#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrk n PHE 6 N 0.00 0.00 0.00 2.11 3.01 -1.26 -5.02 117.46 116.30 2wrk n PHE 6 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2wrk n PHE 6 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2wrk n PHE 6 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2wrk n GLU 7 N 0.00 0.00 -2.60 -1.08 4.07 0.32 -4.88 120.64 116.47 2wrk n GLU 7 Ca 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.07 2wrk n GLU 7 Cb 0.00 -0.68 -0.03 0.00 -0.06 0.00 0.00 31.44 30.67 2wrk n GLU 7 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2wrk n GLU 8 N -2.54 -3.79 -4.94 5.31 2.13 -1.25 -4.88 120.64 110.68 2wrk n GLU 8 Ca 0.00 2.87 -0.31 0.00 0.66 0.00 0.00 57.16 60.38 2wrk n GLU 8 Cb 0.39 -3.86 -0.17 0.00 0.27 0.00 0.00 31.44 28.07 2wrk n GLU 8 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2wrk s LYS 9 N -0.48 2.74 -0.26 5.31 2.20 -0.02 -4.94 119.74 124.30 2wrk s LYS 9 Ca -0.16 -0.77 -0.11 0.00 -0.36 0.00 0.00 55.97 54.58 2wrk s LYS 9 Cb 0.01 -2.13 -0.05 0.00 -1.51 0.00 0.00 37.83 34.15 2wrk s LYS 9 CO 0.43 0.10 0.19 1.41 -0.36 0.00 0.00 175.35 177.11 2wrk s MET 10 N 0.54 4.02 0.00 4.03 -2.45 -1.26 -0.05 119.30 124.13 2wrk s MET 10 Ca -0.15 -0.26 0.00 0.00 -1.25 0.00 0.00 55.69 54.03 2wrk s MET 10 Cb -0.17 -3.60 0.00 0.00 1.25 0.00 0.00 34.83 32.31 2wrk s MET 10 CO 0.05 -0.07 0.00 -0.89 1.05 0.00 0.00 175.02 175.16 2wrk n ILE 11 N 4.68 0.00 -3.73 10.11 5.41 -0.82 -4.93 119.36 130.08 2wrk n ILE 11 Ca -0.14 0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.38 2wrk n ILE 11 Cb 0.52 -0.30 -0.03 0.00 -0.71 0.00 0.00 39.64 39.12 2wrk n ILE 11 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 2wrk s LEU 12 N 0.00 3.13 -0.11 1.39 -0.00 -1.20 -4.97 118.68 116.91 2wrk s LEU 12 Ca 0.00 -0.95 -0.10 0.00 -0.00 0.00 0.00 54.13 53.08 2wrk s LEU 12 Cb 0.00 -1.68 0.03 0.00 -0.00 0.00 0.00 46.19 44.54 2wrk s LEU 12 CO 0.00 -0.79 0.30 -0.63 -0.00 0.00 0.00 176.35 175.22 2wrk s ILE 13 N -2.59 -0.01 0.06 1.48 1.01 -1.26 -1.96 121.20 117.93 2wrk s ILE 13 Ca 0.43 0.02 -0.05 0.00 0.00 0.00 0.00 60.65 61.06 2wrk s ILE 13 Cb -0.02 -0.43 -0.02 0.00 0.01 0.00 0.00 42.46 42.01 2wrk s ILE 13 CO 0.25 0.01 0.08 0.00 0.00 0.00 0.00 174.94 175.29 2wrk s ARG 14 N 0.36 0.69 -0.33 2.79 1.70 -1.02 -5.03 118.95 118.11 2wrk s ARG 14 Ca -0.02 -0.99 0.04 0.00 -0.47 0.00 0.00 55.73 54.29 2wrk s ARG 14 Cb -0.03 0.26 0.09 0.00 -0.57 0.00 0.00 34.95 34.70 2wrk s ARG 14 CO -0.01 -0.18 0.03 0.50 -1.08 0.00 0.00 175.30 174.56 2wrk s ARG 15 N -3.53 1.58 0.95 3.89 3.52 -1.26 -2.33 118.95 121.76 2wrk s ARG 15 Ca 0.03 -1.80 -0.15 0.00 -0.13 0.00 0.00 55.73 53.68 2wrk s ARG 15 Cb 0.04 -3.15 0.18 0.00 -1.56 0.00 0.00 34.95 30.46 2wrk s ARG 15 CO -0.09 -0.89 1.26 0.95 -0.81 0.00 0.00 175.30 175.72 2wrk s THR 16 N 0.94 1.97 -0.14 4.11 -4.23 -0.52 -4.88 115.64 112.88 2wrk s THR 16 Ca 0.08 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.33 2wrk s THR 16 Cb -0.19 -2.94 0.07 0.00 1.34 0.00 0.00 72.50 70.77 2wrk s THR 16 CO -0.08 0.00 0.65 0.00 -0.54 0.00 0.00 174.62 174.66 2wrk s ALA 17 N -3.71 -1.66 0.28 3.99 0.00 -1.26 -2.46 121.76 116.93 2wrk s ALA 17 Ca 0.70 1.52 0.12 0.00 0.00 0.00 0.00 51.96 54.30 2wrk s ALA 17 Cb -0.07 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 2wrk s ALA 17 CO 0.52 -0.34 -0.19 -0.98 0.00 0.00 0.00 175.76 174.78 2wrk s ARG 18 N -0.50 1.66 0.10 0.00 1.70 -0.81 -4.97 118.95 116.13 2wrk s ARG 18 Ca -0.06 -1.77 0.04 0.00 -0.47 0.00 0.00 55.73 53.47 2wrk s ARG 18 Cb -0.02 -1.72 -0.04 0.00 -0.57 0.00 0.00 34.95 32.60 2wrk s ARG 18 CO 0.06 0.31 0.05 -1.64 -1.08 0.00 0.00 175.30 173.00 2wrk s MET 19 N -3.53 2.74 -0.29 3.89 -1.94 -1.26 -0.83 119.30 118.08 2wrk s MET 19 Ca 0.30 -0.79 -0.13 0.00 -1.71 0.00 0.00 55.69 53.36 2wrk s MET 19 Cb -0.04 -2.63 0.11 0.00 2.01 0.00 0.00 34.83 34.28 2wrk s MET 19 CO 0.15 0.54 0.68 -1.14 -0.01 0.00 0.00 175.02 175.24 2wrk s GLN 20 N -2.48 0.61 -0.04 2.03 -0.44 -0.78 -4.94 119.66 113.61 2wrk s GLN 20 Ca 0.28 1.33 -0.17 0.00 -2.50 0.00 0.00 55.36 54.30 2wrk s GLN 20 Cb -0.12 0.57 -0.08 0.00 -1.64 0.00 0.00 33.01 31.75 2wrk s GLN 20 CO 0.21 -0.18 0.48 0.00 0.50 0.00 0.00 175.29 176.30 2wrk n ALA 21 N 4.97 -1.52 0.00 1.58 0.00 -1.26 -0.96 120.51 123.33 2wrk n ALA 21 Ca -0.15 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2wrk n ALA 21 Cb 0.53 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.25 2wrk n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrk n GLY 22 N 0.83 2.14 0.00 0.00 0.00 -1.26 -5.01 105.19 101.89 2wrk n GLY 22 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2wrk n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrk n GLY 23 N -0.58 0.93 3.77 -0.02 0.00 -0.13 -5.08 105.19 104.08 2wrk n GLY 23 Ca 0.00 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 2wrk n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wrk s ARG 24 N -1.78 2.99 -0.16 1.61 1.70 -1.26 -1.87 118.95 120.18 2wrk s ARG 24 Ca 0.00 -0.56 0.02 0.00 -0.47 0.00 0.00 55.73 54.72 2wrk s ARG 24 Cb 0.00 -2.80 0.01 0.00 -0.57 0.00 0.00 34.95 31.59 2wrk