#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rk0 s PRO 2 N 0.00 3.29 0.08 1.61 0.04 -1.26 -3.51 135.00 135.25 1rk0 s PRO 2 Ca 0.00 1.39 0.02 0.00 0.04 0.00 0.00 61.00 62.45 1rk0 s PRO 2 Cb 0.00 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1rk0 s PRO 2 CO 0.00 -0.86 -0.07 -1.01 0.04 0.00 0.00 177.00 175.10 1rk0 s HIS 3 N -2.16 0.84 0.05 0.56 3.76 0.70 -4.97 115.29 114.07 1rk0 s HIS 3 Ca 0.67 -0.79 -0.01 0.00 -0.15 0.00 0.00 55.06 54.78 1rk0 s HIS 3 Cb -0.19 -0.49 -0.04 0.00 1.11 0.00 0.00 32.58 32.97 1rk0 s HIS 3 CO 0.32 -0.12 -0.03 -1.54 -0.85 0.00 0.00 174.74 172.52 1rk0 s SER 4 N -2.63 0.48 -0.13 1.40 1.04 -1.26 -0.19 113.70 112.41 1rk0 s SER 4 Ca 0.06 -0.98 -0.00 0.00 0.48 0.00 0.00 55.95 55.50 1rk0 s SER 4 Cb 0.01 0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.35 1rk0 s SER 4 CO -0.03 -0.59 -0.11 -0.22 0.98 0.00 0.00 173.24 173.27 1rk0 s LEU 5 N -2.88 1.43 0.03 2.42 2.96 -0.63 -0.93 118.68 121.08 1rk0 s LEU 5 Ca 0.06 -0.40 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 1rk0 s LEU 5 Cb 0.08 -1.00 -0.02 0.00 0.50 0.00 0.00 46.19 45.74 1rk0 s LEU 5 CO -0.10 -0.09 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.57 1rk0 s ARG 6 N 1.60 1.00 -0.13 1.98 0.52 0.52 -2.25 118.95 122.20 1rk0 s ARG 6 Ca 0.05 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 54.56 1rk0 s ARG 6 Cb -0.13 -1.01 0.02 0.00 0.52 0.00 0.00 34.95 34.36 1rk0 s ARG 6 CO -0.09 0.26 -0.13 0.71 0.02 0.00 0.00 175.30 176.06 1rk0 s TYR 7 N -0.72 1.94 -0.27 -0.53 2.02 0.38 -0.10 117.35 120.08 1rk0 s TYR 7 Ca 0.03 -1.00 -0.10 0.00 -0.37 0.00 0.00 57.07 55.63 1rk0 s TYR 7 Cb -0.07 -1.45 -0.05 0.00 -0.40 0.00 0.00 41.96 40.00 1rk0 s TYR 7 CO 0.01 -0.56 0.16 -0.06 -1.57 0.00 0.00 175.55 173.53 1rk0 s PHE 8 N 1.34 3.21 -0.09 2.71 0.40 0.04 -1.31 117.98 124.28 1rk0 s PHE 8 Ca 0.00 0.03 0.04 0.00 -0.60 0.00 0.00 56.93 56.40 1rk0 s PHE 8 Cb -0.14 -2.33 -0.01 0.00 0.51 0.00 0.00 43.02 41.05 1rk0 s PHE 8 CO -0.07 -0.16 -0.21 0.08 0.70 0.00 0.00 175.22 175.57 1rk0 s VAL 9 N 1.61 2.41 -0.01 -0.44 1.01 0.16 -1.79 120.40 123.35 1rk0 s VAL 9 Ca 0.07 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1rk0 s VAL 9 Cb -0.15 -1.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.29 1rk0 s VAL 9 CO 0.09 0.56 -0.06 -0.89 0.00 0.00 0.00 175.10 174.79 1rk0 s THR 10 N 0.08 0.49 -0.07 3.92 2.01 -0.49 -0.22 115.64 121.36 1rk0 s THR 10 Ca -0.09 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 61.65 1rk0 s THR 10 Cb -0.15 -0.43 0.03 0.00 0.01 0.00 0.00 72.50 71.96 1rk0 s THR 10 CO 0.06 0.15 -0.00 0.00 -0.69 0.00 0.00 174.62 174.13 1rk0 s ALA 11 N -0.01 0.72 -0.15 7.40 0.00 -0.70 -0.42 121.76 128.60 1rk0 s ALA 11 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1rk0 s ALA 11 Cb -0.04 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.36 1rk0 s ALA 11 CO -0.00 -0.44 -0.13 0.08 0.00 0.00 0.00 175.76 175.27 1rk0 s VAL 12 N 1.92 1.51 0.59 0.00 1.01 -0.23 -1.44 120.40 123.77 1rk0 s VAL 12 Ca 0.04 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 1rk0 s VAL 12 Cb -0.12 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 1rk0 s VAL 12 CO -0.05 0.44 1.01 -0.94 0.00 0.00 0.00 175.10 175.55 1rk0 s SER 13 N 1.51 6.31 -0.48 3.32 1.04 -0.75 -0.97 113.70 123.68 1rk0 s SER 13 Ca 0.05 1.42 0.06 0.00 0.48 0.00 0.00 55.95 57.96 1rk0 s SER 13 Cb -0.13 -2.46 0.21 0.00 0.10 0.00 0.00 66.02 63.73 1rk0 s SER 13 CO -0.10 -0.80 0.70 -2.11 0.98 0.00 0.00 173.24 171.90 1rk0 n ARG 14 N -2.50 0.57 -1.63 4.02 1.85 -1.26 -4.10 116.66 113.60 1rk0 n ARG 14 Ca 0.06 -2.23 -0.47 0.00 -1.00 0.00 0.00 57.85 54.21 1rk0 n ARG 14 Cb 0.54 -1.48 -0.03 0.00 -1.05 0.00 0.00 32.46 30.44 1rk0 n ARG 14 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1rk0 n PRO 15 N 2.42 1.64 0.00 2.89 -0.04 -1.26 -1.59 135.00 139.06 1rk0 n PRO 15 Ca 0.18 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 1rk0 n PRO 15 Cb 0.56 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 1rk0 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rk0 n GLY 16 N 2.09 2.28 0.19 0.55 0.00 -1.26 -4.81 105.19 104.24 1rk0 n GLY 16 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.17 1rk0 n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rk0 n LEU 17 N 0.00 2.24 0.00 0.99 4.77 -0.62 -5.11 117.00 119.27 1rk0 n LEU 17 Ca 0.00 -1.96 0.00 0.00 -0.03 0.00 0.00 56.01 54.02 1rk0 n LEU 17 Cb 0.00 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1rk0 n LEU 17 CO 0.00 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1rk0 n GLY 18 N -0.18 -0.16 3.83 -0.72 0.00 -1.23 -5.04 105.19 101.70 1rk0 n GLY 18 Ca 0.03 -2.16 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 1rk0 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rk0 s GLU 19 N 0.00 3.84 0.43 1.61 2.02 -1.26 -4.57 118.70 120.76 1rk0 s GLU 19 Ca 0.00 1.03 -0.25 0.00 0.02 0.00 0.00 54.97 55.76 1rk0 s GLU 19 Cb 0.00 -2.12 -0.09 0.00 0.10 0.00 0.00 34.13 32.02 1rk0 s GLU 19 CO 0.00 -0.37 1.32 -2.30 0.02 0.00 0.00 175.26 173.94 1rk0 n PRO 20 N -1.59 2.04 -2.68 0.39 -0.02 -1.26 -4.75 135.00 127.14 1rk0 n PRO 20 Ca 0.07 0.73 -0.41 0.00 -2.02 0.00 0.00 63.50 61.87 1rk0 n PRO 20 Cb 0.54 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 1rk0 n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1rk0 s ARG 21 N -2.27 4.68 -0.06 -0.52 3.52 -0.14 -4.84 118.95 119.32 1rk0 s ARG 21 Ca 0.61 1.52 0.04 0.00 -0.13 0.00 0.00 55.73 57.77 1rk0 s ARG 21 Cb -0.49 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 29.56 1rk0 s ARG 21 CO 0.58 0.20 -0.16 -0.47 -0.81 0.00 0.00 175.30 174.64 1rk0 s TYR 22 N -0.14 1.74 0.00 5.12 5.04 -1.26 -1.07 117.35 126.78 1rk0 s TYR 22 Ca 0.47 -0.58 0.01 0.00 -2.44 0.00 0.00 57.07 54.53 1rk0 s TYR 22 Cb -0.25 -1.20 -0.01 0.00 0.35 0.00 0.00 41.96 40.85 1rk0 s TYR 22 CO 0.31 -0.24 -0.05 -1.64 -1.34 0.00 0.00 175.55 172.59 1rk0 s MET 23 N 0.29 0.39 -0.11 4.97 -1.94 0.43 -1.48 119.30 121.86 1rk0 s MET 23 Ca -0.10 -0.23 -0.01 0.00 -1.71 0.00 0.00 55.69 53.65 1rk0 s MET 23 Cb -0.14 -0.35 0.03 0.00 2.01 0.00 0.00 34.83 36.38 1rk0 s MET 23 CO 0.04 0.09 -0.05 -1.21 -0.01 0.00 0.00 175.02 173.88 1rk0 s GLU 24 N -0.27 1.27 -0.09 2.03 2.02 -0.21 -1.40 118.70 122.05 1rk0 s GLU 24 Ca 0.00 -0.18 0.03 0.00 0.02 0.00 0.00 54.97 54.84 1rk0 s GLU 24 Cb -0.03 -1.47 0.01 0.00 0.10 0.00 0.00 34.13 32.74 1rk0 s GLU 24 CO -0.00 -0.29 -0.17 0.08 0.02 0.00 0.00 175.26 174.90 1rk0 s VAL 25 N 1.77 1.54 0.00 2.63 1.01 -0.74 -0.53 120.40 126.08 1rk0 s VAL 25 Ca 0.05 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1rk0 s VAL 25 Cb -0.13 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1rk0 s VAL 25 CO -0.07 0.45 -0.09 -0.83 0.00 0.00 0.00 175.10 174.55 1rk0 s GLY 26 N 0.69 1.70 0.03 4.51 0.00 -0.44 -0.78 107.32 113.04 1rk0 s GLY 26 Ca -0.13 -1.03 0.03 0.00 0.00 0.00 0.00 44.72 43.59 1rk0 s GLY 26 CO 0.03 -0.89 -0.09 -0.19 0.00 0.00 0.00 173.10 171.96 1rk0 s TYR 27 N -0.95 0.81 -0.33 1.90 1.51 0.86 -1.02 117.35 120.12 1rk0 s TYR 27 Ca 0.16 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 1rk0 s TYR 27 Cb -0.11 -0.48 0.08 0.00 -0.11 0.00 0.00 41.96 41.34 1rk0 s TYR 27 CO 0.06 -0.02 0.04 0.08 -1.11 0.00 0.00 175.55 174.59 1rk0 s VAL 28 N -0.90 2.67 0.00 0.71 1.01 -0.61 -0.35 120.40 122.93 1rk0 s VAL 28 Ca -0.03 -1.87 0.00 0.00 0.00 0.00 0.00 61.98 60.07 1rk0 s VAL 28 Cb -0.07 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1rk0 s VAL 28 CO 0.01 -0.37 0.00 0.47 0.00 0.00 0.00 175.10 175.21 1rk0 n ASP 29 N 4.47 0.00 -1.06 3.32 8.00 -0.10 -2.12 116.55 129.05 1rk0 n ASP 29 Ca -0.06 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.52 1rk0 n ASP 29 Cb 0.42 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.80 1rk0 n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1rk0 n ASP 30 N 9.20 4.16 -4.19 -2.24 8.00 -1.26 -4.94 116.55 125.29 1rk0 n ASP 30 Ca 0.00 -3.02 -0.34 0.00 0.71 0.00 0.00 54.79 52.13 1rk0 n ASP 30 Cb 0.00 -0.57 -0.14 0.00 -0.02 0.00 0.00 41.12 40.39 1rk0 n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1rk0 s THR 31 N -2.84 2.82 0.15 -3.53 2.01 -0.90 -5.01 115.64 108.35 1rk0 s THR 31 Ca 0.44 -1.09 -0.31 0.00 0.31 0.00 0.00 61.69 61.04 1rk0 s THR 31 Cb 0.36 -2.46 -0.10 0.00 0.01 0.00 0.00 72.50 70.31 1rk0 s THR 31 CO 0.10 0.17 1.61 -0.70 -0.69 0.00 0.00 174.62 175.10 1rk0 s GLU 32 N 1.30 4.20 0.00 4.92 2.12 -1.26 -1.57 118.70 128.42 1rk0 s GLU 32 Ca -0.01 2.39 0.00 0.00 0.36 0.00 0.00 54.97 57.72 1rk0 s GLU 32 Cb -0.17 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 30.99 1rk0 s GLU 32 CO -0.04 -0.65 0.00 1.97 -0.54 0.00 0.00 175.26 176.00 1rk0 n PHE 33 N 4.28 0.00 -3.88 5.30 -1.74 -0.19 -4.11 117.46 117.12 1rk0 n PHE 33 Ca 0.15 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.94 1rk0 n PHE 33 Cb 0.38 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.30 1rk0 n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1rk0 s VAL 34 N -1.04 0.13 -0.06 1.97 -7.23 -1.21 -0.37 120.40 112.58 1rk0 s VAL 34 Ca 0.00 -1.04 -0.25 0.00 -1.81 0.00 0.00 61.98 58.87 1rk0 s VAL 34 Cb 0.00 -1.04 0.06 0.00 0.56 0.00 0.00 36.38 35.95 1rk0 s VAL 34 CO 0.00 -0.58 0.57 -0.60 -0.31 0.00 0.00 175.10 174.18 1rk0 s ARG 35 N -2.96 0.91 -0.06 4.82 3.52 -0.58 -1.33 118.95 123.27 1rk0 s ARG 35 Ca -0.02 0.21 -0.02 0.00 -0.13 0.00 0.00 55.73 55.76 1rk0 s ARG 35 Cb 0.01 