#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 0.01 -0.44 0.00 -1.32 -1.26 -5.03 115.64 107.60 1rk7 s THR 2 Ca 0.00 -0.07 -0.13 0.00 -1.21 0.00 0.00 61.69 60.28 1rk7 s THR 2 Cb 0.00 -0.54 0.06 0.00 -1.51 0.00 0.00 72.50 70.52 1rk7 s THR 2 CO 0.00 -0.15 0.33 -0.75 -2.21 0.00 0.00 174.62 171.84 1rk7 s LYS 3 N 2.10 2.86 0.83 7.08 2.36 -1.25 -2.75 119.74 130.97 1rk7 s LYS 3 Ca 0.02 -1.32 -0.10 0.00 -2.55 0.00 0.00 55.97 52.03 1rk7 s LYS 3 Cb -0.15 -3.98 0.14 0.00 -1.05 0.00 0.00 37.83 32.79 1rk7 s LYS 3 CO -0.07 -0.94 1.16 0.00 1.55 0.00 0.00 175.35 177.04 1rk7 s ALA 4 N 1.58 2.85 0.05 3.13 0.00 0.43 -2.23 121.76 127.57 1rk7 s ALA 4 Ca 0.04 -1.21 -0.05 0.00 0.00 0.00 0.00 51.96 50.73 1rk7 s ALA 4 Cb -0.23 -2.56 -0.01 0.00 0.00 0.00 0.00 23.12 20.31 1rk7 s ALA 4 CO 0.06 -1.85 0.09 0.08 0.00 0.00 0.00 175.76 174.13 1rk7 s VAL 5 N -3.52 0.15 -0.35 0.00 1.01 -0.87 -1.35 120.40 115.47 1rk7 s VAL 5 Ca 0.68 -1.24 0.04 0.00 0.00 0.00 0.00 61.98 61.46 1rk7 s VAL 5 Cb -0.07 -1.10 0.17 0.00 0.00 0.00 0.00 36.38 35.38 1rk7 s VAL 5 CO 0.48 -0.69 0.46 0.00 0.00 0.00 0.00 175.10 175.36 1rk7 s ALA 6 N -3.10 -1.27 -0.94 5.51 0.00 0.19 0.96 121.76 123.10 1rk7 s ALA 6 Ca -0.01 -0.20 -0.23 0.00 0.00 0.00 0.00 51.96 51.52 1rk7 s ALA 6 Cb 0.02 -2.27 0.06 0.00 0.00 0.00 0.00 23.12 20.94 1rk7 s ALA 6 CO -0.07 -2.03 1.33 0.54 0.00 0.00 0.00 175.76 175.54 1rk7 s VAL 7 N 1.95 4.08 -0.17 0.00 0.11 -1.24 0.12 120.40 125.25 1rk7 s VAL 7 Ca 0.14 -0.75 -0.42 0.00 -2.93 0.00 0.00 61.98 58.03 1rk7 s VAL 7 Cb -0.11 -4.96 -0.20 0.00 -1.53 0.00 0.00 36.38 29.58 1rk7 s VAL 7 CO -0.14 -1.81 1.23 0.18 -3.33 0.00 0.00 175.10 171.23 1rk7 n LEU 8 N 8.41 0.41 0.34 2.54 7.99 0.57 -4.31 117.00 132.96 1rk7 n LEU 8 Ca 0.25 1.15 -0.13 0.00 -0.01 0.00 0.00 56.01 57.26 1rk7 n LEU 8 Cb 0.50 -0.89 -0.06 0.00 -0.11 0.00 0.00 43.42 42.86 1rk7 n LEU 8 CO 0.63 -1.50 0.49 0.50 -1.51 0.00 0.00 177.39 176.01 1rk7 h LYS 9 N 3.63 -0.83 -3.85 3.23 3.11 -1.85 -3.35 116.57 116.66 1rk7 h LYS 9 Ca -0.47 0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.42 1rk7 h LYS 9 Cb 1.38 0.19 0.00 0.00 -1.00 0.00 0.00 32.23 32.80 1rk7 h LYS 9 CO 0.75 -0.55 -0.75 0.41 -2.81 0.00 0.00 179.45 176.50 1rk7 n GLY 10 N -1.24 -5.09 0.37 5.01 0.00 -1.25 -4.51 105.19 98.48 1rk7 n GLY 10 Ca -0.11 -0.20 0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 3.32 0.00 0.00 1.61 1.82 -1.79 -3.42 116.42 117.96 1rk7 h ASP 11 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1rk7 h ASP 11 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1rk7 h ASP 11 CO 0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 1rk7 n GLY 12 N -1.39 0.66 0.00 -0.78 0.00 -1.26 -4.94 105.19 97.48 1rk7 n GLY 12 Ca 0.04 0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.11 1rk7 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rk7 n PRO 13 N 0.00 0.75 -4.03 1.61 -0.04 -1.26 -4.70 135.00 127.33 1rk7 n PRO 13 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1rk7 n PRO 13 Cb 0.00 -1.09 -0.11 0.00 -0.04 0.00 0.00 33.50 32.26 1rk7 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1rk7 s VAL 14 N -2.00 0.33 -0.11 0.52 1.01 -1.26 -3.05 120.40 115.84 1rk7 s VAL 14 Ca 0.06 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1rk7 s VAL 14 Cb 0.03 -0.57 0.04 0.00 0.00 0.00 0.00 36.38 35.87 1rk7 s VAL 14 CO 0.05 -0.51 0.72 1.67 0.00 0.00 0.00 175.10 177.03 1rk7 n GLN 15 N 1.34 0.13 -1.14 2.72 7.27 -0.20 -3.93 117.38 123.56 1rk7 n GLN 15 Ca -0.22 -0.25 -0.29 0.00 0.07 0.00 0.00 57.00 56.31 1rk7 n GLN 15 Cb 0.56 0.03 0.17 0.00 2.41 0.00 0.00 30.24 33.40 1rk7 n GLN 15 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1rk7 s GLY 16 N -0.11 1.58 -0.21 1.69 0.00 -1.26 -4.32 107.32 104.70 1rk7 s GLY 16 Ca 0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 44.72 44.44 1rk7 s GLY 16 CO -0.01 0.33 0.16 -0.42 0.00 0.00 0.00 173.10 173.15 1rk7 s ILE 17 N -2.93 -0.19 0.29 0.90 1.01 -0.26 0.21 121.20 120.23 1rk7 s ILE 17 Ca 0.65 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 61.07 1rk7 s ILE 17 Cb -0.19 -0.70 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 1rk7 s ILE 17 CO 0.58 -0.33 0.45 0.27 0.00 0.00 0.00 174.94 175.91 1rk7 s ILE 18 N 2.22 5.15 -0.07 2.92 -5.25 0.12 -2.15 121.20 124.13 1rk7 s ILE 18 Ca 0.05 -0.74 -0.03 0.00 -0.99 0.00 0.00 60.65 58.95 1rk7 s ILE 18 Cb -0.16 -3.85 0.04 0.00 2.95 0.00 0.00 42.46 41.45 1rk7 s ILE 18 CO -0.16 -0.44 0.14 0.20 -1.79 0.00 0.00 174.94 172.89 1rk7 s ASN 19 N -4.01 0.70 -0.54 4.36 0.01 0.70 0.57 114.94 116.73 1rk7 s ASN 19 Ca 0.37 0.28 -0.18 0.00 -0.71 0.00 0.00 52.86 52.61 1rk7 s ASN 19 Cb -0.09 0.18 0.09 0.00 0.41 0.00 0.00 41.25 41.84 1rk7 s ASN 19 CO 0.32 -0.23 0.62 -0.36 -1.51 0.00 0.00 177.10 175.94 1rk7 s PHE 20 N 2.11 3.07 -0.24 2.20 0.40 -0.45 -3.09 117.98 