -1.26 -4.41 107.32 102.10 1rk7 s GLY 141 Ca 0.27 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 43.33 1rk7 s GLY 141 CO -0.17 0.59 0.00 1.44 0.00 0.00 0.00 173.10 174.95 1rk7 n SER 142 N 4.54 0.00 -4.21 1.64 7.64 -1.26 -4.96 113.62 117.01 1rk7 n SER 142 Ca -0.15 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.39 1rk7 n SER 142 Cb 0.44 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.73 1rk7 n SER 142 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1rk7 n ARG 143 N 0.00 -0.26 0.00 1.43 3.00 -1.26 -3.76 116.66 115.81 1rk7 n ARG 143 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 57.85 57.79 1rk7 n ARG 143 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 32.46 31.02 1rk7 n ARG 143 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1rk7 n LEU 144 N 0.90 0.00 -4.75 0.55 4.77 -1.22 -4.89 117.00 112.36 1rk7 n LEU 144 Ca 0.02 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.70 1rk7 n LEU 144 Cb 0.57 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.58 1rk7 n LEU 144 CO 0.51 -0.17 -0.22 0.00 -1.33 0.00 0.00 177.39 176.19 1rk7 s ALA 145 N -2.00 3.94 -0.44 -1.18 0.00 -1.26 -1.06 121.76 119.77 1rk7 s ALA 145 Ca 0.00 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.05 1rk7 s ALA 145 Cb 0.00 -0.08 0.24 0.00 0.00 0.00 0.00 23.12 23.29 1rk7 s ALA 145 CO 0.00 -0.10 0.68 0.00 0.00 0.00 0.00 175.76 176.34 1rk7 n GLY 147 N 1.58 -2.23 1.64 0.00 0.00 -1.26 -4.64 105.19 100.28 1rk7 n GLY 147 Ca 0.16 1.06 0.00 0.00 0.00 0.00 0.00 46.02 47.23 1rk7 n GLY 147 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rk7 n VAL 148 N -5.17 -9.08 -2.22 1.61 0.31 -1.26 -3.84 118.33 98.67 1rk7 n VAL 148 Ca 0.03 2.03 -0.41 0.00 -0.01 0.00 0.00 64.34 65.98 1rk7 n VAL 148 Cb 0.26 -4.54 -0.03 0.00 -0.91 0.00 0.00 33.84 28.62 1rk7 n VAL 148 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1rk7 s ILE 149 N -0.34 3.16 -0.19 2.52 1.09 -1.25 -4.05 121.20 122.14 1rk7 s ILE 149 Ca 0.00 0.99 -0.04 0.00 -1.10 0.00 0.00 60.65 60.50 1rk7 s ILE 149 Cb 0.00 -3.63 0.09 0.00 -1.06 0.00 0.00 42.46 37.85 1rk7 s ILE 149 CO 0.00 0.17 0.21 -0.83 -0.10 0.00 0.00 174.94 174.39 1rk7 s GLY 150 N 0.14 0.02 0.35 6.18 0.00 0.28 -3.56 107.32 110.73 1rk7 s GLY 150 Ca 0.55 0.26 -0.22 0.00 0.00 0.00 0.00 44.72 45.31 1rk7 s GLY 150 CO 0.40 2.11 0.17 1.39 0.00 0.00 0.00 173.10 177.16 1rk7 n ILE 151 N 5.32 0.88 -4.12 0.90 2.08 -1.26 -1.47 119.36 121.69 1rk7 n ILE 151 Ca -0.06 -0.48 -0.11 0.00 0.56 0.00 0.00 62.75 62.66 1rk7 n ILE 151 Cb 0.50 0.00 -0.09 0.00 -0.75 0.00 0.00 39.64 39.30 1rk7 n ILE 151 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1rk7 s ALA 152 N -1.50 0.69 0.00 -1.39 0.00 -0.79 -4.74 121.76 114.03 1rk7 s ALA 152 Ca 0.58 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1rk7 s ALA 152 Cb -0.67 1.14 0.00 0.00 0.00 0.00 0.00 23.12 23.59 1rk7 s ALA 152 CO 0.60 -0.62 0.06 0.94 0.00 0.00 0.00 175.76 176.73