#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrk n LYS 3 N 0.00 2.76 -1.68 0.54 5.02 -1.26 -4.89 118.16 118.65 2wrk n LYS 3 Ca 0.00 0.98 -0.40 0.00 -2.02 0.00 0.00 58.31 56.87 2wrk n LYS 3 Cb 0.00 -2.79 0.02 0.00 -0.02 0.00 0.00 35.03 32.24 2wrk n LYS 3 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2wrk n LYS 4 N 2.45 1.70 -3.75 1.97 3.00 -1.26 -4.64 118.16 117.62 2wrk n LYS 4 Ca 0.10 0.61 -0.30 0.00 -0.00 0.00 0.00 58.31 58.72 2wrk n LYS 4 Cb 0.37 -2.33 -0.14 0.00 0.00 0.00 0.00 35.03 32.93 2wrk n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2wrk s VAL 5 N -1.25 1.17 0.59 3.15 1.01 -1.26 -1.05 120.40 122.75 2wrk s VAL 5 Ca 0.64 -1.88 -0.00 0.00 0.00 0.00 0.00 61.98 60.74 2wrk s VAL 5 Cb -0.49 -1.86 0.04 0.00 0.00 0.00 0.00 36.38 34.07 2wrk s VAL 5 CO 0.56 -0.75 0.83 -0.76 0.00 0.00 0.00 175.10 174.98 2wrk s LEU 6 N 1.12 3.17 -0.13 3.92 1.43 0.12 -4.89 118.68 123.42 2wrk s LEU 6 Ca 0.13 0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.23 2wrk s LEU 6 Cb -0.20 -2.88 0.06 0.00 0.03 0.00 0.00 46.19 43.20 2wrk s LEU 6 CO -0.15 -1.26 0.29 0.42 0.23 0.00 0.00 176.35 175.89 2wrk s THR 7 N -2.87 -0.24 0.00 5.49 -4.23 -1.26 0.09 115.64 112.61 2wrk s THR 7 Ca 0.58 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.29 2wrk s THR 7 Cb -0.10 -0.46 0.00 0.00 1.34 0.00 0.00 72.50 73.27 2wrk s THR 7 CO 0.40 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 175.17 2wrk n GLY 8 N 4.79 3.79 3.34 3.99 0.00 -1.16 -4.73 105.19 115.21 2wrk n GLY 8 Ca -0.16 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 2wrk n GLY 8 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wrk s VAL 9 N -2.22 2.16 -0.16 1.61 -7.23 -0.05 0.01 120.40 114.51 2wrk s VAL 9 Ca 0.00 -1.31 -0.29 0.00 -1.81 0.00 0.00 61.98 58.57 2wrk s VAL 9 Cb 0.00 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 35.11 2wrk s VAL 9 CO 0.00 0.42 1.14 -0.69 -0.31 0.00 0.00 175.10 175.66 2wrk s VAL 10 N -0.77 4.49 -0.02 1.32 1.01 -1.07 0.23 120.40 125.59 2wrk s VAL 10 Ca 0.11 1.79 0.00 0.00 0.00 0.00 0.00 61.98 63.89 2wrk s VAL 10 Cb -0.10 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2wrk s VAL 10 CO 0.01 -0.11 0.35 1.33 0.00 0.00 0.00 175.10 176.69 2wrk n VAL 11 N 5.13 0.00 -4.04 2.92 0.24 0.03 -1.53 118.33 121.08 2wrk n VAL 11 Ca 0.12 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.34 61.83 2wrk n VAL 11 Cb 0.46 1.00 -0.09 0.00 -1.47 0.00 0.00 33.84 33.75 2wrk n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2wrk s SER 12 N -0.33 0.21 0.00 -1.34 0.15 -1.23 -4.95 113.70 106.21 2wrk s SER 12 Ca 0.00 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.66 2wrk s SER 12 Cb 0.00 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2wrk s SER 12 CO 0.00 -0.77 0.00 -0.90 1.20 0.00 0.00 173.24 172.77 2wrk n ASP 13 N -0.11 0.00 0.19 5.45 5.75 -1.26 -3.04 116.55 123.53 2wrk n ASP 13 Ca -0.08 -0.03 0.05 0.00 -0.01 0.00 0.00 54.79 54.72 2wrk n ASP 13 Cb 0.63 0.00 0.39 0.00 -1.03 0.00 0.00 41.12 41.11 2wrk n ASP 13 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2wrk h LYS 14 N 0.00 0.00 -7.45 0.11 1.57 -1.96 -3.45 116.57 105.39 2wrk h LYS 14 Ca 0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 2wrk h LYS 14 Cb 0.03 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.49 2wrk h LYS 14 CO 0.00 0.36 0.24 -1.64 -0.57 0.00 0.00 179.45 177.84 2wrk s MET 15 N -3.91 0.51 -0.19 3.15 -1.94 -1.26 -5.02 119.30 110.65 2wrk s MET 15 Ca -0.02 0.27 -0.16 0.00 -1.71 0.00 0.00 55.69 54.07 2wrk s MET 15 Cb 0.13 -1.77 -0.04 0.00 2.01 0.00 0.00 34.83 35.16 2wrk s MET 15 CO 0.69 -2.62 0.42 -0.65 -0.01 0.00 0.00 175.02 172.85 2wrk s GLN 16 N -5.22 4.19 -1.40 2.03 -0.21 -1.26 -4.11 119.66 113.67 2wrk s GLN 16 Ca 0.66 0.25 0.00 0.00 0.02 0.00 0.00 55.36 56.29 2wrk s GLN 16 Cb -0.15 -3.53 0.00 0.00 1.00 0.00 0.00 33.01 30.33 2wrk s GLN 16 CO 0.55 -0.04 0.00 1.63 -2.12 0.00 0.00 175.29 175.31 2wrk n LYS 17 N 4.45 -1.53 -3.89 2.91 5.02 -1.26 -4.94 118.16 118.92 2wrk n LYS 17 Ca -0.08 0.96 -0.12 0.00 -2.02 0.00 0.00 58.31 57.05 2wrk n LYS 17 Cb 0.51 -5.31 -0.14 0.00 -0.02 0.00 0.00 35.03 30.08 2wrk n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2wrk s THR 18 N -2.19 0.02 0.01 -0.18 2.01 -1.26 -1.27 115.64 112.78 2wrk s THR 18 Ca 0.00 -0.13 0.03 0.00 0.31 0.00 0.00 61.69 61.90 2wrk s THR 18 Cb 0.00 -0.05 -0.01 0.00 0.01 0.00 0.00 72.50 72.45 2wrk s THR 18 CO 0.00 -0.07 -0.10 0.68 -0.69 0.00 0.00 174.62 174.44 2wrk s VAL 19 N -0.20 0.77 -0.36 3.82 -7.23 -1.08 -4.24 120.40 111.87 2wrk s VAL 19 Ca -0.02 -0.59 -0.20 0.00 -1.81 0.00 0.00 61.98 59.36 2wrk s VAL 19 Cb -0.01 -0.68 0.00 0.00 0.56 0.00 0.00 36.38 36.25 2wrk s VAL 19 CO -0.00 0.09 0.59 -0.89 -0.31 0.00 0.00 175.10 174.58 2wrk s THR 20 N -0.47 4.93 -0.19 5.32 2.01 -1.17 -1.96 115.64 124.10 2wrk s THR 20 Ca 0.02 0.46 -0.08 0.00 0.31 0.00 0.00 61.69 62.40 2wrk s THR 20 Cb -0.05 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 2wrk s THR 20 CO 0.00 -0.30 0.08 -0.69 -0.69 0.00 0.00 174.62 173.02 2wrk s VAL 21 N 2.60 4.85 -0.20 3.82 1.01 -0.45 -0.79 120.40 131.24 2wrk s VAL 21 Ca 0.22 -0.01 -0.09 0.00 0.00 0.00 0.00 61.98 62.10 2wrk s VAL 21 Cb -0.15 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 2wrk s VAL 21 CO 0.15 0.44 0.11 -0.22 0.00 0.00 0.00 175.10 175.57 2wrk s LEU 22 N 0.51 4.06 -0.06 3.92 2.96 0.14 -1.03 118.68 129.18 2wrk s LEU 22 Ca 0.04 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 2wrk s LEU 22 Cb -0.13 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.52 2wrk s LEU 22 CO 0.01 0.17 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.36 2wrk s VAL 23 N 0.42 1.37 0.00 1.68 1.01 -0.05 -0.88 120.40 123.96 2wrk s VAL 23 Ca 0.06 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2wrk s VAL 23 Cb -0.12 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.05 2wrk s VAL 23 CO -0.01 0.40 0.00 -0.62 0.00 0.00 0.00 175.10 174.88 2wrk n GLU 24 N 3.50 0.70 0.00 2.72 1.02 -1.26 -1.09 120.64 126.23 2wrk n GLU 24 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 2wrk n GLU 24 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 2wrk n GLU 24 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2wrk n ARG 25 N -0.95 0.00 -4.39 3.49 1.85 -0.92 -4.88 116.66 110.86 2wrk n ARG 25 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.56 2wrk n ARG 25 Cb 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.28 2wrk n ARG 25 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2wrk s GLN 26 N -1.15 1.54 0.09 2.89 -0.21 -1.26 -2.49 119.66 119.07 2wrk s GLN 26 Ca 0.00 -1.28 -0.26 0.00 0.02 0.00 0.00 55.36 53.84 2wrk s GLN 26 Cb 0.00 -1.97 0.07 0.00 1.00 0.00 0.00 33.01 32.11 2wrk s GLN 26 CO 0.00 0.46 0.63 -0.59 -2.12 0.00 0.00 175.29 173.67 2wrk s PHE 27 N -1.07 -0.58 0.05 0.91 -0.12 -0.48 -4.97 117.98 111.73 2wrk