0.42 0.04 0.00 -1.56 0.00 0.00 34.95 33.86 1rk0 s ARG 35 CO -0.06 -0.26 0.11 0.12 -0.81 0.00 0.00 175.30 174.40 1rk0 s PHE 36 N -1.04 -0.08 -0.19 5.12 5.36 0.31 -1.09 117.98 126.36 1rk0 s PHE 36 Ca -0.10 0.40 -0.02 0.00 -0.96 0.00 0.00 56.93 56.25 1rk0 s PHE 36 Cb -0.02 -0.25 0.05 0.00 -0.34 0.00 0.00 43.02 42.46 1rk0 s PHE 36 CO 0.07 -0.19 0.01 0.34 -1.46 0.00 0.00 175.22 173.99 1rk0 s ASP 37 N 1.70 2.95 0.03 6.13 2.15 -1.26 -1.05 116.67 127.33 1rk0 s ASP 37 Ca -0.02 -0.80 0.09 0.00 0.43 0.00 0.00 52.55 52.25 1rk0 s ASP 37 Cb -0.12 -0.72 0.41 0.00 -0.30 0.00 0.00 42.92 42.19 1rk0 s ASP 37 CO -0.05 -0.27 1.29 -1.54 -0.17 0.00 0.00 175.17 174.44 1rk0 n SER 38 N 4.97 0.07 -0.45 -0.34 3.41 -0.55 -1.89 113.62 118.85 1rk0 n SER 38 Ca -0.10 0.53 0.14 0.00 -0.26 0.00 0.00 58.87 59.17 1rk0 n SER 38 Cb 0.47 -0.54 0.46 0.00 -0.26 0.00 0.00 64.21 64.34 1rk0 n SER 38 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1rk0 n ASP 39 N -1.59 1.48 -4.80 4.04 9.92 -1.26 -4.83 116.55 119.51 1rk0 n ASP 39 Ca 0.02 -1.38 -0.34 0.00 -0.53 0.00 0.00 54.79 52.55 1rk0 n ASP 39 Cb 0.09 0.04 -0.04 0.00 -0.64 0.00 0.00 41.12 40.57 1rk0 n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rk0 s ALA 40 N -2.12 2.94 0.10 2.24 0.00 -0.79 -4.96 121.76 119.16 1rk0 s ALA 40 Ca 0.34 0.59 -0.23 0.00 0.00 0.00 0.00 51.96 52.66 1rk0 s ALA 40 Cb 0.20 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 20.02 1rk0 s ALA 40 CO 0.38 -0.22 1.38 0.93 0.00 0.00 0.00 175.76 178.23 1rk0 h GLU 41 N 1.79 -0.18 -3.61 0.00 3.07 -1.90 -3.22 114.58 110.54 1rk0 h GLU 41 Ca -0.49 0.01 -0.68 0.00 -0.50 0.00 0.00 59.36 57.70 1rk0 h GLU 41 Cb 1.21 0.04 -0.37 0.00 -0.84 0.00 0.00 28.75 28.79 1rk0 h GLU 41 CO 0.60 -0.12 -0.46 1.21 -1.40 0.00 0.00 179.01 178.84 1rk0 s ASN 42 N -4.48 4.96 -0.56 1.42 2.47 -1.26 -5.06 114.94 112.42 1rk0 s ASN 42 Ca -0.10 -2.85 -0.28 0.00 0.42 0.00 0.00 52.86 50.06 1rk0 s ASN 42 Cb 0.06 -1.78 -0.10 0.00 -1.45 0.00 0.00 41.25 37.98 1rk0 s ASN 42 CO 0.43 -0.34 2.45 -2.65 -3.72 0.00 0.00 177.10 173.27 1rk0 n PRO 43 N 3.45 0.89 -4.37 0.43 -0.02 -1.22 -4.95 135.00 129.21 1rk0 n PRO 43 Ca 0.06 0.05 -0.23 0.00 -2.02 0.00 0.00 63.50 61.36 1rk0 n PRO 43 Cb 0.36 -2.98 -0.11 0.00 -0.02 0.00 0.00 33.50 30.76 1rk0 n PRO 43 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1rk0 s ARG 44 N 8.16 1.37 -0.33 -0.52 1.81 -1.26 -5.03 118.95 123.15 1rk0 s ARG 44 Ca 1.07 -1.47 -0.25 0.00 -1.72 0.00 0.00 55.73 53.36 1rk0 s ARG 44 Cb -0.45 -1.49 0.01 0.00 -0.45 0.00 0.00 34.95 32.57 1rk0 s ARG 44 CO 0.33 0.31 0.89 -0.47 -0.68 0.00 0.00 175.30 175.68 1rk0 s TYR 45 N -2.00 3.15 0.06 -0.53 6.14 -1.26 -4.52 117.35 118.39 1rk0 s TYR 45 Ca 0.18 0.86 0.08 0.00 0.64 0.00 0.00 57.07 58.84 1rk0 s TYR 45 Cb -0.06 -3.46 -0.03 0.00 0.42 0.00 0.00 41.96 38.83 1rk0 s TYR 45 CO 0.08 -0.70 -0.23 -1.83 0.64 0.00 0.00 175.55 173.51 1rk0 s GLU 46 N 3.27 1.47 0.39 4.97 -1.05 -0.25 -4.85 118.70 122.65 1rk0 s GLU 46 Ca 0.37 -1.05 -0.27 0.00 -0.15 0.00 0.00 54.97 53.87 1rk0 s GLU 46 Cb -0.13 -1.65 -0.09 0.00 -0.44 0.00 0.00 34.13 31.81 1rk0 s GLU 46 CO 0.15 0.42 1.35 -1.25 0.95 0.00 0.00 175.26 176.88 1rk0 s PRO 47 N -1.36 4.02 0.00 -4.83 0.04 -1.26 -1.53 135.00 130.07 1rk0 s PRO 47 Ca 0.09 2.27 0.02 0.00 0.04 0.00 0.00 61.00 63.41 1rk0 s PRO 47 Cb -0.09 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1rk0 s PRO 47 CO 0.03 -0.49 0.35 0.54 0.04 0.00 0.00 177.00 177.46 1rk0 n ARG 48 N 0.25 2.18 -4.72 4.56 5.12 0.50 -4.87 116.66 119.67 1rk0 n ARG 48 Ca 0.03 -0.35 -0.24 0.00 -1.93 0.00 0.00 57.85 55.36 1rk0 n ARG 48 Cb 0.42 -0.84 -0.15 0.00 -1.16 0.00 0.00 32.46 30.73 1rk0 n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1rk0 s ALA 49 N -0.54 1.30 0.46 7.54 0.00 -1.21 -4.72 121.76 124.59 1rk0 s ALA 49 Ca 0.01 -0.65 0.12 0.00 0.00 0.00 0.00 51.96 51.44 1rk0 s ALA 49 Cb 0.01 -0.35 1.05 0.00 0.00 0.00 0.00 23.12 23.84 1rk0 s ALA 49 CO 0.04 0.30 2.09 0.00 0.00 0.00 0.00 175.76 178.19 1rk0 h ARG 50 N 5.84 0.30 0.00 0.00 3.08 -1.94 -1.66 114.38 120.00 1rk0 h ARG 50 Ca -0.35 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.68 1rk0 h ARG 50 Cb 1.16 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1rk0 h ARG 50 CO 0.49 0.20 0.00 -2.67 -1.07 0.00 0.00 179.97 176.91 1rk0 n TRP 51 N -4.50 0.29 1.71 3.04 4.27 -1.26 -2.29 117.44 118.71 1rk0 n TRP 51 Ca 0.01 0.11 0.08 0.00 -3.89 0.00 0.00 57.50 53.81 1rk0 n TRP 51 Cb 0.11 -0.68 0.46 0.00 -1.36 0.00 0.00 31.31 29.83 1rk0 n TRP 51 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 1rk0 n MET 52 N -1.76 0.86 0.00 -2.67 2.81 -0.62 -2.76 117.12 112.97 1rk0 n MET 52 Ca 0.03 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.03 1rk0 n MET 52 Cb 0.20 -1.28 0.48 0.00 -0.71 0.00 0.00 33.22 31.92 1rk0 n MET 52 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1rk0 n GLU 53 N -0.78 0.07 0.00 0.03 0.28 -0.97 -2.82 120.64 116.44 1rk0 n GLU 53 Ca 0.12 0.12 0.15 0.00 -0.16 0.00 0.00 57.16 57.38 1rk0 n GLU 53 Cb 0.05 -1.50 0.75 0.00 1.43 0.00 0.00 31.44 32.18 1rk0 n GLU 53 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1rk0 n GLN 54 N -1.46 0.41 -3.31 3.44 6.02 -1.11 -4.79 117.38 116.58 1rk0 n GLN 54 Ca 0.06 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.67 1rk0 n GLN 54 Cb 0.24 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.94 1rk0 n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1rk0 s GLU 55 N -2.59 4.28 1.21 -1.09 0.41 -1.13 -5.07 118.70 114.71 1rk0 s GLU 55 Ca 0.28 0.52 -0.17 0.00 -0.41 0.00 0.00 54.97 55.18 1rk0 s GLU 55 Cb 0.20 -3.38 0.29 0.00 -1.78 0.00 0.00 34.13 29.46 1rk0 s GLU 55 CO 0.46 0.28 1.04 0.20 -0.49 0.00 0.00 175.26 176.76 1rk0 s GLY 56 N 0.20 1.52 0.46 -1.39 0.00 -1.26 -4.90 107.32 101.95 1rk0 s GLY 56 Ca 0.27 -0.62 0.21 0.00 0.00 0.00 0.00 44.72 44.58 1rk0 s GLY 56 CO 0.12 0.21 1.97 -0.56 0.00 0.00 0.00 173.10 174.84 1rk0 h PRO 57 N -2.67 0.00 -0.72 2.90 0.13 -1.98 -2.84 132.00 126.81 1rk0 h PRO 57 Ca -0.51 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 1rk0 h PRO 57 Cb 1.32 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 1rk0 h PRO 57 CO 0.42 0.21 0.37 0.93 -0.23 0.00 0.00 178.00 179.70 1rk0 h GLU 58 N 0.00 1.02 -0.35 0.86 3.07 -1.99 -1.39 114.58 115.80 1rk0 h GLU 58 Ca -0.00 -0.14 0.03 0.00 -0.50 0.00 0.00 59.36 58.75 1rk0 h GLU 58 Cb 0.46 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 1rk0 h GLU 58 CO 0.03 0.79 0.17 -0.92 -1.40 0.00 0.00 179.01 177.67 1rk0 h TYR 59 N 1.00 0.30 -0.21 4.33 5.03 -1.85 0.24 116.97 125.82 1rk0 h TYR 59 Ca 0.25 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.49 1rk0 h TYR 59 Cb 0.08 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.26 1rk0 h TYR 59 CO 0.00 0.16 -0.24 -1.49 -1.32 0.00 0.00 178.16 175.27 1rk0 h TRP 60 N 0.34 0.42 -0.15 -3.82 4.06 -1.51 -0.96 115.95 114.33 1rk0 h TRP 60 Ca 0.15 -0.08 -0.08 0.00 2.06 0.00 0.00 58.89 60.94 1rk0 h TRP 60 Cb 0.07 -0.11 -0.00 0.00 -1.00 0.00 0.00 29.16 28.12 1rk0 h TRP 60 CO -0.10 0.60 -0.20 1.49 -3.56 0.00 0.00 178.44 176.66 1rk0 h GLU 61 N 0.34 0.40 -0.29 0.49 4.57 -0.74 -0.83 114.58 118.53 1rk0 h GLU 61 Ca 0.05 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 57.99 1rk0 h GLU 61 Cb 0.61 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 1rk0 h GLU 61 CO 0.04 0.81 0.16 -0.09 -1.18 0.00 0.00 179.01 178.75 1rk0 h ARG 62 N 0.02 0.41 -0.58 1.92 2.43 -0.82 -0.82 114.38 116.93 1rk0 h ARG 62 Ca 0.02 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 1rk0 h ARG 62 Cb 0.77 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 1rk0 h ARG 62 CO 0.05 0.36 0.02 0.93 -1.51 0.00 0.00 179.97 179.82 1rk0 h GLU 63 N 0.35 1.02 -0.51 0.20 4.39 -1.19 -0.58 114.58 118.25 1rk0 h GLU 63 Ca 0.10 -0.31 -0.00 0.00 0.34 0.00 0.00 59.36 59.49 1rk0 h GLU 63 Cb 0.07 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 1rk0 h GLU 63 CO -0.02 1.00 0.31 1.15 -1.16 0.00 0.00 179.01 180.29 1rk0 h THR 64 N 0.91 1.14 0.11 1.13 2.02 -0.83 0.20 112.91 117.60 1rk0 h THR 64 Ca 0.17 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1rk0 h THR 64 Cb 0.52 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1rk0 h THR 64 CO 0.03 0.15 -0.05 1.56 0.37 0.00 0.00 175.52 177.57 1rk0 h GLN 65 N 0.70 -0.14 -0.78 6.66 1.08 -0.78 -2.01 115.11 119.84 1rk0 h GLN 65 Ca 0.19 0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.51 1rk0 h GLN 65 Cb -0.03 0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 27.35 1rk0 h GLN 65 CO -0.04 0.29 0.40 -0.22 -0.95 0.00 0.00 178.83 178.31 1rk0 h LYS 66 N -0.64 0.61 -0.09 1.46 3.64 -0.81 0.57 116.57 121.31 1rk0 h LYS 66 Ca -0.01 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1rk0 h LYS 66 Cb 0.50 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1rk0 h LYS 66 CO 0.02 0.40 0.05 0.00 -2.27 0.00 0.00 179.45 177.65 1rk0 h ALA 67 N 1.49 0.11 -0.20 5.00 0.00 -0.93 -0.45 119.26 124.28 1rk0 h ALA 67 Ca 0.40 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1rk0 h ALA 67 Cb 0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1rk0 h ALA 67 CO -0.31 -0.35 0.01 0.87 0.00 0.00 0.00 179.25 179.47 1rk0 h LYS 68 N 0.05 0.28 -0.53 0.00 1.57 -0.69 0.66 116.57 117.92 1rk0 h LYS 68 Ca 0.03 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1rk0 h LYS 68 Cb 0.07 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1rk0 h LYS 68 CO -0.01 