121.97 1rk7 s PHE 20 Ca 0.02 -0.86 -0.06 0.00 -0.60 0.00 0.00 56.93 55.43 1rk7 s PHE 20 Cb -0.12 -3.73 -0.02 0.00 0.51 0.00 0.00 43.02 39.66 1rk7 s PHE 20 CO -0.05 -1.12 0.04 -2.00 0.70 0.00 0.00 175.22 172.78 1rk7 s GLU 21 N 2.42 3.52 -0.77 0.44 2.12 -0.94 0.16 118.70 125.65 1rk7 s GLU 21 Ca 0.11 -0.55 0.03 0.00 0.36 0.00 0.00 54.97 54.91 1rk7 s GLU 21 Cb -0.23 -3.23 0.19 0.00 0.26 0.00 0.00 34.13 31.12 1rk7 s GLU 21 CO 0.08 -0.21 0.61 0.94 -0.54 0.00 0.00 175.26 176.13 1rk7 n GLN 22 N 4.88 2.14 -0.93 4.30 7.27 -1.11 0.93 117.38 134.86 1rk7 n GLN 22 Ca -0.17 -4.50 -0.28 0.00 0.07 0.00 0.00 57.00 52.12 1rk7 n GLN 22 Cb 0.51 -2.33 -0.02 0.00 2.41 0.00 0.00 30.24 30.81 1rk7 n GLN 22 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1rk7 n LYS 23 N 1.98 2.60 0.09 3.69 5.02 -1.26 -3.07 118.16 127.20 1rk7 n LYS 23 Ca 0.21 -1.71 0.00 0.00 -2.02 0.00 0.00 58.31 54.79 1rk7 n LYS 23 Cb 0.36 -2.57 0.00 0.00 -0.02 0.00 0.00 35.03 32.79 1rk7 n LYS 23 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1rk7 n GLU 24 N 4.07 0.00 -0.01 1.97 0.00 -1.26 -5.01 120.64 120.39 1rk7 n GLU 24 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.71 1rk7 n GLU 24 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.61 1rk7 n GLU 24 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1rk7 n SER 25 N -2.90 0.00 -0.84 4.31 2.88 -1.18 -4.59 113.62 111.30 1rk7 n SER 25 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1rk7 n SER 25 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1rk7 n SER 25 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1rk7 n ASN 26 N 0.00 -0.44 0.00 -3.46 2.85 -1.26 -5.05 115.26 107.91 1rk7 n ASN 26 Ca 0.00 -1.65 0.00 0.00 -0.11 0.00 0.00 54.58 52.82 1rk7 n ASN 26 Cb 0.00 0.12 0.00 0.00 1.24 0.00 0.00 39.78 41.14 1rk7 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1rk7 n GLY 27 N 0.04 5.35 3.79 8.20 0.00 -1.26 -5.16 105.19 116.15 1rk7 n GLY 27 Ca -0.14 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 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 1.95 1.06 -0.21 1.61 0.04 -1.26 -4.80 135.00 133.40 1rk7 s PRO 28 Ca 0.00 0.26 -0.01 0.00 0.04 0.00 0.00 61.00 61.28 1rk7 s PRO 28 Cb 0.00 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.72 1rk7 s PRO 28 CO 0.00 -2.24 -0.11 0.08 0.04 0.00 0.00 177.00 174.77 1rk7 s VAL 29 N -3.29 2.76 -0.86 -0.36 1.01 0.86 -4.59 120.40 115.92 1rk7 s VAL 29 Ca 0.64 -0.76 -0.25 0.00 0.00 0.00 0.00 61.98 61.61 1rk7 s VAL 29 Cb -0.14 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 1rk7 s VAL 29 CO 0.53 0.43 1.68 -0.54 0.00 0.00 0.00 175.10 177.21 1rk7 s LYS 30 N 1.38 2.97 0.02 2.72 1.02 0.26 -3.06 119.74 125.05 1rk7 s LYS 30 Ca 0.05 -0.36 -0.25 0.00 0.02 0.00 0.00 55.97 55.43 1rk7 s LYS 30 Cb -0.14 -4.89 -0.05 0.00 -0.52 0.00 0.00 37.83 32.23 1rk7 s LYS 30 CO -0.07 -2.72 0.77 0.08 -0.92 0.00 0.00 175.35 172.49 1rk7 s VAL 31 N 7.72 4.80 0.04 3.17 1.01 0.58 -2.22 120.40 135.50 1rk7 s VAL 31 Ca 0.57 1.63 -0.28 0.00 0.00 0.00 0.00 61.98 63.91 1rk7 s VAL 31 Cb -0.06 -4.12 0.09 0.00 0.00 0.00 0.00 36.38 32.29 1rk7 s VAL 31 CO 0.03 0.33 0.91 -1.66 0.00 0.00 0.00 175.10 174.70 1rk7 s TRP 32 N 0.19 -0.29 -1.54 5.22 -2.14 -1.18 -0.29 118.94 118.92 1rk7 s TRP 32 Ca 0.40 0.11 0.00 0.00 2.66 0.00 0.00 56.10 59.26 1rk7 s TRP 32 Cb -0.20 0.57 0.00 0.00 -3.10 0.00 0.00 33.47 30.73 1rk7 s TRP 32 CO 0.22 -0.62 0.00 0.41 -2.66 0.00 0.00 176.95 174.31 1rk7 n GLY 33 N -0.31 -0.88 3.45 3.67 0.00 -1.14 -0.21 105.19 109.77 1rk7 n GLY 33 Ca -0.08 -0.84 -0.06 0.00 0.00 0.00 0.00 46.02 45.05 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 -4.00 -0.69 0.65 1.61 0.01 -0.92 -2.34 113.70 108.03 1rk7 s SER 34 Ca 0.00 1.26 -0.08 0.00 1.31 0.00 0.00 55.95 58.44 1rk7 s SER 34 Cb 0.00 1.67 0.02 0.00 0.21 0.00 0.00 66.02 67.91 1rk7 s SER 34 CO 0.00 -0.22 0.99 -0.63 0.41 0.00 0.00 173.24 173.79 1rk7 s ILE 35 N 2.51 3.45 -0.20 1.44 1.01 0.34 -1.10 121.20 128.65 1rk7 s ILE 35 Ca -0.05 0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.71 1rk7 s ILE 35 Cb -0.11 -3.42 0.10 0.00 0.01 0.00 0.00 42.46 39.04 1rk7 s ILE 35 CO -0.16 -0.49 0.41 -0.54 0.00 0.00 0.00 174.94 174.17 1rk7 s LYS 36 N -5.17 0.32 0.00 2.79 1.02 -1.26 -3.41 119.74 114.03 1rk7 s LYS 36 Ca 0.56 0.96 0.00 0.00 0.02 0.00 0.00 55.97 57.51 1rk7 s LYS 36 Cb -0.11 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.42 1rk7 s LYS 36 CO 0.48 -0.31 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 1rk7 n GLY 37 N 5.39 3.20 0.00 -3.33 0.00 -1.26 -1.03 105.19 108.16 1rk7 n GLY 37 Ca -0.08 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -4.03 0.99 4.32 -1.17 -4.81 117.00 112.29 1rk7 n LEU 38 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.87 1rk7 n LEU 38 Cb 0.00 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 