#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rk8 n ASP 5 N 0.00 -1.14 -3.67 4.31 8.00 -1.26 -4.56 116.55 118.22 1rk8 n ASP 5 Ca 0.00 0.52 -0.14 0.00 0.71 0.00 0.00 54.79 55.88 1rk8 n ASP 5 Cb 0.00 -1.25 -0.08 0.00 -0.02 0.00 0.00 41.12 39.77 1rk8 n ASP 5 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1rk8 s PHE 6 N -2.06 -0.48 -0.28 1.24 5.36 -1.25 -0.63 117.98 119.88 1rk8 s PHE 6 Ca 0.64 1.01 -0.25 0.00 -0.96 0.00 0.00 56.93 57.37 1rk8 s PHE 6 Cb -0.30 0.22 0.12 0.00 -0.34 0.00 0.00 43.02 42.71 1rk8 s PHE 6 CO 0.59 -0.39 1.02 -0.47 -1.46 0.00 0.00 175.22 174.52 1rk8 s TYR 7 N -0.53 -0.48 -0.14 10.12 5.04 -0.49 -3.59 117.35 127.28 1rk8 s TYR 7 Ca -0.06 1.16 -0.09 0.00 -2.44 0.00 0.00 57.07 55.63 1rk8 s TYR 7 Cb -0.03 0.36 0.05 0.00 0.35 0.00 0.00 41.96 42.69 1rk8 s TYR 7 CO 0.04 -0.24 0.34 -1.17 -1.34 0.00 0.00 175.55 173.18 1rk8 s LEU 8 N 0.17 0.34 -0.07 6.97 0.20 -1.05 -0.48 118.68 124.76 1rk8 s LEU 8 Ca 0.03 0.72 -0.05 0.00 0.69 0.00 0.00 54.13 55.52 1rk8 s LEU 8 Cb -0.05 1.12 0.02 0.00 -0.43 0.00 0.00 46.19 46.86 1rk8 s LEU 8 CO -0.06 -0.16 0.18 -0.60 -0.29 0.00 0.00 176.35 175.42 1rk8 s ARG 9 N 0.89 0.18 -0.03 1.98 3.52 -0.29 -0.51 118.95 124.68 1rk8 s ARG 9 Ca -0.06 0.30 0.02 0.00 -0.13 0.00 0.00 55.73 55.87 1rk8 s ARG 9 Cb -0.07 0.02 0.01 0.00 -1.56 0.00 0.00 34.95 33.35 1rk8 s ARG 9 CO -0.07 -0.07 -0.09 -0.47 -0.81 0.00 0.00 175.30 173.80 1rk8 s TYR 10 N 0.45 0.98 0.00 5.12 5.04 -0.51 -1.36 117.35 127.07 1rk8 s TYR 10 Ca -0.03 -0.26 0.02 0.00 -2.44 0.00 0.00 57.07 54.36 1rk8 s TYR 10 Cb -0.04 -0.72 -0.01 0.00 0.35 0.00 0.00 41.96 41.54 1rk8 s TYR 10 CO -0.02 -0.13 -0.06 -0.47 -1.34 0.00 0.00 175.55 173.54 1rk8 s TYR 11 N 0.32 0.49 -0.10 4.97 5.04 -0.26 -1.99 117.35 125.82 1rk8 s TYR 11 Ca -0.05 -0.16 -0.07 0.00 -2.44 0.00 0.00 57.07 54.35 1rk8 s TYR 11 Cb -0.10 -0.31 0.04 0.00 0.35 0.00 0.00 41.96 41.94 1rk8 s TYR 11 CO 0.01 -0.02 0.25 0.54 -1.34 0.00 0.00 175.55 174.99 1rk8 s VAL 12 N -0.36 -0.03 -2.21 3.14 0.11 -0.61 -0.45 120.40 120.00 1rk8 s VAL 12 Ca -0.00 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1rk8 s VAL 12 Cb -0.03 -0.38 0.00 0.00 -1.53 0.00 0.00 36.38 34.43 1rk8 s VAL 12 CO -0.00 0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.42 1rk8 n GLY 13 N 3.81 -0.62 3.47 6.54 0.00 -0.36 -0.81 105.19 117.22 1rk8 n GLY 13 Ca -0.21 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 1rk8 n GLY 13 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1rk8 s HIS 20 N -3.00 2.96 0.01 1.61 5.65 -1.26 0.37 115.29 121.64 1rk8 s HIS 20 Ca 0.00 -1.21 -0.18 0.00 0.25 0.00 0.00 55.06 53.92 1rk8 s HIS 20 Cb 0.00 -4.37 -0.06 0.00 -1.18 0.00 0.00 32.58 26.97 1rk8 s HIS 20 CO 0.00 -1.59 0.52 -1.83 -0.65 0.00 0.00 174.74 171.19 1rk8 s GLU 21 N 3.26 4.17 0.08 2.88 4.04 -1.26 -5.06 118.70 126.81 1rk8 s GLU 21 Ca 0.35 0.62 -0.27 0.00 0.04 0.00 0.00 54.97 55.70 1rk8 s GLU 21 Cb -0.05 -3.28 0.08 0.00 0.02 0.00 0.00 34.13 30.91 1rk8 s GLU 21 CO -0.08 0.53 0.98 -0.59 -1.84 0.00 0.00 175.26 174.27 1rk8 s PHE 22 N -0.69 -0.19 -0.04 4.83 -0.12 -1.26 -5.04 117.98 115.48 1rk8 s PHE 22 Ca 0.28 -0.04 0.01 0.00 -0.05 0.00 0.00 56.93 57.13 1rk8 s PHE 22 Cb -0.18 0.60 0.02 0.00 -0.63 0.00 0.00 43.02 42.82 1rk8 s PHE 22 CO 0.16 -0.66 -0.06 -1.17 -0.05 0.00 0.00 175.22 173.44 1rk8 s LEU 23 N -2.78 1.51 -0.13 -1.99 2.96 0.01 -4.27 118.68 113.99 1rk8 s LEU 23 Ca 0.10 -0.14 -0.11 0.00 -0.22 0.00 0.00 54.13 53.77 1rk8 s LEU 23 Cb -0.01 -0.46 0.04 0.00 0.50 0.00 0.00 46.19 46.26 1rk8 s LEU 23 CO -0.02 -0.01 0.33 -0.70 -1.32 0.00 0.00 176.35 174.62 1rk8 s GLU 24 N 0.63 0.37 -0.01 1.98 2.12 0.14 -1.57 118.70 122.36 1rk8 s GLU 24 Ca -0.09 0.49 -0.10 0.00 0.36 0.00 0.00 54.97 55.64 1rk8 s GLU 24 Cb -0.12 0.14 0.01 0.00 0.26 0.00 0.00 34.13 34.42 1rk8 s GLU 24 CO 0.00 -0.07 0.20 -0.59 -0.54 0.00 0.00 175.26 174.27 1rk8 s PHE 25 N 0.37 -0.06 -0.04 5.30 -0.12 -0.84 -0.36 117.98 122.23 1rk8 s PHE 25 Ca -0.02 0.08 -0.05 0.00 -0.05 0.00 0.00 56.93 56.89 1rk8 s PHE 25 Cb -0.03 0.01 0.01 0.00 -0.63 0.00 0.00 43.02 42.38 1rk8 s PHE 25 CO -0.01 -0.30 0.13 -2.00 -0.05 0.00 0.00 175.22 172.99 1rk8 s GLU 26 N -1.18 0.20 -0.23 1.99 2.12 -0.15 -1.42 118.70 120.02 1rk8 s GLU 26 Ca -0.13 0.12 -0.01 0.00 0.36 0.00 0.00 54.97 55.31 1rk8 s GLU 26 Cb -0.06 0.09 0.02 