#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 0.44 -0.82 0.00 2.01 -1.25 -3.99 115.64 112.01 1rk7 s THR 2 Ca 0.00 -2.00 -0.15 0.00 0.31 0.00 0.00 61.69 59.85 1rk7 s THR 2 Cb 0.00 -2.49 0.19 0.00 0.01 0.00 0.00 72.50 70.21 1rk7 s THR 2 CO 0.00 0.00 0.83 -0.75 -0.69 0.00 0.00 174.62 174.01 1rk7 s LYS 3 N -3.76 3.55 0.44 4.92 2.36 -1.26 -2.07 119.74 123.92 1rk7 s LYS 3 Ca 0.33 -2.23 -0.12 0.00 -2.55 0.00 0.00 55.97 51.40 1rk7 s LYS 3 Cb 0.04 -4.52 -0.07 0.00 -1.05 0.00 0.00 37.83 32.24 1rk7 s LYS 3 CO 0.17 -1.41 0.83 0.00 1.55 0.00 0.00 175.35 176.50 1rk7 s ALA 4 N 0.88 3.27 0.01 3.13 0.00 0.39 -2.05 121.76 127.39 1rk7 s ALA 4 Ca 0.20 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.06 1rk7 s ALA 4 Cb -0.11 -2.82 -0.01 0.00 0.00 0.00 0.00 23.12 20.19 1rk7 s ALA 4 CO -0.08 -0.11 -0.07 0.08 0.00 0.00 0.00 175.76 175.59 1rk7 s VAL 5 N -2.49 0.50 -0.34 0.00 1.01 0.28 0.11 120.40 119.47 1rk7 s VAL 5 Ca 0.53 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1rk7 s VAL 5 Cb -0.10 -0.46 0.13 0.00 0.00 0.00 0.00 36.38 35.95 1rk7 s VAL 5 CO 0.33 -0.01 0.19 0.00 0.00 0.00 0.00 175.10 175.61 1rk7 s ALA 6 N -0.47 0.98 -0.77 5.51 0.00 0.43 -0.97 121.76 126.46 1rk7 s ALA 6 Ca -0.01 -1.73 -0.24 0.00 0.00 0.00 0.00 51.96 49.98 1rk7 s ALA 6 Cb -0.04 -1.58 0.06 0.00 0.00 0.00 0.00 23.12 21.55 1rk7 s ALA 6 CO -0.00 -1.98 1.19 0.54 0.00 0.00 0.00 175.76 175.51 1rk7 s VAL 7 N 1.28 4.03 0.22 0.00 0.11 -1.26 -1.59 120.40 123.19 1rk7 s VAL 7 Ca 0.15 -0.20 -0.28 0.00 -2.93 0.00 0.00 61.98 58.73 1rk7 s VAL 7 Cb -0.21 -4.85 -0.16 0.00 -1.53 0.00 0.00 36.38 29.62 1rk7 s VAL 7 CO -0.09 -1.71 0.66 0.18 -3.33 0.00 0.00 175.10 170.81 1rk7 n LEU 8 N 8.52 -0.39 -3.35 2.54 7.99 0.11 -4.67 117.00 127.75 1rk7 n LEU 8 Ca 0.07 1.14 0.02 0.00 -0.01 0.00 0.00 56.01 57.24 1rk7 n LEU 8 Cb 0.48 -1.04 -0.04 0.00 -0.11 0.00 0.00 43.42 42.71 1rk7 n LEU 8 CO 0.66 -2.53 0.73 -0.75 -1.51 0.00 0.00 177.39 173.99 1rk7 s LYS 9 N -1.13 0.20 0.00 3.23 2.36 -1.26 -4.09 119.74 119.04 1rk7 s LYS 9 Ca 0.63 0.48 0.00 0.00 -2.55 0.00 0.00 55.97 54.53 1rk7 s LYS 9 Cb -0.87 0.27 0.00 0.00 -1.05 0.00 0.00 37.83 36.18 1rk7 s LYS 9 CO 0.57 -0.07 0.00 0.41 1.55 0.00 0.00 175.35 177.82 1rk7 n GLY 10 N 4.70 -2.44 0.35 5.54 0.00 -1.26 -2.86 105.19 109.22 1rk7 n GLY 10 Ca -0.09 0.83 0.13 0.00 0.00 0.00 0.00 46.02 46.89 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 -0.60 0.00 1.61 3.58 -1.90 -3.46 116.42 115.66 1rk7 h ASP 11 Ca 0.00 0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.74 1rk7 h ASP 11 Cb 0.00 0.53 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1rk7 h ASP 11 CO 0.00 -0.36 0.00 0.61 -2.88 0.00 0.00 179.24 176.61 1rk7 n GLY 12 N -1.53 3.17 0.13 -0.78 0.00 -1.26 -4.87 105.19 100.06 1rk7 n GLY 12 Ca 0.22 -0.74 -0.07 0.00 0.00 0.00 0.00 46.02 45.43 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 0.17 -6.32 1.61 0.13 -1.92 -3.42 132.00 122.26 1rk7 h PRO 13 Ca 0.00 -0.16 -0.58 0.00 -0.87 0.00 0.00 66.00 64.39 1rk7 h PRO 13 Cb 0.00 0.04 -0.08 0.00 0.13 0.00 0.00 31.00 31.09 1rk7 h PRO 13 CO 0.00 0.88 0.75 0.54 -0.23 0.00 0.00 178.00 179.94 1rk7 s VAL 14 N -3.34 4.45 -0.42 1.56 0.11 -1.25 -4.26 120.40 117.26 1rk7 s VAL 14 Ca -0.03 1.31 0.11 0.00 -2.93 0.00 0.00 61.98 60.44 1rk7 s VAL 14 Cb 0.11 -4.44 0.38 0.00 -1.53 0.00 0.00 36.38 30.90 1rk7 s VAL 14 CO 0.81 -0.67 0.88 0.00 -3.33 0.00 0.00 175.10 172.79 1rk7 n GLN 15 N 7.12 1.84 -0.88 1.54 3.00 0.23 -4.19 117.38 126.04 1rk7 n GLN 15 Ca 0.10 -3.83 -0.29 0.00 -0.01 0.00 0.00 57.00 52.96 1rk7 n GLN 15 Cb 0.48 -1.79 0.19 0.00 0.00 0.00 0.00 30.24 29.12 1rk7 n GLN 15 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1rk7 s GLY 16 N -2.97 1.59 -0.18 1.08 0.00 -1.26 -4.41 107.32 101.16 1rk7 s GLY 16 Ca 0.40 -0.07 -0.05 0.00 0.00 0.00 0.00 44.72 45.00 1rk7 s GLY 16 CO -0.08 0.53 0.09 -0.42 0.00 0.00 0.00 173.10 173.22 1rk7 s ILE 17 N -2.72 -0.05 -0.03 0.90 1.01 0.33 0.05 121.20 120.68 1rk7 s ILE 17 Ca 0.66 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 61.08 1rk7 s ILE 17 Cb -0.21 -0.65 0.01 0.00 0.01 0.00 0.00 42.46 41.62 1rk7 s ILE 17 CO 0.60 -0.33 -0.09 -0.51 0.00 0.00 0.00 174.94 174.62 1rk7 s ILE 18 N 2.12 0.79 0.26 2.92 -1.16 -0.62 0.11 121.20 125.62 1rk7 s ILE 18 Ca 0.03 -0.35 0.07 0.00 -0.51 0.00 0.00 60.65 59.89 1rk7 s ILE 18 Cb -0.16 -0.72 -0.05 0.00 0.61 0.00 0.00 42.46 42.14 1rk7 s ILE 18 CO -0.12 0.25 -0.08 0.20 -2.81 0.00 0.00 174.94 172.38 1rk7 s ASN 19 N 0.33 2.70 -0.27 4.50 -0.87 -0.24 0.16 114.94 121.25 1rk7 s ASN 19 Ca -0.05 -1.14 -0.01 0.00 -1.57 0.00 0.00 52.86 50.09 1rk7 s ASN 19 Cb -0.10 -0.16 0.08 0.00 -0.02 0.00 0.00 41.25 41.06 1rk7 s ASN 19 CO 0.01 -0.29 0.06 -0.36 -2.57 0.00 0.00 177.10 173.95 1rk7 s PHE 20 N -3.00 1.67 -0.22 2.20 0.40 0.31 -3.07 117.98 116.27 1rk7 s PHE 20 