1rk7 n LEU 38 CO 0.00 -1.26 -0.39 0.42 -1.22 0.00 0.00 177.39 174.94 1rk7 s THR 39 N -0.59 0.40 -0.31 -5.08 -4.23 -1.26 -3.62 115.64 100.94 1rk7 s THR 39 Ca 0.00 -1.02 -0.35 0.00 -1.18 0.00 0.00 61.69 59.14 1rk7 s THR 39 Cb 0.00 -0.49 -0.12 0.00 1.34 0.00 0.00 72.50 73.23 1rk7 s THR 39 CO 0.00 -0.42 2.11 -1.84 -0.54 0.00 0.00 174.62 173.93 1rk7 n GLU 40 N 1.52 1.23 0.00 3.99 -0.00 -1.26 -4.37 120.64 121.75 1rk7 n GLU 40 Ca -0.23 0.37 0.00 0.00 -0.00 0.00 0.00 57.16 57.30 1rk7 n GLU 40 Cb 0.55 -2.46 0.00 0.00 -0.00 0.00 0.00 31.44 29.53 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 6.03 2.31 3.78 -1.84 0.00 -1.26 -4.90 105.19 109.31 1rk7 n GLY 41 Ca 0.37 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 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 3.68 0.21 0.99 1.43 -1.26 -1.70 118.68 122.02 1rk7 s LEU 42 Ca 0.00 2.05 -0.00 0.00 -1.03 0.00 0.00 54.13 55.15 1rk7 s LEU 42 Cb 0.00 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.61 1rk7 s LEU 42 CO 0.00 -1.19 0.10 -1.00 0.23 0.00 0.00 176.35 174.50 1rk7 s HIS 43 N -2.00 1.23 0.25 0.29 3.76 0.25 -4.16 115.29 114.91 1rk7 s HIS 43 Ca 0.69 -1.28 -0.03 0.00 -0.15 0.00 0.00 55.06 54.29 1rk7 s HIS 43 Cb -0.21 -0.66 0.06 0.00 1.11 0.00 0.00 32.58 32.88 1rk7 s HIS 43 CO 0.29 -0.50 0.34 0.41 -0.85 0.00 0.00 174.74 174.42 1rk7 n GLY 44 N -0.30 -0.69 3.87 -2.22 0.00 0.35 -3.08 105.19 103.12 1rk7 n GLY 44 Ca -0.00 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 1rk7 n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rk7 s PHE 45 N -1.48 2.18 -0.41 1.61 0.08 -1.26 -4.18 117.98 114.53 1rk7 s PHE 45 Ca 0.20 0.58 0.08 0.00 0.12 0.00 0.00 56.93 57.91 1rk7 s PHE 45 Cb -0.01 -3.72 0.28 0.00 -0.57 0.00 0.00 43.02 39.00 1rk7 s PHE 45 CO 0.14 -2.36 0.70 -2.39 -0.10 0.00 0.00 175.22 171.21 1rk7 n HIS 46 N -3.66 -1.05 -4.00 0.36 1.44 -1.25 -3.06 115.22 103.98 1rk7 n HIS 46 Ca 0.11 -3.14 -0.31 0.00 -2.01 0.00 0.00 57.72 52.37 1rk7 n HIS 46 Cb 0.60 0.19 -0.16 0.00 0.12 0.00 0.00 29.99 30.75 1rk7 n HIS 46 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1rk7 s VAL 47 N -0.98 1.73 -0.38 0.61 1.01 -1.26 -3.47 120.40 117.66 1rk7 s VAL 47 Ca 0.34 -1.13 0.11 0.00 0.00 0.00 0.00 61.98 61.30 1rk7 s VAL 47 Cb 0.24 -1.82 0.34 0.00 0.00 0.00 0.00 36.38 35.14 1rk7 s VAL 47 CO -0.12 0.12 0.76 1.41 0.00 0.00 0.00 175.10 177.27 1rk7 n HIS 48 N 4.64 -0.15 -1.50 5.22 8.25 -1.25 -4.94 115.22 125.49 1rk7 n HIS 48 Ca -0.14 -3.64 -0.37 0.00 -0.26 0.00 0.00 57.72 53.31 1rk7 n HIS 48 Cb 0.46 -0.21 -0.17 0.00 1.12 0.00 0.00 29.99 31.20 1rk7 n HIS 48 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1rk7 n GLU 49 N 0.32 0.01 -3.64 -0.41 4.07 -1.26 -2.82 120.64 116.91 1rk7 n GLU 49 Ca 0.23 -0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.21 1rk7 n GLU 49 Cb 0.66 -1.42 -0.07 0.00 -0.06 0.00 0.00 31.44 30.55 1rk7 n GLU 49 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1rk7 s GLU 50 N 8.59 0.79 0.20 5.31 -6.30 0.44 -4.11 118.70 123.62 1rk7 s GLU 50 Ca 1.35 1.03 0.00 0.00 -2.50 0.00 0.00 54.97 54.85 1rk7 s GLU 50 Cb -1.17 0.33 0.00 0.00 0.00 0.00 0.00 34.13 33.30 1rk7 s GLU 50 CO 0.50 -0.11 0.00 -1.91 0.02 0.00 0.00 175.26 173.76 1rk7 n GLU 51 N 3.11 0.00 -1.02 4.30 2.13 -1.26 -4.04 120.64 123.86 1rk7 n GLU 51 Ca -0.16 0.00 0.14 0.00 0.66 0.00 0.00 57.16 57.80 1rk7 n GLU 51 Cb 0.56 -0.18 -0.04 0.00 0.27 0.00 0.00 31.44 32.05 1rk7 n GLU 51 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1rk7 n ASP 52 N -3.41 -6.06 -0.23 4.31 -0.08 -1.26 -3.53 116.55 106.29 1rk7 n ASP 52 Ca 0.00 0.49 0.11 0.00 -1.51 0.00 0.00 54.79 53.88 1rk7 n ASP 52 Cb 0.00 -3.13 -0.03 0.00 2.34 0.00 0.00 41.12 40.30 1rk7 n ASP 52 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1rk7 n ASN 53 N -3.41 1.42 -0.05 1.67 0.23 -1.26 -4.50 115.26 109.36 1rk7 n ASN 53 Ca -0.00 -1.18 -0.11 0.00 -0.53 0.00 0.00 54.58 52.76 1rk7 n ASN 53 Cb 0.47 0.70 -0.04 0.00 -2.08 0.00 0.00 39.78 38.83 1rk7 n ASN 53 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 1rk7 n THR 54 N -0.82 0.62 -0.74 5.53 5.66 -1.26 -5.13 114.28 118.13 1rk7 n THR 54 Ca 0.07 -0.12 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1rk7 n THR 54 Cb 0.39 -1.66 0.00 0.00 -1.55 0.00 0.00 70.33 67.51 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 -3.49 -2.91 -2.60 1.79 0.00 -1.23 -5.06 120.51 107.00 1rk7 n ALA 55 Ca -0.20 0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.26 1rk7 n ALA 55 Cb 0.62 -0.49 0.04 0.00 0.00 0.00 0.00 19.45 19.62 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 0.17 -0.03 3.47 0.00 0.00 -1.26 -5.02 105.19 102.51 1rk7 n GLY 56 Ca 0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.88 0.00 0.01 0.00 -2.24 -1.26 -5.12 114.28 103.78 1rk7 n THR 58 Ca -0.16 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.60 