0.00 0.26 0.00 0.00 34.13 34.44 1rk8 s GLU 26 CO 0.02 -0.03 -0.10 -0.06 -0.54 0.00 0.00 175.26 174.56 1rk8 s PHE 27 N -0.11 2.99 0.55 5.30 0.40 0.33 -1.06 117.98 126.38 1rk8 s PHE 27 Ca -0.02 -1.51 -0.06 0.00 -0.60 0.00 0.00 56.93 54.74 1rk8 s PHE 27 Cb -0.02 -2.02 -0.01 0.00 0.51 0.00 0.00 43.02 41.48 1rk8 s PHE 27 CO 0.00 -0.73 0.87 -0.98 0.70 0.00 0.00 175.22 175.09 1rk8 s ARG 28 N 1.33 3.17 0.45 0.44 3.03 -0.43 -2.54 118.95 124.40 1rk8 s ARG 28 Ca 0.02 0.11 0.17 0.00 2.03 0.00 0.00 55.73 58.06 1rk8 s ARG 28 Cb -0.15 -2.30 1.12 0.00 -1.03 0.00 0.00 34.95 32.59 1rk8 s ARG 28 CO -0.06 -0.52 1.94 -1.35 -1.13 0.00 0.00 175.30 174.18 1rk8 h PRO 29 N -0.05 0.32 -0.00 3.89 0.11 -1.90 -1.10 132.00 133.27 1rk8 h PRO 29 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1rk8 h PRO 29 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1rk8 h PRO 29 CO 0.61 0.21 0.00 -0.40 -0.21 0.00 0.00 178.00 178.21 1rk8 n ASP 30 N -4.46 0.02 0.00 -2.05 5.75 -1.26 -4.86 116.55 109.69 1rk8 n ASP 30 Ca 0.13 -1.53 0.00 0.00 -0.01 0.00 0.00 54.79 53.38 1rk8 n ASP 30 Cb 0.52 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1rk8 n ASP 30 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rk8 n GLY 31 N 0.74 0.74 3.68 6.12 0.00 -0.41 -4.86 105.19 111.21 1rk8 n GLY 31 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1rk8 n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rk8 s LYS 32 N -0.56 4.29 -0.23 1.61 2.20 -1.25 -1.14 119.74 124.67 1rk8 s LYS 32 Ca 0.00 1.87 -0.05 0.00 -0.36 0.00 0.00 55.97 57.42 1rk8 s LYS 32 Cb 0.00 -3.61 -0.02 0.00 -1.51 0.00 0.00 37.83 32.69 1rk8 s LYS 32 CO 0.00 -0.57 0.01 -1.17 -0.36 0.00 0.00 175.35 173.26 1rk8 s LEU 33 N 2.54 3.19 -0.13 5.43 2.96 0.16 -1.32 118.68 131.51 1rk8 s LEU 33 Ca 0.61 -0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 54.22 1rk8 s LEU 33 Cb -0.29 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 1rk8 s LEU 33 CO 0.24 -0.01 -0.05 0.00 -1.32 0.00 0.00 176.35 175.22 1rk8 s ARG 34 N 1.43 3.45 -0.01 1.98 1.70 -0.23 -1.75 118.95 125.52 1rk8 s ARG 34 Ca 0.05 -0.53 0.04 0.00 -0.47 0.00 0.00 55.73 54.82 1rk8 s ARG 34 Cb -0.15 -2.83 -0.01 0.00 -0.57 0.00 0.00 34.95 31.40 1rk8 s ARG 34 CO 0.01 0.34 -0.14 -0.47 -1.08 0.00 0.00 175.30 173.96 1rk8 s TYR 35 N 0.07 1.29 -0.18 5.89 5.04 0.17 -0.98 117.35 128.66 1rk8 s TYR 35 Ca -0.01 -0.25 -0.11 0.00 -2.44 0.00 0.00 57.07 54.27 1rk8 s TYR 35 Cb -0.14 -0.83 0.06 0.00 0.35 0.00 0.00 41.96 41.40 1rk8 s TYR 35 CO 0.03 -0.03 0.43 0.00 -1.34 0.00 0.00 175.55 174.64 1rk8 s ALA 36 N -0.31 -1.11 0.00 3.97 0.00 0.51 -0.84 121.76 123.98 1rk8 s ALA 36 Ca 0.05 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1rk8 s ALA 36 Cb -0.06 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.13 1rk8 s ALA 36 CO -0.00 -0.26 0.00 -1.71 0.00 0.00 0.00 175.76 173.78 1rk8 n ASN 37 N 4.03 0.00 -4.79 0.00 4.05 -1.26 0.27 115.26 117.55 1rk8 n ASN 37 Ca -0.21 0.00 -0.22 0.00 0.45 0.00 0.00 54.58 54.59 1rk8 n ASN 37 Cb 0.56 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 41.52 1rk8 n ASN 37 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 1rk8 s MET 46 N -1.00 2.83 -0.15 1.20 -2.45 -1.26 -4.81 119.30 113.65 1rk8 s MET 46 Ca 0.00 -1.09 -0.05 0.00 -1.25 0.00 0.00 55.69 53.30 1rk8 s MET 46 Cb 0.00 -2.51 0.06 0.00 1.25 0.00 0.00 34.83 33.63 1rk8 s MET 46 CO 0.00 0.40 0.09 0.42 1.05 0.00 0.00 175.02 176.98 1rk8 s ILE 47 N -2.13 -0.10 -0.22 10.11 -1.09 -1.26 -5.12 121.20 121.40 1rk8 s ILE 47 Ca 0.32 -0.08 0.01 0.00 -2.23 0.00 0.00 60.65 58.67 1rk8 s ILE 47 Cb -0.08 -0.52 0.05 0.00 -1.58 0.00 0.00 42.46 40.33 1rk8 s ILE 47 CO 0.24 -0.22 -0.10 -0.13 -1.23 0.00 0.00 174.94 173.51 1rk8 s ARG 48 N 2.15 2.00 0.17 2.79 3.00 -1.26 -3.96 118.95 123.85 1rk8 s ARG 48 Ca 0.03 -0.99 0.10 0.00 0.00 0.00 0.00 55.73 54.86 1rk8 s ARG 48 Cb -0.15 -2.57 -0.04 0.00 0.00 0.00 0.00 34.95 32.18 1rk8 s ARG 48 CO -0.08 -0.49 -0.17 0.15 0.00 0.00 0.00 175.30 174.71 1rk8 s LYS 49 N 1.33 1.80 -0.04 3.54 -0.14 -0.02 -4.98 119.74 121.24 1rk8 s LYS 49 Ca -0.04 -1.34 -0.03 0.00 -1.36 0.00 0.00 55.97 53.21 1rk8 s LYS 49 Cb -0.18 -2.04 0.02 0.00 -1.68 0.00 0.00 37.83 33.95 1rk8 s LYS 49 CO -0.07 0.43 0.09 -1.21 -0.76 0.00 0.00 175.35 173.83 1rk8 s GLU 50 N -2.60 0.08 0.02 1.68 2.02 -1.26 -0.65 118.70 117.98 1rk8 