#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rk7 s THR 2 N 0.00 4.71 0.23 0.00 2.01 -1.25 -4.93 115.64 116.41 1rk7 s THR 2 Ca 0.00 -0.50 -0.18 0.00 0.31 0.00 0.00 61.69 61.32 1rk7 s THR 2 Cb 0.00 -4.44 -0.08 0.00 0.01 0.00 0.00 72.50 67.98 1rk7 s THR 2 CO 0.00 -1.04 0.70 -0.75 -0.69 0.00 0.00 174.62 172.84 1rk7 s LYS 3 N 3.05 4.16 0.29 4.92 2.20 -1.26 -3.86 119.74 129.24 1rk7 s LYS 3 Ca 0.17 0.77 0.04 0.00 -0.36 0.00 0.00 55.97 56.59 1rk7 s LYS 3 Cb -0.19 -2.80 -0.06 0.00 -1.51 0.00 0.00 37.83 33.27 1rk7 s LYS 3 CO 0.11 0.36 0.01 0.00 -0.36 0.00 0.00 175.35 175.47 1rk7 s ALA 4 N -1.61 2.20 0.03 3.13 0.00 0.41 -1.75 121.76 124.17 1rk7 s ALA 4 Ca 0.44 -1.93 -0.00 0.00 0.00 0.00 0.00 51.96 50.47 1rk7 s ALA 4 Cb -0.15 0.48 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 1rk7 s ALA 4 CO 0.20 -0.23 -0.03 0.08 0.00 0.00 0.00 175.76 175.78 1rk7 s VAL 5 N -3.25 0.16 -0.46 0.00 1.01 -0.61 -1.01 120.40 116.24 1rk7 s VAL 5 Ca 0.32 -1.20 0.06 0.00 0.00 0.00 0.00 61.98 61.17 1rk7 s VAL 5 Cb 0.06 -0.67 0.18 0.00 0.00 0.00 0.00 36.38 35.96 1rk7 s VAL 5 CO 0.13 -0.65 0.61 0.00 0.00 0.00 0.00 175.10 175.18 1rk7 s ALA 6 N -2.23 -1.50 -0.58 5.51 0.00 0.43 0.04 121.76 123.43 1rk7 s ALA 6 Ca -0.09 -0.60 -0.25 0.00 0.00 0.00 0.00 51.96 51.03 1rk7 s ALA 6 Cb -0.04 -2.49 0.04 0.00 0.00 0.00 0.00 23.12 20.63 1rk7 s ALA 6 CO -0.04 -2.19 1.00 0.14 0.00 0.00 0.00 175.76 174.67 1rk7 s VAL 7 N 1.08 4.29 0.14 0.00 -7.23 -1.26 -1.53 120.40 115.89 1rk7 s VAL 7 Ca 0.25 0.28 -0.35 0.00 -1.81 0.00 0.00 61.98 60.35 1rk7 s VAL 7 Cb -0.03 -4.61 -0.16 0.00 0.56 0.00 0.00 36.38 32.15 1rk7 s VAL 7 CO -0.07 -1.24 1.32 0.18 -0.31 0.00 0.00 175.10 174.98 1rk7 n LEU 8 N 7.75 1.92 -3.16 1.32 4.77 0.18 -4.01 117.00 125.77 1rk7 n LEU 8 Ca 0.02 1.12 0.04 0.00 -0.03 0.00 0.00 56.01 57.17 1rk7 n LEU 8 Cb 0.47 -1.25 -0.01 0.00 -2.33 0.00 0.00 43.42 40.30 1rk7 n LEU 8 CO 0.65 -0.98 0.32 -0.75 -1.33 0.00 0.00 177.39 175.30 1rk7 s LYS 9 N 0.20 0.43 0.00 3.23 2.20 -1.24 -3.67 119.74 120.89 1rk7 s LYS 9 Ca 0.79 0.77 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 1rk7 s LYS 9 Cb -0.86 0.43 0.00 0.00 -1.51 0.00 0.00 37.83 35.89 1rk7 s LYS 9 CO 0.47 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 175.41 1rk7 n GLY 10 N 5.44 -2.24 0.41 5.54 0.00 -1.26 -3.61 105.19 109.47 1rk7 n GLY 10 Ca -0.03 0.71 -0.09 0.00 0.00 0.00 0.00 46.02 46.61 1rk7 n GLY 10 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1rk7 h ASP 11 N 0.00 -1.70 0.00 1.61 3.58 -1.32 -3.47 116.42 115.12 1rk7 h ASP 11 Ca 0.00 0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.72 1rk7 h ASP 11 Cb 0.00 0.76 0.00 0.00 1.72 0.00 0.00 39.33 41.81 1rk7 h ASP 11 CO 0.00 -0.32 0.00 0.61 -2.88 0.00 0.00 179.24 176.65 1rk7 n GLY 12 N -1.38 0.73 0.13 -0.78 0.00 -1.26 -4.95 105.19 97.68 1rk7 n GLY 12 Ca 0.02 0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 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 0.34 -5.25 1.61 0.13 -1.91 -3.41 132.00 123.51 1rk7 h PRO 13 Ca 0.00 -0.33 -0.07 0.00 -0.87 0.00 0.00 66.00 64.73 1rk7 h PRO 13 Cb 0.00 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.19 1rk7 h PRO 13 CO 0.00 1.00 0.42 0.28 -0.23 0.00 0.00 178.00 179.48 1rk7 n VAL 14 N -4.35 0.00 -2.13 1.56 0.31 -1.16 -4.29 118.33 108.28 1rk7 n VAL 14 Ca -0.09 -0.47 -0.27 0.00 -0.01 0.00 0.00 64.34 63.49 1rk7 n VAL 14 Cb 0.58 -1.57 0.02 0.00 -0.91 0.00 0.00 33.84 31.96 1rk7 n VAL 14 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1rk7 n GLN 15 N 8.06 3.44 -0.64 5.55 7.27 0.14 -3.69 117.38 137.51 1rk7 n GLN 15 Ca 0.50 -4.19 -0.31 0.00 0.07 0.00 0.00 57.00 53.07 1rk7 n GLN 15 Cb 0.38 -2.27 0.18 0.00 2.41 0.00 0.00 30.24 30.94 1rk7 n GLN 15 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1rk7 n GLY 16 N -0.64 -1.19 2.56 1.69 0.00 -1.24 -4.54 105.19 101.83 1rk7 n GLY 16 Ca 0.44 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.52 0.29 0.16 -0.61 1.01 0.37 0.48 121.20 120.39 1rk7 s ILE 17 Ca 0.65 -1.37 0.07 0.00 0.00 0.00 0.00 60.65 60.00 1rk7 s ILE 17 Cb -0.23 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 1rk7 s ILE 17 CO 0.62 -0.83 -0.01 -0.51 0.00 0.00 0.00 174.94 174.20 1rk7 s ILE 18 N 1.49 3.69 0.29 2.92 -1.16 -0.58 -1.83 121.20 126.01 1rk7 s ILE 18 Ca 0.13 -1.40 0.02 0.00 -0.51 0.00 0.00 60.65 58.90 1rk7 s ILE 18 Cb -0.20 -2.84 -0.04 0.00 0.61 0.00 0.00 42.46 40.00 1rk7 s ILE 18 CO -0.18 -0.08 0.14 0.20 -2.81 0.00 0.00 174.94 172.21 1rk7 s ASN 19 N -2.85 1.35 -0.12 4.50 0.01 -0.19 0.16 114.94 117.81 1rk7 s ASN 19 Ca 0.27 -1.50 -0.04 0.00 -0.71 0.00 0.00 52.86 50.88 1rk7 s ASN 19 Cb -0.10 0.33 0.05 0.00 0.41 0.00 0.00 41.25 41.95 1rk7 s ASN 19 CO 0.18 -0.85 0.09 -0.36 -1.51 0.00 0.00 177.10 174.66 1rk7 s PHE 20 N -3.68 0.08 0.01 2.20 0.40 -0.18 -3.18 117.98 113.63 1rk7 s PHE 20 Ca 0.36 0.01 0.07 0.00 -0.60 0.00 0.00 56.93 56.77 1rk7 s PHE 20 Cb 0.06 -0.56 -0.03 0.00 0.51 0.00 0.00 43.02 43.00 1rk7 s PHE 20 CO 0.16 -0.38 -0.20 -2.00 0.70 0.00 0.00 175.22 173.51 1rk7 s GLU 21 N 2.17 2.13 -0.33 0.44 2.12 -1.02 0.16 118.70 124.37 1rk7 s GLU 21 Ca 0.04 -0.93 -0.01 0.00 0.36 0.00 0.00 54.97 54.42 1rk7 s GLU 21 Cb -0.14 -2.17 0.12 0.00 0.26 0.00 0.00 34.13 32.20 1rk7 s GLU 21 CO -0.07 0.56 0.18 -1.14 -0.54 0.00 0.00 175.26 174.25 1rk7 s GLN 22 N -1.12 0.48 -0.56 4.30 0.74 -1.25 0.16 119.66 122.40 1rk7 s GLN 22 Ca 0.13 -1.09 -0.06 0.00 0.05 0.00 0.00 55.36 54.38 1rk7 s GLN 22 Cb -0.10 -1.35 -0.12 0.00 1.10 0.00 0.00 33.01 32.54 1rk7 s GLN 22 CO 0.03 -1.13 3.18 1.17 -0.55 0.00 0.00 175.29 177.98 1rk7 n LYS 23 N 4.45 2.69 0.00 1.67 4.81 -1.26 0.13 118.16 130.66 1rk7 n LYS 23 Ca 0.05 -1.79 0.00 0.00 -0.87 0.00 0.00 58.31 55.70 1rk7 n LYS 23 Cb 0.39 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.18 1rk7 n LYS 23 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1rk7 n GLU 24 N 2.27 0.00 0.00 1.64 4.07 -1.26 -4.83 120.64 122.52 1rk7 n GLU 24 Ca 0.53 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.63 1rk7 n GLU 24 Cb 0.63 -0.06 0.00 0.00 -0.06 0.00 0.00 31.44 31.95 1rk7 n GLU 24 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1rk7 n SER 25 N -2.08 0.00 -0.80 4.31 3.41 -1.22 -4.55 113.62 112.69 1rk7 n SER 25 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1rk7 n SER 25 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1rk7 n SER 25 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1rk7 n ASN 26 N 0.00 -0.40 0.00 4.04 0.23 -1.26 -5.01 115.26 112.86 1rk7 n ASN 26 Ca 0.00 -1.59 0.00 0.00 -0.53 0.00 0.00 54.58 52.46 1rk7 n ASN 26 Cb 0.00 0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 1rk7 n ASN 26 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rk7 n GLY 27 N 0.03 5.25 3.81 4.83 0.00 -1.26 -5.08 105.19 112.77 1rk7 n GLY 27 Ca -0.13 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 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 2.97 3.25 -0.21 1.61 0.04 -1.26 -4.61 135.00 136.79 1rk7 s PRO 28 Ca 0.00 1.10 -0.02 0.00 0.04 0.00 0.00 61.00 62.12 1rk7 s PRO 28 Cb 0.00 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1rk7 s PRO 28 CO 0.00 -0.86 -0.10 0.08 0.04 0.00 0.00 177.00 176.16 1rk7 s VAL 29 N -2.66 2.87 -0.82 -0.36 1.01 -0.44 -4.41 120.40 115.59 1rk7 s VAL 29 Ca 0.61 -0.67 -0.25 0.00 0.00 0.00 0.00 61.98 61.67 1rk7 s VAL 29 Cb -0.15 -2.28 -0.00 0.00 0.00 0.00 0.00 36.38 33.95 1rk7 s VAL 29 CO 0.42 0.46 1.66 -0.54 0.00 0.00 0.00 175.10 177.11 1rk7 s LYS 30 N 1.41 2.95 -0.04 2.72 1.02 0.41 -3.17 119.74 125.05 1rk7 s LYS 30 Ca 0.05 -0.24 -0.20 0.00 0.02 0.00 0.00 55.97 55.61 1rk7 s LYS 30 Cb -0.14 -4.76 -0.05 0.00 -0.52 0.00 0.00 37.83 32.36 1rk7 s LYS 30 CO -0.07 -2.67 0.55 0.08 -0.92 0.00 0.00 175.35 172.33 1rk7 s VAL 31 N 7.67 5.00 -0.27 3.17 1.01 -0.18 -2.42 120.40 134.38 1rk7 s VAL 31 Ca 0.56 1.15 -0.25 0.00 0.00 0.00 0.00 61.98 63.43 1rk7 s VAL 31 Cb -0.07 -3.89 0.10 0.00 0.00 0.00 0.00 36.38 32.53 1rk7 s VAL 31 CO 0.06 0.40 0.93 -1.66 0.00 0.00 0.00 175.10 174.83 1rk7 s TRP 32 N -0.01 -0.57 0.00 5.22 -2.14 -1.19 -0.91 118.94 119.33 1rk7 s TRP 32 Ca 0.29 1.38 0.00 0.00 2.66 0.00 0.00 56.10 60.43 1rk7 s TRP 32 Cb -0.17 0.34 0.00 0.00 -3.10 0.00 0.00 33.47 30.54 1rk7 s TRP 32 CO 0.15 -0.29 0.00 0.41 -2.66 0.00 0.00 176.95 174.56 1rk7 n GLY 33 N 2.28 2.25 3.54 3.67 0.00 -1.15 -1.02 105.19 114.76 1rk7 n GLY 33 Ca -0.13 -0.92 -0.03 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.05 -0.89 0.65 1.61 0.01 -0.76 -1.77 113.70 112.50 1rk7 s SER 34 Ca 0.00 1.41 -0.07 0.00 1.31 0.00 0.00 55.95 58.59 1rk7 s SER 34 Cb 0.00 1.97 0.02 0.00 0.21 0.00 0.00 66.02 68.23 1rk7 s SER 34 CO 0.00 -0.22 0.98 -0.63 0.41 0.00 0.00 173.24 173.77 1rk7 s ILE 35 N 2.73 3.26 -0.28 1.44 1.01 0.39 0.14 121.20 129.89 1rk7 s ILE 35 Ca -0.05 0.04 -0.00 0.00 0.00 0.00 0.00 60.65 60.64 1rk7 s ILE 35 Cb -0.12 -3.34 0.17 0.00 0.01 0.00 0.00 42.46 39.18 1rk7 s ILE 35 CO -0.17 -0.38 0.51 -0.54 0.00 0.00 0.00 174.94 174.36 1rk7 s LYS 36 N -5.14 0.48 0.00 2.79 1.02 -1.26 -3.46 119.74 114.17 1rk7 s LYS 36 Ca 0.56 0.72 0.00 0.00 0.02 0.00 0.00 55.97 57.27 1rk7 s LYS 36 Cb -0.11 0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.32 1rk7 s LYS 36 CO 0.47 -0.72 0.00 0.41 -0.92 0.00 0.00 175.35 174.59 1rk7 n GLY 37 N 5.40 2.86 0.00 -3.33 0.00 -1.26 -0.68 105.19 108.18 1rk7 n GLY 37 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.86 0.99 4.32 -1.26 -4.91 117.00 112.28 1rk7 n LEU 38 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.88 1rk7 n LEU 38 Cb 0.00 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.70 1rk7 n LEU 38 CO 0.00 -0.85 -0.15 0.42 -1.22 0.00 0.00 177.39 175.59 1rk7 s THR 39 N -0.30 0.09 -0.45 -5.08 -4.23 -1.26 -3.73 115.64 100.67 1rk7 s THR 39 Ca 0.00 -0.71 -0.42 0.00 -1.18 0.00 0.00 61.69 59.38 1rk7 s THR 39 Cb 0.00 -0.50 -0.18 0.00 1.34 0.00 0.00 72.50 73.16 1rk7 s THR 39 CO 0.00 -0.39 1.50 -1.84 -0.54 0.00 0.00 174.62 173.35 1rk7 n GLU 40 N 1.35 0.00 0.00 3.99 -0.00 -1.26 -4.31 120.64 120.41 1rk7 n GLU 40 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.94 1rk7 n GLU 40 Cb 0.56 -1.35 0.00 0.00 -0.00 0.00 0.00 31.44 30.65 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 4.01 0.29 3.74 -1.84 0.00 -1.26 -4.89 105.19 105.23 1rk7 n GLY 41 Ca 0.31 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 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 4.50 0.40 0.99 1.02 -1.26 -0.40 118.68 123.92 1rk7 s LEU 42 Ca 0.00 1.69 0.08 0.00 0.02 0.00 0.00 54.13 55.92 1rk7 s LEU 42 Cb 0.00 -3.47 -0.04 0.00 0.02 0.00 0.00 46.19 42.70 1rk7 s LEU 42 CO 0.00 -0.02 0.23 -1.00 0.02 0.00 0.00 176.35 175.58 1rk7 s HIS 43 N -0.13 2.65 1.12 0.29 3.76 0.10 -3.24 115.29 119.83 1rk7 s HIS 43 Ca 0.44 -0.53 -0.19 0.00 -0.15 0.00 0.00 55.06 54.63 1rk7 s HIS 43 Cb -0.23 -1.98 0.26 0.00 1.11 0.00 0.00 32.58 31.75 1rk7 s HIS 43 CO 0.28 0.12 1.23 0.20 -0.85 0.00 0.00 174.74 175.72 1rk7 s GLY 44 N -3.96 1.70 0.40 -2.22 0.00 -0.96 -3.55 107.32 98.73 1rk7 s GLY 44 Ca 0.43 -1.17 -0.13 0.00 0.00 0.00 0.00 44.72 43.85 1rk7 s GLY 44 CO 0.24 -0.29 0.80 -1.36 0.00 0.00 0.00 173.10 172.48 1rk7 s PHE 45 N -3.47 3.44 1.00 1.90 0.40 -1.26 -4.15 117.98 115.84 1rk7 s PHE 45 Ca 0.74 1.15 -0.16 0.00 -0.60 0.00 0.00 56.93 58.06 1rk7 s PHE 45 Cb -0.05 -2.52 0.20 0.00 0.51 0.00 0.00 43.02 41.15 1rk7 s PHE 45 CO 0.55 -0.10 1.22 -3.38 0.70 0.00 0.00 175.22 174.21 1rk7 s HIS 46 N -2.32 1.65 0.15 0.36 -3.43 -1.20 -4.38 115.29 106.12 1rk7 s HIS 46 Ca 0.53 0.52 0.00 0.00 -0.80 0.00 0.00 55.06 55.31 1rk7 s HIS 46 Cb -0.10 -3.74 0.00 0.00 -1.43 0.00 0.00 32.58 27.30 1rk7 s HIS 46 CO 0.28 -2.81 0.00 0.28 -2.00 0.00 0.00 174.74 170.49 1rk7 n VAL 47 N -3.97 -2.47 -4.06 -5.38 0.31 -1.06 -4.57 118.33 97.13 1rk7 n VAL 47 Ca 0.12 0.82 -0.09 0.00 -0.01 0.00 0.00 64.34 65.18 1rk7 n VAL 47 Cb 0.60 -1.46 -0.09 0.00 -0.91 0.00 0.00 33.84 31.97 1rk7 n VAL 47 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1rk7 s HIS 48 N -1.85 0.63 0.10 3.52 -3.43 -1.26 -4.96 115.29 108.04 1rk7 s HIS 48 Ca 0.00 -1.02 -0.27 0.00 -0.80 0.00 0.00 55.06 52.97 1rk7 s HIS 48 Cb 0.00 -0.31 0.08 0.00 -1.43 0.00 0.00 32.58 30.92 1rk7 s HIS 48 CO 0.00 -0.57 0.99 -2.00 -2.00 0.00 0.00 174.74 171.16 1rk7 s GLU 49 N -4.00 1.01 0.17 -0.38 2.12 -1.26 -4.76 118.70 111.60 1rk7 s GLU 49 Ca 0.19 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 54.99 1rk7 s GLU 49 Cb 0.06 0.36 0.00 0.00 0.26 0.00 0.00 34.13 34.81 1rk7 s GLU 49 CO -0.01 -0.46 0.00 -1.91 -0.54 0.00 0.00 175.26 172.35 1rk7 n GLU 50 N -0.42 0.00 0.00 4.30 0.00 -1.26 0.14 120.64 123.39 1rk7 n GLU 50 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.09 1rk7 n GLU 50 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.05 1rk7 n GLU 50 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1rk7 n GLU 51 N -2.79 0.00 -3.27 5.31 2.13 -1.26 -4.93 120.64 115.84 1rk7 n GLU 51 Ca 0.00 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 1rk7 n GLU 51 Cb 0.00 -0.23 0.02 0.00 0.27 0.00 0.00 31.44 31.49 1rk7 n GLU 51 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1rk7 s ASP 52 N -4.08 5.16 -0.36 4.31 1.11 -1.26 -5.02 116.67 116.54 1rk7 s ASP 52 Ca 0.00 -0.78 0.07 0.00 0.18 0.00 0.00 52.55 52.02 1rk7 s ASP 52 Cb 0.00 -0.10 0.62 0.00 1.07 0.00 0.00 42.92 44.50 1rk7 s ASP 52 CO 0.00 -1.02 1.71 -3.20 1.18 0.00 0.00 175.17 173.84 1rk7 n ASN 53 N -1.93 3.47 0.00 0.27 5.15 -1.26 -4.47 115.26 116.50 1rk7 n ASN 53 Ca 0.09 -3.57 0.00 0.00 -0.60 0.00 0.00 54.58 50.49 1rk7 n ASN 53 Cb 0.61 -0.73 0.00 0.00 -0.53 0.00 0.00 39.78 39.13 1rk7 n ASN 53 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1rk7 n THR 54 N -0.94 0.00 0.00 -0.44 5.66 -1.26 -5.03 114.28 112.27 1rk7 n THR 54 Ca 0.45 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.45 1rk7 n THR 54 Cb 1.35 -0.31 0.00 0.00 -1.55 0.00 0.00 70.33 69.82 1rk7 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rk7 n ALA 55 N -2.26 0.00 0.00 1.79 0.00 -1.26 -3.63 120.51 115.15 1rk7 n ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rk7 n ALA 55 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 1.89 3.37 0.00 0.00 -1.26 -4.79 105.19 104.40 1rk7 n GLY 56 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.89 0.00 -3.11 0.00 -2.24 -1.26 -4.64 114.28 102.14 1rk7 n THR 58 Ca -0.08 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.73 1rk7 n THR 58 Cb 0.62 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1rk7 n THR 58 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1rk7 s SER 59 N 1.00 -1.22 0.00 3.42 0.15 -1.26 -4.53 113.70 111.26 1rk7 s SER 59 Ca 0.00 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.37 1rk7 s SER 59 Cb 0.00 1.64 0.00 0.00 -1.71 0.00 0.00 66.02 65.95 1rk7 s SER 59 CO 0.00 -0.17 0.00 0.00 1.20 0.00 0.00 173.24 174.27 1rk7 n ALA 60 N 4.69 2.89 0.00 5.45 0.00 -1.26 -5.05 120.51 127.23 1rk7 n ALA 60 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1rk7 n ALA 60 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1rk7 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rk7 n GLY 61 N 2.18 1.65 3.77 0.00 0.00 -1.26 -4.91 105.19 106.62 1rk7 n GLY 61 Ca 0.00 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.64 -0.39 0.00 1.61 0.04 -1.25 -4.58 135.00 129.79 1rk7 s PRO 62 Ca 0.00 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 60.75 1rk7 s PRO 62 Cb 0.00 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1rk7 s PRO 62 CO 0.00 -3.12 0.00 1.58 0.04 0.00 0.00 177.00 175.50 1rk7 n HIS 63 N -4.29 -0.69 -3.56 0.56 -0.00 0.37 -4.75 115.22 102.85 1rk7 n HIS 63 Ca 0.15 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.37 1rk7 n HIS 63 Cb 0.59 0.33 -0.01 0.00 -0.12 0.00 0.00 29.99 30.78 1rk7 n HIS 63 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1rk7 n PHE 64 N -2.15 -2.05 -3.77 1.57 7.35 -1.26 -4.76 117.46 112.39 1rk7 n PHE 64 Ca 0.00 0.34 -0.35 0.00 -0.76 0.00 0.00 57.45 56.68 1rk7 n PHE 64 Cb 0.00 -0.49 -0.08 0.00 0.35 0.00 0.00 39.48 39.25 1rk7 n PHE 64 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1rk7 s ASN 65 N -4.39 6.10 -1.22 -2.13 2.47 -1.26 -4.89 114.94 109.62 1rk7 s ASN 65 Ca 0.00 0.19 -0.20 0.00 0.42 0.00 0.00 52.86 53.27 1rk7 s ASN 65 Cb 0.00 -2.07 -0.02 0.00 -1.45 0.00 0.00 41.25 37.71 1rk7 s ASN 65 CO 0.00 0.17 1.88 -0.81 -3.72 0.00 0.00 177.10 174.61 1rk7 n PRO 66 N 3.62 2.37 0.05 0.43 -0.04 -1.26 -3.62 135.00 136.54 1rk7 n PRO 66 Ca -0.16 -2.77 0.00 0.00 -0.04 0.00 0.00 63.50 60.53 1rk7 n PRO 66 Cb 0.52 -3.52 0.00 0.00 -0.04 0.00 0.00 33.50 30.46 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 10.51 -0.42 -0.02 1.53 -0.00 -1.26 -4.95 117.00 122.40 1rk7 n LEU 67 Ca 0.48 0.17 -0.01 0.00 -0.00 0.00 0.00 56.01 56.65 1rk7 n LEU 67 Cb 0.45 0.56 -0.05 0.00 -0.00 0.00 0.00 43.42 44.38 1rk7 n LEU 67 CO 0.77 -0.48 -0.65 -1.20 -0.00 0.00 0.00 177.39 175.84 1rk7 n SER 68 N -2.76 3.58 -3.30 1.96 7.64 -1.25 -4.77 113.62 114.72 1rk7 n SER 68 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1rk7 n SER 68 Cb 0.00 0.87 -0.03 0.00 -1.01 0.00 0.00 64.21 64.04 1rk7 n SER 68 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1rk7 n ARG 69 N -2.04 1.57 -2.90 1.43 3.00 -1.24 -2.30 116.66 114.19 1rk7 n ARG 69 Ca -0.06 -1.44 -0.12 0.00 -0.00 0.00 0.00 57.85 56.22 1rk7 n ARG 69 Cb 0.50 -2.54 0.04 0.00 0.00 0.00 0.00 32.46 30.46 1rk7 n ARG 69 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1rk7 n LYS 70 N 5.32 0.97 -1.49 -0.14 5.02 -1.26 -4.84 118.16 121.73 1rk7 n LYS 70 Ca 0.41 -2.43 0.00 0.00 -2.02 0.00 0.00 58.31 54.27 1rk7 n LYS 70 Cb 0.21 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1rk7 n LYS 70 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1rk7 n HIS 71 N 0.48 -4.09 0.00 2.13 1.44 -0.21 -5.00 115.22 109.97 1rk7 n HIS 71 Ca 0.13 2.21 0.00 0.00 -2.01 0.00 0.00 57.72 58.04 1rk7 n HIS 71 Cb 0.67 -3.42 0.00 0.00 0.12 0.00 0.00 29.99 27.37 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 -1.99 -1.25 0.00 -1.39 0.00 -1.26 -4.51 105.19 94.78 1rk7 n GLY 72 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 3.48 0.00 -0.02 0.00 -1.26 -4.94 105.19 102.46 1rk7 n GLY 73 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.76 1.61 -0.04 -1.26 -4.84 135.00 127.71 1rk7 n PRO 74 Ca 0.00 0.23 -0.04 0.00 -0.04 0.00 0.00 63.50 63.65 1rk7 n PRO 74 Cb 0.00 -0.85 0.01 0.00 -0.04 0.00 0.00 33.50 32.62 1rk7 n PRO 74 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1rk7 n LYS 75 N -1.18 0.54 0.00 0.54 -0.00 -1.26 -4.59 118.16 112.21 1rk7 n LYS 75 Ca 0.00 -2.03 0.00 0.00 -0.00 0.00 0.00 58.31 56.28 1rk7 n LYS 75 Cb 0.00 -1.46 0.00 0.00 -0.00 0.00 0.00 35.03 33.57 1rk7 n LYS 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1rk7 n ASP 76 N 2.92 0.00 -0.47 -5.58 8.00 -1.26 -4.87 116.55 115.30 1rk7 n ASP 76 Ca 0.18 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.72 1rk7 n ASP 76 Cb 0.56 0.12 0.10 0.00 -0.02 0.00 0.00 41.12 41.88 1rk7 n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1rk7 n GLU 77 N -1.59 2.40 -3.55 -1.24 1.02 -1.26 -4.92 120.64 111.50 1rk7 n GLU 77 Ca 0.00 -1.76 -0.07 0.00 -0.02 0.00 0.00 57.16 55.31 1rk7 n GLU 77 Cb 0.00 -1.20 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 1rk7 n GLU 77 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1rk7 s GLU 78 N -0.95 0.59 -0.48 3.49 2.12 -1.26 -4.34 118.70 117.86 1rk7 s GLU 78 Ca 0.16 -0.14 -0.07 0.00 0.36 0.00 0.00 