Ca 0.27 -1.54 -0.02 0.00 -0.60 0.00 0.00 56.93 55.05 1rk7 s PHE 20 Cb 0.02 -1.54 0.01 0.00 0.51 0.00 0.00 43.02 42.02 1rk7 s PHE 20 CO 0.10 -0.80 -0.08 -2.00 0.70 0.00 0.00 175.22 173.15 1rk7 s GLU 21 N 1.63 3.13 -0.36 0.44 2.12 -1.03 0.15 118.70 124.78 1rk7 s GLU 21 Ca 0.05 -0.78 0.13 0.00 0.36 0.00 0.00 54.97 54.73 1rk7 s GLU 21 Cb -0.17 -2.90 0.37 0.00 0.26 0.00 0.00 34.13 31.68 1rk7 s GLU 21 CO -0.18 -0.26 0.78 0.94 -0.54 0.00 0.00 175.26 176.00 1rk7 n GLN 22 N 4.72 1.00 -1.68 4.30 7.27 -0.88 -0.63 117.38 131.49 1rk7 n GLN 22 Ca -0.18 -3.32 -0.42 0.00 0.07 0.00 0.00 57.00 53.14 1rk7 n GLN 22 Cb 0.50 -1.61 -0.02 0.00 2.41 0.00 0.00 30.24 31.52 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 0.22 2.53 0.00 3.69 5.02 -1.26 0.28 118.16 128.64 1rk7 n LYS 23 Ca 0.22 -2.48 0.00 0.00 -2.02 0.00 0.00 58.31 54.03 1rk7 n LYS 23 Cb 0.69 -3.23 0.00 0.00 -0.02 0.00 0.00 35.03 32.46 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 6.58 0.00 -0.14 1.97 4.07 -1.26 -4.98 120.64 126.88 1rk7 n GLU 24 Ca 0.51 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.61 1rk7 n GLU 24 Cb 0.40 -0.24 0.00 0.00 -0.06 0.00 0.00 31.44 31.54 1rk7 n GLU 24 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1rk7 n SER 25 N -2.44 0.00 -0.99 4.31 7.64 -1.25 -4.54 113.62 116.34 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 0.13 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.30 1rk7 n SER 25 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1rk7 n ASN 26 N 0.00 -0.67 -2.05 6.43 6.94 -1.26 -5.09 115.26 119.55 1rk7 n ASN 26 Ca 0.00 -1.34 -0.07 0.00 -0.02 0.00 0.00 54.58 53.16 1rk7 n ASN 26 Cb 0.00 0.22 -0.02 0.00 -2.36 0.00 0.00 39.78 37.62 1rk7 n ASN 26 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rk7 n GLY 27 N -0.12 3.85 3.81 4.83 0.00 -1.26 -5.14 105.19 111.16 1rk7 n GLY 27 Ca -0.17 -1.93 -0.33 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.42 3.38 -0.31 1.61 0.04 -1.26 -4.52 135.00 131.53 1rk7 s PRO 28 Ca 0.07 1.16 -0.14 0.00 0.04 0.00 0.00 61.00 62.12 1rk7 s PRO 28 Cb 0.00 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1rk7 s PRO 28 CO 0.05 -0.76 0.32 0.08 0.04 0.00 0.00 177.00 176.73 1rk7 s VAL 29 N -2.51 5.21 -0.88 -0.36 1.01 0.38 -4.75 120.40 118.49 1rk7 s VAL 29 Ca 0.63 0.21 -0.25 0.00 0.00 0.00 0.00 61.98 62.57 1rk7 s VAL 29 Cb -0.15 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 1rk7 s VAL 29 CO 0.37 0.06 1.71 -0.54 0.00 0.00 0.00 175.10 176.70 1rk7 s LYS 30 N 1.96 2.96 -0.38 2.72 1.02 0.20 -1.97 119.74 126.25 1rk7 s LYS 30 Ca 0.11 -0.41 -0.15 0.00 0.02 0.00 0.00 55.97 55.54 1rk7 s LYS 30 Cb -0.16 -4.96 0.00 0.00 -0.52 0.00 0.00 37.83 32.19 1rk7 s LYS 30 CO 0.11 -2.78 0.34 0.08 -0.92 0.00 0.00 175.35 172.18 1rk7 s VAL 31 N 7.86 5.19 0.04 3.17 1.01 -0.70 -2.45 120.40 134.52 1rk7 s VAL 31 Ca 0.58 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 1rk7 s VAL 31 Cb -0.06 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1rk7 s VAL 31 CO 0.01 -0.20 0.01 -1.66 0.00 0.00 0.00 175.10 173.26 1rk7 s TRP 32 N 1.92 0.35 -0.03 5.22 -2.14 -1.17 -0.96 118.94 122.12 1rk7 s TRP 32 Ca 0.09 -0.75 -0.29 0.00 2.66 0.00 0.00 56.10 57.82 1rk7 s TRP 32 Cb -0.17 -0.26 0.10 0.00 -3.10 0.00 0.00 33.47 30.04 1rk7 s TRP 32 CO 0.12 -0.33 1.30 0.20 -2.66 0.00 0.00 176.95 175.58 1rk7 s GLY 33 N -2.28 -0.14 -0.27 3.67 0.00 -1.02 -1.08 107.32 106.21 1rk7 s GLY 33 Ca -0.03 0.05 -0.08 0.00 0.00 0.00 0.00 44.72 44.66 1rk7 s GLY 33 CO -0.06 5.89 0.56 -0.56 0.00 0.00 0.00 173.10 178.93 1rk7 s SER 34 N -3.84 -0.83 0.59 1.64 0.01 0.31 -0.74 113.70 110.84 1rk7 s SER 34 Ca 0.30 1.28 -0.08 0.00 1.31 0.00 0.00 55.95 58.76 1rk7 s SER 34 Cb -0.00 1.95 -0.01 0.00 0.21 0.00 0.00 66.02 68.16 1rk7 s SER 34 CO -0.01 -0.23 0.94 -0.63 0.41 0.00 0.00 173.24 173.72 1rk7 s ILE 35 N 2.79 4.06 -0.29 1.44 1.09 0.31 0.12 121.20 130.72 1rk7 s ILE 35 Ca -0.02 0.28 0.03 0.00 -1.10 0.00 0.00 60.65 59.84 1rk7 s ILE 35 Cb -0.12 -3.61 0.18 0.00 -1.06 0.00 0.00 42.46 37.84 1rk7 s ILE 35 CO -0.17 -0.69 0.50 -0.54 -0.10 0.00 0.00 174.94 173.94 1rk7 s LYS 36 N -5.04 0.48 0.00 2.79 1.02 -1.26 -3.28 119.74 114.45 1rk7 s LYS 36 Ca 0.53 0.44 0.00 0.00 0.02 0.00 0.00 55.97 56.97 1rk7 s LYS 36 Cb -0.11 -0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.20 1rk7 s LYS 36 CO 0.48 -0.95 0.00 0.41 -0.92 0.00 0.00 175.35 174.37 1rk7 n GLY 37 N 5.39 4.29 0.00 -3.33 0.00 -1.26 -0.60 105.19 109.67 1rk7 n GLY 37 Ca 0.02 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.15 0.99 4.32 -1.26 -4.85 117.00 112.05 1rk7 n LEU 38 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.79 1rk7 n LEU 38 Cb 0.00 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 41.67 1rk7 n LEU 38 CO 0.00 -1.13 -0.46 0.42 -1.22 0.00 0.00 177.39 174.99 1rk7 s THR 39 N -0.51 1.12 -0.27 -5.08 -4.23 -1.26 -3.84 115.64 101.57 1rk7 s THR 39 Ca 0.00 -1.06 -0.32 0.00 -1.18 0.00 0.00 61.69 59.13 1rk7 s THR 39 Cb 0.00 -1.03 -0.09 0.00 1.34 0.00 0.00 72.50 72.72 1rk7 s THR 39 CO 0.00 -0.03 2.17 -1.84 -0.54 0.00 0.00 174.62 174.38 1rk7 n GLU 40 N 1.79 1.53 0.00 3.99 0.28 -1.26 -4.37 120.64 122.61 1rk7 n GLU 40 Ca -0.19 0.44 0.00 0.00 -0.16 0.00 0.00 57.16 57.25 1rk7 n GLU 40 Cb 0.55 -2.78 0.00 0.00 1.43 0.00 0.00 31.44 30.63 1rk7 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1rk7 n GLY 41 N 6.02 3.23 3.70 -1.84 0.00 -1.26 -4.91 105.19 110.13 1rk7 n GLY 41 Ca 0.35 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 1rk7 n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rk7 n LEU 42 N 0.00 3.98 -4.63 0.99 4.77 -1.26 -2.45 117.00 118.40 1rk7 n LEU 42 Ca 0.00 1.11 -0.29 0.00 -0.03 0.00 0.00 56.01 56.80 1rk7 n LEU 42 Cb 0.00 -1.50 -0.09 0.00 -2.33 0.00 0.00 43.42 39.50 1rk7 n LEU 42 CO 0.00 -0.67 -0.26 -1.00 -1.33 0.00 0.00 177.39 174.14 1rk7 s HIS 43 N -1.20 2.04 0.84 -1.77 3.76 0.41 -2.68 115.29 116.69 1rk7 s HIS 43 Ca 0.61 -0.94 -0.09 0.00 -0.15 0.00 0.00 55.06 54.48 1rk7 s HIS 43 Cb -0.51 -1.52 0.18 0.00 1.11 0.00 0.00 32.58 31.84 1rk7 s HIS 43 CO 0.58 0.16 1.15 0.41 -0.85 0.00 0.00 174.74 176.19 1rk7 n GLY 44 N -1.03 -0.61 3.93 -2.22 0.00 -0.37 -3.73 105.19 101.16 1rk7 n GLY 44 Ca -0.10 -1.84 -0.28 0.00 0.00 0.00 0.00 46.02 43.80 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 -3.45 2.34 0.38 1.61 0.08 -1.26 -4.08 117.98 113.59 1rk7 s PHE 45 Ca 0.69 0.40 0.08 0.00 0.12 0.00 0.00 56.93 58.21 1rk7 s PHE 45 Cb -0.03 -3.56 -0.02 0.00 -0.57 0.00 0.00 43.02 38.85 1rk7 s PHE 45 CO 0.47 -1.95 0.38 -1.01 -0.10 0.00 0.00 175.22 173.02 1rk7 s HIS 46 N -3.53 2.84 0.51 0.36 3.76 -1.26 -4.34 115.29 113.63 1rk7 s HIS 46 Ca 0.66 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 55.19 1rk7 s HIS 46 Cb -0.08 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.57 1rk7 s HIS 46 CO 0.48 -0.04 0.00 0.28 -0.85 0.00 0.00 174.74 174.62 1rk7 n VAL 47 N -1.53 -4.10 -2.67 -0.90 0.31 -0.30 -4.57 118.33 104.57 1rk7 n VAL 47 Ca 0.02 1.88 -0.04 0.00 -0.01 0.00 0.00 64.34 66.19 1rk7 n VAL 47 Cb 0.60 -2.74 0.11 0.00 -0.91 0.00 0.00 33.84 30.90 1rk7 n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rk7 n HIS 48 N -1.52 -0.66 -3.88 3.52 -0.00 -1.26 -4.63 115.22 106.79 1rk7 n HIS 48 Ca 0.00 -0.87 -0.29 0.00 -0.00 0.00 0.00 57.72 56.56 1rk7 n HIS 48 Cb 0.17 1.22 0.01 0.00 -0.00 0.00 0.00 29.99 31.39 1rk7 n HIS 48 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1rk7 n GLU 49 N 0.45 -0.56 -0.98 -1.40 0.28 -1.26 -4.73 120.64 112.43 1rk7 n GLU 49 Ca -0.05 -0.06 -0.34 0.00 -0.16 0.00 0.00 57.16 56.54 1rk7 n GLU 49 Cb 0.75 -1.28 0.03 0.00 1.43 0.00 0.00 31.44 32.37 1rk7 n GLU 49 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1rk7 n GLU 50 N -3.42 0.00 0.00 3.44 4.07 -1.24 -4.72 120.64 118.78 1rk7 n GLU 50 Ca -0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 1rk7 n GLU 50 Cb 0.38 -0.94 0.00 0.00 -0.06 0.00 0.00 31.44 30.82 1rk7 n GLU 50 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1rk7 n GLU 51 N 2.16 0.00 -3.15 5.31 0.00 -1.26 -4.69 120.64 119.02 1rk7 n GLU 51 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.21 1rk7 n GLU 51 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 31.44 31.95 1rk7 n GLU 51 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1rk7 s ASP 52 N -0.35 -0.81 -0.15 4.31 2.15 -1.26 -5.03 116.67 115.53 1rk7 s ASP 52 Ca 0.00 0.11 0.01 0.00 0.43 0.00 0.00 52.55 53.10 1rk7 s ASP 52 Cb 0.00 1.52 0.02 0.00 -0.30 0.00 0.00 42.92 44.17 1rk7 s ASP 52 CO 0.00 -0.15 0.77 0.59 -0.17 0.00 0.00 175.17 176.21 1rk7 n ASN 53 N 5.22 -0.53 0.12 -0.34 3.02 -1.26 -5.02 115.26 116.47 1rk7 n ASN 53 Ca 0.07 -1.29 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 1rk7 n ASN 53 Cb 0.56 0.48 0.00 0.00 -0.61 0.00 0.00 39.78 40.21 1rk7 n ASN 53 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1rk7 n THR 54 N -0.28 0.00 0.00 3.41 5.66 -1.26 -5.03 114.28 116.78 1rk7 n THR 54 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1rk7 n THR 54 Cb 0.57 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 69.03 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 -3.16 0.00 -1.11 1.79 0.00 -1.26 -4.68 120.51 112.10 1rk7 n ALA 55 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1rk7 n ALA 55 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 3.66 3.59 0.00 0.00 -1.26 -4.73 105.19 106.45 1rk7 n GLY 56 Ca 0.00 -1.29 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 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 0.77 0.00 -1.32 0.00 -2.24 -1.26 -5.06 114.28 105.17 1rk7 n THR 58 Ca -0.09 0.46 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 1rk7 n THR 58 Cb 0.58 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 