s GLU 50 Ca 0.22 0.17 -0.28 0.00 0.02 0.00 0.00 54.97 55.10 1rk8 s GLU 50 Cb -0.09 -0.03 0.08 0.00 0.10 0.00 0.00 34.13 34.19 1rk8 s GLU 50 CO 0.12 -0.06 0.72 0.00 0.02 0.00 0.00 175.26 176.06 1rk8 s ALA 51 N 0.38 -1.74 -0.22 5.21 0.00 -0.72 -5.01 121.76 119.66 1rk8 s ALA 51 Ca -0.03 1.02 -0.07 0.00 0.00 0.00 0.00 51.96 52.89 1rk8 s ALA 51 Cb -0.04 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 1rk8 s ALA 51 CO -0.01 -0.54 0.06 -0.06 0.00 0.00 0.00 175.76 175.21 1rk8 s PHE 52 N -2.33 3.14 0.17 0.00 0.40 -1.26 0.39 117.98 118.50 1rk8 s PHE 52 Ca -0.04 -0.22 -0.07 0.00 -0.60 0.00 0.00 56.93 56.01 1rk8 s PHE 52 Cb -0.01 -2.17 -0.06 0.00 0.51 0.00 0.00 43.02 41.30 1rk8 s PHE 52 CO -0.02 -0.15 0.45 0.14 0.70 0.00 0.00 175.22 176.35 1rk8 s VAL 53 N 1.09 5.06 0.80 -0.44 -7.23 -0.29 -4.98 120.40 114.41 1rk8 s VAL 53 Ca 0.04 0.24 -0.12 0.00 -1.81 0.00 0.00 61.98 60.33 1rk8 s VAL 53 Cb -0.14 -3.62 0.08 0.00 0.56 0.00 0.00 36.38 33.25 1rk8 s VAL 53 CO 0.03 0.01 1.14 -2.28 -0.31 0.00 0.00 175.10 173.69 1rk8 s HIS 54 N -1.71 2.10 0.56 2.82 2.46 -1.26 -4.73 115.29 115.54 1rk8 s HIS 54 Ca 0.43 1.65 0.25 0.00 0.47 0.00 0.00 55.06 57.86 1rk8 s HIS 54 Cb -0.12 -3.28 1.59 0.00 -0.13 0.00 0.00 32.58 30.64 1rk8 s HIS 54 CO 0.23 -2.36 2.18 -0.56 -2.47 0.00 0.00 174.74 171.77 1rk8 h GLN 55 N -1.05 0.00 -0.20 2.88 3.07 -1.97 -1.29 115.11 116.54 1rk8 h GLN 55 Ca -0.45 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.23 1rk8 h GLN 55 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.81 1rk8 h GLN 55 CO 0.48 0.00 -0.14 0.66 0.09 0.00 0.00 178.83 179.92 1rk8 h SER 56 N 0.00 0.32 -0.32 0.06 4.64 -1.99 0.23 113.55 116.48 1rk8 h SER 56 Ca 0.03 -0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 61.14 1rk8 h SER 56 Cb 0.13 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1rk8 h SER 56 CO -0.00 0.49 -0.32 0.58 -0.87 0.00 0.00 176.83 176.71 1rk8 h VAL 57 N 0.31 1.29 -0.67 0.95 2.07 -1.58 -1.63 116.25 116.98 1rk8 h VAL 57 Ca 0.06 -1.49 -0.07 0.00 0.82 0.00 0.00 66.70 66.02 1rk8 h VAL 57 Cb 0.44 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1rk8 h VAL 57 CO 0.03 0.49 0.15 0.24 0.02 0.00 0.00 177.57 178.49 1rk8 h MET 58 N 0.56 1.07 -0.54 1.57 2.07 -1.34 -0.70 114.93 117.63 1rk8 h MET 58 Ca 0.05 -0.26 -0.03 0.00 -2.07 0.00 0.00 59.70 57.40 1rk8 h MET 58 Cb 0.90 -0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 30.46 1rk8 h MET 58 CO 0.08 0.95 0.22 1.49 1.07 0.00 0.00 176.91 180.73 1rk8 h GLU 59 N 1.02 0.80 -0.44 1.72 4.81 -0.83 -1.71 114.58 119.94 1rk8 h GLU 59 Ca 0.21 -0.14 -0.12 0.00 -0.13 0.00 0.00 59.36 59.19 1rk8 h GLU 59 Cb 0.37 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1rk8 h GLU 59 CO 0.00 0.69 -0.19 1.49 -0.73 0.00 0.00 179.01 180.27 1rk8 h GLU 60 N 0.72 0.85 -0.19 1.92 4.57 -1.00 -1.69 114.58 119.77 1rk8 h GLU 60 Ca 0.18 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1rk8 h GLU 60 Cb 0.19 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1rk8 h GLU 60 CO -0.02 0.97 0.12 1.25 -1.18 0.00 0.00 179.01 180.16 1rk8 h LEU 61 N 0.75 0.22 -0.89 1.64 5.85 -0.90 -1.25 115.31 120.73 1rk8 h LEU 61 Ca 0.11 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1rk8 h LEU 61 Cb 0.72 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1rk8 h LEU 61 CO 0.06 0.18 0.54 0.11 -0.34 0.00 0.00 178.44 178.99 1rk8 h LYS 62 N 0.24 1.21 -0.56 1.25 1.79 -1.19 -1.28 116.57 118.03 1rk8 h LYS 62 Ca 0.07 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1rk8 h LYS 62 Cb -0.01 -0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 30.36 1rk8 h LYS 62 CO -0.01 0.85 0.31 -0.09 -1.08 0.00 0.00 179.45 179.43 1rk8 h ARG 63 N 1.23 0.78 -0.52 3.15 2.43 -0.88 -0.10 114.38 120.47 1rk8 h ARG 63 Ca 0.32 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1rk8 h ARG 63 Cb -0.05 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 1rk8 h ARG 63 CO -0.06 0.60 0.22 0.82 -1.51 0.00 0.00 179.97 180.04 1rk8 h ILE 64 N 0.76 1.21 -0.18 1.20 2.04 -0.84 0.13 117.51 121.82 1rk8 h ILE 64 Ca 0.20 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1rk8 h ILE 64 Cb 0.04 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1rk8 h ILE 64 CO -0.03 0.25 0.08 0.40 0.00 0.00 0.00 178.15 178.84 1rk8 h ILE 65 N 0.70 1.15 -0.66 -0.67 2.04 -0.94 -1.41 117.51 117.72 1rk8 h ILE 