#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh1 n PHE 6 N 0.00 0.00 0.08 2.11 3.01 -1.26 -5.00 117.46 116.40 2wh1 n PHE 6 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 2wh1 n PHE 6 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 2wh1 n PHE 6 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2wh1 h GLU 7 N 0.00 -0.20 -3.67 -1.08 4.57 -1.61 -3.46 114.58 109.13 2wh1 h GLU 7 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2wh1 h GLU 7 Cb 0.00 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.59 2wh1 h GLU 7 CO 0.00 -0.13 -0.52 -1.91 -1.18 0.00 0.00 179.01 175.27 2wh1 n GLU 8 N -2.61 -1.51 -4.25 1.92 2.13 -1.24 -4.91 120.64 110.17 2wh1 n GLU 8 Ca -0.03 1.47 -0.33 0.00 0.66 0.00 0.00 57.16 58.94 2wh1 n GLU 8 Cb 0.08 -2.38 -0.16 0.00 0.27 0.00 0.00 31.44 29.25 2wh1 n GLU 8 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2wh1 s LYS 9 N -0.85 3.11 -0.23 5.31 2.47 0.26 -4.95 119.74 124.87 2wh1 s LYS 9 Ca -0.09 -0.78 -0.23 0.00 -1.56 0.00 0.00 55.97 53.32 2wh1 s LYS 9 Cb 0.01 -2.64 -0.01 0.00 -1.46 0.00 0.00 37.83 33.72 2wh1 s LYS 9 CO 0.27 -0.13 0.74 0.00 0.16 0.00 0.00 175.35 176.38 2wh1 s MET 10 N 1.15 4.19 0.00 4.03 0.23 -1.26 -1.31 119.30 126.32 2wh1 s MET 10 Ca 0.01 0.78 0.00 0.00 -1.03 0.00 0.00 55.69 55.46 2wh1 s MET 10 Cb -0.14 -3.62 0.00 0.00 -1.53 0.00 0.00 34.83 29.54 2wh1 s MET 10 CO -0.07 -0.41 0.00 -0.89 -2.03 0.00 0.00 175.02 171.62 2wh1 n ILE 11 N 5.05 0.00 -2.09 3.16 5.41 0.20 -4.98 119.36 126.11 2wh1 n ILE 11 Ca 0.02 0.00 -0.40 0.00 1.00 0.00 0.00 62.75 63.37 2wh1 n ILE 11 Cb 0.48 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.40 2wh1 n ILE 11 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2wh1 s LEU 12 N 0.00 4.36 -0.27 1.39 1.98 -1.21 -4.80 118.68 120.13 2wh1 s LEU 12 Ca 0.00 2.68 -0.01 0.00 -2.89 0.00 0.00 54.13 53.92 2wh1 s LEU 12 Cb 0.00 -3.73 0.14 0.00 0.66 0.00 0.00 46.19 43.26 2wh1 s LEU 12 CO 0.00 -0.64 0.36 -0.63 -1.89 0.00 0.00 176.35 173.55 2wh1 s ILE 13 N -1.18 -0.56 0.35 6.68 1.09 -1.25 0.57 121.20 126.90 2wh1 s ILE 13 Ca 0.51 -0.23 0.09 0.00 -1.10 0.00 0.00 60.65 59.92 2wh1 s ILE 13 Cb -0.39 -0.90 -0.05 0.00 -1.06 0.00 0.00 42.46 40.06 2wh1 s ILE 13 CO 0.52 -0.25 0.07 0.00 -0.10 0.00 0.00 174.94 175.18 2wh1 s ARG 14 N 2.49 2.19 -0.67 2.79 1.70 -0.59 -4.90 118.95 121.96 2wh1 s ARG 14 Ca 0.11 -1.70 0.02 0.00 -0.47 0.00 0.00 55.73 53.69 2wh1 s ARG 14 Cb -0.14 -2.01 0.37 0.00 -0.57 0.00 0.00 34.95 32.60 2wh1 s ARG 14 CO -0.24 0.10 1.49 -2.13 -1.08 0.00 0.00 175.30 173.44 2wh1 n ARG 15 N -1.05 3.40 -1.34 3.89 0.63 -1.26 -0.72 116.66 120.21 2wh1 n ARG 15 Ca -0.03 -4.23 -0.37 0.00 -0.92 0.00 0.00 57.85 52.29 2wh1 n ARG 15 Cb 0.62 -2.28 0.05 0.00 0.45 0.00 0.00 32.46 31.30 2wh1 n ARG 15 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2wh1 n THR 16 N -0.42 1.67 -3.98 5.15 5.66 -1.16 -4.70 114.28 116.50 2wh1 n THR 16 Ca 0.44 -0.46 -0.09 0.00 -3.05 0.00 0.00 64.05 60.89 2wh1 n THR 16 Cb 0.43 -0.58 -0.11 0.00 -1.55 0.00 0.00 70.33 68.53 2wh1 n THR 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wh1 s ALA 17 N -1.84 0.12 -0.05 1.79 0.00 -1.26 -2.43 121.76 118.09 2wh1 s ALA 17 Ca 0.65 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 52.01 2wh1 s ALA 17 Cb -0.40 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 2wh1 s ALA 17 CO 0.59 -0.22 -0.16 -0.98 0.00 0.00 0.00 175.76 174.99 2wh1 s ARG 18 N -1.97 2.46 -0.04 0.00 1.70 -0.73 -5.02 118.95 115.35 2wh1 s ARG 18 Ca -0.11 -0.73 -0.24 0.00 -0.47 0.00 0.00 55.73 54.19 2wh1 s ARG 18 Cb -0.06 -2.34 -0.04 0.00 -0.57 0.00 0.00 34.95 31.94 2wh1 s ARG 18 CO -0.03 0.61 0.72 -1.64 -1.08 0.00 0.00 175.30 173.88 2wh1 s MET 19 N -0.70 4.44 -0.13 3.89 -1.94 -1.26 -1.82 119.30 121.79 2wh1 s MET 19 Ca 0.11 0.93 -0.10 0.00 -1.71 0.00 0.00 55.69 54.91 2wh1 s MET 19 Cb -0.11 -3.43 0.04 0.00 2.01 0.00 0.00 34.83 33.35 2wh1 s MET 19 CO 0.00 0.11 0.34 -1.14 -0.01 0.00 0.00 175.02 174.32 2wh1 s GLN 20 N 0.61 0.36 0.16 2.03 -0.44 -0.82 -4.95 119.66 116.62 2wh1 s GLN 20 Ca 0.38 0.53 -0.24 0.00 -2.50 0.00 0.00 55.36 53.54 2wh1 s GLN 20 Cb -0.18 0.11 -0.14 0.00 -1.64 0.00 0.00 33.01 31.15 2wh1 s GLN 20 CO 0.19 -0.08 0.44 0.00 0.50 0.00 0.00 175.29 176.34 2wh1 n ALA 21 N 3.35 -2.58 0.00 1.58 0.00 -1.26 -0.51 120.51 121.09 2wh1 n ALA 21 Ca -0.17 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2wh1 n ALA 21 Cb 0.57 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2wh1 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh1 n GLY 22 N 1.66 2.94 0.00 0.00 0.00 -1.26 -4.89 105.19 103.64 2wh1 n GLY 22 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2wh1 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh1 n GLY 23 N -0.14 -0.68 2.77 -0.02 0.00 0.34 -5.12 105.19 102.33 2wh1 n GLY 23 Ca 0.00 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 2wh1 n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wh1 s ARG 24 N -1.31 0.47 0.39 1.61 1.70 -1.26 -1.94 118.95 118.61 2wh1 s ARG 24 Ca 0.00 0.13 -0.05 0.00 -0.47 0.00 0.00 55.73 55.34 2wh1 s ARG 24 Cb 0.00 -0.82 -0.04 0.00 -0.57 0.00 0.00 34.95 33.52 2wh1 s ARG 24 CO 0.00 -0.27 0.66 0.50 -1.08 0.00 0.00 175.30 175.12 2wh1 s ARG 25 N 1.79 3.59 0.15 3.89 6.06 -0.75 -4.96 118.95 128.72 2wh1 s ARG 25 Ca 0.02 0.07 0.01 0.00 -2.50 0.00 0.00 55.73 53.32 2wh1 s ARG 25 Cb -0.13 -2.52 0.01 0.00 0.06 0.00 0.00 34.95 32.37 2wh1 s ARG 25 CO -0.04 0.02 0.06 1.19 -2.50 0.00 0.00 175.30 174.03 2wh1 n PHE 26 N -1.63 -0.56 0.00 5.12 3.01 -1.26 -1.78 117.46 120.36 2wh1 n PHE 26 Ca -0.01 -0.68 0.00 0.00 1.01 0.00 0.00 57.45 57.77 2wh1 n PHE 26 Cb 0.55 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.91 2wh1 n PHE 26 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2wh1 n ARG 27 N -0.65 0.00 -2.24 -1.08 0.63 -1.02 -4.83 116.66 107.47 2wh1 n ARG 27 Ca -0.03 