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 -2.23 -1.76 0.12 3.42 7.64 -1.26 -4.96 113.62 114.59 1rk7 n SER 59 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1rk7 n SER 59 Cb 0.00 -0.88 -0.07 0.00 -1.01 0.00 0.00 64.21 62.24 1rk7 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rk7 h ALA 60 N 0.00 -0.21 -2.49 -0.43 0.00 -1.87 -3.39 119.26 110.87 1rk7 h ALA 60 Ca 0.00 -0.05 -0.54 0.00 0.00 0.00 0.00 54.91 54.32 1rk7 h ALA 60 Cb 0.00 0.08 -0.38 0.00 0.00 0.00 0.00 17.79 17.49 1rk7 h ALA 60 CO 0.00 -0.62 -0.82 0.20 0.00 0.00 0.00 179.25 178.02 1rk7 s GLY 61 N -2.17 0.67 -0.81 0.00 0.00 -1.26 -5.02 107.32 98.73 1rk7 s GLY 61 Ca -0.14 -1.64 -0.06 0.00 0.00 0.00 0.00 44.72 42.87 1rk7 s GLY 61 CO 0.65 2.20 2.60 -1.55 0.00 0.00 0.00 173.10 177.01 1rk7 n PRO 62 N 4.18 2.35 -3.27 2.90 -0.04 -1.26 -4.48 135.00 135.38 1rk7 n PRO 62 Ca 0.10 -1.43 -0.06 0.00 -0.04 0.00 0.00 63.50 62.07 1rk7 n PRO 62 Cb 0.39 -2.36 -0.04 0.00 -0.04 0.00 0.00 33.50 31.45 1rk7 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1rk7 s HIS 63 N 2.42 -1.15 -0.58 0.54 3.76 -1.26 -3.66 115.29 115.35 1rk7 s HIS 63 Ca 0.52 -0.17 0.06 0.00 -0.15 0.00 0.00 55.06 55.32 1rk7 s HIS 63 Cb 0.17 0.02 0.30 0.00 1.11 0.00 0.00 32.58 34.18 1rk7 s HIS 63 CO -0.03 -1.09 0.84 1.19 -0.85 0.00 0.00 174.74 174.80 1rk7 n PHE 64 N 4.37 3.51 -3.06 1.40 3.72 -1.26 -4.84 117.46 121.30 1rk7 n PHE 64 Ca 0.11 -4.03 -0.16 0.00 -0.05 0.00 0.00 57.45 53.32 1rk7 n PHE 64 Cb 0.52 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 1rk7 n PHE 64 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1rk7 n ASN 65 N 0.27 -0.15 -0.01 4.37 4.13 -1.26 -4.56 115.26 118.05 1rk7 n ASN 65 Ca 0.30 -3.18 -0.16 0.00 1.68 0.00 0.00 54.58 53.22 1rk7 n ASN 65 Cb 0.42 0.11 -0.10 0.00 -1.54 0.00 0.00 39.78 38.67 1rk7 n ASN 65 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1rk7 h PRO 66 N 3.10 0.39 -0.00 3.52 0.13 -1.99 -3.37 132.00 133.77 1rk7 h PRO 66 Ca 0.04 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1rk7 h PRO 66 Cb 1.00 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1rk7 h PRO 66 CO 0.40 1.04 -0.17 1.28 -0.23 0.00 0.00 178.00 180.31 1rk7 n LEU 67 N -4.29 0.21 0.00 1.56 4.77 -1.26 -4.88 117.00 113.10 1rk7 n LEU 67 Ca -0.09 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1rk7 n LEU 67 Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1rk7 n LEU 67 CO 0.45 0.05 0.00 -1.20 -1.33 0.00 0.00 177.39 175.36 1rk7 n SER 68 N -1.05 0.00 0.00 -1.43 7.64 -1.26 -2.23 113.62 115.28 1rk7 n SER 68 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1rk7 n SER 68 Cb 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1rk7 n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1rk7 n ARG 69 N 0.00 0.00 -1.08 1.43 5.12 -1.26 -2.90 116.66 117.97 1rk7 n ARG 69 Ca 0.00 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.05 1rk7 n ARG 69 Cb 0.00 -1.30 -0.07 0.00 -1.16 0.00 0.00 32.46 29.93 1rk7 n ARG 69 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1rk7 n LYS 70 N -1.92 -2.52 -0.98 5.56 4.01 -1.26 -5.00 118.16 116.05 1rk7 n LYS 70 Ca 0.00 2.07 0.00 0.00 -0.51 0.00 0.00 58.31 59.87 1rk7 n LYS 70 Cb 0.00 -2.92 0.00 0.00 -0.51 0.00 0.00 35.03 31.60 1rk7 n LYS 70 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 1rk7 n HIS 71 N -3.69 -2.67 -1.99 2.13 1.44 0.47 -4.88 115.22 106.02 1rk7 n HIS 71 Ca -0.07 1.45 0.00 0.00 -2.01 0.00 0.00 57.72 57.09 1rk7 n HIS 71 Cb 0.51 -2.45 0.00 0.00 0.12 0.00 0.00 29.99 28.17 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 -2.05 0.25 3.76 -1.39 0.00 -1.26 -4.79 105.19 99.70 1rk7 n GLY 72 Ca 0.00 -1.38 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 1rk7 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rk7 s GLY 73 N 0.00 3.04 0.00 -0.02 0.00 -1.26 -4.93 107.32 104.15 1rk7 s GLY 73 Ca 0.00 0.63 0.22 0.00 0.00 0.00 0.00 44.72 45.57 1rk7 s GLY 73 CO 0.00 1.18 1.71 -1.55 0.00 0.00 0.00 173.10 174.44 1rk7 n PRO 74 N 1.23 0.07 -1.26 2.90 -0.04 -1.26 -3.14 135.00 133.50 1rk7 n PRO 74 Ca -0.01 0.11 -0.01 0.00 -0.04 0.00 0.00 63.50 63.55 1rk7 n PRO 74 Cb 0.47 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.44 1rk7 n PRO 74 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1rk7 n LYS 75 N -1.45 0.19 0.07 0.54 3.00 -1.13 -4.25 118.16 115.14 1rk7 n LYS 75 Ca 0.06 -0.29 0.00 0.00 -0.00 0.00 0.00 58.31 58.08 1rk7 n LYS 75 Cb 0.24 0.29 0.00 0.00 0.00 0.00 0.00 35.03 35.56 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 -0.22 0.10 -1.01 3.14 -0.08 -1.26 -4.85 116.55 112.37 1rk7 n ASP 76 Ca -0.06 0.23 0.08 0.00 -1.51 0.00 0.00 54.79 53.54 1rk7 n ASP 76 Cb 0.49 0.12 0.24 0.00 2.34 0.00 0.00 41.12 44.32 1rk7 n ASP 76 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1rk7 n GLU 77 N -3.13 2.98 -3.36 -0.67 