65 Ca 0.17 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 1rk8 h ILE 65 Cb 0.18 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1rk8 h ILE 65 CO -0.02 0.14 0.29 0.40 0.00 0.00 0.00 178.15 178.96 1rk8 h ILE 66 N 0.14 1.23 -0.08 -0.67 2.04 -0.87 -2.48 117.51 116.83 1rk8 h ILE 66 Ca 0.06 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 1rk8 h ILE 66 Cb 0.16 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1rk8 h ILE 66 CO -0.01 0.28 -0.14 -0.78 0.00 0.00 0.00 178.15 177.51 1rk8 h ASP 67 N 0.93 0.11 1.16 1.72 1.82 -0.80 -2.22 116.42 119.14 1rk8 h ASP 67 Ca 0.22 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1rk8 h ASP 67 Cb 0.17 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.15 1rk8 h ASP 67 CO -0.02 0.27 0.00 0.77 -1.61 0.00 0.00 179.24 178.64 1rk8 h SER 68 N 0.12 0.00 -0.28 2.28 4.64 -0.79 -3.46 113.55 116.06 1rk8 h SER 68 Ca 0.02 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.22 1rk8 h SER 68 Cb 0.32 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.36 1rk8 h SER 68 CO 0.02 0.00 -0.11 -0.62 -0.87 0.00 0.00 176.83 175.25 1rk8 n GLU 69 N -3.06 -1.52 0.16 4.77 1.02 -0.84 -4.84 120.64 116.34 1rk8 n GLU 69 Ca 0.01 0.65 0.18 0.00 -0.02 0.00 0.00 57.16 57.99 1rk8 n GLU 69 Cb 0.34 -4.90 0.79 0.00 -0.02 0.00 0.00 31.44 27.65 1rk8 n GLU 69 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1rk8 h ILE 70 N 0.00 0.48 0.00 -3.67 6.09 -1.85 0.06 117.51 118.62 1rk8 h ILE 70 Ca -0.12 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 1rk8 h ILE 70 Cb 0.94 0.78 0.00 0.00 0.47 0.00 0.00 36.82 39.01 1rk8 h ILE 70 CO 0.18 0.00 0.00 0.23 -3.07 0.00 0.00 178.15 175.49 1rk8 n MET 71 N -3.84 0.20 -0.20 2.19 2.81 -1.26 -2.16 117.12 114.86 1rk8 n MET 71 Ca 0.04 0.46 0.12 0.00 -1.81 0.00 0.00 57.70 56.51 1rk8 n MET 71 Cb 0.42 -1.91 0.24 0.00 -0.71 0.00 0.00 33.22 31.27 1rk8 n MET 71 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1rk8 n GLN 72 N -2.28 2.44 -2.95 0.03 3.00 0.01 -4.94 117.38 112.69 1rk8 n GLN 72 Ca 0.01 -2.19 -0.23 0.00 -0.01 0.00 0.00 57.00 54.59 1rk8 n GLN 72 Cb 0.20 -1.50 0.01 0.00 0.00 0.00 0.00 30.24 28.95 1rk8 n GLN 72 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1rk8 s GLU 73 N -1.48 3.04 -0.05 -1.09 0.41 -0.92 -5.11 118.70 113.51 1rk8 s GLU 73 Ca 0.39 -0.48 0.02 0.00 -0.41 0.00 0.00 54.97 54.48 1rk8 s GLU 73 Cb 0.22 -2.55 0.01 0.00 -1.78 0.00 0.00 34.13 30.04 1rk8 s GLU 73 CO 0.31 -0.30 -0.09 0.34 -0.49 0.00 0.00 175.26 175.03 1rk8 s ASP 74 N -4.23 1.35 0.00 -0.19 3.68 -1.26 -5.04 116.67 110.98 1rk8 s ASP 74 Ca 0.49 -0.21 0.16 0.00 2.13 0.00 0.00 52.55 55.11 1rk8 s ASP 74 Cb -0.10 -0.58 0.48 0.00 -1.45 0.00 0.00 42.92 41.27 1rk8 s ASP 74 CO 0.38 0.01 1.38 -0.90 0.13 0.00 0.00 175.17 176.17 1rk8 n ASP 75 N 3.76 2.07 -0.09 -0.34 3.85 -1.26 -4.49 116.55 120.05 1rk8 n ASP 75 Ca -0.23 -1.91 -0.06 0.00 -0.71 0.00 0.00 54.79 51.88 1rk8 n ASP 75 Cb 0.52 -0.22 0.00 0.00 -1.35 0.00 0.00 41.12 40.07 1rk8 n ASP 75 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1rk8 h LEU 76 N 2.42 -0.37 -0.30 -2.12 5.85 -1.96 -1.71 115.31 117.13 1rk8 h LEU 76 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1rk8 h LEU 76 Cb 0.55 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1rk8 h LEU 76 CO 0.00 -0.13 0.00 -2.65 -0.34 0.00 0.00 178.44 175.32 1rk8 n PRO 77 N -5.29 0.12 -2.58 5.25 -0.02 -1.26 -4.83 135.00 126.38 1rk8 n PRO 77 Ca 0.01 0.29 -0.33 0.00 -2.02 0.00 0.00 63.50 61.45 1rk8 n PRO 77 Cb 0.20 -1.70 -0.05 0.00 -0.02 0.00 0.00 33.50 31.94 1rk8 n PRO 77 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1rk8 s TRP 78 N -3.15 3.29 0.22 6.00 0.51 -0.65 -4.32 118.94 120.85 1rk8 s TRP 78 Ca 0.07 1.55 -0.32 0.00 -2.12 0.00 0.00 56.10 55.28 1rk8 s TRP 78 Cb 0.11 -2.87 -0.13 0.00 -0.81 0.00 0.00 33.47 29.76 1rk8 s TRP 78 CO 0.39 -0.38 1.54 -2.30 -0.51 0.00 0.00 176.95 175.70 1rk8 n PRO 79 N -1.10 2.31 -1.57 4.98 -0.02 -1.26 -4.99 135.00 133.35 1rk8 n PRO 79 Ca 0.07 0.83 -0.29 0.00 -2.02 0.00 0.00 63.50 62.09 1rk8 n PRO 79 Cb 0.54 -2.57 0.11 0.00 -0.02 0.00 0.00 33.50 31.55 1rk8 n PRO 79 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1rk8 s PRO 80 N 0.21 1.73 -0.06 0.52 0.04 -1.26 -2.22 135.00 133.97 1rk8 s PRO 80 Ca 0.72 0.48 -0.38 0.00 0.04 0.00 0.00 61.00 61.86 1rk8 s PRO 80 Cb -0.61 -1.89 -0.16 