0.30 0.20 0.78 -0.57 0.00 0.00 179.45 180.15 1rk0 h GLY 69 N 0.54 0.86 1.36 3.86 0.00 -0.26 -2.35 103.07 107.09 1rk0 h GLY 69 Ca 0.07 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 1rk0 h GLY 69 CO 0.00 0.46 -0.12 3.43 0.00 0.00 0.00 176.54 180.31 1rk0 h ASN 70 N 0.72 0.75 -0.59 0.19 2.35 0.20 -0.93 115.58 118.27 1rk0 h ASN 70 Ca 0.17 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1rk0 h ASN 70 Cb 0.23 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 1rk0 h ASN 70 CO -0.01 0.89 0.31 -0.08 -1.65 0.00 0.00 177.43 176.89 1rk0 h GLU 71 N 0.69 0.85 -0.00 0.81 4.81 -0.66 0.11 114.58 121.19 1rk0 h GLU 71 Ca 0.11 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1rk0 h GLU 71 Cb 0.60 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1rk0 h GLU 71 CO 0.04 0.65 -0.00 1.96 -0.73 0.00 0.00 179.01 180.92 1rk0 h GLN 72 N 0.86 0.00 0.00 1.92 1.08 -1.20 -3.06 115.11 114.71 1rk0 h GLN 72 Ca 0.22 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.39 1rk0 h GLN 72 Cb 0.06 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1rk0 h GLN 72 CO -0.03 0.77 -0.10 0.66 -0.95 0.00 0.00 178.83 179.17 1rk0 h SER 73 N -0.76 0.00 1.41 1.46 4.64 -1.00 -1.31 113.55 118.00 1rk0 h SER 73 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1rk0 h SER 73 Cb 0.77 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 1rk0 h SER 73 CO 0.00 0.10 -0.46 -0.26 -0.87 0.00 0.00 176.83 175.34 1rk0 h PHE 74 N 0.00 0.00 -0.36 4.77 -1.00 -0.84 -2.37 116.94 117.13 1rk0 h PHE 74 Ca -0.00 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.73 1rk0 h PHE 74 Cb 0.24 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.78 1rk0 h PHE 74 CO 0.00 0.46 0.03 -0.09 -1.61 0.00 0.00 178.31 177.10 1rk0 h ARG 75 N 0.00 0.56 -0.17 1.51 2.43 -1.13 -0.82 114.38 116.76 1rk0 h ARG 75 Ca -0.00 -0.11 -0.19 0.00 -0.81 0.00 0.00 59.98 58.87 1rk0 h ARG 75 Cb 1.30 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1rk0 h ARG 75 CO 0.06 0.57 -0.64 0.28 -1.51 0.00 0.00 179.97 178.72 1rk0 h VAL 76 N 0.54 1.32 -0.49 0.20 2.07 -1.27 -3.12 116.25 115.50 1rk0 h VAL 76 Ca 0.12 -1.91 -0.10 0.00 0.82 0.00 0.00 66.70 65.64 1rk0 h VAL 76 Cb 0.31 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1rk0 h VAL 76 CO 0.01 0.60 -0.08 0.44 0.02 0.00 0.00 177.57 178.55 1rk0 h ASP 77 N 0.46 0.86 -0.82 0.57 3.32 -0.78 -2.09 116.42 117.94 1rk0 h ASP 77 Ca -0.01 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 1rk0 h ASP 77 Cb 1.23 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.51 1rk0 h ASP 77 CO 0.13 0.97 0.44 -0.07 -1.72 0.00 0.00 179.24 178.99 1rk0 h LEU 78 N 0.79 1.03 -0.42 1.55 3.38 -1.19 -1.22 115.31 119.23 1rk0 h LEU 78 Ca 0.14 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1rk0 h LEU 78 Cb 0.58 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1rk0 h LEU 78 CO 0.04 0.84 -0.20 0.03 0.09 0.00 0.00 178.44 179.24 1rk0 h ARG 79 N 1.14 0.88 -0.05 1.13 3.08 -1.46 -2.78 114.38 116.31 1rk0 h ARG 79 Ca 0.29 -0.38 0.02 0.00 0.07 0.00 0.00 59.98 59.98 1rk0 h ARG 79 Cb 0.04 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1rk0 h ARG 79 CO -0.04 1.03 -0.10 1.15 -1.07 0.00 0.00 179.97 180.93 1rk0 h THR 80 N 0.70 0.74 -0.76 2.04 2.02 -0.99 -2.41 112.91 114.25 1rk0 h THR 80 Ca 0.10 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.30 1rk0 h THR 80 Cb 0.76 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 1rk0 h THR 80 CO 0.06 0.00 0.50 -0.07 0.37 0.00 0.00 175.52 176.38 1rk0 h LEU 81 N -0.14 0.82 -1.32 2.58 3.38 -1.21 -0.26 115.31 119.16 1rk0 h LEU 81 Ca 0.06 -0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.16 1rk0 h LEU 81 Cb 0.22 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 1rk0 h LEU 81 CO -0.14 0.58 0.57 -0.07 0.09 0.00 0.00 178.44 179.47 1rk0 h LEU 82 N 0.96 0.62 -0.09 1.67 3.38 -1.14 0.72 115.31 121.42 1rk0 h LEU 82 Ca 0.30 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.17 1rk0 h LEU 82 Cb -0.00 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.68 1rk0 h LEU 82 CO -0.08 0.30 -0.49 1.23 0.09 0.00 0.00 178.44 179.49 1rk0 h GLY 83 N 0.65 0.55 0.83 0.83 0.00 -0.89 0.14 103.07 105.17 1rk0 h GLY 83 Ca 0.45 -0.78 0.04 0.00 0.00 0.00 0.00 47.33 47.04 1rk0 h GLY 83 CO -0.20 0.69 0.50 -0.97 0.00 0.00 0.00 176.54 176.56 1rk0 h TYR 84 N 0.08 0.93 -0.02 5.60 0.05 -0.30 -2.53 116.97 120.77 1rk0 h TYR 84 Ca -0.04 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1rk0 h TYR 84 Cb 1.14 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 38.58 1rk0 h TYR 84 CO 0.12 0.51 0.00 0.66 -1.05 0.00 0.00 178.16 178.40 1rk0 n TYR 85 N -4.62 0.00 -3.60 4.88 4.01 0.12 -4.90 117.16 113.05 1rk0 n TYR 85 Ca 0.10 -0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.58 1rk0 n TYR 85 Cb 0.11 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.19 1rk0 n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1rk0 n ASN 86 N 0.60 -4.73 -4.73 7.72 5.15 0.02 -4.98 115.26 114.31 1rk0 n ASN 86 Ca 0.17 -0.91 -0.24 0.00 -0.60 0.00 0.00 54.58 53.00 1rk0 n ASN 86 Cb 0.44 -3.90 -0.06 0.00 -0.53 0.00 0.00 39.78 35.74 1rk0 n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1rk0 s GLN 87 N -5.64 2.62 0.54 1.20 -0.21 0.26 -5.03 119.66 113.39 1rk0 s GLN 87 Ca 0.37 -1.15 -0.22 0.00 0.02 0.00 0.00 55.36 54.38 1rk0 s GLN 87 Cb -0.11 -2.41 -0.05 0.00 1.00 0.00 0.00 33.01 31.44 1rk0 s GLN 87 CO 0.83 0.41 1.33 0.45 -2.12 0.00 0.00 175.29 176.19 1rk0 n SER 88 N -0.76 2.60 -0.10 5.90 2.88 -1.26 -4.84 113.62 118.03 1rk0 n SER 88 Ca -0.08 0.98 0.14 0.00 -1.33 0.00 0.00 58.87 58.59 1rk0 n SER 88 Cb 0.57 -1.56 0.80 0.00 -0.75 0.00 0.00 64.21 63.27 1rk0 n SER 88 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1rk0 n LYS 89 N -0.90 1.13 -0.22 -1.46 4.81 -1.26 -3.83 118.16 116.43 1rk0 n LYS 89 Ca 0.10 -0.19 0.08 0.00 -0.87 0.00 0.00 58.31 57.43 1rk0 n LYS 89 Cb 0.44 -1.46 0.18 0.00 0.02 0.00 0.00 35.03 34.21 1rk0 n LYS 89 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rk0 n GLY 90 N 1.00 4.22 3.77 3.14 0.00 -1.26 -4.87 105.19 111.19 1rk0 n GLY 90 Ca 0.21 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 1rk0 n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rk0 s GLY 91 N -2.20 1.57 0.03 -0.02 0.00 -1.25 -4.79 107.32 100.67 1rk0 s GLY 91 Ca 0.32 -1.39 -0.22 0.00 0.00 0.00 0.00 44.72 43.43 1rk0 s GLY 91 CO 0.06 -1.42 0.65 -0.45 0.00 0.00 0.00 173.10 171.94 1rk0 s SER 92 N -3.49 7.08 0.09 1.64 0.15 -1.26 -4.67 113.70 113.24 1rk0 s SER 92 Ca 0.31 1.28 0.03 0.00 0.70 0.00 0.00 55.95 58.27 1rk0 s SER 92 Cb -0.08 -2.40 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 1rk0 s SER 92 CO 0.23 0.10 -0.08 -1.00 1.20 0.00 0.00 173.24 173.69 1rk0 s HIS 93 N -0.31 0.94 -0.04 3.44 3.76 -1.26 -4.96 115.29 116.85 1rk0 s HIS 93 Ca 0.33 -0.77 0.03 0.00 -0.15 0.00 0.00 55.06 54.51 1rk0 s HIS 93 Cb -0.19 -0.53 0.00 0.00 1.11 0.00 0.00 32.58 32.97 1rk0 s HIS 93 CO 0.20 -0.08 -0.14 0.99 -0.85 0.00 0.00 174.74 174.85 1rk0 s THR 94 N -2.94 1.24 -0.12 1.30 2.01 -1.26 -1.81 115.64 114.06 1rk0 s THR 94 Ca 0.07 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.48 1rk0 s THR 94 Cb 0.01 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.42 1rk0 s THR 94 CO -0.02 0.37 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.49 1rk0 s ILE 95 N 0.20 2.85 0.05 1.82 1.01 -0.52 0.40 121.20 127.01 1rk0 s ILE 95 Ca -0.06 -0.73 0.08 0.00 0.00 0.00 0.00 60.65 59.93 1rk0 s ILE 95 Cb -0.12 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 1rk0 s ILE 95 CO 0.02 0.53 -0.21 -1.10 0.00 0.00 0.00 174.94 174.18 1rk0 s GLN 96 N 0.33 1.44 -0.04 2.79 -0.21 -0.38 -1.73 119.66 121.86 1rk0 s GLN 96 Ca -0.12 -0.97 -0.03 0.00 0.02 0.00 0.00 55.36 54.26 1rk0 s GLN 96 Cb -0.16 -1.56 0.01 0.00 1.00 0.00 0.00 33.01 32.30 1rk0 s GLN 96 CO 0.06 0.40 0.10 0.08 -2.12 0.00 0.00 175.29 173.81 1rk0 s VAL 97 N -0.81 -0.01 -0.15 1.09 1.01 0.69 -1.27 120.40 120.94 1rk0 s VAL 97 Ca 0.08 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.12 1rk0 s VAL 97 Cb -0.09 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.15 1rk0 s VAL 97 CO 0.02 0.02 -0.21 -0.63 0.00 0.00 0.00 175.10 174.29 1rk0 s ILE 98 N 0.28 2.06 -0.01 2.22 1.01 -0.17 0.39 121.20 126.99 1rk0 s ILE 98 Ca -0.02 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1rk0 s ILE 98 Cb -0.03 -1.83 -0.00 0.00 0.01 0.00 0.00 42.46 40.60 1rk0 s ILE 98 CO -0.01 0.55 -0.06 -0.55 0.00 0.00 0.00 174.94 174.87 1rk0 s SER 99 N 0.99 0.68 0.00 3.58 0.15 -0.42 -0.97 113.70 117.70 1rk0 s SER 99 Ca -0.03 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1rk0 s SER 99 Cb -0.15 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 1rk0 s SER 99 CO -0.06 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1rk0 n GLY 100 N 2.96 -1.79 3.24 9.45 0.00 -0.56 -0.47 105.19 118.02 1rk0 n GLY 100 Ca -0.13 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 1rk0 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rk0 s GLU 102 N -4.09 0.55 0.12 0.00 2.12 0.45 -1.60 118.70 116.25 1rk0 s GLU 102 Ca 0.36 -0.19 0.06 0.00 0.36 0.00 0.00 54.97 55.56 1rk0 s GLU 102 Cb 0.07 -0.54 -0.04 0.00 0.26 0.00 0.00 34.13 33.88 1rk0 s GLU 102 CO 0.11 0.09 -0.14 0.14 -0.54 0.00 0.00 175.26 174.92 1rk0 s VAL 103 N 0.06 1.37 0.00 3.70 -7.23 0.74 0.29 120.40 119.33 1rk0 s VAL 103 Ca -0.00 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1rk0 