1.02 -1.26 -4.95 120.64 111.27 1rk7 n GLU 77 Ca 0.00 -2.43 0.00 0.00 -0.02 0.00 0.00 57.16 54.71 1rk7 n GLU 77 Cb 0.06 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1rk7 n GLU 77 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1rk7 n GLU 78 N 0.83 -1.34 -0.00 3.49 1.02 -1.19 -4.60 120.64 118.86 1rk7 n GLU 78 Ca 0.18 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.39 1rk7 n GLU 78 Cb 0.60 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.92 1rk7 n GLU 78 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1rk7 n ARG 79 N 0.00 1.68 -3.94 3.49 0.63 -0.95 -2.82 116.66 114.75 1rk7 n ARG 79 Ca 0.00 -0.05 -0.34 0.00 -0.92 0.00 0.00 57.85 56.54 1rk7 n ARG 79 Cb 0.00 -1.23 -0.06 0.00 0.45 0.00 0.00 32.46 31.62 1rk7 n ARG 79 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 1rk7 n HIS 80 N -1.57 -0.93 -2.30 -0.14 -0.00 -1.18 -2.15 115.22 106.96 1rk7 n HIS 80 Ca 0.01 0.55 -0.03 0.00 -0.00 0.00 0.00 57.72 58.24 1rk7 n HIS 80 Cb 0.27 -1.50 0.00 0.00 -0.00 0.00 0.00 29.99 28.76 1rk7 n HIS 80 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 1rk7 n VAL 81 N -3.36 -1.46 0.00 3.57 3.14 -1.26 -4.72 118.33 114.24 1rk7 n VAL 81 Ca 0.09 0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.76 1rk7 n VAL 81 Cb 0.36 -2.00 0.00 0.00 -1.06 0.00 0.00 33.84 31.15 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 0.87 -0.85 3.69 7.55 0.00 -0.91 -4.89 105.19 110.64 1rk7 n GLY 82 Ca -0.01 0.26 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 1rk7 n GLY 82 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rk7 n ASP 83 N 0.00 -1.45 -3.34 1.61 5.75 -1.20 -4.76 116.55 113.17 1rk7 n ASP 83 Ca 0.00 -0.63 0.02 0.00 -0.01 0.00 0.00 54.79 54.18 1rk7 n ASP 83 Cb 0.00 -1.30 -0.03 0.00 -1.03 0.00 0.00 41.12 38.76 1rk7 n ASP 83 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1rk7 s LEU 84 N -6.10 -0.89 1.01 -2.12 2.96 -1.26 -5.13 118.68 107.14 1rk7 s LEU 84 Ca 0.52 0.88 -0.24 0.00 -0.22 0.00 0.00 54.13 55.08 1rk7 s LEU 84 Cb -0.31 1.88 -0.16 0.00 0.50 0.00 0.00 46.19 48.11 1rk7 s LEU 84 CO 0.64 -0.17 -1.18 0.61 -1.32 0.00 0.00 176.35 174.93 1rk7 n GLY 85 N 5.30 -3.44 3.85 7.98 0.00 -1.26 -4.71 105.19 112.92 1rk7 n GLY 85 Ca -0.07 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.08 6.63 0.27 1.61 0.01 -1.26 -4.75 114.94 116.36 1rk7 s ASN 86 Ca 0.39 1.38 0.07 0.00 -0.71 0.00 0.00 52.86 53.99 1rk7 s ASN 86 Cb -0.00 -2.42 -0.03 0.00 0.41 0.00 0.00 41.25 39.20 1rk7 s ASN 86 CO 0.71 -0.45 0.20 0.68 -1.51 0.00 0.00 177.10 176.74 1rk7 s VAL 87 N -2.41 4.23 0.03 1.60 -7.23 -1.24 -4.91 120.40 110.47 1rk7 s VAL 87 Ca 0.56 -1.43 0.03 0.00 -1.81 0.00 0.00 61.98 59.33 1rk7 s VAL 87 Cb -0.10 -3.33 -0.02 0.00 0.56 0.00 0.00 36.38 33.49 1rk7 s VAL 87 CO 0.28 -0.32 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.77 1rk7 s THR 88 N -2.18 0.68 0.50 5.32 2.01 -1.26 0.15 115.64 120.88 1rk7 s THR 88 Ca 0.34 -0.91 -0.09 0.00 0.31 0.00 0.00 61.69 61.34 1rk7 s THR 88 Cb -0.07 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.71 1rk7 s THR 88 CO 0.25 -0.18 0.87 0.00 -0.69 0.00 0.00 174.62 174.86 1rk7 s ALA 89 N -1.00 3.27 0.00 7.40 0.00 -1.03 -4.41 121.76 125.99 1rk7 s ALA 89 Ca -0.04 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1rk7 s ALA 89 Cb -0.08 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1rk7 s ALA 89 CO 0.01 -0.35 0.00 -3.47 0.00 0.00 0.00 175.76 171.95 1rk7 n ASP 90 N -2.09 0.00 -0.13 0.00 2.03 0.28 -4.02 116.55 112.62 1rk7 n ASP 90 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1rk7 n ASP 90 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 1rk7 n ASP 90 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1rk7 n LYS 91 N 0.00 0.05 -0.52 -0.67 4.81 -1.26 -4.70 118.16 115.86 1rk7 n LYS 91 Ca 0.00 -0.66 -0.00 0.00 -0.87 0.00 0.00 58.31 56.78 1rk7 n LYS 91 Cb 0.00 -0.51 -0.00 0.00 0.02 0.00 0.00 35.03 34.54 1rk7 n LYS 91 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1rk7 n ASP 92 N -0.01 0.00 0.00 3.14 8.00 -1.26 -4.81 116.55 121.60 1rk7 n ASP 92 Ca 0.00 -1.56 0.00 0.00 0.71 0.00 0.00 54.79 53.94 1rk7 n ASP 92 Cb 0.55 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 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 0.01 2.82 3.52 0.44 0.00 -1.25 -4.52 105.19 106.21 1rk7 n GLY 93 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.43 0.23 -3.77 1.61 0.31 -1.26 -4.25 118.33 110.77 1rk7 n VAL 94 Ca 0.00 -0.38 -0.37 0.00 -0.01 0.00 0.00 64.34 63.59 1rk7 n VAL 94 Cb 0.00 -2.10 -0.13 0.00 -0.91 0.00 0.00 33.84 30.71 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 8.09 3.08 0.17 3.52 0.00 -1.20 -0.56 121.76 134.86 1rk7 s ALA 95 Ca 1.06 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 51.76 1rk7 s ALA 95 Cb -0.60 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 1rk7 s ALA 