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 -1.20 -0.57 0.00 0.00 175.07 173.30 1rk7 n SER 59 N 0.00 0.75 0.00 3.42 7.64 -1.26 -4.87 113.62 119.30 1rk7 n SER 59 Ca 0.00 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1rk7 n SER 59 Cb 0.00 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 1rk7 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rk7 n ALA 60 N -3.20 0.00 -3.39 -0.43 0.00 -1.26 -4.07 120.51 108.16 1rk7 n ALA 60 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.25 1rk7 n ALA 60 Cb 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.44 1rk7 n ALA 60 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rk7 s GLY 61 N 0.00 -0.09 -0.25 0.00 0.00 -1.26 -5.03 107.32 100.68 1rk7 s GLY 61 Ca 0.00 -0.53 -0.29 0.00 0.00 0.00 0.00 44.72 43.90 1rk7 s GLY 61 CO 0.00 2.67 1.32 2.56 0.00 0.00 0.00 173.10 179.65 1rk7 s PRO 62 N 2.07 3.99 -0.00 2.90 0.04 -1.26 -4.44 135.00 138.29 1rk7 s PRO 62 Ca 0.12 1.40 -0.02 0.00 0.04 0.00 0.00 61.00 62.54 1rk7 s PRO 62 Cb -0.14 -3.86 -0.01 0.00 0.04 0.00 0.00 34.50 30.52 1rk7 s PRO 62 CO -0.24 -1.03 -0.05 0.72 0.04 0.00 0.00 177.00 176.45 1rk7 n HIS 63 N 7.43 0.00 -2.77 0.56 8.25 -1.26 -5.09 115.22 122.34 1rk7 n HIS 63 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1rk7 n HIS 63 Cb 0.46 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.50 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 -2.98 -1.19 -2.87 4.41 3.01 -1.26 -4.45 117.46 112.13 1rk7 n PHE 64 Ca -0.02 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.02 1rk7 n PHE 64 Cb 0.07 0.15 -0.04 0.00 -0.01 0.00 0.00 39.48 39.65 1rk7 n PHE 64 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1rk7 s ASN 65 N -4.00 6.88 -1.08 4.37 2.47 -1.26 -4.96 114.94 117.35 1rk7 s ASN 65 Ca 0.00 1.09 -0.22 0.00 0.42 0.00 0.00 52.86 54.15 1rk7 s ASN 65 Cb 0.00 -2.45 -0.00 0.00 -1.45 0.00 0.00 41.25 37.35 1rk7 s ASN 65 CO 0.00 -0.50 1.75 -2.16 -3.72 0.00 0.00 177.10 172.47 1rk7 s PRO 66 N 2.72 3.16 0.01 0.43 0.04 -1.26 -3.40 135.00 136.70 1rk7 s PRO 66 Ca 0.36 -1.09 0.00 0.00 0.04 0.00 0.00 61.00 60.31 1rk7 s PRO 66 Cb -0.15 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 29.09 1rk7 s PRO 66 CO 0.08 -2.92 0.00 1.28 0.04 0.00 0.00 177.00 175.48 1rk7 n LEU 67 N 11.36 -0.11 0.00 -3.56 4.77 -1.26 -5.08 117.00 123.11 1rk7 n LEU 67 Ca 0.41 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1rk7 n LEU 67 Cb 0.48 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1rk7 n LEU 67 CO 0.67 -0.06 0.00 -0.24 -1.33 0.00 0.00 177.39 176.43 1rk7 n SER 68 N -2.23 0.00 0.00 -1.43 2.88 -1.22 -4.66 113.62 106.96 1rk7 n SER 68 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1rk7 n SER 68 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1rk7 n SER 68 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1rk7 n ARG 69 N 0.00 0.00 -3.61 -1.46 5.12 -1.26 -3.37 116.66 112.08 1rk7 n ARG 69 Ca 0.00 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.91 1rk7 n ARG 69 Cb 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.29 1rk7 n ARG 69 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1rk7 s LYS 70 N 0.00 0.35 0.68 5.56 -2.85 -1.25 -4.92 119.74 117.32 1rk7 s LYS 70 Ca 0.00 -0.17 -0.05 0.00 -1.00 0.00 0.00 55.97 54.75 1rk7 s LYS 70 Cb 0.00 0.14 0.07 0.00 -2.06 0.00 0.00 37.83 35.97 1rk7 s LYS 70 CO 0.00 -0.16 0.97 -1.58 0.10 0.00 0.00 175.35 174.68 1rk7 s HIS 71 N -2.42 2.71 0.00 1.78 5.65 -1.24 -2.65 115.29 119.13 1rk7 s HIS 71 Ca 0.12 0.26 0.00 0.00 0.25 0.00 0.00 55.06 55.69 1rk7 s HIS 71 Cb 0.02 -3.11 0.00 0.00 -1.18 0.00 0.00 32.58 28.31 1rk7 s HIS 71 CO -0.04 -1.37 0.00 0.41 -0.65 0.00 0.00 174.74 173.09 1rk7 n GLY 72 N -2.81 -0.89 0.00 1.59 0.00 -1.26 -4.89 105.19 96.93 1rk7 n GLY 72 Ca 0.09 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.17 2.67 1.96 -0.02 0.00 -1.26 -4.21 105.19 104.16 1rk7 n GLY 73 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 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 1.25 -3.74 1.61 -0.04 -1.26 -4.72 135.00 128.09 1rk7 n PRO 74 Ca 0.00 -0.50 -0.20 0.00 -0.04 0.00 0.00 63.50 62.76 1rk7 n PRO 74 Cb 0.00 -1.62 0.01 0.00 -0.04 0.00 0.00 33.50 31.84 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 2.29 -0.67 -0.04 0.54 -0.00 -1.26 -4.83 118.16 114.20 1rk7 n LYS 75 Ca 0.21 -0.13 -0.03 0.00 -0.00 0.00 0.00 58.31 58.35 1rk7 n LYS 75 Cb 0.58 -0.72 -0.01 0.00 -0.00 0.00 0.00 35.03 34.88 1rk7 n LYS 75 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1rk7 n ASP 76 N -0.60 0.92 -0.52 -5.58 -0.08 -1.26 -4.69 116.55 104.74 1rk7 n ASP 76 Ca -0.07 0.28 0.05 0.00 -1.51 0.00 0.00 54.79 53.53 1rk7 n ASP 76 Cb 0.28 -0.64 0.12 0.00 2.34 0.00 0.00 41.12 43.22 1rk7 n ASP 76 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1rk7 n GLU 