s PHE 27 Ca 0.15 0.59 -0.31 0.00 -0.05 0.00 0.00 56.93 57.31 2wrk s PHE 27 Cb -0.10 0.51 -0.06 0.00 -0.63 0.00 0.00 43.02 42.74 2wrk s PHE 27 CO 0.07 -0.77 1.24 -2.14 -0.05 0.00 0.00 175.22 173.57 2wrk s PRO 28 N -2.93 4.40 0.16 1.99 0.02 -1.26 -0.77 135.00 136.62 2wrk s PRO 28 Ca -0.03 1.82 -0.32 0.00 0.02 0.00 0.00 61.00 62.49 2wrk s PRO 28 Cb -0.01 -3.37 -0.10 0.00 0.02 0.00 0.00 34.50 31.04 2wrk s PRO 28 CO -0.06 -0.32 1.66 -1.58 -0.33 0.00 0.00 177.00 176.37 2wrk s HIS 29 N 1.25 2.83 0.55 6.54 2.46 0.55 -4.81 115.29 124.67 2wrk s HIS 29 Ca 0.60 0.42 0.31 0.00 0.47 0.00 0.00 55.06 56.86 2wrk s HIS 29 Cb -0.30 -4.03 1.47 0.00 -0.13 0.00 0.00 32.58 29.59 2wrk s HIS 29 CO 0.28 -3.93 1.87 -1.00 -2.47 0.00 0.00 174.74 169.49 2wrk h PRO 30 N 7.19 0.00 0.00 2.88 0.13 -1.92 0.37 132.00 140.65 2wrk h PRO 30 Ca -0.43 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.61 2wrk h PRO 30 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2wrk h PRO 30 CO 0.93 0.00 -1.34 -0.11 -0.23 0.00 0.00 178.00 177.25 2wrk n LEU 31 N -4.09 0.00 -0.00 1.56 7.94 -1.26 -4.76 117.00 116.38 2wrk n LEU 31 Ca 0.17 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 55.13 2wrk n LEU 31 Cb 0.93 0.12 -0.08 0.00 0.53 0.00 0.00 43.42 44.92 2wrk n LEU 31 CO 0.36 0.12 -0.09 -1.22 -1.11 0.00 0.00 177.39 175.45 2wrk n TYR 32 N -2.18 0.00 0.00 1.96 4.02 -1.18 -5.02 117.16 114.75 2wrk n TYR 32 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 2wrk n TYR 32 Cb 0.66 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.95 2wrk n TYR 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wrk n GLY 33 N 1.35 1.01 3.19 2.72 0.00 0.13 -4.88 105.19 108.71 2wrk n GLY 33 Ca 0.02 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.56 2wrk n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wrk n LYS 34 N 0.00 0.00 -2.68 1.61 4.81 -1.26 -3.19 118.16 117.44 2wrk n LYS 34 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 2wrk n LYS 34 Cb 0.00 -1.10 -0.03 0.00 0.02 0.00 0.00 35.03 33.92 2wrk n LYS 34 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2wrk s VAL 35 N -0.59 3.99 0.31 3.15 -7.23 -1.26 -0.33 120.40 118.44 2wrk s VAL 35 Ca 0.69 0.12 0.06 0.00 -1.81 0.00 0.00 61.98 61.03 2wrk s VAL 35 Cb -0.98 -4.81 -0.02 0.00 0.56 0.00 0.00 36.38 31.13 2wrk s VAL 35 CO 0.52 -1.67 0.45 0.27 -0.31 0.00 0.00 175.10 174.37 2wrk s ILE 36 N 5.01 4.44 0.44 -0.62 -4.36 0.05 -4.82 121.20 121.34 2wrk s ILE 36 Ca 0.30 -0.96 0.07 0.00 -0.26 0.00 0.00 60.65 59.81 2wrk s ILE 36 Cb -0.12 -3.55 -0.01 0.00 1.25 0.00 0.00 42.46 40.03 2wrk s ILE 36 CO 0.13 -0.23 0.40 -0.75 0.24 0.00 0.00 174.94 174.74 2wrk s LYS 37 N -4.14 2.48 -0.30 0.37 2.20 -1.26 -1.38 119.74 117.71 2wrk s LYS 37 Ca 0.42 -1.61 -0.27 0.00 -0.36 0.00 0.00 55.97 54.15 2wrk s LYS 37 Cb -0.09 -2.35 0.20 0.00 -1.51 0.00 0.00 37.83 34.07 2wrk s LYS 37 CO 0.31 -0.28 1.43 0.50 -0.36 0.00 0.00 175.35 176.95 2wrk s ARG 38 N -4.17 0.03 0.09 4.03 6.06 -1.04 -4.98 118.95 118.97 2wrk s ARG 38 Ca 0.47 0.02 0.04 0.00 -2.50 0.00 0.00 55.73 53.76 2wrk s ARG 38 Cb -0.03 0.01 -0.03 0.00 0.06 0.00 0.00 34.95 34.96 2wrk s ARG 38 CO 0.27 -0.01 -0.12 -1.54 -2.50 0.00 0.00 175.30 171.41 2wrk s SER 39 N -0.51 1.54 0.00 -2.12 1.04 -1.26 -2.15 113.70 110.24 2wrk s SER 39 Ca 0.09 -0.73 0.02 0.00 0.48 0.00 0.00 55.95 55.80 2wrk s SER 39 Cb -0.03 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.07 