0.00 0.04 0.00 0.00 34.50 31.88 1rk8 s PRO 80 CO 0.43 -1.83 1.50 -2.30 0.04 0.00 0.00 177.00 174.84 1rk8 n PRO 81 N -3.55 1.17 -0.22 0.56 -0.02 -1.25 -3.36 135.00 128.33 1rk8 n PRO 81 Ca 0.07 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1rk8 n PRO 81 Cb 0.58 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1rk8 n PRO 81 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1rk8 n ASP 82 N 3.68 0.00 -0.02 2.55 9.92 -0.59 -4.88 116.55 127.21 1rk8 n ASP 82 Ca 0.22 -0.33 -0.09 0.00 -0.53 0.00 0.00 54.79 54.06 1rk8 n ASP 82 Cb 0.17 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.51 1rk8 n ASP 82 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1rk8 n ARG 83 N -0.33 0.64 0.21 -1.24 5.12 -1.26 -3.75 116.66 116.05 1rk8 n ARG 83 Ca 0.00 0.29 0.15 0.00 -1.93 0.00 0.00 57.85 56.35 1rk8 n ARG 83 Cb 0.00 -1.78 0.55 0.00 -1.16 0.00 0.00 32.46 30.07 1rk8 n ARG 83 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 1rk8 h VAL 84 N 0.00 0.00 0.00 1.55 3.04 -1.96 -3.48 116.25 115.40 1rk8 h VAL 84 Ca -0.30 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 64.92 1rk8 h VAL 84 Cb 2.02 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 32.69 1rk8 h VAL 84 CO 0.08 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.25 1rk8 n GLY 85 N 0.22 -0.73 3.27 3.17 0.00 -1.25 -4.93 105.19 104.94 1rk8 n GLY 85 Ca 0.02 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 1rk8 n GLY 85 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rk8 s ARG 86 N -1.57 1.07 0.02 1.61 1.70 0.16 -1.54 118.95 120.40 1rk8 s ARG 86 Ca 0.00 -1.29 0.04 0.00 -0.47 0.00 0.00 55.73 54.01 1rk8 s ARG 86 Cb 0.00 0.32 -0.02 0.00 -0.57 0.00 0.00 34.95 34.69 1rk8 s ARG 86 CO 0.00 -0.36 -0.11 -0.65 -1.08 0.00 0.00 175.30 173.10 1rk8 s GLN 87 N -4.00 0.76 -0.04 3.89 -0.21 0.16 -1.22 119.66 118.99 1rk8 s GLN 87 Ca 0.20 -0.58 0.02 0.00 0.02 0.00 0.00 55.36 55.02 1rk8 s GLN 87 Cb 0.05 -0.72 0.02 0.00 1.00 0.00 0.00 33.01 33.36 1rk8 s GLN 87 CO 0.01 0.18 -0.06 -1.21 -2.12 0.00 0.00 175.29 172.09 1rk8 s GLU 88 N -0.86 0.93 -0.16 2.91 2.02 0.41 -0.95 118.70 122.99 1rk8 s GLU 88 Ca 0.00 -0.19 -0.02 0.00 0.02 0.00 0.00 54.97 54.78 1rk8 s GLU 88 Cb -0.06 -0.88 0.05 0.00 0.10 0.00 0.00 34.13 33.33 1rk8 s GLU 88 CO 0.00 -0.01 0.00 -1.17 0.02 0.00 0.00 175.26 174.10 1rk8 s LEU 89 N 0.65 1.26 -0.14 1.80 2.96 -0.25 -1.10 118.68 123.86 1rk8 s LEU 89 Ca -0.09 -0.65 0.01 0.00 -0.22 0.00 0.00 54.13 53.17 1rk8 s LEU 89 Cb -0.13 -0.68 -0.00 0.00 0.50 0.00 0.00 46.19 45.88 1rk8 s LEU 89 CO 0.01 -0.25 -0.17 -1.61 -1.32 0.00 0.00 176.35 173.01 1rk8 s GLU 90 N 1.79 3.21 -0.03 1.98 2.02 -0.46 -0.52 118.70 126.68 1rk8 s GLU 90 Ca 0.00 -0.77 -0.02 0.00 0.02 0.00 0.00 54.97 54.21 1rk8 s GLU 90 Cb -0.16 -2.56 0.02 0.00 0.10 0.00 0.00 34.13 31.53 1rk8 s GLU 90 CO -0.07 0.08 0.08 0.42 0.02 0.00 0.00 175.26 175.79 1rk8 s ILE 91 N 0.64 -0.02 -0.08 -1.63 1.01 -0.63 -1.14 121.20 119.35 1rk8 s ILE 91 Ca -0.09 0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.64 1rk8 s ILE 91 Cb -0.16 -0.13 0.02 0.00 0.01 0.00 0.00 42.46 42.20 1rk8 s ILE 91 CO 0.02 0.03 -0.09 -0.69 0.00 0.00 0.00 174.94 174.21 1rk8 s VAL 92 N 0.43 1.02 -0.27 2.92 1.01 0.37 -0.71 120.40 125.16 1rk8 s VAL 92 Ca -0.03 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 1rk8 s VAL 92 Cb -0.05 -0.98 0.09 0.00 0.00 0.00 0.00 36.38 35.44 1rk8 s VAL 92 CO -0.02 0.34 0.10 -0.63 0.00 0.00 0.00 175.10 174.90 1rk8 s ILE 93 N 1.10 0.27 0.00 2.22 1.01 -0.20 -1.39 121.20 124.20 1rk8 s ILE 93 Ca -0.07 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1rk8 s ILE 93 Cb -0.14 -1.13 0.00 0.00 0.01 0.00 0.00 42.46 41.19 1rk8 s ILE 93 CO -0.01 -0.60 0.00 0.61 0.00 0.00 0.00 174.94 174.94 1rk8 n GLY 94 N 5.12 2.63 0.01 6.18 0.00 0.19 -2.11 105.19 117.22 1rk8 n GLY 94 Ca -0.05 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.78 1rk8 n GLY 94 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rk8 n ASP 95 N 8.21 0.68 -4.82 1.61 5.68 -1.26 -4.42 116.55 122.23 1rk8 n ASP 95 Ca 0.00 -0.47 -0.34 0.00 -0.50 0.00 0.00 54.79 53.47 1rk8 n ASP 95 Cb 0.00 0.81 -0.06 0.00 -1.14 0.00 0.00 41.12 40.73 1rk8 n ASP 95 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 1rk8 s GLU 96 N -3.11 4.23 0.04 0.11 4.04 -0.90 -5.07 118.70 118.04 1rk8 s GLU 96 Ca 0.06 0.94 -0.27 0.00 0.04 0.00 0.00 54.97 55.74 1rk8 s GLU 96 Cb 0.16 -2.58 0.08 0.00 0.02 0.00 0.00 34.13 31.80 1rk8 s GLU 96 CO 0.81 0.21 0.69 -3.38 -1.84 0.00 0.00 175.26 171.75 1rk8 s HIS 97 N -1.82 -0.56 0.03 4.83 0.00 -1.26 -1.03 115.29 115.48 1rk8 s HIS 97 Ca 0.52 0.66 -0.03 0.00 -3.00 0.00 0.00 55.06 53.20 1rk8 s HIS 97 Cb -0.13 0.49 -0.02 0.00 -4.00 0.00 0.00 32.58 28.92 1rk8 s HIS 97 CO 0.19 -0.69 0.04 0.96 -1.00 0.00 0.00 174.74 174.24 1rk8 s ILE 98 N -2.48 0.14 -0.29 -5.38 -4.36 0.11 -4.99 121.20 103.95 1rk8 s ILE 98 Ca -0.04 -1.15 -0.00 0.00 -0.26 0.00 0.00 60.65 59.20 1rk8 s ILE 98 Cb -0.01 -0.81 0.13 0.00 1.25 0.00 0.00 42.46 43.03 1rk8 s ILE 98 CO -0.02 -0.63 0.29 -0.55 0.24 0.00 0.00 174.94 174.26 1rk8 s SER 99 N -2.05 1.78 0.01 4.36 0.15 -1.25 -1.61 113.70 115.10 1rk8 s SER 99 Ca -0.06 -0.84 0.01 0.00 0.70 0.00 0.00 55.95 55.75 1rk8 s SER 99 Cb -0.02 0.45 -0.04 0.00 -1.71 0.00 0.00 66.02 64.70 1rk8 s SER 99 CO -0.04 -0.39 0.06 -0.36 1.20 0.00 0.00 173.24 173.71 1rk8 s PHE 100 N 2.29 3.22 -0.03 3.44 2.99 0.32 -4.95 117.98 125.25 1rk8 s PHE 100 Ca 0.10 0.15 -0.01 0.00 0.00 0.00 0.00 56.93 57.17 1rk8 s PHE 100 Cb -0.14 -1.70 0.03 0.00 0.00 0.00 0.00 43.02 41.21 1rk8 s PHE 100 CO -0.32 0.52 0.04 0.99 -0.00 0.00 0.00 175.22 176.45 1rk8 s THR 101 N -1.20 -0.01 0.20 0.64 2.01 -1.26 -1.09 115.64 114.93 1rk8 s THR 101 Ca 0.23 0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.52 1rk8 s THR 101 Cb -0.12 -0.18 -0.00 0.00 0.01 0.00 0.00 72.50 72.21 1rk8 s THR 101 CO 0.14 0.15 0.25 0.35 -0.69 0.00 0.00 174.62 174.82 1rk8 n THR 102 N 4.73 0.00 -2.53 -0.82 -2.24 -0.13 -4.64 114.28 108.66 1rk8 n THR 102 Ca -0.15 -1.12 -0.24 0.00 -2.27 0.00 0.00 64.05 60.27 1rk8 n THR 102 Cb 0.50 0.65 0.11 0.00 -2.10 0.00 0.00 70.33 69.48 1rk8 n THR 102 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1rk8 s SER 103 N -2.26 4.35 0.73 3.42 1.04 -0.94 0.35 113.70 120.39 1rk8 s SER 103 Ca 0.18 -0.27 -0.14 0.00 0.48 0.00 0.00 55.95 56.20 1rk8 s SER 103 Cb -0.00 -0.14 0.04 0.00 0.10 0.00 0.00 66.02 66.02 1rk8 s SER 103 CO 0.13 -1.86 1.17 -0.54 0.98 0.00 0.00 173.24 173.12 1rk8 s LYS 104 N -5.17 2.21 -0.39 4.02 1.02 -1.23 -4.24 119.74 115.96 1rk8 s LYS 104 Ca 0.66 1.60 0.08 0.00 0.02 0.00 0.00 55.97 58.33 1rk8 s LYS 104 Cb -0.06 -1.86 0.25 0.00 -0.52 0.00 0.00 37.83 35.64 1rk8 s LYS 104 CO 0.44 -1.74 0.52 2.41 -0.92 0.00 0.00 175.35 176.06 1rk8 n THR 105 N -2.84 -0.71 0.30 2.17 -1.04 -1.26 -4.98 114.28 105.91 1rk8 n THR 105 Ca 0.12 -3.96 0.18 0.00 -2.04 0.00 0.00 64.05 58.34 1rk8 n THR 105 Cb 0.51 -1.92 0.94 0.00 -1.82 0.00 0.00 70.33 68.05 1rk8 n THR 105 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1rk8 h GLY 106 N 4.06 0.00 -1.98 3.41 0.00 -1.98 -3.46 103.07 103.12 1rk8 h GLY 106 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1rk8 h GLY 106 CO 0.46 0.00 0.06 -1.35 0.00 0.00 0.00 176.54 175.70 1rk8 s SER 107 N -5.73 -0.08 0.35 0.19 1.04 -1.26 -5.04 113.70 103.18 1rk8 s SER 107 Ca -0.04 -0.87 0.10 0.00 0.48 0.00 0.00 55.95 55.63 1rk8 s SER 107 Cb 0.13 0.68 0.65 0.00 0.10 0.00 0.00 66.02 67.58 1rk8 s SER 107 CO 0.51 -1.29 1.81 -0.07 0.98 0.00 0.00 173.24 175.17 1rk8 h LEU 108 N 2.12 0.13 -1.87 2.42 3.38 -1.99 -2.42 115.31 117.07 1rk8 h LEU 108 Ca -0.24 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1rk8 h LEU 108 Cb 1.25 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1rk8 h LEU 108 CO 0.31 0.46 -0.11 1.62 0.09 0.00 0.00 178.44 180.81 1rk8 h VAL 109 N 0.12 0.94 0.06 1.22 3.04 -1.97 0.22 116.25 119.87 1rk8 h VAL 109 Ca 0.02 -0.39 -0.24 0.00 -1.01 0.00 0.00 66.70 65.08 1rk8 h VAL 109 Cb 0.64 1.22 -0.01 0.00 -2.01 0.00 0.00 31.29 31.12 1rk8 h VAL 109 CO 0.05 0.11 -1.08 0.44 -1.01 0.00 0.00 177.57 176.07 1rk8 h ASP 110 N 0.00 0.21 -0.11 3.17 3.32 -1.85 -3.25 116.42 117.91 1rk8 h ASP 110 Ca -0.00 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 56.76 1rk8 h ASP 110 Cb 0.21 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1rk8 h ASP 110 CO 0.01 1.15 -0.19 0.58 -1.72 0.00 0.00 179.24 179.07 1rk8 h VAL 111 N 0.05 1.38 0.00 -1.35 2.07 -0.93 -3.04 116.25 114.42 1rk8 h VAL 111 Ca -0.07 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1rk8 h VAL 111 Cb 1.82 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 33.63 1rk8 h VAL 111 CO 0.16 0.42 