77 N -3.44 2.85 -4.65 -0.67 4.07 -1.26 -5.01 120.64 112.54 1rk7 n GLU 77 Ca -0.05 -1.94 -0.30 0.00 -0.06 0.00 0.00 57.16 54.81 1rk7 n GLU 77 Cb 0.20 -1.22 -0.08 0.00 -0.06 0.00 0.00 31.44 30.28 1rk7 n GLU 77 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1rk7 s GLU 78 N -1.00 2.09 -0.23 5.31 1.03 -1.26 -5.10 118.70 119.54 1rk7 s GLU 78 Ca 0.19 -2.31 -0.03 0.00 0.03 0.00 0.00 54.97 52.85 1rk7 s GLU 78 Cb 0.10 -1.11 0.11 0.00 -0.80 0.00 0.00 34.13 32.43 1rk7 s GLU 78 CO 0.13 -0.42 0.28 1.03 -1.33 0.00 0.00 175.26 174.95 1rk7 s ARG 79 N -3.80 0.26 -0.18 -4.83 3.00 -1.08 -4.72 118.95 107.60 1rk7 s ARG 79 Ca 0.13 0.28 -0.04 0.00 0.00 0.00 0.00 55.73 56.10 1rk7 s ARG 79 Cb 0.02 -0.92 -0.08 0.00 0.00 0.00 0.00 34.95 33.98 1rk7 s ARG 79 CO 0.08 -0.69 2.98 -2.39 0.00 0.00 0.00 175.30 175.28 1rk7 n HIS 80 N 5.33 0.68 -3.41 -0.53 1.44 -1.26 -3.65 115.22 113.83 1rk7 n HIS 80 Ca -0.04 -1.63 -0.19 0.00 -2.01 0.00 0.00 57.72 53.84 1rk7 n HIS 80 Cb 0.49 -1.32 -0.03 0.00 0.12 0.00 0.00 29.99 29.25 1rk7 n HIS 80 CO 0.00 0.00 0.00 1.55 -2.81 0.00 0.00 176.34 175.08 1rk7 n VAL 81 N 1.62 -0.05 0.00 0.61 3.14 -1.26 -4.38 118.33 118.01 1rk7 n VAL 81 Ca 0.38 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.76 1rk7 n VAL 81 Cb 0.71 -0.31 0.00 0.00 -1.06 0.00 0.00 33.84 33.18 1rk7 n VAL 81 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1rk7 n GLY 82 N -0.77 0.00 2.58 7.55 0.00 -1.26 -4.34 105.19 108.95 1rk7 n GLY 82 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 0.18 0.01 1.61 9.92 -1.26 -4.55 116.55 122.45 1rk7 n ASP 83 Ca 0.00 0.85 0.00 0.00 -0.53 0.00 0.00 54.79 55.11 1rk7 n ASP 83 Cb 0.00 -0.66 0.00 0.00 -0.64 0.00 0.00 41.12 39.82 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 1.47 -0.11 0.00 0.64 0.00 -1.26 -4.98 117.00 112.76 1rk7 n LEU 84 Ca 0.16 0.05 0.00 0.00 0.00 0.00 0.00 56.01 56.22 1rk7 n LEU 84 Cb 0.04 0.28 0.00 0.00 0.00 0.00 0.00 43.42 43.73 1rk7 n LEU 84 CO 0.49 -0.14 0.00 0.61 0.00 0.00 0.00 177.39 178.34 1rk7 n GLY 85 N -1.17 2.92 3.72 -3.96 0.00 -1.26 -4.99 105.19 100.45 1rk7 n GLY 85 Ca 0.00 -2.03 -0.40 0.00 0.00 0.00 0.00 46.02 43.59 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 0.00 7.07 -0.01 1.61 0.01 -1.26 -4.48 114.94 117.88 1rk7 s ASN 86 Ca 0.00 1.29 -0.06 0.00 -0.71 0.00 0.00 52.86 53.38 1rk7 s ASN 86 Cb 0.00 -2.44 -0.04 0.00 0.41 0.00 0.00 41.25 39.17 1rk7 s ASN 86 CO 0.00 -0.14 0.23 0.68 -1.51 0.00 0.00 177.10 176.36 1rk7 s VAL 87 N 0.82 5.36 0.14 1.60 -7.23 -1.18 -4.87 120.40 115.06 1rk7 s VAL 87 Ca 0.40 0.08 0.09 0.00 -1.81 0.00 0.00 61.98 60.74 1rk7 s VAL 87 Cb -0.18 -3.54 -0.04 0.00 0.56 0.00 0.00 36.38 33.18 1rk7 s VAL 87 CO 0.20 0.39 -0.21 -0.89 -0.31 0.00 0.00 175.10 174.28 1rk7 s THR 88 N -1.27 1.89 0.58 5.32 2.01 -1.26 0.86 115.64 123.77 1rk7 s THR 88 Ca 0.26 -1.79 -0.07 0.00 0.31 0.00 0.00 61.69 60.40 1rk7 s THR 88 Cb -0.13 -1.79 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 1rk7 s THR 88 CO 0.15 -0.16 0.92 0.00 -0.69 0.00 0.00 174.62 174.84 1rk7 s ALA 89 N -1.59 3.25 0.00 7.40 0.00 -0.69 -4.32 121.76 125.80 1rk7 s ALA 89 Ca 0.13 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1rk7 s ALA 89 Cb -0.08 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1rk7 s ALA 89 CO 0.06 -0.73 0.00 -3.47 0.00 0.00 0.00 175.76 171.63 1rk7 n ASP 90 N -2.58 0.00 0.00 0.00 2.03 -0.16 -4.29 116.55 111.55 1rk7 n ASP 90 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1rk7 n ASP 90 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 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 0.52 -0.82 -0.67 2.85 -1.26 -4.74 118.16 114.04 1rk7 n LYS 91 Ca 0.00 -0.65 -0.02 0.00 -1.05 0.00 0.00 58.31 56.59 1rk7 n LYS 91 Cb 0.00 -0.59 -0.02 0.00 -0.65 0.00 0.00 35.03 33.76 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 -0.09 -0.18 0.00 -5.58 8.00 -1.26 -4.80 116.55 112.63 1rk7 n ASP 92 Ca 0.00 -1.64 0.00 0.00 0.71 0.00 0.00 54.79 53.86 1rk7 n ASP 92 Cb 0.44 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1rk7 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rk7 n GLY 93 N 0.07 2.47 3.46 0.44 0.00 -1.24 -4.47 105.19 105.92 1rk7 n GLY 93 Ca -0.08 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.65 1.61 0.31 -1.26 -4.12 118.33 111.22 1rk7 n VAL 94 Ca 0.00 -0.09 -0.39 0.00 -0.01 0.00 0.00 64.34 63.86 1rk7 n VAL 94 Cb 0.00 -0.41 -0.12 0.00 -0.91 0.00 0.00 33.84 32.41 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 7.33 3.28 -0.02 3.52 0.00 -1.22 -0.99 121.76 133.66 1rk7 s ALA 95 Ca 1.34 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 51.90 1rk7 s ALA 95 Cb -1.17 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1rk7 s ALA 95 CO 0.50 -0.93 -0.00 0.34 0.00 0.00 0.00 175.76 175.66 1rk7 s ASP 96 N 1.61 5.11 0.34 0.00 -1.08 -1.26 0.13 116.67 