s VAL 103 Cb -0.05 -1.55 0.00 0.00 0.56 0.00 0.00 36.38 35.34 1rk0 s VAL 103 CO -0.00 -0.40 0.00 0.61 -0.31 0.00 0.00 175.10 175.00 1rk0 n GLY 104 N 0.54 -0.71 0.24 2.32 0.00 -0.76 -0.22 105.19 106.59 1rk0 n GLY 104 Ca -0.15 -1.69 -0.03 0.00 0.00 0.00 0.00 46.02 44.15 1rk0 n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rk0 h SER 105 N 0.00 0.45 0.56 1.61 0.02 -1.91 -2.65 113.55 111.62 1rk0 h SER 105 Ca 0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1rk0 h SER 105 Cb 0.00 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1rk0 h SER 105 CO 0.00 0.68 0.00 -0.90 -1.14 0.00 0.00 176.83 175.47 1rk0 n ASP 106 N -4.14 0.00 0.00 3.07 5.75 -1.26 -4.92 116.55 115.04 1rk0 n ASP 106 Ca -0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 54.79 54.64 1rk0 n ASP 106 Cb 0.38 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 1rk0 n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rk0 n GLY 107 N 1.24 0.75 3.92 6.12 0.00 -1.00 -5.07 105.19 111.15 1rk0 n GLY 107 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1rk0 n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rk0 s ARG 108 N -0.50 3.53 0.11 1.61 0.52 -1.26 -4.79 118.95 118.16 1rk0 s ARG 108 Ca 0.00 -0.02 -0.31 0.00 -0.52 0.00 0.00 55.73 54.88 1rk0 s ARG 108 Cb 0.00 -2.50 -0.08 0.00 0.52 0.00 0.00 34.95 32.89 1rk0 s ARG 108 CO 0.00 -0.05 1.44 -1.17 0.02 0.00 0.00 175.30 175.54 1rk0 s LEU 109 N -4.52 4.37 -0.15 2.53 2.96 -1.26 -1.83 118.68 120.77 1rk0 s LEU 109 Ca 0.44 2.37 0.01 0.00 -0.22 0.00 0.00 54.13 56.73 1rk0 s LEU 109 Cb -0.10 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.91 1rk0 s LEU 109 CO 0.41 -0.70 -0.13 0.18 -1.32 0.00 0.00 176.35 174.78 1rk0 n LEU 110 N 4.16 2.94 -3.77 -0.68 4.77 0.14 -4.88 117.00 119.69 1rk0 n LEU 110 Ca 0.12 -0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 1rk0 n LEU 110 Cb 0.42 -0.52 -0.09 0.00 -2.33 0.00 0.00 43.42 40.90 1rk0 n LEU 110 CO 0.59 0.74 0.00 -0.60 -1.33 0.00 0.00 177.39 176.79 1rk0 s ARG 111 N -2.30 0.67 0.01 3.23 3.52 -1.04 -4.98 118.95 118.06 1rk0 s ARG 111 Ca -0.20 -0.26 0.03 0.00 -0.13 0.00 0.00 55.73 55.17 1rk0 s ARG 111 Cb 0.05 0.29 -0.01 0.00 -1.56 0.00 0.00 34.95 33.72 1rk0 s ARG 111 CO 0.34 -0.19 -0.09 0.20 -0.81 0.00 0.00 175.30 174.75 1rk0 s GLY 112 N -1.43 0.48 -0.04 8.12 0.00 -1.26 -0.41 107.32 112.77 1rk0 s GLY 112 Ca -0.13 -0.51 -0.14 0.00 0.00 0.00 0.00 44.72 43.94 1rk0 s GLY 112 CO 0.03 -0.48 0.32 -2.52 0.00 0.00 0.00 173.10 170.45 1rk0 s TYR 113 N -0.54 -0.22 -0.27 1.90 -0.85 0.01 -4.86 117.35 112.52 1rk0 s TYR 113 Ca 0.00 0.41 -0.01 0.00 -0.52 0.00 0.00 57.07 56.95 1rk0 s TYR 113 Cb -0.05 0.10 0.13 0.00 0.38 0.00 0.00 41.96 42.52 1rk0 s TYR 113 CO 0.00 -0.34 0.32 -1.14 -1.52 0.00 0.00 175.55 172.87 1rk0 s GLN 114 N -0.99 0.32 -0.09 -3.49 2.00 -1.25 -1.49 119.66 114.67 1rk0 s GLN 114 Ca -0.11 0.07 0.02 0.00 -2.00 0.00 0.00 55.36 53.34 1rk0 s GLN 114 Cb -0.05 -0.65 0.01 0.00 0.80 0.00 0.00 33.01 33.13 1rk0 s GLN 114 CO 0.03 -0.91 -0.14 -0.65 -0.50 0.00 0.00 175.29 173.12 1rk0 s GLN 115 N 2.42 2.03 0.14 1.67 -0.21 -0.15 -1.65 119.66 123.91 1rk0 s GLN 115 Ca 0.10 -0.50 0.07 0.00 0.02 0.00 0.00 55.36 55.04 1rk0 s GLN 115 Cb -0.14 -1.71 -0.04 0.00 1.00 0.00 0.00 33.01 32.12 1rk0 s GLN 115 CO -0.27 -0.03 -0.02 0.71 -2.12 0.00 0.00 175.29 173.56 1rk0 s TYR 116 N 0.88 2.84 -0.02 0.91 1.51 -0.27 -1.00 117.35 122.21 1rk0 s TYR 116 Ca -0.10 -0.12 -0.07 0.00 -1.01 0.00 0.00 57.07 55.77 1rk0 s TYR 116 Cb -0.15 -1.42 0.01 0.00 -0.11 0.00 0.00 41.96 40.28 1rk0 s TYR 116 CO 0.01 0.49 0.15 0.00 -1.11 0.00 0.00 175.55 175.09 1rk0 s ALA 117 N -1.53 -0.36 -0.11 3.71 0.00 -0.40 -2.00 121.76 121.08 1rk0 s ALA 117 Ca 0.26 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.31 1rk0 s ALA 117 Cb -0.10 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.01 1rk0 s ALA 117 CO 0.17 -0.17 -0.21 -0.47 0.00 0.00 0.00 175.76 175.09 1rk0 s TYR 118 N -0.93 2.38 -1.54 0.00 5.04 0.10 -1.25 117.35 121.16 1rk0 s TYR 118 Ca -0.10 -1.05 -0.10 0.00 -2.44 0.00 0.00 57.07 53.38 1rk0 s TYR 118 Cb -0.06 -1.63 0.08 0.00 0.35 0.00 0.00 41.96 40.71 1rk0 s TYR 118 CO 0.01 -0.46 0.68 -0.25 -1.34 0.00 0.00 175.55 174.19 1rk0 n ASP 119 N 3.79 -2.35 -0.01 4.32 8.00 0.16 -1.44 116.55 129.02 1rk0 n ASP 119 Ca -0.20 -0.96 -0.00 0.00 0.71 0.00 0.00 54.79 54.34 1rk0 n ASP 119 Cb 0.52 -3.14 -0.00 0.00 -0.02 0.00 0.00 41.12 38.48 1rk0 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rk0 n GLY 120 N -1.68 0.45 3.19 0.44 0.00 -1.26 -4.99 105.19 101.33 1rk0 n GLY 120 Ca -0.09 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 1rk0 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rk0 n ASP 122 N 1.46 1.29 0.00 0.00 9.92 -1.26 0.02 116.55 127.98 1rk0 n ASP 122 Ca -0.20 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.20 1rk0 n ASP 122 Cb 0.54 -1.19 0.00 0.00 -0.64 0.00 0.00 41.12 39.83 1rk0 n ASP 122 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rk0 n TYR 123 N 1.70 0.00 -3.97 1.24 9.36 -0.84 -4.63 117.16 120.01 1rk0 n TYR 123 Ca 0.16 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.30 1rk0 n TYR 123 Cb 0.23 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 38.85 1rk0 n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1rk0 s ILE 124 N -0.66 0.18 -0.13 2.97 2.07 -1.18 0.21 121.20 124.66 1rk0 s ILE 124 Ca 0.00 -1.46 -0.24 0.00 -1.41 0.00 0.00 60.65 57.53 1rk0 s ILE 124 Cb 0.00 -1.37 0.06 0.00 0.13 0.00 0.00 42.46 41.28 1rk0 s ILE 124 CO 0.00 -0.81 0.60 0.00 -1.91 0.00 0.00 174.94 172.82 1rk0 s ALA 125 N -3.74 -1.52 -0.05 1.50 0.00 -0.88 -1.11 121.76 115.96 1rk0 s ALA 125 Ca 0.05 1.37 -0.29 0.00 0.00 0.00 0.00 51.96 53.09 1rk0 s ALA 125 Cb 0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 1rk0 s ALA 125 CO -0.10 -0.32 0.95 -1.17 0.00 0.00 0.00 175.76 175.12 1rk0 s LEU 126 N -0.52 4.32 0.81 0.00 2.96 -0.66 -0.93 118.68 124.65 1rk0 s LEU 126 Ca -0.06 1.54 -0.11 0.00 -0.22 0.00 0.00 54.13 55.28 1rk0 s LEU 126 Cb -0.03 -3.49 0.08 0.00 0.50 0.00 0.00 46.19 43.25 1rk0 s LEU 126 CO 0.05 -0.31 1.09 0.20 -1.32 0.00 0.00 176.35 176.06 1rk0 s ASN 127 N 1.02 4.21 0.63 3.68 0.01 -0.04 -4.65 114.94 119.80 1rk0 s ASN 127 Ca 0.48 1.64 0.31 0.00 -0.71 0.00 0.00 52.86 54.58 1rk0 s ASN 127 Cb -0.20 -2.35 1.68 0.00 0.41 0.00 0.00 41.25 40.80 1rk0 s ASN 127 CO 0.23 -2.20 2.00 -0.33 -1.51 0.00 0.00 177.10 175.30 1rk0 h GLU 128 N -1.24 0.00 0.00 -0.60 5.08 -1.89 0.11 114.58 116.04 1rk0 h GLU 128 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1rk0 h GLU 128 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1rk0 h GLU 128 CO 0.54 0.00 0.00 0.38 -1.00 0.00 0.00 179.01 178.93 1rk0 h ASP 129 N 0.00 0.00 -1.44 1.42 3.04 -1.90 -3.47 116.42 114.07 1rk0 h ASP 129 Ca 0.07 0.00 -0.33 0.00 -3.24 0.00 0.00 57.03 53.53 1rk0 h ASP 129 Cb 0.67 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 38.88 1rk0 h ASP 129 CO -0.00 0.00 -0.35 0.18 -2.04 0.00 0.00 179.24 177.03 1rk0 n LEU 130 N -2.41 -1.42 0.00 0.15 4.77 0.38 -4.81 117.00 113.67 1rk0 n LEU 130 Ca 0.03 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1rk0 n LEU 130 Cb 0.34 -2.36 0.00 0.00 -2.33 0.00 0.00 43.42 39.07 1rk0 n LEU 130 CO 0.26 -0.55 -0.30 0.29 -1.33 0.00 0.00 177.39 175.76 1rk0 n LYS 131 N -2.54 1.79 -4.43 3.23 5.02 -1.26 -4.64 118.16 115.32 1rk0 n LYS 131 Ca -0.17 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.87 1rk0 n LYS 131 Cb 0.58 -0.80 -0.11 0.00 -0.02 0.00 0.00 35.03 34.69 1rk0 n LYS 131 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1rk0 s THR 132 N -1.59 2.31 0.24 -0.18 -4.23 -1.26 -4.82 115.64 106.10 1rk0 s THR 132 Ca 0.00 -2.19 0.08 0.00 -1.18 0.00 0.00 61.69 58.40 1rk0 s THR 132 Cb 0.00 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 1rk0 s THR 132 CO 0.00 -0.29 0.08 0.26 -0.54 0.00 0.00 174.62 174.13 1rk0 s TRP 133 N -2.14 2.89 -0.17 3.99 0.52 -1.26 -0.86 118.94 121.90 1rk0 s TRP 133 Ca 0.24 -0.16 0.00 0.00 0.02 0.00 0.00 56.10 56.21 1rk0 s TRP 133 Cb -0.06 -1.31 0.03 0.00 -1.15 0.00 0.00 33.47 30.98 1rk0 s TRP 133 CO 0.11 0.56 -0.10 -0.08 0.02 0.00 0.00 176.95 177.47 1rk0 s THR 134 N -2.14 1.47 -0.08 2.01 -1.32 -0.11 -4.88 115.64 110.60 1rk0 s THR 134 Ca 0.31 -0.76 -0.14 0.00 -1.21 0.00 0.00 61.69 59.89 1rk0 s THR 134 Cb -0.08 -1.51 -0.05 0.00 -1.51 0.00 0.00 72.50 69.36 1rk0 s THR 134 CO 0.22 0.27 0.36 0.00 -2.21 0.00 0.00 174.62 173.26 1rk0 s ALA 135 N 1.49 3.64 0.09 11.08 0.00 -1.26 -2.07 121.76 134.74 1rk0 s ALA 135 Ca 0.02 -0.32 0.08 0.00 0.00 0.00 0.00 51.96 51.74 1rk0 s ALA 135 Cb -0.15 -2.40 -0.19 0.00 0.00 0.00 0.00 23.12 20.39 1rk0 s ALA 135 CO -0.09 0.29 1.26 0.00 0.00 0.00 0.00 175.76 177.23 1rk0 h ALA 136 N 5.67 0.40 -4.00 0.00 0.00 -0.50 -3.48 119.26 117.35 1rk0 h ALA 136 Ca -0.47 -0.90 -0.27 0.00 0.00 0.00 0.00 54.91 53.27 1rk0 h ALA 136 Cb 1.20 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 1rk0 h ALA 136 CO 0.68 1.21 -0.14 -0.40 0.00 0.00 0.00 179.25 180.60 1rk0 n ASP 137 N -3.32 -1.32 0.19 0.00 5.68 -1.26 -5.03 116.55 111.48 1rk0 n ASP 137 Ca -0.01 -2.84 0.05 0.00 -0.50 0.00 0.00 54.79 51.50 1rk0 n ASP 137 Cb 0.93 2.47 0.51 0.00 -1.14 0.00 0.00 41.12 43.89 1rk0 n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1rk0 h MET 138 N 0.00 0.11 -0.03 0.11 2.86 -1.98 -2.00 114.93 114.01 1rk0 h MET 138 Ca -0.26 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1rk0 h MET 138 Cb 1.15 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.79 1rk0 h MET 138 CO 0.36 0.19 0.01 0.00 1.06 0.00 0.00 176.91 178.52 1rk0 h ALA 139 N 1.83 0.03 0.00 6.32 0.00 -1.97 -2.37 119.26 123.11 1rk0 h ALA 139 Ca 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1rk0 h ALA 139 Cb 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1rk0 h ALA 139 CO 0.01 -0.38 -0.09 0.00 0.00 0.00 0.00 179.25 178.79 1rk0 h ALA 140 N 0.84 1.27 0.00 0.00 0.00 -1.75 -1.56 119.26 118.06 1rk0 h ALA 140 Ca 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1rk0 h ALA 140 Cb 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1rk0 h ALA 140 CO -0.00 0.11 -0.17 1.25 0.00 0.00 0.00 179.25 180.44 1rk0 h LEU 141 N 0.00 0.00 -0.10 0.00 5.85 -0.83 -0.45 115.31 119.78 1rk0 h LEU 141 Ca -0.00 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 1rk0 h LEU 141 Cb 0.28 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.32 1rk0 h LEU 141 CO 0.01 0.17 -0.45 0.40 -0.34 0.00 0.00 178.44 178.23 1rk0 h ILE 142 N 0.00 1.38 -0.77 4.05 2.04 -1.17 -2.53 117.51 120.51 1rk0 h ILE 142 Ca -0.00 -1.79 -0.03 0.00 1.00 0.00 0.00 64.86 64.04 1rk0 h ILE 142 Cb 0.42 2.