s ARG 24 CO 0.00 0.62 -0.21 0.50 -1.08 0.00 0.00 175.30 175.14 2wrk s ARG 25 N -1.91 3.03 0.00 3.89 3.52 -0.01 -4.97 118.95 122.50 2wrk s ARG 25 Ca 0.24 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 2wrk s ARG 25 Cb -0.12 -2.50 0.00 0.00 -1.56 0.00 0.00 34.95 30.77 2wrk s ARG 25 CO 0.16 -0.08 0.00 1.19 -0.81 0.00 0.00 175.30 175.76 2wrk n PHE 26 N 4.26 -3.71 0.00 5.12 3.01 -1.26 -1.93 117.46 122.95 2wrk n PHE 26 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.26 2wrk n PHE 26 Cb 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 2wrk n PHE 26 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2wrk n ARG 27 N -0.98 0.00 -4.43 -1.08 0.63 -1.03 -4.85 116.66 104.92 2wrk n ARG 27 Ca 0.00 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.67 2wrk n ARG 27 Cb 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 32.80 2wrk n ARG 27 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2wrk s PHE 28 N -1.92 2.32 -0.04 -0.14 0.40 -0.43 -1.44 117.98 116.73 2wrk s PHE 28 Ca 0.00 -0.34 -0.02 0.00 -0.60 0.00 0.00 56.93 55.97 2wrk s PHE 28 Cb 0.00 -1.09 0.03 0.00 0.51 0.00 0.00 43.02 42.47 2wrk s PHE 28 CO 0.00 0.59 0.08 0.20 0.70 0.00 0.00 175.22 176.79 2wrk s GLY 29 N -3.04 0.01 -0.02 4.36 0.00 -0.98 -0.30 107.32 107.34 2wrk s GLY 29 Ca 0.25 0.40 0.06 0.00 0.00 0.00 0.00 44.72 45.43 2wrk s GLY 29 CO 0.12 0.64 -0.19 0.00 0.00 0.00 0.00 173.10 173.67 2wrk s ALA 30 N 0.78 1.60 -0.52 3.20 0.00 0.20 -2.43 121.76 124.60 2wrk s ALA 30 Ca -0.06 -0.81 -0.06 0.00 0.00 0.00 0.00 51.96 51.03 2wrk s ALA 30 Cb -0.09 -0.43 0.14 0.00 0.00 0.00 0.00 23.12 22.74 2wrk s ALA 30 CO -0.03 0.37 0.36 -1.17 0.00 0.00 0.00 175.76 175.29 2wrk s LEU 31 N -0.35 5.53 -0.13 0.00 1.98 -0.83 -0.46 118.68 124.42 2wrk s LEU 31 Ca 0.05 -2.26 -0.04 0.00 -2.89 0.00 0.00 54.13 48.99 2wrk s LEU 31 Cb -0.08 -1.93 -0.03 0.00 0.66 0.00 0.00 46.19 44.80 2wrk s LEU 31 CO -0.00 -0.56 0.02 -0.69 -1.89 0.00 0.00 176.35 173.23 2wrk s VAL 32 N 0.83 4.43 0.28 1.68 1.01 -0.13 -1.94 120.40 126.55 2wrk s VAL 32 Ca 0.10 -0.19 0.06 0.00 0.00 0.00 0.00 61.98 61.95 2wrk s VAL 32 Cb -0.22 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 2wrk s VAL 32 CO -0.03 0.55 0.40 -0.69 0.00 0.00 0.00 175.10 175.33 2wrk s VAL 33 N -0.32 4.77 -0.28 2.92 1.01 0.92 -1.45 120.40 127.97 2wrk s VAL 33 Ca 0.07 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.85 2wrk s VAL 33 Cb -0.12 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.66 2wrk s VAL 33 CO 0.02 -0.26 0.72 0.54 0.00 0.00 0.00 175.10 176.12 2wrk s VAL 34 N -2.06 0.00 0.17 2.92 0.11 -0.63 -0.84 120.40 120.06 2wrk s VAL 34 Ca 0.39 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.34 2wrk s VAL 34 Cb -0.09 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.80 2wrk s VAL 34 CO 0.30 0.00 0.50 0.61 -3.33 0.00 0.00 175.10 173.18 2wrk n GLY 35 N 3.50 1.19 0.00 6.54 0.00 -1.26 -0.16 105.19 115.00 2wrk n GLY 35 Ca -0.17 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2wrk n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wrk n ASP 36 N -1.15 4.47 0.00 1.61 5.68 -0.93 0.12 116.55 126.35 2wrk n ASP 36 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 2wrk n ASP 36 Cb 0.33 0.68 0.00 0.00 -1.14 0.00 0.00 41.12 40.98 2wrk n ASP 36 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2wrk n ARG 37 N -1.58 0.00 -0.06 0.11 1.74 -0.73 -4.92 116.66 111.22 2wrk n ARG 37 Ca 0.00 0.10 0.05 0.00 -0.77 0.00 0.00 57.85 57.23 2wrk n ARG 37 Cb 0.22 -1.44 0.06 0.00 -1.02 0.00 0.00 32.46 30.28 2wrk n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2wrk n GLN 38 N -2.41 1.85 0.00 5.56 1.13 -1.25 -4.34 117.38 117.92 2wrk n GLN 38 Ca 0.00 -1.90 0.00 0.00 -1.94 0.00 0.00 57.00 53.16 2wrk n GLN 38 Cb 0.00 -1.16 0.00 0.00 0.11 0.00 0.00 30.24 29.19 2wrk n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wrk n GLY 39 N -0.86 1.60 2.82 1.08 0.00 -0.33 -4.99 105.19 104.50 2wrk n GLY 39 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 2wrk n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrk s ARG 40 N -0.39 0.31 0.17 1.61 0.52 -1.24 -2.05 118.95 117.87 2wrk s ARG 40 Ca 0.00 0.15 0.11 0.00 -0.52 0.00 0.00 55.73 55.47 2wrk s ARG 40 Cb 0.00 -0.70 -0.04 0.00 0.52 0.00 0.00 34.95 34.73 2wrk s ARG 40 CO 0.00 -0.84 -0.24 0.14 0.02 0.00 0.00 175.30 174.38 2wrk s VAL 41 N 2.42 2.23 0.00 3.52 -7.23 -1.23 -2.57 120.40 117.55 2wrk s VAL 41 Ca 0.10 -1.92 -0.04 0.00 -1.81 0.00 0.00 61.98 58.31 2wrk s VAL 41 Cb -0.15 -2.02 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 2wrk s VAL 41 CO -0.23 -0.08 0.07 -0.83 -0.31 0.00 0.00 175.10 173.72 2wrk s GLY 42 N -2.46 0.10 -0.10 2.32 0.00 0.77 -1.45 107.32 106.49 2wrk s GLY 42 Ca 0.17 -0.24 0.01 0.00 0.00 0.00 0.00 44.72 44.67 2wrk s GLY 42 CO 0.08 -0.34 -0.12 -2.27 0.00 0.00 0.00 173.10 170.45 2wrk s LEU 43 N -1.21 1.54 0.05 0.66 2.96 -1.21 -1.61 118.68 119.87 2wrk s LEU 43 Ca -0.13 -0.35 0.06 0.00 -0.22 0.00 0.00 54.13 53.49 2wrk s LEU 43 Cb -0.07 -0.94 -0.03 0.00 0.50 0.00 0.00 46.19 45.65 2wrk s LEU 43 CO 0.00 -0.02 -0.17 -0.83 -1.32 0.00 0.00 176.35 174.02 2wrk s GLY 