95 CO 0.42 -0.70 0.24 0.16 0.00 0.00 0.00 175.76 175.88 1rk7 s ASP 96 N 1.55 6.04 0.07 0.00 -4.77 -1.26 0.11 116.67 118.42 1rk7 s ASP 96 Ca 0.05 0.05 0.02 0.00 -3.30 0.00 0.00 52.55 49.36 1rk7 s ASP 96 Cb -0.16 -1.73 -0.03 0.00 -1.09 0.00 0.00 42.92 39.90 1rk7 s ASP 96 CO 0.02 0.04 -0.08 -0.69 0.70 0.00 0.00 175.17 175.17 1rk7 s VAL 97 N -1.79 0.66 -0.31 2.11 1.01 0.08 -4.90 120.40 117.25 1rk7 s VAL 97 Ca 0.33 -1.51 -0.11 0.00 0.00 0.00 0.00 61.98 60.69 1rk7 s VAL 97 Cb -0.10 -1.16 0.19 0.00 0.00 0.00 0.00 36.38 35.31 1rk7 s VAL 97 CO 0.27 -0.61 1.08 -0.94 0.00 0.00 0.00 175.10 174.90 1rk7 s SER 98 N -2.30 -0.27 0.28 3.32 1.04 -1.07 -2.42 113.70 112.28 1rk7 s SER 98 Ca 0.01 -0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.39 1rk7 s SER 98 Cb -0.03 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 1rk7 s SER 98 CO -0.02 -0.04 0.23 -0.63 0.98 0.00 0.00 173.24 173.76 1rk7 s ILE 99 N 2.29 0.00 -0.31 -1.02 1.01 -0.13 -5.00 121.20 118.04 1rk7 s ILE 99 Ca 0.19 -1.98 0.00 0.00 0.00 0.00 0.00 60.65 58.87 1rk7 s ILE 99 Cb 0.02 -2.50 0.10 0.00 0.01 0.00 0.00 42.46 40.09 1rk7 s ILE 99 CO -0.18 0.00 0.09 -1.61 0.00 0.00 0.00 174.94 173.24 1rk7 s GLU 100 N -3.73 0.86 -0.42 2.79 2.02 -1.25 -1.72 118.70 117.25 1rk7 s GLU 100 Ca 0.39 -1.22 -0.17 0.00 0.02 0.00 0.00 54.97 54.00 1rk7 s GLU 100 Cb 0.04 -2.22 0.02 0.00 0.10 0.00 0.00 34.13 32.07 1rk7 s GLU 100 CO 0.21 -0.97 0.39 -0.51 0.02 0.00 0.00 175.26 174.40 1rk7 s ASP 101 N 1.48 6.17 -0.85 -0.19 1.01 -0.83 -4.64 116.67 118.81 1rk7 s ASP 101 Ca 0.10 -0.77 0.00 0.00 0.71 0.00 0.00 52.55 52.59 1rk7 s ASP 101 Cb -0.18 -2.20 0.34 0.00 1.01 0.00 0.00 42.92 41.89 1rk7 s ASP 101 CO -0.22 -0.54 1.69 -1.54 0.21 0.00 0.00 175.17 174.77 1rk7 n SER 102 N 5.45 6.75 0.02 0.27 3.41 -1.26 0.14 113.62 128.40 1rk7 n SER 102 Ca -0.09 -3.74 0.00 0.00 -0.26 0.00 0.00 58.87 54.79 1rk7 n SER 102 Cb 0.47 -0.98 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 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 -0.27 0.07 -2.85 -3.33 0.31 -1.26 -4.88 118.33 106.12 1rk7 n VAL 103 Ca 0.46 0.02 -0.21 0.00 -0.01 0.00 0.00 64.34 64.60 1rk7 n VAL 103 Cb 0.31 -0.89 0.07 0.00 -0.91 0.00 0.00 33.84 32.42 1rk7 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1rk7 s ILE 104 N -2.00 2.28 0.12 2.52 -0.00 -1.26 -5.03 121.20 117.82 1rk7 s ILE 104 Ca 0.00 -0.83 -0.25 0.00 -0.00 0.00 0.00 60.65 59.56 1rk7 s ILE 104 Cb 0.00 -2.45 0.08 0.00 -0.00 0.00 0.00 42.46 40.10 1rk7 s ILE 104 CO 0.00 0.00 1.09 -0.94 -0.00 0.00 0.00 174.94 175.09 1rk7 s SER 105 N -4.64 -0.05 -0.66 4.36 1.04 -1.18 -4.78 113.70 107.79 1rk7 s SER 105 Ca 0.62 -0.45 -0.02 0.00 0.48 0.00 0.00 55.95 56.59 1rk7 s SER 105 Cb -0.06 0.39 0.45 0.00 0.10 0.00 0.00 66.02 66.89 1rk7 s SER 105 CO 0.40 -0.76 2.00 0.18 0.98 0.00 0.00 173.24 176.04 1rk7 n LEU 106 N -0.63 7.57 0.00 2.42 4.77 -1.26 -1.56 117.00 128.31 1rk7 n LEU 106 Ca -0.04 -4.34 0.00 0.00 -0.03 0.00 0.00 56.01 51.60 1rk7 n LEU 106 Cb 0.60 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1rk7 n LEU 106 CO 0.17 1.52 0.00 -1.20 -1.33 0.00 0.00 177.39 176.54 1rk7 n SER 107 N -0.89 0.00 -1.47 -1.43 7.64 -1.26 -4.71 113.62 111.50 1rk7 n SER 107 Ca 0.62 -0.85 0.05 0.00 1.01 0.00 0.00 58.87 59.69 1rk7 n SER 107 Cb 0.65 0.00 0.29 0.00 -1.01 0.00 0.00 64.21 64.14 1rk7 n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rk7 n GLY 108 N 5.00 2.49 1.84 0.23 0.00 -1.26 -2.79 105.19 110.71 1rk7 n GLY 108 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.49 0.02 -0.98 1.61 9.92 -1.26 -4.82 116.55 121.54 1rk7 n ASP 109 Ca 0.20 0.45 0.05 0.00 -0.53 0.00 0.00 54.79 54.95 1rk7 n ASP 109 Cb 0.90 0.30 0.19 0.00 -0.64 0.00 0.00 41.12 41.87 1rk7 n ASP 109 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1rk7 n HIS 110 N -3.49 0.81 -1.66 1.24 8.25 -1.26 -4.94 115.22 114.17 1rk7 n HIS 110 Ca 0.00 -0.32 -0.62 0.00 -0.26 0.00 0.00 57.72 56.52 1rk7 n HIS 110 Cb 0.00 -0.17 -0.09 0.00 1.12 0.00 0.00 29.99 30.85 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 0.45 1.67 -0.00 0.41 2.88 -1.10 -3.07 113.62 114.85 1rk7 n SER 111 Ca 0.13 1.04 0.10 0.00 -1.33 0.00 0.00 58.87 58.81 1rk7 n SER 111 Cb 0.55 -1.01 -0.12 0.00 -0.75 0.00 0.00 64.21 62.88 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 4.73 0.00 -1.59 2.46 -6.64 -0.60 -4.95 119.36 112.77 1rk7 n ILE 112 Ca 0.33 -0.15 -0.50 0.00 -1.77 0.00 0.00 62.75 60.65 1rk7 n ILE 112 Cb 0.03 0.74 -0.05 0.00 -1.44 0.00 0.00 39.64 38.92 1rk7 n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.77 0.00 0.00 176.55 174.40 1rk7 n ILE 113 N -1.67 0.39 0.00 7.28 5.41 -1.26 -2.56 119.36 126.95 1rk7 n ILE 113 Ca 0.02 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.67 1rk7 n ILE 113 Cb 0.37 -0.86 0.00 0.00 -0.71 0.00 0.00 39.64 38.44 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 