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.68 1rk0 h ILE 142 CO 0.02 0.53 0.36 0.74 0.00 0.00 0.00 178.15 179.81 1rk0 h THR 143 N 0.06 1.25 -0.59 -0.27 2.02 -1.44 -2.50 112.91 111.44 1rk0 h THR 143 Ca -0.03 -0.71 0.04 0.00 0.77 0.00 0.00 66.41 66.48 1rk0 h THR 143 Cb 1.10 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1rk0 h THR 143 CO 0.09 0.30 0.34 0.50 0.37 0.00 0.00 175.52 177.13 1rk0 h LYS 144 N 1.10 0.65 -0.85 6.66 3.64 -1.05 -0.39 116.57 126.33 1rk0 h LYS 144 Ca 0.26 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1rk0 h LYS 144 Cb 0.13 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 1rk0 h LYS 144 CO -0.03 0.43 0.40 0.45 -2.27 0.00 0.00 179.45 178.43 1rk0 h HIS 145 N 0.67 1.23 -0.05 1.91 3.86 -1.09 -1.85 115.15 119.83 1rk0 h HIS 145 Ca 0.25 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1rk0 h HIS 145 Cb 0.08 -0.38 -0.00 0.00 1.06 0.00 0.00 27.41 28.16 1rk0 h HIS 145 CO -0.07 0.89 0.00 0.87 0.86 0.00 0.00 177.93 180.49 1rk0 h LYS 146 N 1.22 0.09 -0.27 2.45 1.57 -0.96 -2.59 116.57 118.08 1rk0 h LYS 146 Ca 0.29 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 1rk0 h LYS 146 Cb 0.13 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1rk0 h LYS 146 CO -0.03 0.36 0.08 -1.49 -0.57 0.00 0.00 179.45 177.79 1rk0 h TRP 147 N -0.20 0.37 -0.38 -1.35 6.55 -1.00 -0.82 115.95 119.12 1rk0 h TRP 147 Ca 0.01 -0.01 -0.15 0.00 0.95 0.00 0.00 58.89 59.70 1rk0 h TRP 147 Cb 0.32 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 28.49 1rk0 h TRP 147 CO 0.03 0.32 -0.33 0.93 -1.05 0.00 0.00 178.44 178.34 1rk0 h GLU 148 N 0.37 0.89 0.00 0.49 5.08 -1.30 0.20 114.58 120.32 1rk0 h GLU 148 Ca 0.09 -0.45 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 1rk0 h GLU 148 Cb 0.13 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1rk0 h GLU 148 CO -0.01 1.10 -0.33 1.96 -1.00 0.00 0.00 179.01 180.74 1rk0 h GLN 149 N 0.70 0.00 -0.01 2.33 1.08 -0.98 -2.78 115.11 115.45 1rk0 h GLN 149 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1rk0 h GLN 149 Cb 0.92 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 1rk0 h GLN 149 CO 0.08 0.33 -0.25 0.00 -0.95 0.00 0.00 178.83 178.04 1rk0 n ALA 150 N -2.43 3.06 -2.39 3.87 0.00 -0.38 -4.95 120.51 117.30 1rk0 n ALA 150 Ca -0.02 -0.53 -0.13 0.00 0.00 0.00 0.00 53.44 52.76 1rk0 n ALA 150 Cb 0.38 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1rk0 n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rk0 n GLY 151 N 1.34 -0.15 0.34 0.00 0.00 -0.38 -4.91 105.19 101.43 1rk0 n GLY 151 Ca 0.13 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 45.89 1rk0 n GLY 151 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1rk0 h GLU 152 N -0.24 0.91 -0.62 1.61 4.57 -0.94 -1.80 114.58 118.06 1rk0 h GLU 152 Ca -0.32 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 57.84 1rk0 h GLU 152 Cb 1.23 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 29.58 1rk0 h GLU 152 CO 0.37 0.60 0.38 0.00 -1.18 0.00 0.00 179.01 179.17 1rk0 h ALA 153 N 1.48 0.81 -0.65 2.92 0.00 -1.88 0.30 119.26 122.24 1rk0 h ALA 153 Ca 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1rk0 h ALA 153 Cb 0.36 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1rk0 h ALA 153 CO -0.24 0.11 0.37 0.93 0.00 0.00 0.00 179.25 180.42 1rk0 h GLU 154 N 0.73 0.90 -0.55 0.00 3.07 -1.61 0.20 114.58 117.31 1rk0 h GLU 154 Ca 0.26 -0.10 -0.09 0.00 -0.50 0.00 0.00 59.36 58.93 1rk0 h GLU 154 Cb 0.05 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 1rk0 h GLU 154 CO -0.12 0.67 -0.01 -0.09 -1.40 0.00 0.00 179.01 178.07 1rk0 h ARG 155 N 0.89 0.96 0.00 2.33 2.43 -0.89 -1.45 114.38 118.64 1rk0 h ARG 155 Ca 0.23 -0.29 -0.12 0.00 -0.81 0.00 0.00 59.98 58.99 1rk0 h ARG 155 Cb 0.02 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1rk0 h ARG 155 CO -0.04 0.95 -0.58 1.25 -1.51 0.00 0.00 179.97 180.04 1rk0 h LEU 156 N 0.88 0.00 -0.32 3.80 5.85 -0.44 -2.50 115.31 122.58 1rk0 h LEU 156 Ca 0.16 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.68 1rk0 h LEU 156 Cb 0.53 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1rk0 h LEU 156 CO 0.03 0.58 -0.83 -0.09 -0.34 0.00 0.00 178.44 177.79 1rk0 h ARG 157 N 0.00 0.32 -0.25 1.25 2.43 -0.23 -1.61 114.38 116.29 1rk0 h ARG 157 Ca -0.01 -0.31 -0.12 0.00 -0.81 0.00 0.00 59.98 58.74 1rk0 h ARG 157 Cb 1.10 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 1rk0 h ARG 157 CO 0.08 0.98 -0.35 0.00 -1.51 0.00 0.00 179.97 179.17 1rk0 h ALA 158 N 0.92 0.93 -0.01 2.80 0.00 -1.18 -0.93 119.26 121.79 1rk0 h ALA 158 Ca -0.05 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1rk0 h ALA 158 Cb 1.43 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1rk0 h ALA 158 CO 0.14 0.62 -0.00 -0.92 0.00 0.00 0.00 179.25 179.08 1rk0 h TYR 159 N 0.45 0.02 -0.30 0.00 3.20 -1.34 -1.01 116.97 117.99 1rk0 h TYR 159 Ca 0.05 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1rk0 h TYR 159 Cb 0.83 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 1rk0 h TYR 159 CO 0.03 0.44 0.15 -0.07 -1.64 0.00 0.00 178.16 177.07 1rk0 h LEU 160 N -0.40 0.38 -0.52 2.82 3.38 -1.22 0.45 115.31 120.20 1rk0 h LEU 160 Ca 0.00 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1rk0 h LEU 160 Cb 0.43 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1rk0 h LEU 160 CO 0.00 0.38 -0.23 -0.33 0.09 0.00 0.00 178.44 178.35 1rk0 h GLU 161 N 0.35 0.00 0.00 1.13 5.08 -1.24 -3.11 114.58 116.79 1rk0 h GLU 161 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1rk0 h GLU 161 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1rk0 h GLU 161 CO -0.01 0.23 0.00 0.41 -1.00 0.00 0.00 179.01 178.63 1rk0 n GLY 162 N 0.72 0.14 0.44 -3.84 0.00 -0.38 -4.68 105.19 97.58 1rk0 n GLY 162 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1rk0 n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1rk0 h THR 163 N 0.00 0.04 -0.12 2.61 2.02 -1.41 -0.88 112.91 115.18 1rk0 h THR 163 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1rk0 h THR 163 Cb 0.00 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 66.40 1rk0 h THR 163 CO 0.00 0.00 -0.19 0.00 0.37 0.00 0.00 175.52 175.70 1rk0 h VAL 165 N -0.25 1.22 -0.32 0.00 2.07 -1.44 -2.22 116.25 115.31 1rk0 h VAL 165 Ca 0.09 -0.40 -0.15 0.00 0.82 0.00 0.00 66.70 67.07 1rk0 h VAL 165 Cb 0.39 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1rk0 h VAL 165 CO -0.26 0.21 -0.39 -0.33 0.02 0.00 0.00 177.57 176.81 1rk0 h GLU 166 N 1.16 0.76 -0.11 1.57 5.08 -0.66 -2.24 114.58 120.14 1rk0 h GLU 166 Ca 0.32 -0.39 -0.19 0.00 -1.00 0.00 0.00 59.36 58.09 1rk0 h GLU 166 Cb -0.13 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1rk0 h GLU 166 CO -0.07 1.02 -0.72 -1.49 -1.00 0.00 0.00 179.01 176.75 1rk0 h TRP 167 N 0.62 0.69 -0.45 4.33 4.06 -1.23 -2.26 115.95 121.70 1rk0 h TRP 167 Ca 0.05 -0.30 0.04 0.00 2.06 0.00 0.00 58.89 60.74 1rk0 h TRP 167 Cb 0.95 -0.11 -0.04 0.00 -1.00 0.00 0.00 29.16 28.96 1rk0 h TRP 167 CO 0.05 1.07 0.23 1.25 -3.56 0.00 0.00 178.44 177.48 1rk0 h LEU 168 N 0.36 0.34 -0.72 -4.49 5.85 -1.30 0.52 115.31 115.86 1rk0 h LEU 168 Ca -0.03 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1rk0 h LEU 168 Cb 1.30 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 1rk0 h LEU 168 CO 0.13 0.24 0.39 0.03 -0.34 0.00 0.00 178.44 178.89 1rk0 h ARG 169 N 0.46 1.01 -0.62 1.25 3.08 -1.34 -0.83 114.38 117.40 1rk0 h ARG 169 Ca 0.20 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 1rk0 h ARG 169 Cb 0.10 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1rk0 h ARG 169 CO -0.13 0.76 0.05 -0.09 -1.07 0.00 0.00 179.97 179.48 1rk0 h ARG 170 N 1.00 1.05 -0.31 0.04 2.43 -0.69 -1.81 114.38 116.10 1rk0 h ARG 170 Ca 0.25 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1rk0 h ARG 170 Cb 0.04 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1rk0 h ARG 170 CO -0.04 1.01 0.10 1.88 -1.51 0.00 0.00 179.97 181.41 1rk0 h TYR 171 N 0.96 0.50 -0.84 2.20 0.05 0.38 -1.22 116.97 118.99 1rk0 h TYR 171 Ca 0.18 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 1rk0 h TYR 171 Cb 0.50 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.05 