44 N 1.12 0.94 -0.18 7.98 0.00 -0.53 -4.59 107.32 112.06 2wrk s GLY 44 Ca -0.05 -0.96 -0.01 0.00 0.00 0.00 0.00 44.72 43.70 2wrk s GLY 44 CO -0.02 -0.94 -0.03 -0.12 0.00 0.00 0.00 173.10 171.99 2wrk s PHE 45 N -0.94 1.61 0.11 1.90 5.36 -1.26 -0.95 117.98 123.80 2wrk s PHE 45 Ca 0.03 -1.09 0.09 0.00 -0.96 0.00 0.00 56.93 55.00 2wrk s PHE 45 Cb -0.09 -1.26 -0.04 0.00 -0.34 0.00 0.00 43.02 41.29 2wrk s PHE 45 CO 0.02 -0.62 -0.19 0.20 -1.46 0.00 0.00 175.22 173.17 2wrk s GLY 46 N 1.66 1.66 -0.07 13.12 0.00 0.39 -4.81 107.32 119.28 2wrk s GLY 46 Ca -0.00 -1.34 0.03 0.00 0.00 0.00 0.00 44.72 43.40 2wrk s GLY 46 CO -0.07 -1.31 -0.15 0.54 0.00 0.00 0.00 173.10 172.11 2wrk s LYS 47 N -2.03 1.92 0.09 2.90 3.01 -1.26 0.61 119.74 124.98 2wrk s LYS 47 Ca 0.17 -0.51 -0.18 0.00 -1.01 0.00 0.00 55.97 54.44 2wrk s LYS 47 Cb -0.10 -1.56 0.04 0.00 -1.01 0.00 0.00 37.83 35.19 2wrk s LYS 47 CO 0.09 0.08 0.43 0.00 0.51 0.00 0.00 175.35 176.46 2wrk s ALA 48 N 0.53 -1.03 -0.74 5.17 0.00 0.59 -4.85 121.76 121.42 2wrk s ALA 48 Ca -0.14 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.04 2wrk s ALA 48 Cb -0.16 0.53 0.19 0.00 0.00 0.00 0.00 23.12 23.69 2wrk s ALA 48 CO 0.04 -0.56 1.05 -2.30 0.00 0.00 0.00 175.76 173.99 2wrk n PRO 49 N 0.12 0.02 -3.81 0.00 -0.02 -1.26 -1.31 135.00 128.74 2wrk n PRO 49 Ca -0.17 0.47 -0.13 0.00 -2.02 0.00 0.00 63.50 61.65 2wrk n PRO 49 Cb 0.62 -1.64 -0.13 0.00 -0.02 0.00 0.00 33.50 32.32 2wrk n PRO 49 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2wrk s GLU 50 N -2.99 0.14 0.12 -0.52 2.56 -1.26 -4.71 118.70 112.04 2wrk s GLU 50 Ca -0.00 0.22 -0.31 0.00 0.00 0.00 0.00 54.97 54.88 2wrk s GLU 50 Cb 0.01 0.01 -0.09 0.00 2.00 0.00 0.00 34.13 36.07 2wrk s GLU 50 CO 0.03 -0.05 1.58 0.28 -0.56 0.00 0.00 175.26 176.54 2wrk h VAL 51 N 5.21 0.11 -0.88 3.70 2.07 -1.93 0.12 116.25 124.65 2wrk h VAL 51 Ca -0.29 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.39 2wrk h VAL 51 Cb 1.19 0.11 -0.16 0.00 -1.52 0.00 0.00 31.29 30.90 2wrk h VAL 51 CO 0.43 0.00 -0.30 -0.65 0.02 0.00 0.00 177.57 177.07 2wrk h PRO 52 N -0.57 -0.03 0.12 1.57 0.11 -1.97 1.04 132.00 132.27 2wrk h PRO 52 Ca 0.05 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 2wrk h PRO 52 Cb 0.66 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.78 2wrk h PRO 52 CO -0.36 -0.02 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.28 2wrk h LEU 53 N -0.03 -0.13 0.01 2.35 3.38 -1.72 -1.31 115.31 117.85 2wrk h LEU 53 Ca 0.37 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.33 2wrk h LEU 53 Cb 0.62 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 2wrk h LEU 53 CO -0.90 -0.04 -0.33 0.00 0.09 0.00 0.00 178.44 177.25 2wrk h ALA 54 N 0.66 -0.50 -0.30 1.53 0.00 0.22 0.63 119.26 121.51 2wrk h ALA 54 Ca -0.02 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.96 2wrk h ALA 54 Cb 0.17 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2wrk h ALA 54 CO 0.03 -0.85 0.29 0.28 0.00 0.00 0.00 179.25 178.99 2wrk h VAL 55 N -0.49 0.54 0.00 0.00 2.07 0.10 -2.28 116.25 116.19 2wrk h VAL 55 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 2wrk h VAL 55 Cb 0.57 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2wrk h VAL 55 CO -0.27 0.00 0.00 1.67 0.02 0.00 0.00 177.57 178.99 2wrk n GLN 56 N -3.95 0.00 -0.33 1.57 0.00 0.76 -3.40 117.38 112.03 2wrk n GLN 56 Ca 0.04 0.48 0.06 0.00 -0.00 0.00 0.00 57.00 57.59 2wrk n GLN 56 Cb 0.44 -1.11 0.14 0.00 0.00 0.00 0.00 30.24 29.71 2wrk n GLN 56 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2wrk n LYS 57 N -1.94 -0.08 -0.30 3.69 5.02 0.19 0.88 118.16 125.61 2wrk n LYS 57 Ca 0.00 1.44 0.10 0.00 -2.02 0.00 0.00 58.31 57.83 2wrk n LYS 57 Cb 0.00 -2.16 0.26 0.00 -0.02 0.00 0.00 35.03 33.11 2wrk n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wrk h ALA 58 N 1.85 1.35 -0.00 7.82 0.00 -1.55 0.51 119.26 129.23 2wrk h ALA 58 Ca 0.46 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 2wrk h ALA 58 Cb 0.72 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2wrk h ALA 58 CO -0.94 -0.21 -0.07 0.78 0.00 0.00 0.00 179.25 178.81 2wrk h GLY 59 N 0.51 0.01 0.53 0.00 0.00 0.48 0.39 103.07 104.99 2wrk h GLY 59 Ca 0.51 -0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.76 2wrk h GLY 59 CO -0.44 0.00 -0.26 -1.82 0.00 0.00 0.00 176.54 174.02 2wrk h TYR 60 N 0.01 0.31 0.00 5.60 3.20 0.22 -2.92 116.97 123.39 2wrk h TYR 60 Ca 0.00 -0.15 -0.04 0.00 3.14 0.00 0.00 58.73 61.68 2wrk h TYR 60 Cb 0.12 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2wrk h TYR 60 CO 0.00 0.91 -0.20 1.88 -1.64 0.00 0.00 178.16 179.11 2wrk h TYR 61 N -0.39 0.00 0.01 -3.82 0.05 -0.88 -2.67 116.97 109.27 2wrk h TYR 61 Ca -0.03 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 2wrk h TYR 61 Cb 0.97 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.71 2wrk h TYR 61 CO 0.16 0.20 -0.01 0.00 -1.05 0.00 0.00 178.16 177.46 2wrk h ALA 62 N 1.80 -0.73 -0.76 3.88 0.00 -0.12 -1.57 119.26 121.76 2wrk h ALA 62 Ca -0.00 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.09 2wrk h ALA 62 Cb 0.47 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2wrk