0.00 0.59 0.02 0.00 0.00 177.57 178.76 1rk8 n ASN 112 N -4.53 0.00 -0.91 0.57 3.02 0.65 -2.38 115.26 111.68 1rk8 n ASN 112 Ca -0.07 -0.73 0.07 0.00 -0.03 0.00 0.00 54.58 53.82 1rk8 n ASN 112 Cb 0.40 0.00 0.25 0.00 -0.61 0.00 0.00 39.78 39.82 1rk8 n ASN 112 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1rk8 n ARG 113 N -0.72 2.72 -4.04 3.52 3.00 -1.15 -4.94 116.66 115.05 1rk8 n ARG 113 Ca 0.05 -2.88 -0.25 0.00 -0.01 0.00 0.00 57.85 54.76 1rk8 n ARG 113 Cb 0.02 -1.84 -0.06 0.00 0.00 0.00 0.00 32.46 30.59 1rk8 n ARG 113 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1rk8 s SER 114 N -2.04 4.53 0.24 0.55 0.01 -1.00 -5.04 113.70 110.95 1rk8 s SER 114 Ca 0.42 -1.10 -0.02 0.00 1.31 0.00 0.00 55.95 56.56 1rk8 s SER 114 Cb 0.35 -0.26 0.27 0.00 0.21 0.00 0.00 66.02 66.59 1rk8 s SER 114 CO 0.08 -0.68 1.69 0.11 0.41 0.00 0.00 173.24 174.84 1rk8 h LYS 115 N 1.24 0.74 -2.43 12.44 6.56 -1.90 -3.31 116.57 129.91 1rk8 h LYS 115 Ca -0.42 -0.26 -0.60 0.00 -1.06 0.00 0.00 60.65 58.32 1rk8 h LYS 115 Cb 1.27 -0.05 -0.42 0.00 -0.57 0.00 0.00 32.23 32.46 1rk8 h LYS 115 CO 0.66 0.85 -0.65 -3.47 -2.06 0.00 0.00 179.45 174.78 1rk8 n ASP 116 N -4.15 3.05 -0.28 0.86 2.03 -1.26 -4.95 116.55 111.85 1rk8 n ASP 116 Ca 0.01 -3.27 0.00 0.00 0.52 0.00 0.00 54.79 52.05 1rk8 n ASP 116 Cb 0.38 -0.69 0.20 0.00 -0.72 0.00 0.00 41.12 40.29 1rk8 n ASP 116 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1rk8 h PRO 117 N 4.56 1.10 -0.61 -0.67 0.13 -1.77 -1.64 132.00 133.10 1rk8 h PRO 117 Ca 0.18 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 65.14 1rk8 h PRO 117 Cb 0.72 -0.25 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 1rk8 h PRO 117 CO 0.75 0.73 -0.01 0.93 -0.23 0.00 0.00 178.00 180.17 1rk8 h GLU 118 N 1.14 1.07 -0.22 0.86 4.39 -1.92 -0.17 114.58 119.73 1rk8 h GLU 118 Ca 0.32 -0.34 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 1rk8 h GLU 118 Cb -0.09 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1rk8 h GLU 118 CO -0.08 1.05 -0.36 0.78 -1.16 0.00 0.00 179.01 179.24 1rk8 h GLY 119 N 0.99 0.70 2.00 -3.84 0.00 -1.93 -2.95 103.07 98.04 1rk8 h GLY 119 Ca 0.17 -0.79 -0.05 0.00 0.00 0.00 0.00 47.33 46.66 1rk8 h GLY 119 CO 0.03 0.71 -0.25 -2.00 0.00 0.00 0.00 176.54 175.03 1rk8 h LEU 120 N 0.33 0.00 -0.70 3.11 5.85 -1.20 -2.19 115.31 120.51 1rk8 h LEU 120 Ca 0.02 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.60 1rk8 h LEU 120 Cb 0.95 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1rk8 h LEU 120 CO 0.08 0.25 -0.62 0.03 -0.34 0.00 0.00 178.44 177.84 1rk8 h ARG 121 N 0.00 0.11 -0.51 1.25 3.08 -0.93 0.65 114.38 118.04 1rk8 h ARG 121 Ca -0.00 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 1rk8 h ARG 121 Cb 0.50 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1rk8 h ARG 121 CO 0.03 0.69 -0.08 0.00 -1.07 0.00 0.00 179.97 179.54 1rk8 h PHE 123 N 0.83 0.31 -0.46 0.00 3.57 -1.15 -1.42 116.94 118.62 1rk8 h PHE 123 Ca 0.14 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.64 1rk8 h PHE 123 Cb 0.60 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 1rk8 h PHE 123 CO 0.04 0.48 0.20 -0.92 -2.23 0.00 0.00 178.31 175.87 1rk8 h TYR 124 N 0.05 0.36 -0.21 0.41 3.20 -0.60 -0.72 116.97 119.47 1rk8 h TYR 124 Ca 0.05 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.76 1rk8 h TYR 124 Cb 0.34 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 1rk8 h TYR 124 CO 0.03 0.16 -0.59 1.88 -1.64 0.00 0.00 178.16 178.00 1rk8 h TYR 125 N 0.40 0.84 -0.41 -3.82 -1.99 -1.00 -1.43 116.97 109.57 1rk8 h TYR 125 Ca 0.21 -0.31 -0.03 0.00 2.00 0.00 0.00 58.73 60.60 1rk8 h TYR 125 Cb 0.16 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 1rk8 h TYR 125 CO -0.13 1.09 0.16 1.25 -0.00 0.00 0.00 178.16 180.53 1rk8 h LEU 126 N 0.50 0.57 -0.86 3.88 5.85 -0.99 -0.22 115.31 124.04 1rk8 h LEU 126 Ca 0.00 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1rk8 h LEU 126 Cb 1.16 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1rk8 h LEU 126 CO 0.12 0.59 0.57 0.58 -0.34 0.00 0.00 178.44 179.95 1rk8 h VAL 127 N 0.51 1.21 -0.63 1.05 2.07 -1.08 0.47 116.25 119.85 1rk8 h VAL 127 Ca 0.14 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1rk8 h VAL 127 Cb 0.20 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.90 1rk8 h VAL 127 CO -0.01 0.21 0.34 -0.61 