121.52 1rk7 s ASP 96 Ca 0.04 0.02 0.09 0.00 -0.52 0.00 0.00 52.55 52.18 1rk7 s ASP 96 Cb -0.17 -1.35 -0.05 0.00 -1.46 0.00 0.00 42.92 39.89 1rk7 s ASP 96 CO 0.06 0.30 0.03 -0.69 0.52 0.00 0.00 175.17 175.39 1rk7 s VAL 97 N -1.04 2.72 -0.35 1.11 1.01 -0.99 -4.87 120.40 117.99 1rk7 s VAL 97 Ca 0.18 -1.94 -0.06 0.00 0.00 0.00 0.00 61.98 60.17 1rk7 s VAL 97 Cb -0.11 -2.82 0.19 0.00 0.00 0.00 0.00 36.38 33.64 1rk7 s VAL 97 CO 0.08 -0.21 1.00 -0.55 0.00 0.00 0.00 175.10 175.42 1rk7 s SER 98 N -3.73 -0.52 0.22 3.32 0.15 -1.19 -2.89 113.70 109.06 1rk7 s SER 98 Ca 0.35 -0.39 0.02 0.00 0.70 0.00 0.00 55.95 56.63 1rk7 s SER 98 Cb -0.01 0.67 -0.05 0.00 -1.71 0.00 0.00 66.02 64.93 1rk7 s SER 98 CO 0.20 -0.04 0.02 -0.63 1.20 0.00 0.00 173.24 173.99 1rk7 s ILE 99 N 1.58 0.79 -0.32 6.45 1.01 0.60 -4.99 121.20 126.33 1rk7 s ILE 99 Ca 0.18 -2.00 -0.01 0.00 0.00 0.00 0.00 60.65 58.82 1rk7 s ILE 99 Cb 0.05 -2.35 0.11 0.00 0.01 0.00 0.00 42.46 40.28 1rk7 s ILE 99 CO -0.12 -0.29 0.13 -0.70 0.00 0.00 0.00 174.94 173.96 1rk7 s GLU 100 N -3.92 0.60 0.07 2.79 2.12 -1.26 -0.30 118.70 118.79 1rk7 s GLU 100 Ca 0.29 -1.02 -0.14 0.00 0.36 0.00 0.00 54.97 54.46 1rk7 s GLU 100 Cb 0.06 -1.73 -0.06 0.00 0.26 0.00 0.00 34.13 32.67 1rk7 s GLU 100 CO 0.08 -1.03 0.46 0.34 -0.54 0.00 0.00 175.26 174.57 1rk7 s ASP 101 N 1.59 6.80 -0.01 -1.70 -1.08 -1.17 -4.84 116.67 116.26 1rk7 s ASP 101 Ca 0.11 0.98 -0.00 0.00 -0.52 0.00 0.00 52.55 53.12 1rk7 s ASP 101 Cb -0.18 -2.25 -0.00 0.00 -1.46 0.00 0.00 42.92 39.02 1rk7 s ASP 101 CO -0.24 0.22 -0.01 -1.54 0.52 0.00 0.00 175.17 174.12 1rk7 n SER 102 N 1.30 3.30 0.06 -0.34 3.41 -1.26 -0.10 113.62 119.99 1rk7 n SER 102 Ca -0.10 -0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.72 1rk7 n SER 102 Cb 0.52 -0.01 0.62 0.00 -0.26 0.00 0.00 64.21 65.07 1rk7 n SER 102 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1rk7 h VAL 103 N -0.00 0.18 -2.65 -3.33 2.07 -1.95 -3.39 116.25 107.18 1rk7 h VAL 103 Ca -0.02 0.00 -0.60 0.00 0.82 0.00 0.00 66.70 66.90 1rk7 h VAL 103 Cb 1.02 0.42 -0.13 0.00 -1.52 0.00 0.00 31.29 31.08 1rk7 h VAL 103 CO -0.00 0.00 -0.70 0.27 0.02 0.00 0.00 177.57 177.15 1rk7 s ILE 104 N -4.44 3.18 0.10 4.57 -5.25 -1.26 -4.99 121.20 113.11 1rk7 s ILE 104 Ca -0.03 -1.83 -0.11 0.00 -0.99 0.00 0.00 60.65 57.69 1rk7 s ILE 104 Cb 0.13 -2.63 0.01 0.00 2.95 0.00 0.00 42.46 42.92 1rk7 s ILE 104 CO 0.45 -0.23 0.26 -0.55 -1.79 0.00 0.00 174.94 173.07 1rk7 s SER 105 N -3.18 0.02 0.49 4.36 0.15 -1.26 -4.57 113.70 109.69 1rk7 s SER 105 Ca 0.28 -0.58 0.26 0.00 0.70 0.00 0.00 55.95 56.61 1rk7 s SER 105 Cb -0.08 0.38 1.21 0.00 -1.71 0.00 0.00 66.02 65.83 1rk7 s SER 105 CO 0.17 -0.78 1.96 -0.07 1.20 0.00 0.00 173.24 175.71 1rk7 h LEU 106 N 2.63 0.00 -8.94 3.45 3.38 -1.94 -0.71 115.31 113.18 1rk7 h LEU 106 Ca -0.34 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.22 1rk7 h LEU 106 Cb 1.22 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.83 1rk7 h LEU 106 CO 0.53 0.17 -0.55 -0.44 0.09 0.00 0.00 178.44 178.24 1rk7 s SER 107 N -6.14 1.46 0.00 -0.43 0.01 -1.26 -3.68 113.70 103.66 1rk7 s SER 107 Ca -0.01 -1.58 0.00 0.00 1.31 0.00 0.00 55.95 55.66 1rk7 s SER 107 Cb 0.12 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.77 1rk7 s SER 107 CO 0.61 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1rk7 n GLY 108 N -0.57 0.78 1.87 3.44 0.00 -1.26 -4.04 105.19 105.41 1rk7 n GLY 108 Ca 0.02 -1.69 -0.17 0.00 0.00 0.00 0.00 46.02 44.18 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 3.70 0.09 1.61 2.03 -1.26 -4.24 116.55 118.48 1rk7 n ASP 109 Ca 0.00 -3.14 0.00 0.00 0.52 0.00 0.00 54.79 52.17 1rk7 n ASP 109 Cb 0.00 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 1rk7 n ASP 109 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1rk7 n HIS 110 N -0.63 -1.32 -3.00 -0.67 8.25 -1.26 -5.06 115.22 111.53 1rk7 n HIS 110 Ca 0.42 0.23 -0.10 0.00 -0.26 0.00 0.00 57.72 58.01 1rk7 n HIS 110 Cb 1.29 0.34 0.01 0.00 1.12 0.00 0.00 29.99 32.75 1rk7 n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1rk7 n SER 111 N -3.36 -7.27 -0.33 0.41 2.88 -1.00 -4.89 113.62 100.06 1rk7 n SER 111 Ca 0.00 0.66 0.13 0.00 -1.33 0.00 0.00 58.87 58.33 1rk7 n SER 111 Cb 0.00 -3.97 0.30 0.00 -0.75 0.00 0.00 64.21 59.79 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 0.33 0.00 -1.67 2.46 -5.35 -0.31 -4.84 119.36 109.99 1rk7 n ILE 112 Ca 0.02 -0.17 -0.38 0.00 -0.27 0.00 0.00 62.75 61.95 1rk7 n ILE 112 Cb 0.37 0.61 -0.03 0.00 -1.74 0.00 0.00 39.64 38.84 1rk7 n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1rk7 s ILE 113 N -2.45 3.09 0.00 7.28 -1.09 -1.25 -2.82 121.20 123.95 1rk7 s ILE 113 Ca 0.24 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.72 1rk7 s ILE 113 Cb 0.19 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 