h ALA 62 CO 0.03 -0.73 0.52 0.00 0.00 0.00 0.00 179.25 179.07 2wrk h ARG 63 N -0.01 0.23 0.97 0.00 3.08 -1.42 -2.66 114.38 114.56 2wrk h ARG 63 Ca -0.00 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 2wrk h ARG 63 Cb 0.01 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.02 2wrk h ARG 63 CO -0.00 0.15 -0.47 -0.09 -1.07 0.00 0.00 179.97 178.48 2wrk h ARG 64 N 0.23 -1.27 -5.01 0.04 2.43 -1.11 -3.37 114.38 106.33 2wrk h ARG 64 Ca 0.37 0.09 -0.68 0.00 -0.81 0.00 0.00 59.98 58.95 2wrk h ARG 64 Cb 1.12 0.29 -0.18 0.00 -0.42 0.00 0.00 29.97 30.78 2wrk h ARG 64 CO -0.08 -0.85 0.54 1.21 -1.51 0.00 0.00 179.97 179.28 2wrk s ASN 65 N -4.04 6.39 0.45 -3.80 2.47 -0.63 -5.02 114.94 110.76 2wrk s ASN 65 Ca -0.20 -1.61 0.03 0.00 0.42 0.00 0.00 52.86 51.50 2wrk s ASN 65 Cb 0.02 -2.37 -0.02 0.00 -1.45 0.00 0.00 41.25 37.43 2wrk s ASN 65 CO 0.60 -1.17 0.07 -0.04 -3.72 0.00 0.00 177.10 172.84 2wrk s MET 66 N 2.97 2.04 -0.15 0.43 -1.94 -1.26 -3.30 119.30 118.09 2wrk s MET 66 Ca 0.24 -2.26 -0.09 0.00 -1.71 0.00 0.00 55.69 51.86 2wrk s MET 66 Cb -0.13 -1.05 0.05 0.00 2.01 0.00 0.00 34.83 35.71 2wrk s MET 66 CO 0.00 -0.40 0.36 0.54 -0.01 0.00 0.00 175.02 175.51 2wrk s VAL 67 N -3.05 -0.02 0.40 -6.03 0.11 -0.53 -4.99 120.40 106.29 2wrk s VAL 67 Ca 0.17 0.08 -0.26 0.00 -2.93 0.00 0.00 61.98 59.04 2wrk s VAL 67 Cb 0.03 -0.53 -0.09 0.00 -1.53 0.00 0.00 36.38 34.26 2wrk s VAL 67 CO 0.10 0.03 1.28 -1.83 -3.33 0.00 0.00 175.10 171.35 2wrk s GLU 68 N 1.07 3.98 -0.14 1.54 -1.05 -1.26 -3.49 118.70 119.34 2wrk s GLU 68 Ca -0.07 2.11 -0.02 0.00 -0.15 0.00 0.00 54.97 56.84 2wrk s GLU 68 Cb -0.07 -2.74 0.04 0.00 -0.44 0.00 0.00 34.13 30.92 2wrk s GLU 68 CO -0.09 -0.47 -0.01 0.08 0.95 0.00 0.00 175.26 175.73 2wrk s VAL 69 N -1.28 0.66 -0.28 1.83 1.01 -0.87 -4.84 120.40 116.62 2wrk s VAL 69 Ca 0.57 -0.34 -0.10 0.00 0.00 0.00 0.00 61.98 62.11 2wrk s VAL 69 Cb -0.37 -0.94 -0.10 0.00 0.00 0.00 0.00 36.38 34.97 2wrk s VAL 69 CO 0.47 0.07 1.46 -0.81 0.00 0.00 0.00 175.10 176.29 2wrk n PRO 70 N 5.03 0.62 -0.50 2.72 -0.04 -1.26 -4.67 135.00 136.89 2wrk n PRO 70 Ca -0.09 -0.95 -0.28 0.00 -0.04 0.00 0.00 63.50 62.14 2wrk n PRO 70 Cb 0.48 -2.29 0.22 0.00 -0.04 0.00 0.00 33.50 31.86 2wrk n PRO 70 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wrk n LEU 71 N 5.88 -1.67 -2.73 1.53 4.77 -1.26 -3.95 117.00 119.57 2wrk n LEU 71 Ca 0.24 -0.35 -0.02 0.00 -0.03 0.00 0.00 56.01 55.85 2wrk n LEU 71 Cb 0.15 -0.99 0.02 0.00 -2.33 0.00 0.00 43.42 40.27 2wrk n LEU 71 CO 0.74 -3.48 0.38 -1.58 -1.33 0.00 0.00 177.39 172.12 2wrk s GLN 72 N -3.98 0.42 -0.66 3.23 0.74 -0.25 -4.81 119.66 114.36 2wrk s GLN 72 Ca 0.57 -0.37 -0.04 0.00 0.05 0.00 0.00 55.36 55.57 2wrk s GLN 72 Cb -0.14 -0.01 0.00 0.00 1.10 0.00 0.00 33.01 33.97 2wrk s GLN 72 CO 0.58 -0.53 0.50 0.09 -0.55 0.00 0.00 175.29 175.38 2wrk n ASN 73 N 2.91 -3.99 -1.70 6.67 5.03 -1.26 -3.27 115.26 119.64 2wrk n ASN 73 Ca 0.12 -0.23 -0.11 0.00 0.87 0.00 0.00 54.58 55.24 2wrk n ASN 73 Cb 0.62 -2.62 0.03 0.00 -1.02 0.00 0.00 39.78 36.79 2wrk n ASN 73 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wrk n GLY 74 N -1.19 0.19 3.51 7.41 0.00 -1.26 -4.81 105.19 109.04 2wrk n GLY 74 Ca -0.01 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 2wrk n GLY 74 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wrk s THR 75 N -2.97 0.00 0.44 2.61 -1.32 -1.20 -0.59 115.64 112.60 2wrk s THR 75 Ca 0.20 -0.01 -0.26 0.00 -1.21 0.00 0.00 61.69 60.41 2wrk s THR 75 Cb -0.09 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.82 2wrk s THR 75 CO 0.25 -0.00 1.45 -0.51 -2.21 0.00 0.00 174.62 173.60 2wrk s ILE 76 N -1.32 2.01 0.12 5.08 2.07 -1.26 -1.08 121.20 126.81 2wrk s ILE 76 Ca -0.10 0.01 -0.31 0.00 -1.41 0.00 0.00 60.65 58.83 2wrk s ILE 76 Cb -0.00 -3.00 -0.10 0.00 0.13 0.00 0.00 42.46 39.49 2wrk s ILE 76 CO 0.09 0.00 1.58 1.55 -1.91 0.00 0.00 174.94 176.25 2wrk h PRO 77 N 2.45 -0.60 0.00 3.50 0.13 -1.86 -3.43 132.00 132.18 2wrk h PRO 77 Ca -0.51 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2wrk h PRO 77 Cb 1.26 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.53 2wrk h PRO 77 CO 0.62 -0.40 0.00 -2.39 -0.23 0.00 0.00 178.00 175.59 2wrk n HIS 78 N -5.46 0.00 -3.91 1.56 1.44 -1.26 -4.97 115.22 102.62 2wrk n HIS 78 Ca -0.07 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.53 2wrk n HIS 78 Cb 0.38 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.36 2wrk n HIS 78 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 2wrk s GLU 79 N 4.17 0.10 0.32 -1.40 4.04 -1.26 -3.78 118.70 120.89 2wrk s GLU 79 Ca 0.00 -0.19 0.05 0.00 0.04 0.00 0.00 54.97 54.87 2wrk s GLU 79 Cb 0.00 0.03 -0.03 0.00 0.02 0.00 0.00 34.13 34.15 2wrk s GLU 79 CO 0.00 -0.02 0.22 0.96 -1.84 0.00 0.00 175.26 174.58 2wrk s ILE 80 N -0.46 0.15 -0.10 1.83 -4.36 -0.47 -4.98 121.20 112.80 2wrk s ILE 80 Ca -0.05 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.29 2wrk s ILE 80 Cb -0.03 -2.47 0.05 0.00 1.25 0.00 0.00 42.46 41.25 2wrk s ILE 80 CO -0.00 0.00 0.22 -1.61 0.24 0.00 0.00 174.94 173.79 2wrk s GLU 81 N -3.63 