2wrk s SER 39 CO -0.12 -0.18 -0.05 -0.75 0.98 0.00 0.00 173.24 173.11 2wrk s LYS 40 N -2.34 0.41 -0.18 4.02 2.20 -0.25 -4.99 119.74 118.61 2wrk s LYS 40 Ca 0.02 -0.28 -0.07 0.00 -0.36 0.00 0.00 55.97 55.29 2wrk s LYS 40 Cb -0.06 -0.35 -0.04 0.00 -1.51 0.00 0.00 37.83 35.87 2wrk s LYS 40 CO 0.01 0.09 0.04 0.15 -0.36 0.00 0.00 175.35 175.28 2wrk s LYS 41 N -0.39 3.91 0.08 4.03 1.02 -1.26 -0.87 119.74 126.26 2wrk s LYS 41 Ca -0.01 -0.38 0.09 0.00 0.02 0.00 0.00 55.97 55.69 2wrk s LYS 41 Cb -0.03 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 34.10 2wrk s LYS 41 CO -0.00 0.27 -0.21 0.71 -0.92 0.00 0.00 175.35 175.20 2wrk s TYR 42 N 0.36 2.47 -0.52 3.18 1.51 -0.20 -4.96 117.35 119.18 2wrk s TYR 42 Ca 0.01 -0.30 -0.18 0.00 -1.01 0.00 0.00 57.07 55.59 2wrk s TYR 42 Cb -0.13 -1.38 0.08 0.00 -0.11 0.00 0.00 41.96 40.42 2wrk s TYR 42 CO 0.01 0.29 0.57 -0.51 -1.11 0.00 0.00 175.55 174.80 2wrk s LEU 43 N -1.71 5.39 0.38 -1.29 1.43 -1.26 -1.34 118.68 120.27 2wrk s LEU 43 Ca 0.15 -1.26 -0.09 0.00 -1.03 0.00 0.00 54.13 51.90 2wrk s LEU 43 Cb -0.10 -2.31 -0.06 0.00 0.03 0.00 0.00 46.19 43.74 2wrk s LEU 43 CO 0.06 -0.89 0.71 0.00 0.23 0.00 0.00 176.35 176.47 2wrk s ALA 44 N 2.27 3.42 -0.11 4.21 0.00 -0.83 -3.70 121.76 127.02 2wrk s ALA 44 Ca 0.10 -0.29 -0.11 0.00 0.00 0.00 0.00 51.96 51.66 2wrk s ALA 44 Cb -0.23 -2.60 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 2wrk s ALA 44 CO 0.08 0.06 0.23 -1.58 0.00 0.00 0.00 175.76 174.55 2wrk s HIS 45 N -2.30 3.57 -0.31 0.00 2.46 0.79 -2.63 115.29 116.88 2wrk s HIS 45 Ca 0.49 0.62 -0.01 0.00 0.47 0.00 0.00 55.06 56.63 2wrk s HIS 45 Cb -0.10 -2.14 0.13 0.00 -0.13 0.00 0.00 32.58 30.34 2wrk s HIS 45 CO 0.31 0.54 0.23 0.34 -2.47 0.00 0.00 174.74 173.70 2wrk s ASP 46 N -0.51 2.45 0.15 9.88 3.68 -0.40 -1.96 116.67 129.96 2wrk s ASP 46 Ca 0.16 -1.25 -0.12 0.00 2.13 0.00 0.00 52.55 53.47 2wrk s ASP 46 Cb -0.13 0.08 0.02 0.00 -1.45 0.00 0.00 42.92 41.44 2wrk s ASP 46 CO 0.05 -0.38 1.60 1.55 0.13 0.00 0.00 175.17 178.12 2wrk h PRO 47 N 7.99 0.90 -1.14 4.34 0.13 -1.97 -3.10 132.00 139.15 2wrk h PRO 47 Ca -0.11 -0.30 -0.50 0.00 -0.87 0.00 0.00 66.00 64.23 2wrk h PRO 47 Cb 1.03 -0.08 -0.24 0.00 0.13 0.00 0.00 31.00 31.85 2wrk h PRO 47 CO 0.35 0.94 0.64 0.39 -0.23 0.00 0.00 178.00 180.09 2wrk n GLU 48 N -4.29 2.23 -2.35 0.86 4.71 -1.26 -4.84 120.64 115.69 2wrk n GLU 48 Ca 0.01 -2.54 0.00 0.00 -0.01 0.00 0.00 57.16 54.62 2wrk n GLU 48 Cb 0.33 -2.00 0.00 0.00 -1.01 0.00 0.00 31.44 28.77 2wrk n GLU 48 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2wrk n GLU 49 N -0.55 -0.76 -0.46 3.49 -0.58 -1.17 -4.65 120.64 115.96 2wrk n GLU 49 Ca 0.49 -0.23 0.08 0.00 -0.42 0.00 0.00 57.16 57.09 2wrk n GLU 49 Cb 0.90 0.41 0.28 0.00 -0.57 0.00 0.00 31.44 32.47 2wrk n GLU 49 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2wrk n LYS 50 N -0.70 3.32 -4.44 3.49 2.85 -1.26 -4.88 118.16 116.54 2wrk n LYS 50 Ca 0.00 -2.66 -0.31 0.00 -1.05 0.00 0.00 58.31 54.29 2wrk n LYS 50 Cb 0.00 -1.71 -0.16 0.00 -0.65 0.00 0.00 35.03 32.51 2wrk n LYS 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2wrk s TYR 51 N -1.79 2.49 0.27 5.58 1.51 -1.26 -5.13 117.35 119.02 2wrk s TYR 51 Ca 0.42 -1.31 0.03 0.00 -1.01 0.00 0.00 57.07 55.20 2wrk s TYR 51 Cb 0.27 -1.73 0.05 0.00 -0.11 0.00 0.00 41.96 40.44 2wrk s TYR 51 CO 0.20 -0.63 0.37 0.36 -1.11 0.00 0.00 175.55 174.73 2wrk n LYS 