1rk0 h TYR 171 CO 0.04 0.50 0.50 -0.07 -1.05 0.00 0.00 178.16 178.08 1rk0 h LEU 172 N 0.34 1.01 0.50 3.88 3.38 -1.06 -0.40 115.31 122.97 1rk0 h LEU 172 Ca 0.10 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1rk0 h LEU 172 Cb 0.24 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1rk0 h LEU 172 CO -0.00 0.78 -0.24 0.50 0.09 0.00 0.00 178.44 179.57 1rk0 h LYS 173 N 1.16 -0.65 -0.19 1.13 3.64 -1.09 -1.20 116.57 119.38 1rk0 h LYS 173 Ca 0.30 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.68 1rk0 h LYS 173 Cb -0.04 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1rk0 h LYS 173 CO -0.06 -0.35 -0.10 -0.91 -2.27 0.00 0.00 179.45 175.76 1rk0 h ASN 174 N -0.89 0.27 -0.54 4.20 2.35 -1.11 -3.06 115.58 116.81 1rk0 h ASN 174 Ca -0.07 -0.05 -0.28 0.00 -0.55 0.00 0.00 56.30 55.35 1rk0 h ASN 174 Cb 0.60 -0.07 -0.17 0.00 0.05 0.00 0.00 38.32 38.73 1rk0 h ASN 174 CO 0.11 0.41 0.13 0.61 -1.65 0.00 0.00 177.43 177.04 1rk0 n GLY 175 N -0.89 4.79 0.37 2.83 0.00 -0.17 -4.73 105.19 107.39 1rk0 n GLY 175 Ca -0.00 -1.19 0.07 0.00 0.00 0.00 0.00 46.02 44.90 1rk0 n GLY 175 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1rk0 h ASN 176 N 1.01 0.84 -0.50 1.61 7.08 -1.11 0.24 115.58 124.75 1rk0 h ASN 176 Ca 0.34 0.03 0.07 0.00 -3.08 0.00 0.00 56.30 53.66 1rk0 h ASN 176 Cb 2.01 -0.14 -0.03 0.00 -2.08 0.00 0.00 38.32 38.08 1rk0 h ASN 176 CO 0.60 0.48 0.33 0.00 -2.08 0.00 0.00 177.43 176.77 1rk0 h ALA 177 N 1.55 1.96 0.00 4.14 0.00 -1.87 -1.90 119.26 123.13 1rk0 h ALA 177 Ca 0.43 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 1rk0 h ALA 177 Cb 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1rk0 h ALA 177 CO -0.20 -0.06 -0.82 2.41 0.00 0.00 0.00 179.25 180.58 1rk0 n THR 178 N -4.47 1.46 -0.24 0.00 -1.04 -0.43 -4.17 114.28 105.38 1rk0 n THR 178 Ca 0.07 0.15 -0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1rk0 n THR 178 Cb 0.28 -2.33 0.21 0.00 -1.82 0.00 0.00 70.33 66.67 1rk0 n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1rk0 h LEU 179 N -1.00 0.92 -1.49 -4.42 3.38 -0.65 -2.82 115.31 109.23 1rk0 h LEU 179 Ca -0.05 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1rk0 h LEU 179 Cb 0.78 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1rk0 h LEU 179 CO -0.03 0.69 0.00 0.18 0.09 0.00 0.00 178.44 179.37 1rk0 n LEU 180 N -4.40 2.21 -4.83 1.67 4.77 -0.72 -4.93 117.00 110.77 1rk0 n LEU 180 Ca 0.09 -0.99 -0.30 0.00 -0.03 0.00 0.00 56.01 54.77 1rk0 n LEU 180 Cb 0.05 -0.19 0.07 0.00 -2.33 0.00 0.00 43.42 41.01 1rk0 n LEU 180 CO 0.37 0.50 0.72 0.00 -1.33 0.00 0.00 177.39 177.65 1rk0 s ARG 181 N -1.62 2.50 -0.25 3.23 1.70 -1.07 -5.04 118.95 118.41 1rk0 s ARG 181 Ca 0.32 0.65 -0.03 0.00 -0.47 0.00 0.00 55.73 56.21 1rk0 s ARG 181 Cb 0.18 -1.97 0.08 0.00 -0.57 0.00 0.00 34.95 32.67 1rk0 s ARG 181 CO 0.25 -1.33 0.08 0.99 -1.08 0.00 0.00 175.30 174.21 1rk0 s THR 182 N -3.19 0.45 -0.21 4.99 2.01 -1.26 -4.52 115.64 113.91 1rk0 s THR 182 Ca 0.59 -0.85 -0.19 0.00 0.31 0.00 0.00 61.69 61.56 1rk0 s THR 182 Cb -0.13 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 1rk0 s THR 182 CO 0.54 -0.49 0.53 -1.81 -0.69 0.00 0.00 174.62 172.70 1rk0 s ASP 183 N 1.86 6.55 0.19 3.53 1.01 0.14 -4.90 116.67 125.06 1rk0 s ASP 183 Ca 0.05 0.67 -0.30 0.00 0.71 0.00 0.00 52.55 53.68 1rk0 s ASP 183 Cb -0.17 -2.30 -0.08 0.00 1.01 0.00 0.00 42.92 41.38 1rk0 s ASP 183 CO -0.20 -0.22 1.23 -0.44 0.21 0.00 0.00 175.17 175.75 1rk0 s SER 184 N 1.24 7.04 0.38 0.27 0.01 -1.26 -1.35 113.70 120.02 1rk0 s SER 184 Ca 0.24 2.29 -0.27 0.00 1.31 0.00 0.00 55.95 59.52 1rk0 s SER 184 Cb -0.15 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.37 1rk0 s SER 184 CO 0.09 -0.41 1.32 -2.84 0.41 0.00 0.00 173.24 171.81 1rk0 s PRO 185 N -0.27 4.12 -0.22 12.44 0.02 -1.26 -4.43 135.00 145.39 1rk0 s PRO 185 Ca 0.53 2.21 -0.05 0.00 0.02 0.00 0.00 61.00 63.71 1rk0 s PRO 185 Cb -0.34 -2.88 -0.02 0.00 0.02 0.00 0.00 34.50 31.28 1rk0 s PRO 185 CO 0.37 -0.39 0.00 0.15 -0.33 0.00 0.00 177.00 176.81 1rk0 s LYS 186 N -2.07 3.53 0.24 5.54 1.02 0.21 -4.86 119.74 123.34 1rk0 s LYS 186 Ca 0.54 -0.55 0.09 0.00 0.02 0.00 0.00 55.97 56.07 1rk0 s LYS 186 Cb -0.39 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 1rk0 s LYS 186 CO 0.51 -0.14 -0.05 0.00 -0.92 0.00 0.00 175.35 174.76 1rk0 s ALA 187 N 1.39 3.07 0.06 5.17 0.00 -1.26 0.01 121.76 130.19 1rk0 s ALA 187 Ca 0.05 -1.60 -0.27 0.00 0.00 0.00 0.00 51.96 50.14 1rk0 s ALA 187 Cb -0.15 -0.73 0.09 0.00 0.00 0.00 0.00 23.12 22.33 1rk0 s ALA 187 CO 0.00 0.34 0.87 -3.38 0.00 0.00 0.00 175.76 173.60 1rk0 s HIS 188 N -2.12 -0.30 -0.04 0.00 -3.43 -0.98 -5.00 115.29 103.42 1rk0 s HIS 188 Ca 0.29 0.11 0.05 0.00 -0.80 0.00 0.00 55.06 54.71 1rk0 s HIS 188 Cb -0.07 0.57 -0.01 0.00 -1.43 0.00 0.00 32.58 31.64 1rk0 s HIS 188 CO 0.18 -0.67 -0.19 0.08 -2.00 0.00 0.00 174.74 172.14 1rk0 s VAL 189 N -3.25 1.56 0.18 -5.38 1.01 -1.26 -1.07 120.40 112.19 1rk0 s VAL 189 Ca 0.07 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.32 1rk0 s VAL 189 Cb -0.01 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1rk0 s VAL 189 CO -0.06 0.44 -0.05 0.42 0.00 0.00 0.00 175.10 175.86 1rk0 s THR 190 N -0.11 3.47 -0.06 3.92 -4.23 -0.22 -4.95 115.64 113.45 1rk0 s THR 190 Ca -0.01 -1.53 0.06 0.00 -1.18 0.00 0.00 61.69 59.02 1rk0 s THR 190 Cb -0.11 -2.73 -0.01 0.00 1.34 0.00 0.00 72.50 70.99 1rk0 s THR 190 CO 0.02 -0.11 -0.24 -2.28 -0.54 0.00 0.00 174.62 171.47 1rk0 s HIS 191 N -1.72 2.32 -0.03 3.99 5.04 -1.26 -1.51 115.29 122.12 1rk0 s HIS 191 Ca 0.26 -0.71 0.00 0.00 -1.54 0.00 0.00 55.06 53.08 1rk0 s HIS 191 Cb -0.09 -1.53 0.03 0.00 0.04 0.00 0.00 32.58 31.03 1rk0 s HIS 191 CO 0.17 -0.22 0.01 -1.01 -2.34 0.00 0.00 174.74 171.34 1rk0 s HIS 192 N -0.10 0.28 0.40 3.88 3.76 -0.63 -4.99 115.29 117.89 1rk0 s HIS 192 Ca -0.05 0.02 -0.24 0.00 -0.15 0.00 0.00 55.06 54.64 1rk0 s HIS 192 Cb -0.14 -0.40 -0.09 0.00 1.11 0.00 0.00 32.58 33.06 1rk0 s HIS 192 CO 0.04 -0.13 1.06 -1.54 -0.85 0.00 0.00 174.74 173.32 1rk0 s SER 193 N 1.10 6.74 0.24 1.40 1.04 -1.26 0.21 113.70 123.17 1rk0 s SER 193 Ca -0.09 2.08 0.05 0.00 0.48 0.00 0.00 55.95 58.47 1rk0 s SER 193 Cb -0.13 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.34 1rk0 s SER 193 CO -0.02 -0.51 -0.03 -0.13 0.98 0.00 0.00 173.24 173.53 1rk0 s ARG 194 N -2.45 1.39 0.39 4.02 0.52 0.97 -4.82 118.95 118.97 1rk0 s ARG 194 Ca 0.57 -1.70 -0.26 0.00 -0.52 0.00 0.00 55.73 53.83 1rk0 s ARG 194 Cb -0.23 -0.81 -0.09 0.00 0.52 0.00 0.00 34.95 34.34 1rk0 s ARG 194 CO 0.29 -0.03 1.20 -2.14 0.02 0.00 0.00 175.30 174.63 1rk0 s PRO 195 N -3.80 4.07 -0.43 3.54 0.02 -1.26 -3.91 135.00 133.22 1rk0 s PRO 195 Ca 0.28 1.91 -0.01 0.00 0.02 0.00 0.00 61.00 63.19 1rk0 s PRO 195 Cb 0.05 -2.72 -0.02 0.00 0.02 0.00 0.00 34.50 31.83 1rk0 s PRO 195 CO 0.09 -0.33 0.39 0.39 -0.33 0.00 0.00 177.00 177.22 1rk0 n GLU 196 N 0.15 -0.86 -3.85 5.54 1.02 -1.26 -4.15 120.64 117.23 1rk0 n GLU 196 Ca 0.04 0.73 -0.30 0.00 -0.02 0.00 0.00 57.16 57.61 1rk0 n GLU 196 Cb 0.46 -3.61 -0.07 0.00 -0.02 0.00 0.00 31.44 28.20 1rk0 n GLU 196 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1rk0 n ASP 197 N -1.82 -0.64 -4.23 1.62 9.92 -1.26 -4.92 116.55 115.22 1rk0 n ASP 197 Ca -0.02 -0.96 -0.23 0.00 -0.53 0.00 0.00 54.79 53.05 1rk0 n ASP 197 Cb 0.53 -1.22 -0.13 0.00 -0.64 0.00 0.00 41.12 39.66 1rk0 n ASP 197 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1rk0 s LYS 198 N -5.98 1.13 0.08 -1.24 1.02 -1.25 -0.18 119.74 113.32 1rk0 s LYS 198 Ca 0.41 -0.97 0.05 0.00 0.02 0.00 0.00 55.97 55.49 1rk0 s LYS 198 Cb -0.24 -1.25 -0.03 0.00 -0.52 0.00 0.00 37.83 35.79 1rk0 s LYS 198 CO 0.78 0.30 -0.14 0.14 -0.92 0.00 0.00 175.35 175.52 1rk0 s VAL 199 N -0.98 1.12 -0.22 3.17 -7.23 0.20 -0.02 120.40 116.44 1rk0 s VAL 199 Ca 0.05 -1.40 -0.12 0.00 -1.81 0.00 0.00 61.98 58.69 1rk0 s VAL 199 Cb -0.09 -1.17 -0.05 0.00 0.56 0.00 0.00 36.38 35.63 1rk0 s VAL 199 CO 0.02 -0.29 0.23 -0.89 -0.31 0.00 0.00 175.10 173.86 1rk0 s THR 200 N -1.53 5.32 -0.17 5.32 2.01 0.13 -0.74 115.64 125.98 1rk0 s THR 200 Ca 0.00 0.35 -0.05 0.00 0.31 0.00 0.00 61.69 62.31 1rk0 s THR 200 Cb -0.08 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1rk0 s THR 200 CO 0.02 0.34 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.52 1rk0 s LEU 201 N 0.99 3.36 -0.13 4.42 1.43 -0.35 -1.60 118.68 126.80 1rk0 s LEU 201 Ca 0.11 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 1rk0 s LEU 201 Cb -0.13 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.27 1rk0 s LEU 201 CO 0.05 0.15 -0.20 -0.60 0.23 0.00 0.00 176.35 175.98 1rk0 s ARG 202 N 0.47 2.80 -0.21 1.70 3.52 -0.57 -1.78 118.95 124.87 1rk0 s ARG 202 Ca -0.02 -0.77 -0.08 0.00 -0.13 0.00 0.00 55.73 54.72 1rk0 s ARG 202 Cb -0.14 -2.27 -0.04 0.00 -1.56 0.00 0.00 34.95 30.94 1rk0 s ARG 202 CO 0.02 -0.01 0.09 0.00 -0.81 0.00 0.00 175.30 174.59 1rk0 s TRP 204 N 0.81 2.78 -0.20 0.00 0.52 -0.23 -1.65 118.94 120.98 1rk0 s TRP 204 Ca 0.05 -0.29 0.00 0.00 0.02 0.00 0.00 56.10 55.87 1rk0 s TRP 204 Cb -0.13 -1.73 0.02 0.00 -1.15 0.00 0.00 33.47 30.48 1rk0 s TRP 204 CO 0.02 0.07 -0.15 0.00 0.02 0.00 0.00 176.95 176.91 1rk0 s ALA 205 N -0.34 2.47 0.15 0.98 0.00 -0.22 -2.32 121.76 122.48 1rk0 s ALA 205 Ca 0.04 -1.29 0.09 0.00 0.00 0.00 0.00 51.96 50.80 1rk0 s ALA 205 Cb -0.13 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 