0.17 -0.04 0.37 2.02 -1.26 -0.03 118.70 116.30 2wrk s GLU 81 Ca 0.37 0.51 0.01 0.00 0.02 0.00 0.00 54.97 55.88 2wrk s GLU 81 Cb 0.03 -0.13 0.02 0.00 0.10 0.00 0.00 34.13 34.15 2wrk s GLU 81 CO 0.22 -0.18 -0.04 0.08 0.02 0.00 0.00 175.26 175.36 2wrk s VAL 82 N 1.37 0.51 -0.04 2.63 1.01 -0.24 -4.96 120.40 120.67 2wrk s VAL 82 Ca -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 2wrk s VAL 82 Cb -0.11 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 2wrk s VAL 82 CO -0.08 0.21 0.06 -1.61 0.00 0.00 0.00 175.10 173.68 2wrk s GLU 83 N 0.83 3.06 -0.32 2.72 2.02 -1.26 -0.38 118.70 125.37 2wrk s GLU 83 Ca -0.11 -0.44 -0.01 0.00 0.02 0.00 0.00 54.97 54.43 2wrk s GLU 83 Cb -0.14 -2.86 0.13 0.00 0.10 0.00 0.00 34.13 31.37 2wrk s GLU 83 CO 0.00 0.67 0.25 0.12 0.02 0.00 0.00 175.26 176.33 2wrk s PHE 84 N -1.09 -0.04 0.00 1.61 5.36 0.14 -4.99 117.98 118.97 2wrk s PHE 84 Ca 0.19 -0.72 0.00 0.00 -0.96 0.00 0.00 56.93 55.44 2wrk s PHE 84 Cb -0.12 -0.64 0.00 0.00 -0.34 0.00 0.00 43.02 41.92 2wrk s PHE 84 CO 0.10 -0.89 0.00 0.41 -1.46 0.00 0.00 175.22 173.37 2wrk n GLY 85 N 4.87 1.21 0.54 13.12 0.00 -1.26 -2.28 105.19 121.40 2wrk n GLY 85 Ca 0.02 -0.56 0.13 0.00 0.00 0.00 0.00 46.02 45.61 2wrk n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrk n ALA 86 N 10.25 2.70 -2.63 4.61 0.00 -1.26 -4.84 120.51 129.34 2wrk n ALA 86 Ca 0.00 -0.50 -0.38 0.00 0.00 0.00 0.00 53.44 52.56 2wrk n ALA 86 Cb 0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.33 2wrk n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2wrk s SER 87 N -2.12 6.76 -0.05 0.00 0.01 -0.96 0.02 113.70 117.36 2wrk s SER 87 Ca 0.32 0.90 0.02 0.00 1.31 0.00 0.00 55.95 58.51 2wrk s SER 87 Cb 0.20 -2.29 0.01 0.00 0.21 0.00 0.00 66.02 64.15 2wrk s SER 87 CO 0.38 0.09 -0.11 -0.75 0.41 0.00 0.00 173.24 173.26 2wrk s LYS 88 N 0.10 1.37 0.04 12.44 2.20 0.25 0.28 119.74 136.42 2wrk s LYS 88 Ca 0.26 -0.37 0.07 0.00 -0.36 0.00 0.00 55.97 55.58 2wrk s LYS 88 Cb -0.16 -1.20 -0.03 0.00 -1.51 0.00 0.00 37.83 34.94 2wrk s LYS 88 CO 0.12 0.07 -0.21 -1.50 -0.36 0.00 0.00 175.35 173.47 2wrk s ILE 89 N 0.45 1.72 -0.08 5.43 2.07 0.49 -0.37 121.20 130.91 2wrk s ILE 89 Ca -0.09 -1.22 0.04 0.00 -1.41 0.00 0.00 60.65 57.97 2wrk s ILE 89 Cb -0.13 -1.49 0.00 0.00 0.13 0.00 0.00 42.46 40.97 2wrk s ILE 89 CO 0.02 0.23 -0.21 -0.69 -1.91 0.00 0.00 174.94 172.38 2wrk s VAL 90 N -0.80 1.80 -0.11 4.00 1.01 -0.54 -1.08 120.40 124.67 2wrk s VAL 90 Ca 0.08 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.21 2wrk s VAL 90 Cb -0.09 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.73 2wrk s VAL 90 CO 0.02 0.50 -0.22 -0.76 0.00 0.00 0.00 175.10 174.64 2wrk s LEU 91 N 0.31 2.04 -0.23 3.92 2.01 0.95 -1.93 118.68 125.75 2wrk s LEU 91 Ca -0.15 -0.55 -0.03 0.00 0.01 0.00 0.00 54.13 53.42 2wrk s LEU 91 Cb -0.16 -1.36 0.07 0.00 0.01 0.00 0.00 46.19 44.75 2wrk s LEU 91 CO 0.07 0.11 0.06 -0.75 1.01 0.00 0.00 176.35 176.85 2wrk s LYS 92 N 0.61 0.56 0.35 1.70 2.20 0.16 -1.37 119.74 123.95 2wrk s LYS 92 Ca -0.13 -0.54 -0.25 0.00 -0.36 0.00 0.00 55.97 54.70 2wrk s LYS 92 Cb -0.17 -1.95 -0.14 0.00 -1.51 0.00 0.00 37.83 34.07 2wrk s LYS 92 CO 0.03 -0.76 0.63 -0.35 -0.36 0.00 0.00 175.35 174.54 2wrk n PRO 93 N 5.05 0.63 -4.40 4.03 -0.04 -1.25 -0.56 135.00 138.46 2wrk n PRO 93 Ca -0.07 0.22 -0.24 0.00 -0.04 0.00 0.00 63.50 63.37 2wrk n PRO 93 Cb 0.46 -1.47 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 2wrk n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wrk s ALA 94 N -1.30 2.37 0.37 0.55 0.00 -1.24 -4.66 121.76 117.85 2wrk s ALA 94 Ca 0.62 -1.64 -0.25 0.00 0.00 0.00 0.00 51.96 50.68 2wrk s ALA 94 Cb -0.69 -0.25 -0.09 0.00 0.00 0.00 0.00 23.12 22.09 2wrk s ALA 94 CO 0.58 0.31 1.07 0.00 0.00 0.00 0.00 175.76 177.72 2wrk s ALA 95 N -2.06 3.16 0.26 0.00 0.00 -1.26 -4.79 121.76 117.06 2wrk s ALA 95 Ca 0.21 0.76 -0.24 0.00 0.00 0.00 0.00 51.96 52.69 2wrk s ALA 95 Cb -0.06 -3.29 -0.15 0.00 0.00 0.00 0.00 23.12 19.62 2wrk s ALA 95 CO 0.10 -0.21 0.34 -2.30 0.00 0.00 0.00 175.76 173.68 2wrk n PRO 96 N 0.23 0.00 -3.14 0.00 -0.02 -1.26 -2.89 135.00 127.92 2wrk n PRO 96 Ca 0.04 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.38 2wrk n PRO 96 Cb 0.48 -0.94 0.07 0.00 -0.02 0.00 0.00 33.50 33.10 2wrk n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wrk n GLY 97 N 1.99 -0.19 0.31 -1.23 0.00 -1.26 -4.94 105.19 99.86 2wrk n GLY 97 Ca 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 2wrk n GLY 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wrk n THR 98 N -3.53 0.28 0.00 2.61 -1.04 -1.14 -5.12 114.28 106.33 2wrk n THR 98 Ca -0.21 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 2wrk n THR 98 Cb 0.63 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 2wrk n THR 98 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wrk n GLY 99 N 3.07 1.66 3.63 3.41 0.00 -1.20 -4.91 105.19 110.84 2wrk n GLY 99 Ca -0.09 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 2wrk n GLY 99 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wrk s VAL 100 N -2.90 4.89 -0.25 1.61 -7.23 -0.94 -2.58 