52 N 4.29 0.70 -2.74 -0.62 0.00 -1.26 -4.98 118.16 113.54 2wrk n LYS 52 Ca -0.20 -1.30 -0.42 0.00 -0.00 0.00 0.00 58.31 56.40 2wrk n LYS 52 Cb 0.51 -0.15 -0.03 0.00 -0.00 0.00 0.00 35.03 35.36 2wrk n LYS 52 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2wrk s LEU 53 N 0.00 4.32 0.00 -5.58 0.20 -1.26 -3.97 118.68 112.39 2wrk s LEU 53 Ca 0.27 1.57 0.00 0.00 0.69 0.00 0.00 54.13 56.65 2wrk s LEU 53 Cb -0.02 -3.51 0.00 0.00 -0.43 0.00 0.00 46.19 42.23 2wrk s LEU 53 CO 0.17 -0.31 0.00 0.61 -0.29 0.00 0.00 176.35 176.54 2wrk n GLY 54 N 2.99 1.08 3.08 7.98 0.00 -0.58 -4.82 105.19 114.91 2wrk n GLY 54 Ca 0.06 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 2wrk n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wrk s ASP 55 N -2.38 2.92 -0.25 1.61 1.11 -1.25 -1.05 116.67 117.38 2wrk s ASP 55 Ca 0.00 -0.57 -0.29 0.00 0.18 0.00 0.00 52.55 51.87 2wrk s ASP 55 Cb 0.00 -1.34 0.01 0.00 1.07 0.00 0.00 42.92 42.66 2wrk s ASP 55 CO 0.00 -0.02 1.05 -0.69 1.18 0.00 0.00 175.17 176.69 2wrk s VAL 56 N 1.32 4.64 0.00 -1.27 1.01 -0.29 -2.60 120.40 123.21 2wrk s VAL 56 Ca 0.04 1.95 0.00 0.00 0.00 0.00 0.00 61.98 63.96 2wrk s VAL 56 Cb -0.13 -4.34 0.00 0.00 0.00 0.00 0.00 36.38 31.91 2wrk s VAL 56 CO -0.11 -0.26 0.00 1.33 0.00 0.00 0.00 175.10 176.06 2wrk n VAL 57 N 5.47 0.00 -3.73 2.92 0.24 0.10 -0.05 118.33 123.28 2wrk n VAL 57 Ca 0.12 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.25 2wrk n VAL 57 Cb 0.46 -0.06 -0.17 0.00 -1.47 0.00 0.00 33.84 32.60 2wrk n VAL 57 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2wrk s GLU 58 N 1.64 -0.05 -0.12 7.34 2.02 -0.72 -3.00 118.70 125.81 2wrk s GLU 58 Ca 0.00 0.27 -0.06 0.00 0.02 0.00 0.00 54.97 55.20 2wrk s GLU 58 Cb 0.00 -0.35 -0.04 0.00 0.10 0.00 0.00 34.13 33.84 2wrk s GLU 58 CO 0.00 -0.23 0.10 0.42 0.02 0.00 0.00 175.26 175.57 2wrk s ILE 59 N 1.52 5.18 -0.02 -1.63 -1.09 0.11 0.36 121.20 125.63 2wrk s ILE 59 Ca -0.03 0.09 0.05 0.00 -2.23 0.00 0.00 60.65 58.52 2wrk s ILE 59 Cb -0.13 -3.25 -0.01 0.00 -1.58 0.00 0.00 42.46 37.49 2wrk s ILE 59 CO -0.03 0.60 -0.17 -0.51 -1.23 0.00 0.00 174.94 173.60 2wrk s ILE 60 N -0.88 1.37 0.35 2.92 2.07 -0.67 -0.71 121.20 125.66 2wrk s ILE 60 Ca 0.14 -0.73 -0.27 0.00 -1.41 0.00 0.00 60.65 58.38 2wrk s ILE 60 Cb -0.12 -1.15 -0.12 0.00 0.13 0.00 0.00 42.46 41.19 2wrk s ILE 60 CO 0.03 0.39 1.11 1.21 -1.91 0.00 0.00 174.94 175.78 2wrk n GLU 61 N 2.78 1.64 -4.00 3.50 2.13 -0.22 -1.91 120.64 124.56 2wrk n GLU 61 Ca -0.16 0.58 -0.12 0.00 0.66 0.00 0.00 57.16 58.12 2wrk n GLU 61 Cb 0.54 -2.08 -0.03 0.00 0.27 0.00 0.00 31.44 30.14 2wrk n GLU 61 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2wrk s SER 62 N -0.52 0.46 0.25 4.31 0.01 0.26 -4.74 113.70 113.73 2wrk s SER 62 Ca 0.59 -1.27 -0.30 0.00 1.31 0.00 0.00 55.95 56.28 2wrk s SER 62 Cb -0.61 0.69 -0.09 0.00 0.21 0.00 0.00 66.02 66.22 2wrk s SER 62 CO 0.60 -1.36 1.11 -0.60 0.41 0.00 0.00 173.24 173.40 2wrk s ARG 63 N -3.10 4.61 -0.35 12.44 3.00 -1.26 -4.77 118.95 129.52 2wrk s ARG 63 Ca 0.25 1.80 -0.39 0.00 -1.00 0.00 0.00 55.73 56.39 2wrk s ARG 63 Cb -0.02 -3.21 -0.14 0.00 0.00 0.00 0.00 34.95 31.58 2wrk s ARG 63 CO 0.15 0.15 2.01 -2.30 0.00 0.00 0.00 175.30 175.32 2wrk n PRO 64 N 1.56 0.89 -0.02 5.12 -0.02 -1.26 -4.81 135.00 136.46 2wrk n PRO 64 Ca 0.00 0.28 -0.06 0.00 -2.02 0.00 0.00 63.50 61.71 2wrk n PRO 64 Cb 0.45 -2.14 -0.13 0.00 -0.02 0.00 