2.33 1.18 3.51 7.39 0.00 -1.24 -4.67 105.19 113.67 1rk7 n GLY 114 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.48 3.56 -0.50 1.61 0.52 -1.06 -4.23 118.95 118.37 1rk7 s ARG 115 Ca 0.00 -1.38 -0.26 0.00 -0.52 0.00 0.00 55.73 53.57 1rk7 s ARG 115 Cb 0.00 -5.08 -0.06 0.00 0.52 0.00 0.00 34.95 30.33 1rk7 s ARG 115 CO 0.00 -1.99 2.32 0.99 0.02 0.00 0.00 175.30 176.64 1rk7 s THR 116 N 3.91 3.06 -0.39 0.02 2.01 -1.26 -3.63 115.64 119.37 1rk7 s THR 116 Ca 0.39 0.04 -0.29 0.00 0.31 0.00 0.00 61.69 62.14 1rk7 s THR 116 Cb -0.03 -3.16 0.01 0.00 0.01 0.00 0.00 72.50 69.32 1rk7 s THR 116 CO -0.08 -0.16 1.42 -0.22 -0.69 0.00 0.00 174.62 174.90 1rk7 s LEU 117 N 11.65 3.63 -0.21 4.42 2.96 -1.11 -1.15 118.68 138.87 1rk7 s LEU 117 Ca 0.93 0.93 -0.04 0.00 -0.22 0.00 0.00 54.13 55.73 1rk7 s LEU 117 Cb -0.17 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.05 1rk7 s LEU 117 CO 0.25 -1.40 0.08 0.54 -1.32 0.00 0.00 176.35 174.50 1rk7 s VAL 118 N 5.36 0.22 1.03 1.68 0.11 -1.26 0.14 120.40 127.68 1rk7 s VAL 118 Ca 0.62 -0.50 -0.14 0.00 -2.93 0.00 0.00 61.98 59.02 1rk7 s VAL 118 Cb -0.15 -0.89 0.20 0.00 -1.53 0.00 0.00 36.38 34.01 1rk7 s VAL 118 CO 0.31 -0.35 1.13 0.68 -3.33 0.00 0.00 175.10 173.54 1rk7 s VAL 119 N 1.99 1.90 -0.01 2.04 -7.23 -1.22 -4.02 120.40 113.84 1rk7 s VAL 119 Ca 0.03 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.23 1rk7 s VAL 119 Cb -0.17 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 1rk7 s VAL 119 CO -0.14 0.00 -0.09 -1.00 -0.31 0.00 0.00 175.10 173.56 1rk7 s HIS 120 N -3.15 2.84 0.54 2.82 3.76 -1.26 -2.47 115.29 118.37 1rk7 s HIS 120 Ca 0.67 -0.06 0.33 0.00 -0.15 0.00 0.00 55.06 55.84 1rk7 s HIS 120 Cb -0.14 -1.61 1.50 0.00 1.11 0.00 0.00 32.58 33.43 1rk7 s HIS 120 CO 0.55 0.33 1.87 1.49 -0.85 0.00 0.00 174.74 178.14 1rk7 h GLU 121 N 4.74 0.00 0.00 1.40 4.22 -1.91 -3.35 114.58 119.68 1rk7 h GLU 121 Ca -0.48 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 58.86 1rk7 h GLU 121 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1rk7 h GLU 121 CO 0.52 0.00 -0.09 1.63 -2.18 0.00 0.00 179.01 178.90 1rk7 n LYS 122 N -4.23 0.09 -1.72 1.92 5.02 -1.09 -4.83 118.16 113.33 1rk7 n LYS 122 Ca 0.20 -0.68 -0.07 0.00 -2.02 0.00 0.00 58.31 55.74 1rk7 n LYS 122 Cb 1.02 0.57 0.03 0.00 -0.02 0.00 0.00 35.03 36.62 1rk7 n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rk7 n ALA 123 N -2.53 0.44 0.41 7.82 0.00 -1.09 -1.24 120.51 124.33 1rk7 n ALA 123 Ca -0.02 -0.78 0.05 0.00 0.00 0.00 0.00 53.44 52.68 1rk7 n ALA 123 Cb 0.12 0.21 -0.01 0.00 0.00 0.00 0.00 19.45 19.78 1rk7 n ALA 123 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1rk7 n ASP 124 N -2.76 1.10 -2.27 0.00 5.68 -1.24 -4.23 116.55 112.83 1rk7 n ASP 124 Ca 0.06 -1.05 -0.19 0.00 -0.50 0.00 0.00 54.79 53.11 1rk7 n ASP 124 Cb 0.22 0.51 -0.00 0.00 -1.14 0.00 0.00 41.12 40.71 1rk7 n ASP 124 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1rk7 n ASP 125 N -0.35 -5.55 -1.56 -1.12 -0.08 -1.26 -0.94 116.55 105.70 1rk7 n ASP 125 Ca 0.04 -0.05 -0.13 0.00 -1.51 0.00 0.00 54.79 53.13 1rk7 n ASP 125 Cb 0.19 -4.56 -0.05 0.00 2.34 0.00 0.00 41.12 39.04 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 -2.89 -1.02 0.00 -2.67 4.77 -1.26 -4.37 117.00 109.56 1rk7 n LEU 126 Ca -0.21 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1rk7 n LEU 126 Cb 0.66 -2.06 0.00 0.00 -2.33 0.00 0.00 43.42 39.70 1rk7 n LEU 126 CO 0.29 -0.61 0.00 0.61 -1.33 0.00 0.00 177.39 176.35 1rk7 n GLY 127 N -0.34 2.29 0.09 -0.72 0.00 -0.11 -5.00 105.19 101.40 1rk7 n GLY 127 Ca -0.14 -1.19 -0.14 0.00 0.00 0.00 0.00 46.02 44.55 1rk7 n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rk7 h LYS 128 N 0.00 0.13 0.00 1.61 1.57 -1.76 -3.49 116.57 114.64 1rk7 h LYS 128 Ca 0.00 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1rk7 h LYS 128 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1rk7 h LYS 128 CO 0.00 0.84 0.00 0.41 -0.57 0.00 0.00 179.45 180.13 1rk7 n GLY 129 N 0.90 2.62 3.76 3.86 0.00 -1.26 -5.13 105.19 109.95 1rk7 n GLY 129 Ca -0.09 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 1rk7 n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rk7 s GLY 130 N 0.00 2.85 -0.93 -0.02 0.00 -1.26 -5.00 107.32 102.96 1rk7 s GLY 130 Ca 0.00 0.32 -0.18 0.00 0.00 0.00 0.00 44.72 44.85 1rk7 s GLY 130 CO 0.00 0.96 1.12 -1.31 0.00 0.00 0.00 173.10 173.86 1rk7 s ASN 131 N -0.65 6.65 0.00 1.64 -0.87 -1.26 -4.28 114.94 116.17 1rk7 s ASN 131 Ca 0.37 -2.12 0.00 0.00 -1.57 0.00 0.00 52.86 49.54 1rk7 s ASN 131 Cb -0.22 -2.39 0.00 0.00 -0.02 0.00 0.00 41.25 38.62 1rk7 s ASN 131 CO 0.25 -1.02 0.00 -0.62 -2.57 0.00 0.00 177.10 173.13 1rk7 n GLU 132 N 6.36 0.00 0.01 -0.60 1.02 -1.26 -4.97 120.64 121.20 1rk7 n GLU 132 Ca 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1rk7 