120.40 112.99 2wrk s VAL 100 Ca 0.00 1.31 0.01 0.00 -1.81 0.00 0.00 61.98 61.49 2wrk s VAL 100 Cb 0.00 -4.05 0.04 0.00 0.56 0.00 0.00 36.38 32.93 2wrk s VAL 100 CO 0.00 -0.07 -0.10 0.27 -0.31 0.00 0.00 175.10 174.89 2wrk s ILE 101 N 2.73 2.42 0.08 -0.62 -0.00 -1.14 -4.97 121.20 119.70 2wrk s ILE 101 Ca 0.31 -1.36 -0.25 0.00 -0.00 0.00 0.00 60.65 59.35 2wrk s ILE 101 Cb -0.15 -2.31 0.09 0.00 -0.00 0.00 0.00 42.46 40.08 2wrk s ILE 101 CO 0.09 0.10 1.17 0.00 -0.00 0.00 0.00 174.94 176.30 2wrk s ALA 102 N 1.20 -2.06 1.23 2.27 0.00 -1.26 -3.02 121.76 120.11 2wrk s ALA 102 Ca -0.04 -0.15 -0.17 0.00 0.00 0.00 0.00 51.96 51.61 2wrk s ALA 102 Cb -0.18 0.84 0.30 0.00 0.00 0.00 0.00 23.12 24.07 2wrk s ALA 102 CO -0.06 -1.11 1.02 0.20 0.00 0.00 0.00 175.76 175.81 2wrk s GLY 103 N -3.63 1.51 0.32 0.00 0.00 -1.26 -4.73 107.32 99.53 2wrk s GLY 103 Ca 0.26 -0.50 0.09 0.00 0.00 0.00 0.00 44.72 44.57 2wrk s GLY 103 CO 0.02 0.32 1.74 0.00 0.00 0.00 0.00 173.10 175.18 2wrk h ALA 104 N -2.76 1.20 0.14 3.20 0.00 -2.01 -1.89 119.26 117.12 2wrk h ALA 104 Ca -0.54 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 53.97 2wrk h ALA 104 Cb 1.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2wrk h ALA 104 CO 0.43 0.56 -0.07 0.28 0.00 0.00 0.00 179.25 180.46 2wrk h VAL 105 N 0.11 0.00 -1.01 0.00 2.07 -1.98 -1.70 116.25 113.74 2wrk h VAL 105 Ca 0.01 -0.29 0.22 0.00 0.82 0.00 0.00 66.70 67.46 2wrk h VAL 105 Cb 0.79 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.44 2wrk h VAL 105 CO 0.06 0.00 0.61 1.55 0.02 0.00 0.00 177.57 179.80 2wrk h PRO 106 N -0.47 0.64 0.44 1.57 0.13 -1.91 -1.63 132.00 130.77 2wrk h PRO 106 Ca -0.02 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 2wrk h PRO 106 Cb 0.14 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2wrk h PRO 106 CO 0.03 0.42 -0.42 -0.09 -0.23 0.00 0.00 178.00 177.71 2wrk h ARG 107 N 0.66 -0.83 -0.77 0.86 2.43 -1.41 -1.80 114.38 113.52 2wrk h ARG 107 Ca 0.61 0.06 0.16 0.00 -0.81 0.00 0.00 59.98 60.00 2wrk h ARG 107 Cb 1.08 0.19 -0.15 0.00 -0.42 0.00 0.00 29.97 30.68 2wrk h ARG 107 CO -0.43 -0.55 -0.17 0.00 -1.51 0.00 0.00 179.97 177.32 2wrk n ALA 108 N -2.72 0.21 0.22 2.80 0.00 -0.63 -0.35 120.51 120.06 2wrk n ALA 108 Ca -0.10 0.85 -0.14 0.00 0.00 0.00 0.00 53.44 54.05 2wrk n ALA 108 Cb 0.39 -0.52 -0.07 0.00 0.00 0.00 0.00 19.45 19.24 2wrk n ALA 108 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2wrk h ILE 109 N 0.00 0.44 -0.58 0.00 2.04 -1.29 -2.96 117.51 115.16 2wrk h ILE 109 Ca 0.38 -0.49 0.10 0.00 1.00 0.00 0.00 64.86 65.85 2wrk h ILE 109 Cb 0.62 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 37.24 2wrk h ILE 109 CO -0.79 0.07 0.15 -0.07 0.00 0.00 0.00 178.15 177.52 2wrk h LEU 110 N -0.93 0.07 -0.03 1.44 3.38 -0.00 0.16 115.31 119.39 2wrk h LEU 110 Ca -0.06 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2wrk h LEU 110 Cb 0.57 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 2wrk h LEU 110 CO 0.10 0.05 -0.24 -0.33 0.09 0.00 0.00 178.44 178.11 2wrk h GLU 111 N 0.30 -0.34 0.00 1.13 5.08 -0.74 -0.63 114.58 119.37 2wrk h GLU 111 Ca 0.30 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2wrk h GLU 111 Cb 0.41 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2wrk h GLU 111 CO -0.36 -0.23 0.00 1.28 -1.00 0.00 0.00 179.01 178.70 2wrk n LEU 112 N -5.36 0.38 0.14 1.33 4.77 -0.93 -1.00 117.00 116.33 2wrk n LEU 112 Ca -0.04 0.60 0.05 0.00 -0.03 0.00 0.00 56.01 56.59 2wrk n LEU 112 Cb 0.27 -0.55 0.04 0.00 -2.33 0.00 0.00 43.42 40.85 2wrk n LEU 112 CO 0.21 -0.45 0.41 0.00 -1.33 0.00 0.00 177.39 176.23 2wrk h ALA 113 N 2.34 0.73 0.00 -1.18 0.00 0.44 -1.82 119.26 119.77 2wrk h ALA 113 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2wrk h ALA 113 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2wrk h ALA 113 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.14 2wrk n GLY 114 N 1.22 1.34 3.83 0.00 0.00 -0.17 -1.19 105.19 110.22 2wrk n GLY 114 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2wrk n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrk s VAL 115 N -2.00 4.47 -0.04 1.61 1.01 -0.43 -4.71 120.40 120.31 2wrk s VAL 115 Ca 0.00 1.33 -0.03 0.00 0.00 0.00 0.00 61.98 63.28 2wrk s VAL 115 Cb 0.00 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2wrk s VAL 115 CO 0.00 -0.53 -0.06 0.41 0.00 0.00 0.00 175.10 174.91 2wrk n THR 116 N -1.19 0.36 -4.40 3.92 -1.04 0.24 -4.59 114.28 107.58 2wrk n THR 116 Ca 0.07 -0.03 -0.22 0.00 -2.04 0.00 0.00 64.05 61.83 2wrk n THR 116 Cb 0.54 -1.58 -0.16 0.00 -1.82 0.00 0.00 70.33 67.31 2wrk n THR 116 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2wrk s ASP 117 N -5.50 1.34 -0.30 8.00 1.01 -0.94 -2.23 116.67 118.06 2wrk s ASP 117 Ca -0.07 -0.21 -0.17 0.00 0.71 0.00 0.00 52.55 52.81 2wrk s ASP 117 Cb 0.03 -0.55 0.18 0.00 1.01 0.00 0.00 42.92 43.59 2wrk s ASP 117 CO 0.09 0.02 1.15 -0.51 0.21 0.00 0.00 175.17 176.12 2wrk s ILE 118 N 0.58 -0.19 0.01 0.77 1.10 -1.06 -3.66 121.20 118.75 2wrk s ILE 118 Ca -0.10 0.00 -0.23 0.00 -0.51 0.00 0.00 60.65 59.80 2wrk s ILE 118 Cb -0.13 -1.00 -0.05 0.00 0.15 0.00 0.00 