0.00 33.50 31.67 2wrk n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wrk n ILE 65 N 6.08 1.40 -3.71 4.25 5.41 -1.19 -5.02 119.36 126.59 2wrk n ILE 65 Ca 0.38 -0.77 0.02 0.00 1.00 0.00 0.00 62.75 63.39 2wrk n ILE 65 Cb 0.14 -0.83 0.00 0.00 -0.71 0.00 0.00 39.64 38.24 2wrk n ILE 65 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2wrk s SER 66 N -5.86 -0.03 0.67 4.38 1.04 -1.20 -5.00 113.70 107.71 2wrk s SER 66 Ca -0.05 -0.12 -0.17 0.00 0.48 0.00 0.00 55.95 56.09 2wrk s SER 66 Cb 0.08 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 2wrk s SER 66 CO 0.82 -0.22 0.71 1.17 0.98 0.00 0.00 173.24 176.70 2wrk n LYS 67 N -0.61 0.49 0.00 4.02 4.81 -1.26 -1.76 118.16 123.85 2wrk n LYS 67 Ca -0.05 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 2wrk n LYS 67 Cb 0.62 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.71 2wrk n LYS 67 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2wrk n ARG 68 N -0.93 0.00 -2.47 1.64 1.74 -1.26 -4.84 116.66 110.54 2wrk n ARG 68 Ca 0.12 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.77 2wrk n ARG 68 Cb 0.49 -0.15 -0.03 0.00 -1.02 0.00 0.00 32.46 31.76 2wrk n ARG 68 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2wrk s LYS 69 N 0.00 4.38 0.00 5.56 1.02 -0.72 -4.44 119.74 125.54 2wrk s LYS 69 Ca 0.00 1.67 0.00 0.00 0.02 0.00 0.00 55.97 57.66 2wrk s LYS 69 Cb 0.00 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 2wrk s LYS 69 CO 0.00 -0.38 0.00 0.54 -0.92 0.00 0.00 175.35 174.59 2wrk n ARG 70 N 4.84 0.09 -5.13 1.68 3.00 -1.24 -3.14 116.66 116.76 2wrk n ARG 70 Ca 0.10 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.65 2wrk n ARG 70 Cb 0.47 -0.01 -0.16 0.00 0.00 0.00 0.00 32.46 32.76 2wrk n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2wrk s PHE 71 N 0.00 2.17 0.14 -1.55 0.08 -1.26 -0.57 117.98 116.99 2wrk s PHE 71 Ca 0.00 -0.41 0.04 0.00 0.12 0.00 0.00 56.93 56.68 2wrk s PHE 71 Cb 0.00 -1.38 -0.04 0.00 -0.57 0.00 0.00 43.02 41.04 2wrk s PHE 71 CO 0.00 -0.00 0.15 1.03 -0.10 0.00 0.00 175.22 176.29 2wrk s ARG 72 N -0.71 2.98 -0.39 0.44 0.52 -0.80 -0.15 118.95 120.84 2wrk s ARG 72 Ca 0.10 -0.78 -0.29 0.00 -0.52 0.00 0.00 55.73 54.24 2wrk s ARG 72 Cb -0.09 -2.72 -0.00 0.00 0.52 0.00 0.00 34.95 32.66 2wrk s ARG 72 CO -0.00 0.51 1.55 0.08 0.02 0.00 0.00 175.30 177.46 2wrk s VAL 73 N -1.67 3.74 -0.00 3.52 1.01 -0.83 -1.66 120.40 124.51 2wrk s VAL 73 Ca 0.31 0.75 -0.19 0.00 0.00 0.00 0.00 61.98 62.85 2wrk s VAL 73 Cb -0.11 -4.01 -0.11 0.00 0.00 0.00 0.00 36.38 32.16 2wrk s VAL 73 CO 0.24 -0.65 0.89 0.25 0.00 0.00 0.00 175.10 175.83 2wrk h LEU 74 N 12.79 -0.59 -7.35 3.92 7.12 -0.43 -3.49 115.31 127.29 2wrk h LEU 74 Ca -0.30 0.02 0.14 0.00 0.13 0.00 0.00 57.88 57.87 2wrk h LEU 74 Cb 1.13 0.15 -0.11 0.00 -0.53 0.00 0.00 40.66 41.30 2wrk h LEU 74 CO 1.07 -0.25 0.47 0.00 -0.13 0.00 0.00 178.44 179.60 2wrk s ARG 75 N -3.90 1.04 -0.10 1.25 1.70 -1.25 -5.00 118.95 112.70 2wrk s ARG 75 Ca -0.10 -0.50 -0.21 0.00 -0.47 0.00 0.00 55.73 54.45 2wrk s ARG 75 Cb 0.01 0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 34.76 2wrk s ARG 75 CO 0.30 -0.47 0.58 -1.17 -1.08 0.00 0.00 175.30 173.46 2wrk s LEU 76 N -2.74 4.29 0.00 -1.89 2.96 -1.26 -1.76 118.68 118.29 2wrk s LEU 76 Ca 0.09 0.98 0.00 0.00 -0.22 0.00 0.00 54.13 54.98 2wrk s LEU 76 Cb -0.01 -2.87 0.00 0.00 0.50 0.00 0.00 46.19 43.81 2wrk s LEU 76 CO -0.03 -0.05 0.00 0.52 -1.32 0.00 0.00 176.35 175.46 2wrk n VAL 77 N 3.73 0.00 -4.88 1.68 0.31 0.93 -4.97 118.33 115.12 2wrk n VAL 77 Ca -0.04 0.04 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 2wrk n VAL 77 Cb 0.51 -0.39 -0.15 0.00 -0.91 0.00 0.00 33.84 32.90 2wrk n VAL 77 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2wrk s GLU 78 N -0.07 1.58 -0.08 5.55 -1.05 -0.98 -5.00 118.70 118.64 2wrk s GLU 78 Ca 0.00 -0.82 -0.05 0.00 -0.15 0.00 0.00 54.97 53.94 2wrk s GLU 78 Cb 0.00 -1.59 -0.04 0.00 -0.44 0.00 0.00 34.13 32.06 2wrk s GLU 78 CO 0.00 0.43 0.15 0.45 0.95 0.00 0.00 175.26 177.24 2wrk s SER 79 N -0.75 6.37 0.00 0.83 0.15 -1.26 -1.13 113.70 117.90 2wrk s SER 79 Ca 0.08 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.15 2wrk s SER 79 Cb -0.08 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 2wrk s SER 79 CO 0.00 0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.41 2wrk n GLY 80 N 1.62 -1.97 2.70 9.45 0.00 -0.42 -4.98 105.19 111.60 2wrk n GLY 80 Ca -0.17 -0.46 -0.05 0.00 0.00 0.00 0.00 46.02 45.34 2wrk n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrk n ARG 81 N 0.14 1.30 0.30 1.61 5.12 -0.21 -4.93 116.66 119.98 2wrk n ARG 81 Ca 0.00 -2.25 0.14 0.00 -1.93 0.00 0.00 57.85 53.81 2wrk n ARG 81 Cb 0.00 -0.43 0.77 0.00 -1.16 0.00 0.00 32.46 31.64 2wrk n ARG 81 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 2wrk h MET 82 N 2.09 0.00 0.00 5.56 2.86 -1.90 0.19 114.93 123.73 2wrk h MET 82 Ca -0.26 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.35 2wrk h MET 82 Cb 1.27 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 2wrk h MET 82 CO 0.07 0.00 -0.14 0.38 1.06 0.00 0.00 176.91 178.28 2wrk h ASP 83 N 0.00 0.00 0.16 1.22 2.03 -1.97 -0.93 116.42 116.93 2wrk h ASP 83 Ca 0.00 0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 55.97 2wrk h ASP 83 Cb 0.54 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.05 2wrk h ASP 83 CO 0.00 0.14 -1.66 -0.07 -1.03 0.00 0.00 179.24 176.62 2wrk h LEU 84 N 0.00 0.52 -1.56 0.15 3.38 -1.05 -3.13 115.31 113.62 2wrk h LEU 84 Ca -0.00 -0.91 0.05 0.00 0.09 0.00 0.00 57.88 57.11 2wrk h LEU 84 Cb 0.29 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2wrk h LEU 84 CO 0.02 1.74 0.36 0.58 0.09 0.00 0.00 178.44 181.23 2wrk h VAL 85 N -0.04 1.01 -0.06 1.22 2.07 -1.40 -1.52 116.25 117.54 2wrk h VAL 85 Ca -0.34 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 2wrk h VAL 85 Cb 1.98 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2wrk h VAL 85 CO 0.13 0.10 -0.08 -0.33 0.02 0.00 0.00 177.57 177.41 2wrk h GLU 86 N 0.55 0.16 -0.99 1.57 4.39 -1.29 0.36 114.58 119.32 2wrk h GLU 86 Ca 0.23 -0.09 0.23 0.00 0.34 0.00 0.00 59.36 60.08 2wrk h GLU 86 Cb 0.22 0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 28.75 2wrk h GLU 86 CO -0.06 0.63 0.58 0.87 -1.16 0.00 0.00 179.01 179.87 2wrk h LYS 87 N -0.30 0.58 0.00 2.33 1.79 -1.31 0.77 116.57 120.43 2wrk h LYS 87 Ca 0.01 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2wrk h LYS 87 Cb 0.61 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2wrk h LYS 87 CO 0.02 0.38 0.00 0.98 -1.08 0.00 0.00 179.45 179.75 2wrk n TYR 88 N -4.88 0.00 -0.17 -1.35 9.36 -0.64 -2.75 117.16 116.73 2wrk n TYR 88 Ca 0.26 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.57 2wrk n TYR 88 Cb 0.71 -0.09 0.17 0.00 -0.63 0.00 0.00 39.34 39.49 2wrk n TYR 88 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2wrk