1rk7 s ILE 113 CO 0.51 -0.18 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 1rk7 n GLY 114 N 5.89 0.69 3.51 6.18 0.00 -1.26 -4.92 105.19 115.28 1rk7 n GLY 114 Ca 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 3.22 -0.88 1.61 0.52 -1.13 -0.42 118.95 121.87 1rk7 s ARG 115 Ca 0.00 -0.43 -0.10 0.00 -0.52 0.00 0.00 55.73 54.68 1rk7 s ARG 115 Cb 0.00 -4.15 -0.08 0.00 0.52 0.00 0.00 34.95 31.24 1rk7 s ARG 115 CO 0.00 -1.82 2.06 2.41 0.02 0.00 0.00 175.30 177.96 1rk7 n THR 116 N 6.19 2.28 -1.36 0.02 -1.04 -1.13 -2.73 114.28 116.51 1rk7 n THR 116 Ca 0.01 -1.51 -0.60 0.00 -2.04 0.00 0.00 64.05 59.91 1rk7 n THR 116 Cb 0.47 -2.19 -0.11 0.00 -1.82 0.00 0.00 70.33 66.69 1rk7 n THR 116 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1rk7 n LEU 117 N 5.09 1.05 -3.85 -4.42 7.99 -1.26 -3.97 117.00 117.63 1rk7 n LEU 117 Ca 0.46 0.72 -0.30 0.00 -0.01 0.00 0.00 56.01 56.88 1rk7 n LEU 117 Cb 0.20 -0.96 -0.15 0.00 -0.11 0.00 0.00 43.42 42.41 1rk7 n LEU 117 CO 0.79 -0.76 -0.37 0.54 -1.51 0.00 0.00 177.39 176.08 1rk7 s VAL 118 N 5.71 1.27 0.56 4.08 0.11 -1.23 -1.21 120.40 129.70 1rk7 s VAL 118 Ca 1.16 -1.36 -0.20 0.00 -2.93 0.00 0.00 61.98 58.65 1rk7 s VAL 118 Cb -1.40 -1.78 -0.05 0.00 -1.53 0.00 0.00 36.38 31.62 1rk7 s VAL 118 CO 0.66 -0.39 1.12 0.52 -3.33 0.00 0.00 175.10 173.67 1rk7 n VAL 119 N 4.72 3.65 -3.04 2.04 0.31 -1.26 -3.84 118.33 120.91 1rk7 n VAL 119 Ca -0.06 -0.50 -0.39 0.00 -0.01 0.00 0.00 64.34 63.38 1rk7 n VAL 119 Cb 0.43 -1.34 -0.06 0.00 -0.91 0.00 0.00 33.84 31.97 1rk7 n VAL 119 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1rk7 s HIS 120 N -1.40 3.86 0.15 3.52 3.76 -1.17 -4.32 115.29 119.69 1rk7 s HIS 120 Ca 0.73 1.55 -0.18 0.00 -0.15 0.00 0.00 55.06 57.01 1rk7 s HIS 120 Cb -0.43 -2.71 0.05 0.00 1.11 0.00 0.00 32.58 30.59 1rk7 s HIS 120 CO 0.49 0.50 1.68 1.49 -0.85 0.00 0.00 174.74 178.05 1rk7 h GLU 121 N 4.23 0.01 0.00 1.40 4.22 -1.60 -3.39 114.58 119.46 1rk7 h GLU 121 Ca -0.48 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.96 1rk7 h GLU 121 Cb 1.21 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1rk7 h GLU 121 CO 0.65 0.01 0.00 1.17 -2.18 0.00 0.00 179.01 178.66 1rk7 n LYS 122 N -5.25 2.55 -4.10 1.92 4.81 -1.25 -4.95 118.16 111.88 1rk7 n LYS 122 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.16 1rk7 n LYS 122 Cb 0.18 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.16 1rk7 n LYS 122 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1rk7 s ALA 123 N -2.00 3.44 -1.55 3.14 0.00 -1.26 -0.50 121.76 123.03 1rk7 s ALA 123 Ca 0.00 -1.15 0.24 0.00 0.00 0.00 0.00 51.96 51.05 1rk7 s ALA 123 Cb 0.00 -1.28 1.26 0.00 0.00 0.00 0.00 23.12 23.10 1rk7 s ALA 123 CO 0.00 0.63 1.80 -0.40 0.00 0.00 0.00 175.76 177.79 1rk7 n ASP 124 N 0.17 0.00 -2.58 0.00 5.75 -1.25 -4.59 116.55 114.05 1rk7 n ASP 124 Ca -0.09 -0.20 -0.18 0.00 -0.01 0.00 0.00 54.79 54.31 1rk7 n ASP 124 Cb 0.53 -0.23 -0.00 0.00 -1.03 0.00 0.00 41.12 40.39 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 -1.23 -4.88 -1.47 -1.12 -0.08 -1.26 0.34 116.55 106.85 1rk7 n ASP 125 Ca 0.13 0.01 -0.14 0.00 -1.51 0.00 0.00 54.79 53.27 1rk7 n ASP 125 Cb 0.17 -4.07 -0.06 0.00 2.34 0.00 0.00 41.12 39.50 1rk7 n ASP 125 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1rk7 n LEU 126 N -3.12 -1.06 0.00 -2.67 4.77 -1.26 -4.28 117.00 109.38 1rk7 n LEU 126 Ca -0.17 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1rk7 n LEU 126 Cb 0.63 -2.13 0.00 0.00 -2.33 0.00 0.00 43.42 39.59 1rk7 n LEU 126 CO 0.28 -0.72 0.00 0.61 -1.33 0.00 0.00 177.39 176.23 1rk7 n GLY 127 N -0.30 1.35 0.06 -0.72 0.00 0.15 -4.49 105.19 101.24 1rk7 n GLY 127 Ca -0.14 -1.20 0.02 0.00 0.00 0.00 0.00 46.02 44.70 1rk7 n GLY 127 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rk7 n LYS 128 N 2.97 0.66 -1.25 1.61 2.85 -1.25 -5.00 118.16 118.75 1rk7 n LYS 128 Ca 0.00 -0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 1rk7 n LYS 128 Cb 0.00 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 32.78 1rk7 n LYS 128 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1rk7 n GLY 129 N 1.43 1.01 0.00 2.58 0.00 -1.26 -5.09 105.19 103.86 1rk7 n GLY 129 Ca -0.14 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.38 1.05 3.27 -0.02 0.00 -1.26 -5.04 105.19 102.81 1rk7 n GLY 130 Ca 0.00 -1.50 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.00 -0.46 -1.19 1.61 0.01 -1.26 -4.65 114.94 108.00 1rk7 s ASN 131 Ca 0.00 0.83 0.00 0.00 -0.71 0.00 0.00 52.86 52.98 1rk7 s ASN 131 Cb 0.00 0.77 0.00 0.00 0.41 0.00 0.00 41.25 42.43 1rk7 s ASN 131 CO 0.00 -0.17 0.00 1.21 -1.51 0.00 0.00 177.10 176.63 1rk7 n GLU 132 N 3.63 -1.52 0.00 -0.60 2.13 -1.26 -4.56 120.64 118.46 1rk7 n GLU 132 Ca -0.19 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.29 1rk7 n GLU 132 Cb 