42.46 41.43 2wrk s ILE 118 CO 0.02 0.00 0.71 -0.76 -2.11 0.00 0.00 174.94 172.79 2wrk s LEU 119 N 1.92 4.42 -0.07 8.50 1.43 0.28 -2.88 118.68 132.28 2wrk s LEU 119 Ca -0.03 1.32 -0.13 0.00 -1.03 0.00 0.00 54.13 54.26 2wrk s LEU 119 Cb -0.03 -3.12 0.03 0.00 0.03 0.00 0.00 46.19 43.10 2wrk s LEU 119 CO -0.15 0.01 0.32 0.42 0.23 0.00 0.00 176.35 177.18 2wrk s THR 120 N 0.06 0.03 -0.02 5.49 -4.23 -1.17 0.38 115.64 116.19 2wrk s THR 120 Ca 0.36 -0.26 0.02 0.00 -1.18 0.00 0.00 61.69 60.63 2wrk s THR 120 Cb -0.19 -0.55 0.00 0.00 1.34 0.00 0.00 72.50 73.10 2wrk s THR 120 CO 0.21 -0.14 -0.06 -0.75 -0.54 0.00 0.00 174.62 173.33 2wrk s LYS 121 N -0.63 0.61 -0.21 3.99 2.47 -0.81 -4.60 119.74 120.56 2wrk s LYS 121 Ca -0.07 -0.20 -0.18 0.00 -1.56 0.00 0.00 55.97 53.96 2wrk s LYS 121 Cb -0.04 -0.60 -0.03 0.00 -1.46 0.00 0.00 37.83 35.69 2wrk s LYS 121 CO 0.02 0.08 0.49 -1.21 0.16 0.00 0.00 175.35 174.89 2wrk s GLU 122 N 0.14 4.17 -0.01 4.03 2.02 -1.26 -1.47 118.70 126.31 2wrk s GLU 122 Ca -0.01 0.35 0.03 0.00 0.02 0.00 0.00 54.97 55.36 2wrk s GLU 122 Cb -0.06 -3.56 -0.01 0.00 0.10 0.00 0.00 34.13 30.60 2wrk s GLU 122 CO -0.00 -0.14 -0.12 -0.51 0.02 0.00 0.00 175.26 174.51 2wrk s LEU 123 N 1.61 1.98 0.00 1.80 1.43 0.50 -5.02 118.68 120.99 2wrk s LEU 123 Ca 0.22 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2wrk s LEU 123 Cb -0.15 -0.61 0.00 0.00 0.03 0.00 0.00 46.19 45.46 2wrk s LEU 123 CO 0.09 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.41 2wrk n GLY 124 N 2.88 -1.86 3.60 -3.19 0.00 -1.26 0.86 105.19 106.22 2wrk n GLY 124 Ca -0.15 -1.69 -0.58 0.00 0.00 0.00 0.00 46.02 43.60 2wrk n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wrk n SER 125 N 0.43 1.06 -1.83 1.61 2.88 0.10 -4.77 113.62 113.10 2wrk n SER 125 Ca 0.00 1.14 -0.06 0.00 -1.33 0.00 0.00 58.87 58.62 2wrk n SER 125 Cb 0.00 -1.03 0.25 0.00 -0.75 0.00 0.00 64.21 62.68 2wrk n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2wrk n ARG 126 N 2.84 3.21 -1.55 -1.46 1.74 -1.26 -4.04 116.66 116.13 2wrk n ARG 126 Ca 0.22 -2.57 -0.44 0.00 -0.77 0.00 0.00 57.85 54.29 2wrk n ARG 126 Cb 0.10 -2.07 -0.04 0.00 -1.02 0.00 0.00 32.46 29.43 2wrk n ARG 126 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2wrk n ASN 127 N -0.14 2.87 -0.34 0.55 2.85 -1.26 -4.85 115.26 114.94 2wrk n ASN 127 Ca 0.36 0.19 -0.07 0.00 -0.11 0.00 0.00 54.58 54.95 2wrk n ASN 127 Cb 1.25 -1.48 -0.04 0.00 1.24 0.00 0.00 39.78 40.75 2wrk n ASN 127 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wrk h PRO 128 N 14.78 -0.07 -0.68 1.20 0.11 -1.98 0.24 132.00 145.59 2wrk h PRO 128 Ca -0.36 0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.83 2wrk h PRO 128 Cb 1.26 0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.29 2wrk h PRO 128 CO 1.00 -0.05 -0.55 0.82 -0.21 0.00 0.00 178.00 179.00 2wrk h ILE 129 N -0.08 0.01 -0.24 4.15 2.04 -1.99 0.56 117.51 121.96 2wrk h ILE 129 Ca 0.22 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.07 2wrk h ILE 129 Cb 0.52 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2wrk h ILE 129 CO -0.88 0.00 0.12 0.78 0.00 0.00 0.00 178.15 178.17 2wrk h ASN 130 N -0.21 0.30 -0.75 1.72 2.35 -1.48 -2.37 115.58 115.15 2wrk h ASN 130 Ca 0.13 -0.11 0.07 0.00 -0.55 0.00 0.00 56.30 55.83 2wrk h ASN 130 Cb 0.52 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 38.75 2wrk h ASN 130 CO -0.76 0.33 0.43 0.40 -1.65 0.00 0.00 177.43 176.18 2wrk h ILE 131 N 0.26 0.97 0.07 2.81 1.08 0.21 0.71 117.51 123.62 2wrk h ILE 131 Ca 0.08 -0.27 0.02 0.00 -0.39 0.00 0.00 64.86 64.30 2wrk h ILE 131 Cb 0.10 0.13 -0.05 0.00 -3.07 0.00 0.00 36.82 33.93 2wrk h ILE 131 CO -0.01 0.14 -0.51 0.00 -0.69 0.00 0.00 178.15 177.08 2wrk h ALA 132 N 1.38 -0.92 -0.15 1.87 0.00 0.43 0.31 119.26 122.18 2wrk h ALA 132 Ca 0.34 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.20 2wrk h ALA 132 Cb 0.22 0.88 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 2wrk h ALA 132 CO -0.19 -1.09 -0.11 1.88 0.00 0.00 0.00 179.25 179.73 2wrk h TYR 133 N -0.70 -0.27 -0.87 0.00 0.99 -0.89 -0.40 116.97 114.82 2wrk h TYR 133 Ca 0.01 0.02 0.23 0.00 2.00 0.00 0.00 58.73 60.99 2wrk h TYR 133 Cb 0.73 0.14 -0.15 0.00 1.00 0.00 0.00 36.73 38.46 2wrk h TYR 133 CO -0.46 -0.17 0.18 0.00 -0.00 0.00 0.00 178.16 177.71 2wrk h ALA 134 N 1.00 1.20 -0.10 3.88 0.00 0.12 0.27 119.26 125.63 2wrk h ALA 134 Ca 0.09 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2wrk h ALA 134 Cb 0.26 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2wrk h ALA 134 CO -0.23 -0.48 0.02 1.15 0.00 0.00 0.00 179.25 179.72 2wrk h THR 135 N 0.16 1.20 0.00 0.00 2.02 0.10 -2.42 112.91 113.97 2wrk h THR 135 Ca 0.54 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2wrk h THR 135 Cb 1.09 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 2wrk h THR 135 CO -0.69 0.17 0.00 0.23 0.37 0.00 0.00 175.52 175.60 2wrk n MET 136 N -4.88 0.00 -0.23 6.66 2.00 0.76 -1.99 117.12 119.44 2wrk n MET 136 Ca -0.06 0.42 0.16 0.00 0.00 0.00 0.00 57.70 58.23 2wrk n MET 136 Cb 0.15 -1.25 0.31 0.00 0.00 0.00 0.00 33.22 32.43 2wrk n MET 136 