0.02 0.00 0.00 177.57 177.52 1rk8 h GLN 128 N 1.15 0.89 -0.49 1.57 4.15 -0.81 -0.22 115.11 121.35 1rk8 h GLN 128 Ca 0.32 -0.11 -0.05 0.00 0.77 0.00 0.00 58.65 59.58 1rk8 h GLN 128 Cb -0.12 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.38 1rk8 h GLN 128 CO -0.07 0.68 0.11 -0.44 -1.93 0.00 0.00 178.83 177.17 1rk8 h ASP 129 N 0.86 0.75 -0.43 -0.69 3.45 -0.36 -1.65 116.42 118.36 1rk8 h ASP 129 Ca 0.22 -0.24 -0.02 0.00 0.43 0.00 0.00 57.03 57.42 1rk8 h ASP 129 Cb 0.06 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.61 1rk8 h ASP 129 CO -0.03 0.80 0.18 -0.07 -1.57 0.00 0.00 179.24 178.55 1rk8 h LEU 130 N 0.67 0.58 -0.77 1.55 3.38 -0.61 -2.14 115.31 117.98 1rk8 h LEU 130 Ca 0.15 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1rk8 h LEU 130 Cb 0.35 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1rk8 h LEU 130 CO 0.00 0.58 0.35 0.11 0.09 0.00 0.00 178.44 179.57 1rk8 h LYS 131 N 0.55 1.13 -0.58 1.13 1.57 -0.93 -1.01 116.57 118.43 1rk8 h LYS 131 Ca 0.14 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1rk8 h LYS 131 Cb 0.17 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1rk8 h LYS 131 CO -0.01 0.89 0.38 0.00 -0.57 0.00 0.00 179.45 180.14 1rk8 h LEU 133 N 0.79 0.27 -0.45 0.00 5.85 -1.11 -2.24 115.31 118.41 1rk8 h LEU 133 Ca 0.21 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1rk8 h LEU 133 Cb -0.09 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1rk8 h LEU 133 CO -0.05 0.49 0.15 0.58 -0.34 0.00 0.00 178.44 179.27 1rk8 h VAL 134 N 0.04 1.22 -0.89 1.05 2.07 -0.96 -1.28 116.25 117.50 1rk8 h VAL 134 Ca 0.05 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.85 1rk8 h VAL 134 Cb 0.34 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1rk8 h VAL 134 CO 0.01 0.26 0.59 -0.26 0.02 0.00 0.00 177.57 178.19 1rk8 h PHE 135 N 0.59 1.12 -0.31 1.57 0.05 -0.65 0.59 116.94 119.90 1rk8 h PHE 135 Ca 0.15 0.03 -0.08 0.00 3.82 0.00 0.00 57.97 61.88 1rk8 h PHE 135 Cb 0.26 -0.38 -0.01 0.00 2.00 0.00 0.00 35.95 37.82 1rk8 h PHE 135 CO 0.01 0.70 -0.12 0.77 -0.18 0.00 0.00 178.31 179.49 1rk8 h SER 136 N 1.20 0.63 0.30 2.17 0.02 -1.13 0.11 113.55 116.86 1rk8 h SER 136 Ca 0.33 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1rk8 h SER 136 Cb -0.14 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.23 1rk8 h SER 136 CO -0.07 0.88 -0.15 -0.07 -1.14 0.00 0.00 176.83 176.29 1rk8 h LEU 137 N 0.38 -0.34 -0.23 5.07 3.38 -0.79 -2.00 115.31 120.77 1rk8 h LEU 137 Ca 0.07 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1rk8 h LEU 137 Cb 0.63 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1rk8 h LEU 137 CO 0.04 -0.09 -0.10 0.40 0.09 0.00 0.00 178.44 178.78 1rk8 h ILE 138 N -0.60 1.30 -0.26 1.22 1.08 -0.96 -1.72 117.51 117.57 1rk8 h ILE 138 Ca -0.04 -1.16 0.01 0.00 -0.39 0.00 0.00 64.86 63.28 1rk8 h ILE 138 Cb 0.43 1.57 -0.02 0.00 -3.07 0.00 0.00 36.82 35.73 1rk8 h ILE 138 CO 0.07 0.36 0.15 1.23 -0.69 0.00 0.00 178.15 179.27 1rk8 h GLY 139 N 0.20 0.35 1.46 5.37 0.00 -0.83 -0.82 103.07 108.80 1rk8 h GLY 139 Ca 0.05 -0.11 -0.23 0.00 0.00 0.00 0.00 47.33 47.04 1rk8 h GLY 139 CO 0.03 0.10 -0.95 1.41 0.00 0.00 0.00 176.54 177.14 1rk8 h LEU 140 N 0.31 0.63 -0.43 3.11 3.38 -1.43 0.13 115.31 121.02 1rk8 h LEU 140 Ca 0.10 -0.50 -0.10 0.00 0.09 0.00 0.00 57.88 57.47 1rk8 h LEU 140 Cb -0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1rk8 h LEU 140 CO -0.04 1.29 -0.13 -0.74 0.09 0.00 0.00 178.44 178.91 1rk8 h HIS 141 N 0.28 0.95 -0.41 1.13 2.76 -1.24 -3.21 115.15 115.42 1rk8 h HIS 141 Ca -0.09 -0.21 0.00 0.00 -2.20 0.00 0.00 60.37 57.87 1rk8 h HIS 141 Cb 1.58 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 30.32 1rk8 h HIS 141 CO 0.07 0.96 0.00 1.19 -1.30 0.00 0.00 177.93 178.85 1rk8 n PHE 142 N -4.27 0.53 -3.87 5.26 3.72 -0.32 -4.97 117.46 113.53 1rk8 n PHE 142 Ca -0.01 -0.33 -0.25 0.00 -0.05 0.00 0.00 57.45 56.82 1rk8 n PHE 142 Cb 0.39 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 1rk8 n PHE 142 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1rk8 n LYS 143 N 1.23 -4.14 0.00 -1.08 5.02 0.27 -5.02 118.16 114.44 1rk8 n LYS 143 Ca 0.17 0.50 0.14 0.00 -2.02 0.00 0.00 58.31 57.11 1rk8 n LYS 143 Cb 0.54 -4.92 0.55 0.00 -0.02 0.00 0.00 35.03 31.18 1rk8 n LYS 143 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99