n LEU 89 N -0.78 -0.02 -0.15 2.98 4.77 0.12 0.15 117.00 124.08 2wrk n LEU 89 Ca 0.00 0.82 -0.11 0.00 -0.03 0.00 0.00 56.01 56.69 2wrk n LEU 89 Cb 0.00 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 40.77 2wrk n LEU 89 CO 0.00 -0.85 0.70 0.40 -1.33 0.00 0.00 177.39 176.32 2wrk h ILE 90 N 0.00 1.27 0.00 -0.08 1.08 0.44 -1.36 117.51 118.86 2wrk h ILE 90 Ca 0.31 -1.27 0.00 0.00 -0.39 0.00 0.00 64.86 63.52 2wrk h ILE 90 Cb 0.69 1.17 0.00 0.00 -3.07 0.00 0.00 36.82 35.61 2wrk h ILE 90 CO -0.44 0.43 0.00 -0.09 -0.69 0.00 0.00 178.15 177.36 2wrk h ARG 91 N 0.71 0.00 0.01 2.37 2.43 0.16 -1.99 114.38 118.06 2wrk h ARG 91 Ca 0.11 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.96 2wrk h ARG 91 Cb 0.69 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.19 2wrk h ARG 91 CO 0.05 0.00 -1.88 -2.13 -1.51 0.00 0.00 179.97 174.50 2wrk n ARG 92 N -2.37 0.65 -0.17 0.20 0.63 -0.94 -4.09 116.66 110.58 2wrk n ARG 92 Ca 0.01 0.23 -0.09 0.00 -0.92 0.00 0.00 57.85 57.09 2wrk n ARG 92 Cb 0.19 -1.73 0.01 0.00 0.45 0.00 0.00 32.46 31.38 2wrk n ARG 92 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2wrk h GLN 93 N 0.01 0.73 -0.44 -0.14 4.15 -0.51 -3.03 115.11 115.87 2wrk h GLN 93 Ca -0.35 -0.14 0.09 0.00 0.77 0.00 0.00 58.65 59.01 2wrk h GLN 93 Cb 2.06 -0.11 -0.09 0.00 0.21 0.00 0.00 27.48 29.54 2wrk h GLN 93 CO 0.07 0.67 -0.24 -0.91 -1.93 0.00 0.00 178.83 176.48 2wrk h ASN 94 N 0.64 -0.83 -0.34 -0.69 2.35 -1.62 -2.47 115.58 112.62 2wrk h ASN 94 Ca 0.16 0.18 0.13 0.00 -0.55 0.00 0.00 56.30 56.21 2wrk h ASN 94 Cb 0.23 0.43 -0.06 0.00 0.05 0.00 0.00 38.32 38.96 2wrk h ASN 94 CO -0.01 -0.26 0.13 -1.22 -1.65 0.00 0.00 177.43 174.41 2wrk n TYR 95 N -5.40 0.34 -0.13 1.19 4.01 -1.14 0.58 117.16 116.60 2wrk n TYR 95 Ca 0.03 0.40 0.28 0.00 -0.16 0.00 0.00 57.90 58.45 2wrk n TYR 95 Cb 0.32 -0.83 0.71 0.00 -0.31 0.00 0.00 39.34 39.22 2wrk n TYR 95 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2wrk h GLU 96 N 0.00 0.00 -0.87 -0.72 5.08 -1.64 -1.75 114.58 114.69 2wrk h GLU 96 Ca 0.26 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 58.14 2wrk h GLU 96 Cb 0.65 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.63 2wrk h GLU 96 CO -0.28 0.00 0.50 -1.13 -1.00 0.00 0.00 179.01 177.10 2wrk n SER 97 N -3.92 4.24 0.00 1.42 3.41 0.20 -4.05 113.62 114.92 2wrk n SER 97 Ca 0.17 -3.68 0.00 0.00 -0.26 0.00 0.00 58.87 55.10 2wrk n SER 97 Cb 1.00 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2wrk n SER 97 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wrk n LEU 98 N -1.09 0.43 0.00 1.04 4.77 -0.66 -5.05 117.00 116.44 2wrk n LEU 98 Ca 0.55 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2wrk n LEU 98 Cb 1.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.44 2wrk n LEU 98 CO 0.55 0.11 0.00 -1.54 -1.33 0.00 0.00 177.39 175.18 2wrk n SER 99 N -0.42 -0.08 -2.80 -1.43 3.41 -1.26 -5.08 113.62 105.97 2wrk n SER 99 Ca 0.00 -0.63 -0.10 0.00 -0.26 0.00 0.00 58.87 57.88 2wrk n SER 99 Cb 0.02 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.02 2wrk n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wrk n LYS 100 N -0.71 0.85 0.00 4.33 5.02 -1.26 -5.16 118.16 121.23 2wrk n LYS 100 Ca 0.00 -1.99 0.00 0.00 -2.02 0.00 0.00 58.31 54.30 2wrk n LYS 100 Cb 0.00 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 2wrk n LYS 100 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75