54.97 55.29 1rk7 s GLU 78 Cb 0.09 0.27 0.01 0.00 0.26 0.00 0.00 34.13 34.76 1rk7 s GLU 78 CO 0.12 -0.24 0.13 2.89 -0.54 0.00 0.00 175.26 177.62 1rk7 n ARG 79 N 0.04 -0.85 -0.00 4.30 1.85 -0.97 -4.23 116.66 116.80 1rk7 n ARG 79 Ca -0.06 -0.17 0.02 0.00 -1.00 0.00 0.00 57.85 56.65 1rk7 n ARG 79 Cb 0.60 -0.70 -0.03 0.00 -1.05 0.00 0.00 32.46 31.28 1rk7 n ARG 79 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1rk7 n HIS 80 N -2.35 0.00 -0.25 2.89 -0.00 -1.26 -3.72 115.22 110.52 1rk7 n HIS 80 Ca -0.07 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.07 1rk7 n HIS 80 Cb 0.22 -0.01 0.07 0.00 -0.12 0.00 0.00 29.99 30.15 1rk7 n HIS 80 CO 0.00 0.00 0.00 -0.24 0.46 0.00 0.00 176.34 176.56 1rk7 h VAL 81 N 0.00 1.12 0.00 3.57 3.04 -1.97 -3.41 116.25 118.60 1rk7 h VAL 81 Ca 0.00 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 1rk7 h VAL 81 Cb 0.13 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.56 1rk7 h VAL 81 CO 0.00 0.16 0.00 0.61 -1.01 0.00 0.00 177.57 177.33 1rk7 n GLY 82 N -1.29 0.01 3.04 3.17 0.00 -1.26 -5.11 105.19 103.74 1rk7 n GLY 82 Ca 0.07 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1rk7 n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rk7 n ASP 83 N -1.70 -2.81 0.09 1.61 9.92 -1.24 -4.96 116.55 117.45 1rk7 n ASP 83 Ca 0.00 -0.28 0.00 0.00 -0.53 0.00 0.00 54.79 53.98 1rk7 n ASP 83 Cb 0.00 -0.76 0.00 0.00 -0.64 0.00 0.00 41.12 39.72 1rk7 n ASP 83 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1rk7 n LEU 84 N -0.58 -0.32 0.00 0.64 7.94 -1.26 -4.63 117.00 118.79 1rk7 n LEU 84 Ca 0.04 0.32 0.00 0.00 -1.11 0.00 0.00 56.01 55.25 1rk7 n LEU 84 Cb 0.41 0.45 0.00 0.00 0.53 0.00 0.00 43.42 44.81 1rk7 n LEU 84 CO 0.29 -0.62 0.00 0.61 -1.11 0.00 0.00 177.39 176.56 1rk7 n GLY 85 N 1.25 0.66 3.67 -3.96 0.00 -1.26 -4.10 105.19 101.44 1rk7 n GLY 85 Ca 0.00 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 1rk7 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rk7 s ASN 86 N -0.82 6.93 -0.30 1.61 -0.87 -1.26 -4.45 114.94 115.78 1rk7 s ASN 86 Ca 0.00 1.14 -0.14 0.00 -1.57 0.00 0.00 52.86 52.29 1rk7 s ASN 86 Cb 0.00 -2.44 -0.03 0.00 -0.02 0.00 0.00 41.25 38.76 1rk7 s ASN 86 CO 0.00 -0.38 0.31 0.68 -2.57 0.00 0.00 177.10 175.15 1rk7 s VAL 87 N 2.09 5.22 0.22 1.60 -7.23 -1.23 -4.87 120.40 116.19 1rk7 s VAL 87 Ca 0.37 0.28 -0.01 0.00 -1.81 0.00 0.00 61.98 60.81 1rk7 s VAL 87 Cb -0.16 -3.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.05 1rk7 s VAL 87 CO 0.12 0.11 0.42 -0.89 -0.31 0.00 0.00 175.10 174.55 1rk7 s THR 88 N 1.95 5.18 0.67 5.32 2.01 -1.26 0.00 115.64 129.52 1rk7 s THR 88 Ca 0.11 -0.33 -0.07 0.00 0.31 0.00 0.00 61.69 61.72 1rk7 s THR 88 Cb -0.16 -3.74 0.04 0.00 0.01 0.00 0.00 72.50 68.65 1rk7 s THR 88 CO 0.11 -0.22 0.99 0.00 -0.69 0.00 0.00 174.62 174.81 1rk7 s ALA 89 N -1.92 3.18 0.00 7.40 0.00 0.46 -4.38 121.76 126.50 1rk7 s ALA 89 Ca 0.39 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1rk7 s ALA 89 Cb -0.11 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.38 1rk7 s ALA 89 CO 0.29 -1.14 0.00 -3.47 0.00 0.00 0.00 175.76 171.44 1rk7 n ASP 90 N -2.83 0.00 0.00 0.00 2.03 0.14 -4.38 116.55 111.51 1rk7 n ASP 90 Ca 0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1rk7 n ASP 90 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 1rk7 n ASP 90 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1rk7 n LYS 91 N 0.00 0.67 -0.85 -0.67 2.85 -1.26 -4.76 118.16 114.15 1rk7 n LYS 91 Ca 0.00 -0.69 -0.05 0.00 -1.05 0.00 0.00 58.31 56.52 1rk7 n LYS 91 Cb 0.00 -0.63 -0.05 0.00 -0.65 0.00 0.00 35.03 33.70 1rk7 n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1rk7 n ASP 92 N -0.12 -0.64 0.00 -5.58 9.92 -1.26 -4.71 116.55 114.17 1rk7 n ASP 92 Ca 0.00 -1.68 0.00 0.00 -0.53 0.00 0.00 54.79 52.58 1rk7 n ASP 92 Cb 0.41 0.19 0.00 0.00 -0.64 0.00 0.00 41.12 41.08 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 0.01 2.87 3.43 0.44 0.00 -1.24 -4.44 105.19 106.25 1rk7 n GLY 93 Ca -0.18 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.60 1.61 0.31 -1.26 -3.75 118.33 111.65 1rk7 n VAL 94 Ca 0.00 -0.03 -0.39 0.00 -0.01 0.00 0.00 64.34 63.92 1rk7 n VAL 94 Cb 0.00 -0.46 -0.11 0.00 -0.91 0.00 0.00 33.84 32.36 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 8.33 3.45 0.10 3.52 0.00 -1.22 0.28 121.76 136.22 1rk7 s ALA 95 Ca 1.33 -1.22 0.05 0.00 0.00 0.00 0.00 51.96 52.13 1rk7 s ALA 95 Cb -1.21 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 1rk7 s ALA 95 CO 0.48 -0.71 -0.02 0.16 0.00 0.00 0.00 175.76 175.68 1rk7 s ASP 96 N 1.72 4.90 0.30 0.00 -4.77 -1.26 0.15 116.67 117.70 1rk7 s ASP 96 Ca 0.06 -0.23 0.08 0.00 -3.30 0.00 0.00 52.55 49.17 1rk7 s ASP 96 Cb -0.16 -1.12 -0.06 0.00 -1.09 0.00 0.00 42.92 40.48 1rk7 s ASP 96 CO 0.10 0.17 -0.09 -0.69 0.70 0.00 0.00 175.17 175.35 1rk7 s VAL 97 N -1.32 