n GLU 132 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 1rk7 n GLU 132 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1rk7 n GLN 133 N 0.00 0.00 0.12 3.49 -0.06 -1.26 -4.94 117.38 114.73 1rk7 n GLN 133 Ca 0.00 0.00 0.07 0.00 -2.00 0.00 0.00 57.00 55.07 1rk7 n GLN 133 Cb 0.00 0.00 0.02 0.00 -4.06 0.00 0.00 30.24 26.20 1rk7 n GLN 133 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1rk7 h SER 134 N 0.00 0.00 1.25 1.69 4.64 -1.86 -0.95 113.55 118.32 1rk7 h SER 134 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rk7 h SER 134 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rk7 h SER 134 CO 0.00 0.24 0.00 0.35 -0.87 0.00 0.00 176.83 176.55 1rk7 n THR 135 N -2.93 0.64 -0.06 2.95 -2.24 -1.26 -3.43 114.28 107.95 1rk7 n THR 135 Ca -0.01 -0.13 -0.07 0.00 -2.27 0.00 0.00 64.05 61.57 1rk7 n THR 135 Cb 0.65 -0.74 -0.08 0.00 -2.10 0.00 0.00 70.33 68.06 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 -2.22 1.67 0.00 -0.78 5.02 -1.22 0.18 118.16 120.81 1rk7 n LYS 136 Ca 0.05 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1rk7 n LYS 136 Cb 0.37 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 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 -2.55 0.00 -2.04 -0.18 -2.24 -0.39 -4.96 114.28 101.92 1rk7 n THR 137 Ca -0.20 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.58 1rk7 n THR 137 Cb 0.83 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 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 0.28 -0.45 2.13 3.38 0.00 -1.01 -4.76 105.19 104.76 1rk7 n GLY 138 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.11 -1.80 -1.62 1.61 5.15 -1.12 -3.66 115.26 113.71 1rk7 n ASN 139 Ca -0.03 0.30 -0.00 0.00 -0.60 0.00 0.00 54.58 54.25 1rk7 n ASN 139 Cb 0.43 -1.73 0.00 0.00 -0.53 0.00 0.00 39.78 37.96 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 -1.81 -1.95 -3.09 5.20 0.00 -1.26 -4.98 120.51 112.62 1rk7 n ALA 140 Ca -0.05 -0.05 -0.45 0.00 0.00 0.00 0.00 53.44 52.89 1rk7 n ALA 140 Cb 0.42 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 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 -0.03 2.28 0.00 0.00 0.00 -1.26 -2.68 107.32 105.63 1rk7 s GLY 141 Ca 0.00 -3.05 0.25 0.00 0.00 0.00 0.00 44.72 41.93 1rk7 s GLY 141 CO -0.00 1.71 1.48 -1.26 0.00 0.00 0.00 173.10 175.02 1rk7 n SER 142 N 5.39 0.48 -2.84 1.64 2.88 -1.26 -4.96 113.62 114.95 1rk7 n SER 142 Ca 0.21 -0.22 -0.05 0.00 -1.33 0.00 0.00 58.87 57.48 1rk7 n SER 142 Cb 0.48 0.17 0.01 0.00 -0.75 0.00 0.00 64.21 64.11 1rk7 n SER 142 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1rk7 n ARG 143 N -1.45 -0.42 -4.41 -1.46 3.00 -1.25 -4.92 116.66 105.75 1rk7 n ARG 143 Ca 0.06 0.73 -0.24 0.00 -0.01 0.00 0.00 57.85 58.39 1rk7 n ARG 143 Cb 0.34 -0.95 -0.09 0.00 0.00 0.00 0.00 32.46 31.75 1rk7 n ARG 143 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 1rk7 s LEU 144 N -1.03 2.83 0.45 0.55 -0.00 -1.03 -5.01 118.68 115.43 1rk7 s LEU 144 Ca 0.05 -0.95 0.00 0.00 -0.00 0.00 0.00 54.13 53.23 1rk7 s LEU 144 Cb -0.01 -1.28 0.00 0.00 -0.00 0.00 0.00 46.19 44.90 1rk7 s LEU 144 CO 0.11 -0.05 0.00 0.00 -0.00 0.00 0.00 176.35 176.41 1rk7 n ALA 145 N -0.77 -3.83 -2.83 1.48 0.00 -1.26 -3.45 120.51 109.84 1rk7 n ALA 145 Ca -0.05 0.64 -0.11 0.00 0.00 0.00 0.00 53.44 53.92 1rk7 n ALA 145 Cb 0.61 -1.42 0.04 0.00 0.00 0.00 0.00 19.45 18.67 1rk7 n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rk7 n GLY 147 N 1.33 2.51 3.73 0.00 0.00 0.38 -4.62 105.19 108.52 1rk7 n GLY 147 Ca 0.11 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 4.82 0.47 -2.35 1.61 0.31 -1.26 -2.73 118.33 119.19 1rk7 n VAL 148 Ca 0.34 -0.12 -0.42 0.00 -0.01 0.00 0.00 64.34 64.13 1rk7 n VAL 148 Cb 0.15 -1.94 -0.03 0.00 -0.91 0.00 0.00 33.84 31.12 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 0.61 3.79 -0.04 2.52 -1.09 -1.24 -3.99 121.20 121.76 1rk7 s ILE 149 Ca 0.70 0.71 0.07 0.00 -2.23 0.00 0.00 60.65 59.90 1rk7 s ILE 149 Cb -0.52 -4.33 -0.02 0.00 -1.58 0.00 0.00 42.46 36.02 1rk7 s ILE 149 CO 0.40 -1.03 -0.24 -0.83 -1.23 0.00 0.00 174.94 172.01 1rk7 s GLY 150 N 4.50 1.31 0.60 6.18 0.00 -0.15 -3.73 107.32 116.04 1rk7 s GLY 150 Ca 0.56 -1.07 -0.19 0.00 0.00 0.00 0.00 44.72 44.02 1rk7 s GLY 150 CO 0.27 -0.77 1.23 1.39 0.00 0.00 0.00 173.10 175.22 1rk7 n ILE 151 N 2.69 4.25 -4.05 0.90 2.08 -1.26 0.99 119.36 124.96 1rk7 n ILE 151 Ca -0.17 -0.50 -0.10 0.00 0.56 0.00 0.00 62.75 62.54 1rk7 n ILE 151 Cb 0.52 -1.46 -0.07 0.00 -0.75 0.00 0.00 39.64 37.87 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 -1.38 0.24 -2.09 -1.39 0.00 -0.87 -4.73 121.76 111.53 1rk7 s ALA 152 Ca 0.77 -1.13 0.31 0.00 0.00 0.00 0.00 51.96 51.92 1rk7 s ALA 152 Cb -0.41 1.12 1.75 0.00 0.00 0.00 0.00 23.12 25.58 1rk7 s ALA 152 CO 0.45 -0.73 2.14 0.94 0.00 0.00 0.00 175.76 178.56