1rk0 s ALA 205 CO 0.02 -0.49 -0.21 -0.51 0.00 0.00 0.00 175.76 174.58 1rk0 s LEU 206 N 1.31 2.40 -1.67 0.00 1.43 0.10 -1.89 118.68 120.36 1rk0 s LEU 206 Ca 0.03 -0.81 -0.02 0.00 -1.03 0.00 0.00 54.13 52.30 1rk0 s LEU 206 Cb -0.14 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.15 1rk0 s LEU 206 CO -0.10 0.03 0.30 0.61 0.23 0.00 0.00 176.35 177.42 1rk0 n GLY 207 N 0.52 -0.51 3.93 -3.19 0.00 -1.05 -0.62 105.19 104.27 1rk0 n GLY 207 Ca -0.15 0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 1rk0 n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1rk0 s PHE 208 N -3.10 3.40 -0.23 1.61 -0.12 -1.13 -4.48 117.98 113.93 1rk0 s PHE 208 Ca 0.15 0.02 -0.18 0.00 -0.05 0.00 0.00 56.93 56.87 1rk0 s PHE 208 Cb -0.07 -1.58 0.06 0.00 -0.63 0.00 0.00 43.02 40.80 1rk0 s PHE 208 CO 0.18 0.49 0.58 -0.47 -0.05 0.00 0.00 175.22 175.95 1rk0 s TYR 209 N -1.88 -0.73 1.11 3.49 5.04 -0.45 -1.42 117.35 122.51 1rk0 s TYR 209 Ca 0.34 1.65 -0.19 0.00 -2.44 0.00 0.00 57.07 56.43 1rk0 s TYR 209 Cb -0.10 0.31 0.27 0.00 0.35 0.00 0.00 41.96 42.80 1rk0 s TYR 209 CO 0.28 -0.36 1.06 -0.35 -1.34 0.00 0.00 175.55 174.84 1rk0 n PRO 210 N 3.29 -2.71 -0.26 4.97 -0.04 -1.26 -0.68 135.00 138.31 1rk0 n PRO 210 Ca -0.16 -1.69 -0.03 0.00 -0.04 0.00 0.00 63.50 61.58 1rk0 n PRO 210 Cb 0.56 -1.49 0.09 0.00 -0.04 0.00 0.00 33.50 32.62 1rk0 n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rk0 h ALA 211 N -2.54 0.97 -2.04 0.55 0.00 -1.95 -3.44 119.26 110.80 1rk0 h ALA 211 Ca -0.39 -0.02 -0.62 0.00 0.00 0.00 0.00 54.91 53.88 1rk0 h ALA 211 Cb 1.17 -0.23 0.04 0.00 0.00 0.00 0.00 17.79 18.77 1rk0 h ALA 211 CO 0.26 0.23 0.80 -3.47 0.00 0.00 0.00 179.25 177.07 1rk0 n ASP 212 N -4.65 2.82 -3.52 0.00 2.03 -1.26 -4.96 116.55 107.01 1rk0 n ASP 212 Ca 0.08 1.06 -0.11 0.00 0.52 0.00 0.00 54.79 56.35 1rk0 n ASP 212 Cb 0.10 -1.34 -0.02 0.00 -0.72 0.00 0.00 41.12 39.14 1rk0 n ASP 212 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1rk0 s ILE 213 N 1.76 0.00 -0.04 5.18 2.07 -1.26 -4.69 121.20 124.21 1rk0 s ILE 213 Ca 0.85 -0.22 0.01 0.00 -1.41 0.00 0.00 60.65 59.87 1rk0 s ILE 213 Cb -0.77 -1.22 0.02 0.00 0.13 0.00 0.00 42.46 40.62 1rk0 s ILE 213 CO 0.45 -0.00 -0.05 -0.89 -1.91 0.00 0.00 174.94 172.54 1rk0 s THR 214 N -3.79 0.56 -0.14 4.00 2.01 -0.83 -5.01 115.64 112.44 1rk0 s THR 214 Ca 0.03 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 61.90 1rk0 s THR 214 Cb -0.02 -0.57 0.02 0.00 0.01 0.00 0.00 72.50 71.93 1rk0 s THR 214 CO -0.09 0.23 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.14 1rk0 s LEU 215 N 0.86 1.85 0.00 4.42 1.43 -1.26 -1.43 118.68 124.55 1rk0 s LEU 215 Ca -0.12 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.48 1rk0 s LEU 215 Cb -0.14 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 1rk0 s LEU 215 CO 0.00 -0.00 -0.06 0.42 0.23 0.00 0.00 176.35 176.94 1rk0 s THR 216 N 1.19 0.50 -0.13 5.49 -4.23 -0.69 -4.99 115.64 112.79 1rk0 s THR 216 Ca -0.00 -0.38 -0.06 0.00 -1.18 0.00 0.00 61.69 60.06 1rk0 s THR 216 Cb -0.14 -0.44 -0.04 0.00 1.34 0.00 0.00 72.50 73.22 1rk0 s THR 216 CO -0.07 0.06 0.10 0.26 -0.54 0.00 0.00 174.62 174.43 1rk0 s TRP 217 N -0.32 3.44 0.13 3.99 0.52 -1.26 -1.10 118.94 124.34 1rk0 s TRP 217 Ca 0.01 0.38 0.07 0.00 0.02 0.00 0.00 56.10 56.58 1rk0 s TRP 217 Cb -0.03 -1.95 -0.04 0.00 -1.15 0.00 0.00 33.47 30.30 1rk0 s TRP 217 CO -0.00 0.56 -0.16 -0.65 0.02 0.00 0.00 176.95 176.72 1rk0 s GLN 218 N -0.66 1.10 -0.21 4.98 -0.21 -0.56 -1.54 119.66 122.56 1rk0 s GLN 218 Ca 0.12 -1.26 -0.04 0.00 0.02 0.00 0.00 55.36 54.20 1rk0 s GLN 218 Cb -0.12 -1.09 0.08 0.00 1.00 0.00 0.00 33.01 32.88 1rk0 s GLN 218 CO 0.02 0.22 0.13 -1.17 -2.12 0.00 0.00 175.29 172.38 1rk0 s LEU 219 N -2.40 0.28 -1.23 2.90 2.96 -0.03 -2.37 118.68 118.79 1rk0 s LEU 219 Ca 0.10 -0.70 -0.05 0.00 -0.22 0.00 0.00 54.13 53.27 1rk0 s LEU 219 Cb -0.06 -0.13 0.01 0.00 0.50 0.00 0.00 46.19 46.51 1rk0 s LEU 219 CO 0.04 -0.37 0.63 0.59 -1.32 0.00 0.00 176.35 175.93 1rk0 n ASN 220 N 5.28 -5.39 0.00 3.68 3.02 -1.26 -2.59 115.26 118.00 1rk0 n ASN 220 Ca -0.06 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.19 1rk0 n ASN 220 Cb 0.47 -4.17 0.00 0.00 -0.61 0.00 0.00 39.78 35.48 1rk0 n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rk0 n GLY 221 N -1.49 2.53 3.90 7.41 0.00 -1.26 -5.04 105.19 111.25 1rk0 n GLY 221 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1rk0 n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1rk0 s GLU 222 N -0.43 3.60 0.42 1.61 -1.05 -1.07 -5.04 118.70 116.74 1rk0 s GLU 222 Ca 0.00 -0.12 -0.05 0.00 -0.15 0.00 0.00 54.97 54.64 1rk0 s GLU 222 Cb 0.00 -2.81 -0.04 0.00 -0.44 0.00 0.00 34.13 30.83 1rk0 s GLU 222 CO 0.00 0.41 0.72 -1.21 0.95 0.00 0.00 175.26 176.13 1rk0 s GLU 223 N -2.93 3.59 -0.26 -4.83 2.02 -1.26 -0.85 118.70 114.18 1rk0 s GLU 223 Ca 0.41 0.16 0.12 0.00 0.02 0.00 0.00 54.97 55.68 1rk0 s GLU 223 Cb -0.12 -2.45 0.47 0.00 0.10 0.00 0.00 34.13 32.13 1rk0 s GLU 223 CO 0.26 -0.07 1.17 1.28 0.02 0.00 0.00 175.26 177.92 1rk0 n LEU 224 N -1.83 3.71 0.25 1.80 4.77 -0.59 -4.81 117.00 120.31 1rk0 n LEU 224 Ca -0.00 -4.12 0.14 0.00 -0.03 0.00 0.00 56.01 52.00 1rk0 n LEU 224 Cb 0.55 -0.13 0.75 0.00 -2.33 0.00 0.00 43.42 42.26 1rk0 n LEU 224 CO 0.51 1.71 0.99 0.40 -1.33 0.00 0.00 177.39 179.67 1rk0 h ILE 225 N 3.13 0.00 -0.01 -0.08 5.03 -1.95 -2.38 117.51 121.26 1rk0 h ILE 225 Ca 0.18 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.90 1rk0 h ILE 225 Cb 1.43 0.61 0.00 0.00 -3.03 0.00 0.00 36.82 35.84 1rk0 h ILE 225 CO 0.52 0.00 -0.09 -0.61 -0.68 0.00 0.00 178.15 177.29 1rk0 h GLN 226 N 0.00 0.08 -0.76 2.37 4.15 -1.99 -3.33 115.11 115.63 1rk0 h GLN 226 Ca 0.00 -0.07 -0.37 0.00 0.77 0.00 0.00 58.65 58.98 1rk0 h GLN 226 Cb 0.32 0.02 -0.22 0.00 0.21 0.00 0.00 27.48 27.81 1rk0 h GLN 226 CO 0.00 0.78 0.38 -0.25 -1.93 0.00 0.00 178.83 177.81 1rk0 n ASP 227 N -4.66 3.55 -4.71 -0.69 9.92 -0.93 -4.96 116.55 114.08 1rk0 n ASP 227 Ca -0.09 -3.59 -0.35 0.00 -0.53 0.00 0.00 54.79 50.23 1rk0 n ASP 227 Cb 0.40 -0.76 -0.09 0.00 -0.64 0.00 0.00 41.12 40.03 1rk0 n ASP 227 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1rk0 s MET 228 N -3.23 3.50 0.02 -1.24 1.75 -1.01 -4.44 119.30 114.65 1rk0 s MET 228 Ca 0.53 -0.32 0.01 0.00 -1.25 0.00 0.00 55.69 54.65 1rk0 s MET 228 Cb 0.45 -3.05 -0.04 0.00 2.84 0.00 0.00 34.83 35.03 1rk0 s MET 228 CO 0.08 0.54 0.08 -2.00 -0.65 0.00 0.00 175.02 173.07 1rk0 s GLU 229 N -0.39 3.02 0.26 4.11 2.12 0.15 -4.92 118.70 123.05 1rk0 s GLU 229 Ca 0.09 -0.54 -0.21 0.00 0.36 0.00 0.00 54.97 54.67 1rk0 s GLU 229 Cb -0.12 -2.83 0.05 0.00 0.26 0.00 0.00 34.13 31.50 1rk0 s GLU 229 CO 0.02 0.62 0.86 -0.48 -0.54 0.00 0.00 175.26 175.74 1rk0 s LEU 230 N -1.93 -0.12 0.05 2.70 2.34 -1.26 0.10 118.68 120.56 1rk0 s LEU 230 Ca 0.25 -0.72 0.06 0.00 0.06 0.00 0.00 54.13 53.78 1rk0 s LEU 230 Cb -0.12 2.50 -0.02 0.00 -0.56 0.00 0.00 46.19 47.99 1rk0 s LEU 230 CO 0.16 -1.27 -0.17 0.68 -1.06 0.00 0.00 176.35 174.69 1rk0 s VAL 231 N -3.00 1.40 0.28 1.48 -7.23 -1.12 -5.03 120.40 107.19 1rk0 s VAL 231 Ca 0.14 -1.13 -0.30 0.00 -1.81 0.00 0.00 61.98 58.89 1rk0 s VAL 231 Cb -0.04 -1.24 -0.13 0.00 0.56 0.00 0.00 36.38 35.53 1rk0 s VAL 231 CO 0.07 0.08 1.41 -0.62 -0.31 0.00 0.00 175.10 175.73 1rk0 n GLU 232 N 1.81 2.21 -1.56 4.82 1.02 -1.26 -4.52 120.64 123.16 1rk0 n GLU 232 Ca -0.18 0.78 -0.45 0.00 -0.02 0.00 0.00 57.16 57.30 1rk0 n GLU 232 Cb 0.54 -2.44 -0.02 0.00 -0.02 0.00 0.00 31.44 29.50 1rk0 n GLU 232 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1rk0 n THR 233 N 1.43 2.01 -4.09 2.62 -1.04 -1.26 -4.93 114.28 109.02 1rk0 n THR 233 Ca 0.09 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.49 1rk0 n THR 233 Cb 0.34 -0.85 -0.11 0.00 -1.82 0.00 0.00 70.33 67.89 1rk0 n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rk0 s ARG 234 N -1.50 0.60 0.31 -2.82 1.70 -0.57 -4.97 118.95 111.70 1rk0 s ARG 234 Ca 0.60 -0.99 -0.28 0.00 -0.47 0.00 0.00 55.73 54.59 1rk0 s ARG 234 Cb -0.72 -0.12 -0.09 0.00 -0.57 0.00 0.00 34.95 33.45 1rk0 s ARG 234 CO 0.59 -0.01 1.11 -1.25 -1.08 0.00 0.00 175.30 174.65 1rk0 s PRO 235 N -2.65 4.49 0.00 3.89 0.04 -1.26 -0.48 135.00 139.04 1rk0 s PRO 235 Ca -0.01 1.78 0.18 0.00 0.04 0.00 0.00 61.00 62.98 1rk0 s PRO 235 Cb -0.02 -3.03 0.36 0.00 0.04 0.00 0.00 34.50 31.85 1rk0 s PRO 235 CO -0.03 0.09 1.29 0.00 0.04 0.00 0.00 177.00 178.38 1rk0 n ALA 236 N 0.86 2.37 -0.13 8.56 0.00 -0.07 -4.86 120.51 127.23 1rk0 n ALA 236 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.45 1rk0 n ALA 236 Cb 0.46 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1rk0 n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rk0 n GLY 237 N 1.14 0.59 0.79 0.00 0.00 -1.26 -4.91 105.19 101.54 1rk0 n GLY 237 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 1rk0 n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rk0 n ASP 238 N 0.00 0.98 0.00 1.61 5.75 -1.26 -4.97 116.55 118.66 1rk0 n ASP 238 Ca 0.00 -2.47 0.00 0.00 -0.01 0.00 0.00 54.79 52.31 1rk0 n ASP 238 Cb 0.00 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 1rk0 n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rk0 n GLY 239 N -0.23 0.76 3.72 6.12 0.00 -1.26 -5.04 105.19 109.26 1rk0 n GLY 239 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1rk0 