1.94 -0.32 2.11 1.01 -0.73 -4.90 120.40 118.20 1rk7 s VAL 97 Ca 0.25 -2.19 -0.09 0.00 0.00 0.00 0.00 61.98 59.95 1rk7 s VAL 97 Cb -0.11 -2.47 0.21 0.00 0.00 0.00 0.00 36.38 34.01 1rk7 s VAL 97 CO 0.18 -0.30 1.12 -0.94 0.00 0.00 0.00 175.10 175.15 1rk7 s SER 98 N -3.50 -0.19 0.22 3.32 1.04 -1.18 -2.91 113.70 110.51 1rk7 s SER 98 Ca 0.30 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.55 1rk7 s SER 98 Cb 0.02 0.25 -0.05 0.00 0.10 0.00 0.00 66.02 66.34 1rk7 s SER 98 CO 0.13 -0.01 0.07 -0.63 0.98 0.00 0.00 173.24 173.78 1rk7 s ILE 99 N 1.28 0.56 -0.37 -1.02 1.09 -0.09 -5.00 121.20 117.65 1rk7 s ILE 99 Ca 0.20 -1.99 0.01 0.00 -1.10 0.00 0.00 60.65 57.77 1rk7 s ILE 99 Cb 0.11 -2.45 0.11 0.00 -1.06 0.00 0.00 42.46 39.17 1rk7 s ILE 99 CO -0.12 -0.16 0.15 -0.70 -0.10 0.00 0.00 174.94 174.00 1rk7 s GLU 100 N -4.00 1.03 -0.28 2.79 2.12 -1.26 -1.01 118.70 118.08 1rk7 s GLU 100 Ca 0.33 -1.54 -0.24 0.00 0.36 0.00 0.00 54.97 53.88 1rk7 s GLU 100 Cb 0.07 -2.26 -0.00 0.00 0.26 0.00 0.00 34.13 32.20 1rk7 s GLU 100 CO 0.10 -1.05 0.81 0.34 -0.54 0.00 0.00 175.26 174.92 1rk7 s ASP 101 N 1.03 6.74 -0.99 -1.70 2.15 -1.19 -4.83 116.67 117.87 1rk7 s ASP 101 Ca 0.13 0.82 -0.01 0.00 0.43 0.00 0.00 52.55 53.92 1rk7 s ASP 101 Cb -0.20 -2.42 0.32 0.00 -0.30 0.00 0.00 42.92 40.31 1rk7 s ASP 101 CO -0.13 -0.59 1.68 -0.24 -0.17 0.00 0.00 175.17 175.72 1rk7 n SER 102 N 6.16 6.90 0.00 -0.34 2.88 -1.26 -1.33 113.62 126.63 1rk7 n SER 102 Ca 0.05 -3.64 0.00 0.00 -1.33 0.00 0.00 58.87 53.95 1rk7 n SER 102 Cb 0.48 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 1rk7 n SER 102 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1rk7 n VAL 103 N 0.18 0.00 -0.44 2.46 0.31 -1.26 -4.86 118.33 114.71 1rk7 n VAL 103 Ca 0.42 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.58 1rk7 n VAL 103 Cb 0.29 0.00 0.16 0.00 -0.91 0.00 0.00 33.84 33.38 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 -2.49 0.00 -3.54 2.52 -6.64 -1.26 -4.80 119.36 103.15 1rk7 n ILE 104 Ca 0.00 0.00 -0.10 0.00 -1.77 0.00 0.00 62.75 60.88 1rk7 n ILE 104 Cb 0.00 -0.55 -0.04 0.00 -1.44 0.00 0.00 39.64 37.61 1rk7 n ILE 104 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 1rk7 s SER 105 N -2.17 -0.39 0.11 7.28 0.15 -1.26 -4.84 113.70 112.58 1rk7 s SER 105 Ca 0.37 0.28 -0.19 0.00 0.70 0.00 0.00 55.95 57.11 1rk7 s SER 105 Cb -0.07 0.35 -0.06 0.00 -1.71 0.00 0.00 66.02 64.54 1rk7 s SER 105 CO 0.31 -0.47 1.69 -0.07 1.20 0.00 0.00 173.24 175.90 1rk7 h LEU 106 N 2.39 0.33 -7.21 3.45 -0.00 -1.95 0.36 115.31 112.68 1rk7 h LEU 106 Ca -0.20 -0.12 -0.08 0.00 -0.00 0.00 0.00 57.88 57.48 1rk7 h LEU 106 Cb 1.19 -0.08 -0.18 0.00 -0.00 0.00 0.00 40.66 41.58 1rk7 h LEU 106 CO 0.32 0.35 0.01 -0.44 -0.00 0.00 0.00 178.44 178.68 1rk7 s SER 107 N -5.59 -0.46 -0.41 -0.43 0.01 -1.26 -3.34 113.70 102.22 1rk7 s SER 107 Ca -0.13 0.36 -0.02 0.00 1.31 0.00 0.00 55.95 57.47 1rk7 s SER 107 Cb 0.08 0.46 -0.02 0.00 0.21 0.00 0.00 66.02 66.76 1rk7 s SER 107 CO 0.71 -0.61 0.35 0.61 0.41 0.00 0.00 173.24 174.72 1rk7 n GLY 108 N 0.83 0.14 0.00 3.44 0.00 -1.26 -4.86 105.19 103.47 1rk7 n GLY 108 Ca -0.19 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1rk7 n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rk7 n ASP 109 N -2.06 0.00 -0.00 1.61 8.00 -1.26 -4.95 116.55 117.90 1rk7 n ASP 109 Ca -0.05 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.47 1rk7 n ASP 109 Cb 0.55 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.63 1rk7 n ASP 109 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1rk7 n HIS 110 N 0.00 0.00 -2.27 1.24 -0.00 -1.26 -5.00 115.22 107.92 1rk7 n HIS 110 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1rk7 n HIS 110 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 29.99 29.94 1rk7 n HIS 110 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1rk7 n SER 111 N -1.48 -8.43 -0.08 0.26 2.88 -0.60 -4.87 113.62 101.29 1rk7 n SER 111 Ca -0.00 1.71 -0.16 0.00 -1.33 0.00 0.00 58.87 59.08 1rk7 n SER 111 Cb 0.07 -4.81 -0.13 0.00 -0.75 0.00 0.00 64.21 58.59 1rk7 n SER 111 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1rk7 n ILE 112 N 1.89 1.55 -1.66 2.46 -5.35 0.12 -4.86 119.36 113.51 1rk7 n ILE 112 Ca 0.00 -0.66 -0.66 0.00 -0.27 0.00 0.00 62.75 61.16 1rk7 n ILE 112 Cb 0.00 -1.28 -0.10 0.00 -1.74 0.00 0.00 39.64 36.52 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 -3.20 0.01 0.00 7.28 5.41 -1.26 -0.16 119.36 127.45 1rk7 n ILE 113 Ca -0.38 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.37 1rk7 n ILE 113 Cb 1.04 -0.53 0.00 0.00 -0.71 0.00 0.00 39.64 39.44 1rk7 n ILE 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1rk7 n GLY 114 N 4.66 1.04 3.42 7.39 0.00 -1.23 -4.98 105.19 115.49 1rk7 n GLY 114 Ca 0.35 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.93 1rk7 