0.56 -4.98 0.00 0.00 0.27 0.00 0.00 31.44 27.29 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 -2.04 0.00 0.13 5.31 -0.06 -1.26 -4.85 117.38 114.61 1rk7 n GLN 133 Ca -0.12 0.00 0.01 0.00 -2.00 0.00 0.00 57.00 54.89 1rk7 n GLN 133 Cb 0.44 0.00 0.05 0.00 -4.06 0.00 0.00 30.24 26.67 1rk7 n GLN 133 CO 0.00 0.00 0.00 0.77 -0.20 0.00 0.00 177.06 177.63 1rk7 h SER 134 N 0.00 0.00 0.39 1.69 0.02 -1.86 0.21 113.55 114.00 1rk7 h SER 134 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rk7 h SER 134 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1rk7 h SER 134 CO 0.00 0.57 0.00 0.35 -1.14 0.00 0.00 176.83 176.61 1rk7 n THR 135 N -3.30 0.47 0.00 -2.27 -2.24 -1.26 -3.40 114.28 102.28 1rk7 n THR 135 Ca 0.01 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1rk7 n THR 135 Cb 0.74 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1rk7 n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1rk7 n LYS 136 N -1.31 0.00 0.00 -0.78 5.02 -1.12 -3.59 118.16 116.37 1rk7 n LYS 136 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1rk7 n LYS 136 Cb 0.16 -0.82 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 1rk7 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1rk7 n THR 137 N -2.68 0.00 0.00 -0.18 -2.24 0.70 -4.44 114.28 105.44 1rk7 n THR 137 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1rk7 n THR 137 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 3.09 0.00 3.39 3.38 0.00 -1.07 -4.76 105.19 109.22 1rk7 n GLY 138 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 -2.56 -0.82 1.61 2.85 -1.23 -3.94 115.26 111.16 1rk7 n ASN 139 Ca 0.00 -0.34 -0.01 0.00 -0.11 0.00 0.00 54.58 54.11 1rk7 n ASN 139 Cb 0.00 -2.19 -0.02 0.00 1.24 0.00 0.00 39.78 38.81 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 -3.33 2.57 -2.69 5.20 0.00 -1.26 -4.91 120.51 116.09 1rk7 n ALA 140 Ca 0.02 -0.83 -0.42 0.00 0.00 0.00 0.00 53.44 52.20 1rk7 n ALA 140 Cb 0.51 -0.33 -0.03 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.86 1.31 -0.35 0.00 0.00 -1.26 -3.43 107.32 102.73 1rk7 s GLY 141 Ca 0.06 -2.03 0.03 0.00 0.00 0.00 0.00 44.72 42.78 1rk7 s GLY 141 CO -0.03 2.42 0.40 -0.56 0.00 0.00 0.00 173.10 175.33 1rk7 s SER 142 N 4.12 0.75 1.05 1.64 0.01 -1.26 -5.00 113.70 115.00 1rk7 s SER 142 Ca 0.36 -1.18 -0.24 0.00 1.31 0.00 0.00 55.95 56.19 1rk7 s SER 142 Cb -0.07 0.82 -0.08 0.00 0.21 0.00 0.00 66.02 66.91 1rk7 s SER 142 CO 0.01 -0.28 -0.93 0.54 0.41 0.00 0.00 173.24 172.99 1rk7 n ARG 143 N 4.58 -0.64 0.12 12.44 3.00 -1.26 -3.52 116.66 131.37 1rk7 n ARG 143 Ca 0.08 -0.18 0.00 0.00 -0.01 0.00 0.00 57.85 57.74 1rk7 n ARG 143 Cb 0.47 -1.28 0.00 0.00 0.00 0.00 0.00 32.46 31.66 1rk7 n ARG 143 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1rk7 n LEU 144 N 1.43 -2.13 -4.86 0.55 -0.00 -1.26 -4.85 117.00 105.88 1rk7 n LEU 144 Ca -0.01 0.63 -0.21 0.00 -0.00 0.00 0.00 56.01 56.42 1rk7 n LEU 144 Cb 0.70 2.19 -0.03 0.00 -0.00 0.00 0.00 43.42 46.28 1rk7 n LEU 144 CO 0.47 0.12 -0.03 0.00 -0.00 0.00 0.00 177.39 177.94 1rk7 s ALA 145 N -2.00 3.97 -0.46 1.47 0.00 -1.26 -3.97 121.76 119.52 1rk7 s ALA 145 Ca 0.00 -1.83 0.07 0.00 0.00 0.00 0.00 51.96 50.19 1rk7 s ALA 145 Cb 0.00 -1.02 0.27 0.00 0.00 0.00 0.00 23.12 22.37 1rk7 s ALA 145 CO 0.00 -0.16 0.88 0.00 0.00 0.00 0.00 175.76 176.49 1rk7 h GLY 147 N 3.65 0.23 -2.89 0.00 0.00 -1.35 -3.38 103.07 99.33 1rk7 h GLY 147 Ca -0.08 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1rk7 h GLY 147 CO 0.31 -0.24 -0.70 -0.62 0.00 0.00 0.00 176.54 175.30 1rk7 n VAL 148 N -5.45 -4.36 -2.80 4.60 0.31 -1.13 -3.62 118.33 105.87 1rk7 n VAL 148 Ca 0.07 1.87 -0.40 0.00 -0.01 0.00 0.00 64.34 65.87 1rk7 n VAL 148 Cb 0.36 -2.62 -0.05 0.00 -0.91 0.00 0.00 33.84 30.61 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 -2.62 4.40 -0.29 2.52 -1.09 -1.11 -3.72 121.20 119.29 1rk7 s ILE 149 Ca 0.00 1.96 -0.02 0.00 -2.23 0.00 0.00 60.65 60.37 1rk7 s ILE 149 Cb 0.00 -4.27 0.12 0.00 -1.58 0.00 0.00 42.46 36.73 1rk7 s ILE 149 CO 0.00 0.40 0.23 -0.83 -1.23 0.00 0.00 174.94 173.51 1rk7 s GLY 150 N -0.47 0.13 0.17 6.18 0.00 0.27 -4.32 107.32 109.27 1rk7 s GLY 150 Ca 0.43 -0.67 -0.30 0.00 0.00 0.00 0.00 44.72 44.18 1rk7 s GLY 150 CO 0.29 2.42 0.62 1.39 0.00 0.00 0.00 173.10 177.81 1rk7 n ILE 151 N 5.22 1.66 -4.56 0.90 2.08 -1.26 -2.05 119.36 121.35 1rk7 n ILE 151 Ca -0.03 -0.41 -0.26 0.00 0.56 0.00 0.00 62.75 62.60 1rk7 n ILE 151 Cb 0.44 -0.00 -0.09 0.00 -0.75 0.00 0.00 39.64 39.24 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 -0.83 3.04 0.00 -1.39 0.00 -0.95 -4.81 121.76 116.83 1rk7 s ALA 152 Ca 0.69 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1rk7 s ALA 152 Cb -0.99 0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1rk7 s ALA 152 CO 0.56 -0.25 0.08 0.00 0.00 0.00 0.00 175.76 176.15