n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rk0 s THR 240 N -2.83 2.01 0.35 2.61 -4.23 -1.26 -4.92 115.64 107.37 1rk0 s THR 240 Ca 0.00 -1.82 0.05 0.00 -1.18 0.00 0.00 61.69 58.74 1rk0 s THR 240 Cb 0.00 -2.82 -0.07 0.00 1.34 0.00 0.00 72.50 70.95 1rk0 s THR 240 CO 0.00 0.00 0.05 -0.36 -0.54 0.00 0.00 174.62 173.77 1rk0 s PHE 241 N -2.69 2.11 0.10 3.99 0.40 -0.51 -0.89 117.98 120.50 1rk0 s PHE 241 Ca 0.34 -0.88 -0.10 0.00 -0.60 0.00 0.00 56.93 55.69 1rk0 s PHE 241 Cb 0.05 -1.42 0.00 0.00 0.51 0.00 0.00 43.02 42.17 1rk0 s PHE 241 CO 0.18 0.13 0.23 1.14 0.70 0.00 0.00 175.22 177.59 1rk0 s GLN 242 N -3.84 0.90 0.04 0.44 -2.07 0.37 -2.51 119.66 112.98 1rk0 s GLN 242 Ca 0.36 -0.94 -0.28 0.00 -1.82 0.00 0.00 55.36 52.68 1rk0 s GLN 242 Cb 0.09 0.36 0.07 0.00 -1.09 0.00 0.00 33.01 32.45 1rk0 s GLN 242 CO 0.16 -0.30 0.66 0.21 -1.32 0.00 0.00 175.29 174.71 1rk0 s LYS 243 N -3.86 1.13 0.03 9.60 2.20 -0.79 -1.51 119.74 126.54 1rk0 s LYS 243 Ca 0.06 -0.07 -0.05 0.00 -0.36 0.00 0.00 55.97 55.55 1rk0 s LYS 243 Cb 0.04 0.53 -0.01 0.00 -1.51 0.00 0.00 37.83 36.88 1rk0 s LYS 243 CO -0.10 -0.42 0.08 1.67 -0.36 0.00 0.00 175.35 176.21 1rk0 s TRP 244 N -2.34 0.20 -0.01 4.03 1.48 -1.26 -1.06 118.94 119.98 1rk0 s TRP 244 Ca -0.05 -0.47 0.00 0.00 -1.06 0.00 0.00 56.10 54.52 1rk0 s TRP 244 Cb -0.00 -0.15 0.01 0.00 -1.16 0.00 0.00 33.47 32.17 1rk0 s TRP 244 CO -0.01 -0.32 0.01 0.00 -4.06 0.00 0.00 176.95 172.57 1rk0 s ALA 245 N -2.25 0.11 0.14 2.67 0.00 -0.66 -2.79 121.76 118.98 1rk0 s ALA 245 Ca -0.08 0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.06 1rk0 s ALA 245 Cb -0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1rk0 s ALA 245 CO -0.03 -0.04 -0.14 -1.54 0.00 0.00 0.00 175.76 174.00 1rk0 s SER 246 N 0.53 2.16 -0.01 0.00 1.04 0.29 -0.77 113.70 116.93 1rk0 s SER 246 Ca -0.05 -0.86 -0.06 0.00 0.48 0.00 0.00 55.95 55.46 1rk0 s SER 246 Cb -0.07 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1rk0 s SER 246 CO -0.01 -0.15 0.13 0.54 0.98 0.00 0.00 173.24 174.73 1rk0 s VAL 247 N -2.34 0.06 -0.26 5.02 0.11 -0.73 0.33 120.40 122.59 1rk0 s VAL 247 Ca 0.12 -0.53 -0.13 0.00 -2.93 0.00 0.00 61.98 58.51 1rk0 s VAL 247 Cb -0.04 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.40 1rk0 s VAL 247 CO 0.04 -0.29 0.30 -0.69 -3.33 0.00 0.00 175.10 171.13 1rk0 s VAL 248 N -1.02 5.23 0.26 2.04 1.01 -1.26 -1.21 120.40 125.45 1rk0 s VAL 248 Ca -0.11 0.43 0.09 0.00 0.00 0.00 0.00 61.98 62.39 1rk0 s VAL 248 Cb -0.06 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1rk0 s VAL 248 CO 0.01 0.21 -0.14 0.68 0.00 0.00 0.00 175.10 175.87 1rk0 s VAL 249 N 1.79 2.01 0.25 2.92 -7.23 0.08 -4.95 120.40 115.27 1rk0 s VAL 249 Ca 0.12 -2.25 -0.30 0.00 -1.81 0.00 0.00 61.98 57.74 1rk0 s VAL 249 Cb -0.15 -2.28 -0.09 0.00 0.56 0.00 0.00 36.38 34.41 1rk0 s VAL 249 CO 0.09 -0.43 1.31 -2.84 -0.31 0.00 0.00 175.10 172.93 1rk0 s PRO 250 N -3.62 4.38 0.48 4.82 0.02 -1.26 -0.63 135.00 139.20 1rk0 s PRO 250 Ca 0.27 2.12 -0.23 0.00 0.02 0.00 0.00 61.00 63.18 1rk0 s PRO 250 Cb -0.01 -3.15 -0.08 0.00 0.02 0.00 0.00 34.50 31.29 1rk0 s PRO 250 CO 0.12 -0.23 1.22 -0.11 -0.33 0.00 0.00 177.00 177.67 1rk0 n LEU 251 N 1.98 4.23 0.00 -5.54 7.94 0.75 -1.44 117.00 124.94 1rk0 n LEU 251 Ca 0.04 1.02 0.00 0.00 -1.11 0.00 0.00 56.01 55.96 1rk0 n LEU 251 Cb 0.42 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 42.88 1rk0 n LEU 251 CO 0.58 -0.90 0.00 0.61 -1.11 0.00 0.00 177.39 176.57 1rk0 n GLY 252 N 0.91 2.80 1.29 -3.96 0.00 -1.26 -4.78 105.19 100.19 1rk0 n GLY 252 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.16 1rk0 n GLY 252 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rk0 n LYS 253 N -1.97 3.38 -0.08 1.61 4.81 -0.52 -4.67 118.16 120.73 1rk0 n LYS 253 Ca 0.00 -2.98 -0.11 0.00 -0.87 0.00 0.00 58.31 54.35 1rk0 n LYS 253 Cb 0.00 -1.99 -0.04 0.00 0.02 0.00 0.00 35.03 33.02 1rk0 n LYS 253 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1rk0 h GLU 254 N 2.33 0.37 0.00 1.64 3.07 -1.87 -3.05 114.58 117.08 1rk0 h GLU 254 Ca 0.06 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1rk0 h GLU 254 Cb 1.71 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.57 1rk0 h GLU 254 CO 0.37 0.45 0.34 -0.56 -1.40 0.00 0.00 179.01 178.21 1rk0 h GLN 255 N 0.23 0.00 -0.22 2.33 3.07 -1.89 -0.71 115.11 117.92 1rk0 h GLN 255 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.82 1rk0 h GLN 255 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.79 1rk0 h GLN 255 CO -0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 1rk0 n TYR 256 N -2.31 0.28 -5.13 0.06 4.01 -1.15 -4.83 117.16 108.09 1rk0 n TYR 256 Ca -0.01 -0.14 -0.32 0.00 -0.16 0.00 0.00 57.90 57.27 1rk0 n TYR 256 Cb 0.37 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.24 1rk0 n TYR 256 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1rk0 s TYR 257 N -1.72 2.60 0.08 -0.72 1.51 -0.27 -4.13 117.35 114.70 1rk0 s TYR 257 Ca 0.30 -0.91 0.08 0.00 -1.01 0.00 0.00 57.07 55.54 1rk0 s TYR 257 Cb 0.16 -1.72 -0.03 0.00 -0.11 0.00 0.00 41.96 40.26 1rk0 s TYR 257 CO 0.24 -0.34 -0.21 0.95 -1.11 0.00 0.00 175.55 175.07 1rk0 s THR 258 N 0.25 1.75 -0.11 -0.71 -4.23 -1.00 -4.49 115.64 107.11 1rk0 s THR 258 Ca -0.15 -1.41 -0.08 0.00 -1.18 0.00 0.00 61.69 58.87 1rk0 s THR 258 Cb -0.17 -1.56 -0.04 0.00 1.34 0.00 0.00 72.50 72.07 1rk0 s THR 258 CO 0.07 0.08 0.17 0.00 -0.54 0.00 0.00 174.62 174.41 1rk0 s HIS 260 N -0.98 2.14 -0.23 0.00 3.76 -0.26 -1.05 115.29 118.68 1rk0 s HIS 260 Ca 0.16 -1.06 -0.02 0.00 -0.15 0.00 0.00 55.06 53.99 1rk0 s HIS 260 Cb -0.13 -1.53 0.02 0.00 1.11 0.00 0.00 32.58 32.05 1rk0 s HIS 260 CO 0.05 -0.54 -0.09 0.08 -0.85 0.00 0.00 174.74 173.39 1rk0 s VAL 261 N 1.06 2.80 -0.13 -0.90 1.01 -0.89 -1.70 120.40 121.65 1rk0 s VAL 261 Ca -0.04 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1rk0 s VAL 261 Cb -0.15 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 1rk0 s VAL 261 CO -0.04 0.33 -0.08 -0.31 0.00 0.00 0.00 175.10 175.00 1rk0 s TYR 262 N 1.35 2.91 -0.13 5.22 1.51 -0.52 -1.75 117.35 125.95 1rk0 s TYR 262 Ca 0.03 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.39 1rk0 s TYR 262 Cb -0.15 -1.87 0.07 0.00 -0.11 0.00 0.00 41.96 39.90 1rk0 s TYR 262 CO -0.06 -0.06 0.72 -1.58 -1.11 0.00 0.00 175.55 173.46 1rk0 s HIS 263 N 0.18 -0.68 -1.14 2.71 2.46 -1.26 -1.96 115.29 115.59 1rk0 s HIS 263 Ca -0.05 1.35 0.00 0.00 0.47 0.00 0.00 55.06 56.84 1rk0 s HIS 263 Cb -0.14 0.37 0.00 0.00 -0.13 0.00 0.00 32.58 32.67 1rk0 s HIS 263 CO 0.04 -0.52 0.26 0.00 -2.47 0.00 0.00 174.74 172.05 1rk0 n GLN 264 N 1.48 0.46 0.00 2.88 10.64 -1.26 0.12 117.38 131.70 1rk0 n GLN 264 Ca -0.17 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.01 1rk0 n GLN 264 Cb 0.56 -1.20 -0.00 0.00 -0.86 0.00 0.00 30.24 28.75 1rk0 n GLN 264 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1rk0 n GLY 265 N 0.23 -0.11 3.15 2.61 0.00 -1.26 -4.89 105.19 104.93 1rk0 n GLY 265 Ca 0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1rk0 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rk0 s LEU 266 N -1.17 5.50 0.64 0.99 1.43 0.12 -4.60 118.68 121.58 1rk0 s LEU 266 Ca 0.01 -2.37 0.28 0.00 -1.03 0.00 0.00 54.13 51.02 1rk0 s LEU 266 Cb 0.01 -1.92 1.46 0.00 0.03 0.00 0.00 46.19 45.77 1rk0 s LEU 266 CO 0.02 -0.52 1.85 -0.65 0.23 0.00 0.00 176.35 177.28 1rk0 h PRO 267 N 7.75 0.00 -3.06 1.29 0.11 -1.90 -3.35 132.00 132.84 1rk0 h PRO 267 Ca -0.09 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.79 1rk0 h PRO 267 Cb 1.02 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.81 1rk0 h PRO 267 CO 0.75 0.00 -0.56 -1.21 -0.21 0.00 0.00 178.00 176.78 1rk0 s GLU 268 N -4.29 0.13 0.55 1.05 2.02 -1.26 -5.14 118.70 111.76 1rk0 s GLU 268 Ca -0.03 0.55 -0.20 0.00 0.02 0.00 0.00 54.97 55.30 1rk0 s GLU 268 Cb 0.11 -0.15 -0.06 0.00 0.10 0.00 0.00 34.13 34.13 1rk0 s GLU 268 CO 0.36 -0.22 1.09 -0.35 0.02 0.00 0.00 175.26 176.16 1rk0 n PRO 269 N 4.70 1.21 -2.06 0.39 -0.04 -1.26 -4.97 135.00 132.97 1rk0 n PRO 269 Ca -0.17 0.45 -0.32 0.00 -0.04 0.00 0.00 63.50 63.43 1rk0 n PRO 269 Cb 0.51 -2.26 -0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1rk0 n PRO 269 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1rk0 s LEU 270 N -2.17 3.41 -0.21 1.53 1.43 -0.72 -4.86 118.68 117.09 1rk0 s LEU 270 Ca 0.72 1.57 -0.04 0.00 -1.03 0.00 0.00 54.13 55.36 1rk0 s LEU 270 Cb -0.44 -4.50 0.10 0.00 0.03 0.00 0.00 46.19 41.38 1rk0 s LEU 270 CO 0.49 -0.89 0.23 -0.89 0.23 0.00 0.00 176.35 175.53 1rk0 s THR 271 N -2.83 -0.33 0.25 5.49 2.01 -1.25 -2.10 115.64 116.89 1rk0 s THR 271 Ca 0.58 -0.17 0.09 0.00 0.31 0.00 0.00 61.69 62.50 1rk0 s THR 271 Cb -0.12 -0.72 -0.05 0.00 0.01 0.00 0.00 72.50 71.62 1rk0 s THR 271 CO 0.42 -0.24 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.20 1rk0 s LEU 272 N 2.33 2.57 0.36 4.42 1.02 -0.22 -4.89 118.68 124.27 1rk0 s LEU 272 Ca 0.07 -1.06 0.07 0.00 0.02 0.00 0.00 54.13 53.23 1rk0 s LEU 272 Cb -0.16 -0.82 -0.03 0.00 0.02 0.00 0.00 46.19 45.21 1rk0 s LEU 272 CO -0.15 -0.13 0.24 0.00 0.02 0.00 0.00 176.35 176.34 1rk0 s ARG 273 N -3.61 1.84 0.00 1.70 1.70 -1.26 0.17 118.95 119.49 1rk0 s ARG 273 Ca 0.26 -2.09 0.29 0.00 -0.47 0.00 0.00 55.73 53.72 1rk0 s ARG 273 Cb -0.01 0.06 1.21 0.00 -0.57 0.00 0.00 34.95 35.63 1rk0 s ARG 273 CO 0.11 -0.62 1.83 1.87 -1.08 0.00 0.00 175.30 177.41