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rk7 s ARG 115 N -0.26 3.74 0.41 1.61 3.00 0.78 -4.75 118.95 123.47 1rk7 s ARG 115 Ca 0.00 -2.16 -0.25 0.00 0.00 0.00 0.00 55.73 53.32 1rk7 s ARG 115 Cb 0.00 -4.83 -0.08 0.00 0.00 0.00 0.00 34.95 30.04 1rk7 s ARG 115 CO 0.00 -1.64 1.16 -0.08 0.00 0.00 0.00 175.30 174.74 1rk7 s THR 116 N 1.71 3.20 -1.32 0.02 -1.32 -1.26 -4.14 115.64 112.53 1rk7 s THR 116 Ca 0.32 0.99 -0.10 0.00 -1.21 0.00 0.00 61.69 61.68 1rk7 s THR 116 Cb -0.06 -3.54 0.14 0.00 -1.51 0.00 0.00 72.50 67.53 1rk7 s THR 116 CO -0.07 0.07 1.96 -0.11 -2.21 0.00 0.00 174.62 174.25 1rk7 n LEU 117 N -0.01 6.71 -4.92 9.08 -0.00 -1.26 -2.56 117.00 124.03 1rk7 n LEU 117 Ca 0.05 -4.53 -0.28 0.00 -0.00 0.00 0.00 56.01 51.25 1rk7 n LEU 117 Cb 0.47 -1.52 0.11 0.00 -0.00 0.00 0.00 43.42 42.48 1rk7 n LEU 117 CO 0.50 1.32 0.75 -0.69 -0.00 0.00 0.00 177.39 179.27 1rk7 s VAL 118 N 1.02 2.08 -0.12 1.96 1.01 -1.26 -4.78 120.40 120.31 1rk7 s VAL 118 Ca 0.41 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 62.18 1rk7 s VAL 118 Cb 0.11 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.55 1rk7 s VAL 118 CO -0.02 0.00 0.31 0.68 0.00 0.00 0.00 175.10 176.07 1rk7 s VAL 119 N -3.54 -0.00 0.53 2.92 -7.23 -1.26 -3.21 120.40 108.61 1rk7 s VAL 119 Ca 0.65 0.01 -0.07 0.00 -1.81 0.00 0.00 61.98 60.75 1rk7 s VAL 119 Cb -0.09 -0.43 -0.04 0.00 0.56 0.00 0.00 36.38 36.38 1rk7 s VAL 119 CO 0.49 0.00 0.88 -1.00 -0.31 0.00 0.00 175.10 175.16 1rk7 s HIS 120 N 0.24 3.58 -1.36 2.82 3.76 -1.26 -3.10 115.29 119.97 1rk7 s HIS 120 Ca -0.01 0.99 -0.08 0.00 -0.15 0.00 0.00 55.06 55.81 1rk7 s HIS 120 Cb -0.03 -2.46 0.10 0.00 1.11 0.00 0.00 32.58 31.31 1rk7 s HIS 120 CO -0.00 -0.44 2.29 -1.91 -0.85 0.00 0.00 174.74 173.83 1rk7 n GLU 121 N -2.45 4.08 0.00 1.40 0.00 -1.13 -3.30 120.64 119.24 1rk7 n GLU 121 Ca 0.03 -3.27 0.00 0.00 0.00 0.00 0.00 57.16 53.91 1rk7 n GLU 121 Cb 0.55 -2.78 0.00 0.00 0.00 0.00 0.00 31.44 29.20 1rk7 n GLU 121 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1rk7 n LYS 122 N 2.89 0.00 0.00 5.31 4.76 -1.26 -4.90 118.16 124.95 1rk7 n LYS 122 Ca 0.57 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.01 1rk7 n LYS 122 Cb 0.29 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.48 1rk7 n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rk7 n ALA 123 N -0.43 0.00 -3.48 7.82 0.00 -1.20 -2.27 120.51 120.95 1rk7 n ALA 123 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1rk7 n ALA 123 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1rk7 n ALA 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rk7 s ASP 124 N -1.50 2.86 -0.26 0.00 1.01 -1.26 -4.32 116.67 113.20 1rk7 s ASP 124 Ca 0.00 -1.41 -0.02 0.00 0.71 0.00 0.00 52.55 51.83 1rk7 s ASP 124 Cb 0.00 -0.12 0.08 0.00 1.01 0.00 0.00 42.92 43.89 1rk7 s ASP 124 CO 0.00 -0.39 0.06 -1.81 0.21 0.00 0.00 175.17 173.24 1rk7 s ASP 125 N 1.87 3.56 -0.33 0.27 1.01 -1.26 -4.99 116.67 116.80 1rk7 s ASP 125 Ca 0.12 -1.26 -0.04 0.00 0.71 0.00 0.00 52.55 52.08 1rk7 s ASP 125 Cb -0.17 -0.77 -0.09 0.00 1.01 0.00 0.00 42.92 42.90 1rk7 s ASP 125 CO -0.25 -0.36 1.98 0.18 0.21 0.00 0.00 175.17 176.93 1rk7 n LEU 126 N 4.93 3.23 0.00 1.23 4.77 -1.26 -3.76 117.00 126.14 1rk7 n LEU 126 Ca -0.06 -2.14 0.00 0.00 -0.03 0.00 0.00 56.01 53.79 1rk7 n LEU 126 Cb 0.44 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1rk7 n LEU 126 CO 0.12 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1rk7 n GLY 127 N 3.20 -1.96 1.58 -0.72 0.00 -1.26 -4.73 105.19 101.30 1rk7 n GLY 127 Ca 0.28 0.93 -0.12 0.00 0.00 0.00 0.00 46.02 47.10 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 0.00 2.03 0.00 1.61 5.02 -1.25 -4.93 118.16 120.64 1rk7 n LYS 128 Ca 0.00 -3.17 0.00 0.00 -2.02 0.00 0.00 58.31 53.12 1rk7 n LYS 128 Cb 0.00 -1.96 0.00 0.00 -0.02 0.00 0.00 35.03 33.05 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 -1.12 1.79 2.10 0.72 0.00 -1.26 -4.95 105.19 102.47 1rk7 n GLY 129 Ca 0.43 -0.16 -0.19 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.21 3.17 -0.02 0.00 -1.26 -5.08 105.19 98.79 1rk7 n GLY 130 Ca 0.00 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 1rk7 n GLY 130 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rk7 s ASN 131 N -3.05 -0.25 -0.60 1.61 3.84 -1.26 -4.82 114.94 110.41 1rk7 s ASN 131 Ca 0.43 0.41 0.00 0.00 0.21 0.00 0.00 52.86 53.91 1rk7 s ASN 131 Cb -0.06 0.49 0.00 0.00 -0.55 0.00 0.00 41.25 41.14 1rk7 s ASN 131 CO 0.35 -0.18 0.00 1.21 -2.79 0.00 0.00 177.10 175.68 1rk7 n GLU 132 N 2.51 -0.52 0.14 0.43 2.13 -1.26 -4.84 120.64 119.23 1rk7 n GLU 132 Ca -0.15 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1rk7 n GLU 132 Cb 0.57 -4.27 0.00 0.00 0.27 0.00 0.00 31.44 28.01 1rk7 n GLU 132 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1rk7 n GLN 133 N -1.91 0.00 -0.01 5.31 -0.06 -1.26 -4.92 