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2wrk n GLU 137 N -1.51 -0.05 0.00 0.03 -0.58 -0.10 -0.37 120.64 118.06 2wrk n GLU 137 Ca 0.00 0.98 0.00 0.00 -0.42 0.00 0.00 57.16 57.72 2wrk n GLU 137 Cb 0.00 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.21 2wrk n GLU 137 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wrk n ALA 138 N -2.88 -0.13 -0.36 0.62 0.00 -0.84 -2.49 120.51 114.43 2wrk n ALA 138 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.70 2wrk n ALA 138 Cb 0.71 0.18 0.12 0.00 0.00 0.00 0.00 19.45 20.46 2wrk n ALA 138 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wrk n LEU 139 N -1.59 -0.42 0.00 0.00 4.77 0.50 0.20 117.00 120.47 2wrk n LEU 139 Ca 0.00 1.71 0.00 0.00 -0.03 0.00 0.00 56.01 57.69 2wrk n LEU 139 Cb 0.00 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 2wrk n LEU 139 CO 0.00 -1.62 0.22 -1.14 -1.33 0.00 0.00 177.39 173.52 2wrk n ARG 140 N -5.58 0.00 0.00 3.23 0.63 -0.64 -0.08 116.66 114.21 2wrk n ARG 140 Ca 0.15 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 2wrk n ARG 140 Cb 0.47 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 31.87 2wrk n ARG 140 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2wrk n GLN 141 N -0.92 2.59 -2.80 -0.14 6.02 0.53 -5.05 117.38 117.62 2wrk n GLN 141 Ca 0.00 -1.38 -0.34 0.00 -0.01 0.00 0.00 57.00 55.27 2wrk n GLN 141 Cb 0.01 -0.97 -0.07 0.00 1.02 0.00 0.00 30.24 30.23 2wrk n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2wrk s LEU 142 N -0.88 4.04 0.06 1.08 1.43 0.88 -5.08 118.68 120.20 2wrk s LEU 142 Ca 0.00 1.74 -0.00 0.00 -1.03 0.00 0.00 54.13 54.84 2wrk s LEU 142 Cb 0.00 -4.41 -0.04 0.00 0.03 0.00 0.00 46.19 41.77 2wrk s LEU 142 CO 0.00 -0.31 -0.04 -0.13 0.23 0.00 0.00 176.35 176.10 2wrk s ARG 143 N -2.90 0.63 0.05 1.70 1.81 -1.26 -4.95 118.95 114.03 2wrk s ARG 143 Ca 0.59 -1.18 0.08 0.00 -1.72 0.00 0.00 55.73 53.50 2wrk s ARG 143 Cb -0.12 0.09 -0.03 0.00 -0.45 0.00 0.00 34.95 34.44 2wrk s ARG 143 CO 0.16 -0.08 -0.21 0.95 -0.68 0.00 0.00 175.30 175.44 2wrk s THR 144 N -3.58 2.58 0.48 0.02 -4.23 -1.26 -4.52 115.64 105.14 2wrk s THR 144 Ca 0.06 -1.30 0.42 0.00 -1.18 0.00 0.00 61.69 59.69 2wrk s THR 144 Cb 0.05 -2.08 0.62 0.00 1.34 0.00 0.00 72.50 72.44 2wrk s THR 144 CO -0.08 0.31 1.45 1.17 -0.54 0.00 0.00 174.62 176.94 2wrk n LYS 145 N 1.52 -0.01 0.00 3.99 4.81 -1.26 -0.86 118.16 126.35 2wrk n LYS 145 Ca -0.16 1.06 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 2wrk n LYS 145 Cb 0.52 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 33.25 2wrk n LYS 145 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wrk n ALA 146 N -2.75 -0.18 0.37 3.14 0.00 -1.26 -2.36 120.51 117.48 2wrk n ALA 146 Ca 0.40 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.87 2wrk n ALA 146 Cb 1.75 0.00 0.14 0.00 0.00 0.00 0.00 19.45 21.34 2wrk n ALA 146 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wrk n ASP 147 N -1.06 0.00 -0.07 0.00 3.85 -0.04 -2.12 116.55 117.11 2wrk n ASP 147 Ca 0.00 -0.22 -0.08 0.00 -0.71 0.00 0.00 54.79 53.77 2wrk n ASP 147 Cb 0.00 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 39.72 2wrk n ASP 147 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 2wrk h VAL 148 N 0.00 0.38 0.00 2.12 2.07 -1.12 -3.32 116.25 116.37 2wrk h VAL 148 Ca 0.00 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.13 2wrk h VAL 148 Cb 0.00 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2wrk h VAL 148 CO 0.00 0.13 0.00 -1.84 0.02 0.00 0.00 177.57 175.88 2wrk n GLU 149 N -4.61 0.19 0.00 1.57 0.28 -0.90 0.61 120.64 117.78 2wrk n GLU 149 Ca -0.11 0.09 0.14 0.00 -0.16 0.00 0.00 57.16 57.11 2wrk n GLU 149 Cb 0.32 -1.50 0.49 0.00 1.43 0.00 0.00 31.44 32.18 2wrk n GLU 149 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2wrk n ARG 150 N -1.11 1.25 -0.00 3.44 0.63 -1.16 -3.32 116.66 116.39 2wrk n ARG 150 Ca 0.05 -0.70 0.06 0.00 -0.92 0.00 0.00 57.85 56.34 2wrk n ARG 150 Cb 0.04 -1.49 -0.08 0.00 0.45 0.00 0.00 32.46 31.39 2wrk n ARG 150 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2wrk n LEU 151 N -0.27 0.59 -4.05 6.15 4.77 0.20 -4.82 117.00 119.57 2wrk n LEU 151 Ca 0.16 -0.47 -0.32 0.00 -0.03 0.00 0.00 56.01 55.35 2wrk n LEU 151 Cb 0.34 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.28 2wrk n LEU 151 CO 0.21 0.15 -0.41 -0.13 -1.33 0.00 0.00 177.39 175.87 2wrk s ARG 152 N -2.29 1.94 0.22 3.23 0.52 -1.18 -4.89 118.95 116.51 2wrk s ARG 152 Ca 0.04 -1.55 0.00 0.00 -0.52 0.00 0.00 55.73 53.70 2wrk s ARG 152 Cb 0.10 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.56 2wrk s ARG 152 CO 0.54 -0.71 0.00 1.63 0.02 0.00 0.00 175.30 176.78 2wrk n LYS 153 N 4.36 0.00 0.00 3.54 4.76 -1.26 -4.83 118.16 124.73 2wrk n LYS 153 Ca -0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 2wrk n LYS 153 Cb 0.42 -0.14 0.00 0.00 -1.84 0.00 0.00 35.03 33.47 2wrk n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wrk n GLY 154 N 2.04 -1.80 0.00 0.72 0.00 -1.26 -5.22 105.19 99.66 2wrk n GLY 154 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.66 2wrk n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11