117.38 114.53 1rk7 n GLN 133 Ca -0.08 0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 54.85 1rk7 n GLN 133 Cb 0.48 0.00 -0.13 0.00 -4.06 0.00 0.00 30.24 26.53 1rk7 n GLN 133 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1rk7 n SER 134 N -3.40 0.85 0.22 1.69 3.41 -1.26 -2.50 113.62 112.63 1rk7 n SER 134 Ca 0.00 0.40 0.14 0.00 -0.26 0.00 0.00 58.87 59.15 1rk7 n SER 134 Cb 0.00 -0.01 0.73 0.00 -0.26 0.00 0.00 64.21 64.67 1rk7 n SER 134 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1rk7 h THR 135 N 0.00 0.00 0.00 6.66 1.35 -1.85 -1.79 112.91 117.28 1rk7 h THR 135 Ca -0.27 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.41 1rk7 h THR 135 Cb 1.95 0.59 -0.03 0.00 -1.73 0.00 0.00 68.15 68.93 1rk7 h THR 135 CO 0.07 0.00 -1.69 2.29 -0.25 0.00 0.00 175.52 175.95 1rk7 n LYS 136 N -2.47 1.08 0.00 4.72 2.85 -1.25 -1.05 118.16 122.05 1rk7 n LYS 136 Ca -0.02 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 1rk7 n LYS 136 Cb 0.11 -1.25 0.00 0.00 -0.65 0.00 0.00 35.03 33.24 1rk7 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1rk7 n THR 137 N -2.68 0.00 -1.80 0.58 -2.24 -0.67 -4.85 114.28 102.62 1rk7 n THR 137 Ca -0.20 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.55 1rk7 n THR 137 Cb 0.76 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.96 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 2.42 0.06 3.76 3.38 0.00 -1.23 -4.48 105.19 109.10 1rk7 n GLY 138 Ca 0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.02 -5.09 0.15 1.61 5.15 -1.21 -4.75 115.26 111.10 1rk7 n ASN 139 Ca -0.15 -1.07 0.00 0.00 -0.60 0.00 0.00 54.58 52.75 1rk7 n ASN 139 Cb 0.50 -3.05 0.00 0.00 -0.53 0.00 0.00 39.78 36.71 1rk7 n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rk7 n ALA 140 N -4.36 0.00 -2.66 5.20 0.00 -1.26 -5.01 120.51 112.42 1rk7 n ALA 140 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1rk7 n ALA 140 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1rk7 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rk7 n GLY 141 N -1.44 0.00 2.47 0.00 0.00 -1.26 -4.90 105.19 100.06 1rk7 n GLY 141 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1rk7 n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rk7 n SER 142 N 1.52 -1.40 -4.29 1.61 7.64 -1.26 -4.58 113.62 112.86 1rk7 n SER 142 Ca 0.00 -2.96 -0.35 0.00 1.01 0.00 0.00 58.87 56.57 1rk7 n SER 142 Cb 0.32 0.58 0.07 0.00 -1.01 0.00 0.00 64.21 64.17 1rk7 n SER 142 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1rk7 n ARG 143 N 1.65 -0.00 0.00 1.43 1.85 -1.26 -2.82 116.66 117.51 1rk7 n ARG 143 Ca 0.16 0.03 0.00 0.00 -1.00 0.00 0.00 57.85 57.04 1rk7 n ARG 143 Cb 0.57 -1.51 0.00 0.00 -1.05 0.00 0.00 32.46 30.48 1rk7 n ARG 143 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1rk7 n LEU 144 N 0.79 0.00 -5.00 2.89 4.77 -1.18 -4.67 117.00 114.59 1rk7 n LEU 144 Ca 0.05 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.83 1rk7 n LEU 144 Cb 0.52 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.67 1rk7 n LEU 144 CO 0.52 0.00 0.37 0.00 -1.33 0.00 0.00 177.39 176.95 1rk7 s ALA 145 N -2.00 4.17 -0.44 -1.18 0.00 -1.26 -0.97 121.76 120.08 1rk7 s ALA 145 Ca 0.00 -1.72 0.07 0.00 0.00 0.00 0.00 51.96 50.31 1rk7 s ALA 145 Cb 0.00 -1.81 0.24 0.00 0.00 0.00 0.00 23.12 21.55 1rk7 s ALA 145 CO 0.00 -0.90 0.70 0.00 0.00 0.00 0.00 175.76 175.56 1rk7 h GLY 147 N 4.09 0.57 -3.18 0.00 0.00 -1.82 -3.40 103.07 99.33 1rk7 h GLY 147 Ca -0.03 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1rk7 h GLY 147 CO 0.38 -0.21 -0.70 -0.62 0.00 0.00 0.00 176.54 175.39 1rk7 n VAL 148 N -5.33 -7.15 -2.34 4.60 0.31 -1.26 -4.11 118.33 103.05 1rk7 n VAL 148 Ca 0.08 2.19 -0.41 0.00 -0.01 0.00 0.00 64.34 66.19 1rk7 n VAL 148 Cb 0.34 -3.59 -0.03 0.00 -0.91 0.00 0.00 33.84 29.64 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 -1.13 3.35 -0.22 2.52 -1.09 -1.26 -4.09 121.20 119.28 1rk7 s ILE 149 Ca 0.00 1.24 -0.06 0.00 -2.23 0.00 0.00 60.65 59.60 1rk7 s ILE 149 Cb 0.00 -3.79 0.11 0.00 -1.58 0.00 0.00 42.46 37.20 1rk7 s ILE 149 CO 0.00 0.25 0.44 -0.83 -1.23 0.00 0.00 174.94 173.56 1rk7 s GLY 150 N -0.28 -0.44 0.22 6.18 0.00 0.11 -3.56 107.32 109.54 1rk7 s GLY 150 Ca 0.50 1.47 -0.30 0.00 0.00 0.00 0.00 44.72 46.38 1rk7 s GLY 150 CO 0.41 2.57 1.01 1.39 0.00 0.00 0.00 173.10 178.48 1rk7 n ILE 151 N 5.39 1.45 -4.53 0.90 2.08 -1.26 -1.58 119.36 121.82 1rk7 n ILE 151 Ca -0.07 -0.36 -0.25 0.00 0.56 0.00 0.00 62.75 62.62 1rk7 n ILE 151 Cb 0.50 -0.75 -0.09 0.00 -0.75 0.00 0.00 39.64 38.54 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 -0.63 2.89 -2.00 -1.39 0.00 -0.72 -4.83 121.76 115.09 1rk7 s ALA 152 Ca 0.67 -1.44 0.16 0.00 0.00 0.00 0.00 51.96 51.34 1rk7 s ALA 152 Cb -0.82 0.61 0.94 0.00 0.00 0.00 0.00 23.12 23.85 1rk7 s ALA 152 CO 0.56 -0.28 1.35 0.94 0.00 0.00 0.00 175.76 178.33