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.64 2wh1 n ARG 27 Cb 0.18 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.14 2wh1 n ARG 27 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2wh1 s PHE 28 N 0.00 3.06 0.02 -0.14 0.40 -1.19 -2.99 117.98 117.14 2wh1 s PHE 28 Ca 0.00 0.56 -0.07 0.00 -0.60 0.00 0.00 56.93 56.82 2wh1 s PHE 28 Cb 0.00 -3.03 -0.00 0.00 0.51 0.00 0.00 43.02 40.50 2wh1 s PHE 28 CO 0.00 -1.19 0.12 0.20 0.70 0.00 0.00 175.22 175.05 2wh1 s GLY 29 N -4.43 0.09 -0.03 4.36 0.00 0.10 -2.66 107.32 104.74 2wh1 s GLY 29 Ca 0.58 -0.28 -0.01 0.00 0.00 0.00 0.00 44.72 45.00 2wh1 s GLY 29 CO 0.45 -0.42 0.07 0.00 0.00 0.00 0.00 173.10 173.20 2wh1 s ALA 30 N -1.83 -0.03 -0.45 3.20 0.00 -0.70 -1.55 121.76 120.40 2wh1 s ALA 30 Ca -0.11 0.41 -0.14 0.00 0.00 0.00 0.00 51.96 52.11 2wh1 s ALA 30 Cb -0.05 -0.30 0.06 0.00 0.00 0.00 0.00 23.12 22.83 2wh1 s ALA 30 CO -0.01 -0.12 0.35 -1.17 0.00 0.00 0.00 175.76 174.81 2wh1 s LEU 31 N 1.05 5.41 0.04 0.00 1.98 0.19 -2.19 118.68 125.15 2wh1 s LEU 31 Ca -0.09 -1.25 0.03 0.00 -2.89 0.00 0.00 54.13 49.93 2wh1 s LEU 31 Cb -0.12 -2.14 -0.04 0.00 0.66 0.00 0.00 46.19 44.55 2wh1 s LEU 31 CO -0.04 -0.58 0.02 -0.69 -1.89 0.00 0.00 176.35 173.17 2wh1 s VAL 32 N 1.61 4.20 -0.04 1.68 1.01 -0.35 -0.63 120.40 127.89 2wh1 s VAL 32 Ca 0.04 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.36 2wh1 s VAL 32 Cb -0.23 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 2wh1 s VAL 32 CO 0.07 0.26 -0.26 -0.69 0.00 0.00 0.00 175.10 174.48 2wh1 s VAL 33 N -1.21 2.06 -0.00 2.92 1.01 -0.43 -1.97 120.40 122.77 2wh1 s VAL 33 Ca 0.23 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2wh1 s VAL 33 Cb -0.12 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2wh1 s VAL 33 CO 0.15 0.58 -0.01 -0.69 0.00 0.00 0.00 175.10 175.12 2wh1 s VAL 34 N -0.41 0.10 -0.21 2.92 1.01 -0.85 0.90 120.40 123.87 2wh1 s VAL 34 Ca 0.04 -0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.70 2wh1 s VAL 34 Cb -0.12 -0.11 0.13 0.00 0.00 0.00 0.00 36.38 36.28 2wh1 s VAL 34 CO 0.01 0.04 1.03 -0.83 0.00 0.00 0.00 175.10 175.35 2wh1 s GLY 35 N 0.07 -0.20 0.42 4.51 0.00 -1.26 0.18 107.32 111.04 2wh1 s GLY 35 Ca -0.00 2.31 0.22 0.00 0.00 0.00 0.00 44.72 47.25 2wh1 s GLY 35 CO -0.00 1.33 1.78 1.29 0.00 0.00 0.00 173.10 177.49 2wh1 h ASP 36 N 3.10 0.00 0.00 1.64 -0.00 -1.43 -1.69 116.42 118.05 2wh1 h ASP 36 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.81 2wh1 h ASP 36 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.50 2wh1 h ASP 36 CO 0.24 0.26 0.00 0.54 -0.00 0.00 0.00 179.24 180.28 2wh1 n ARG 37 N -3.40 0.00 -0.01 4.15 1.74 0.49 -4.80 116.66 114.84 2wh1 n ARG 37 Ca 0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.17 2wh1 n ARG 37 Cb 0.47 -1.57 -0.12 0.00 -1.02 0.00 0.00 32.46 30.21 2wh1 n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2wh1 n GLN 38 N -2.28 0.76 0.00 5.56 1.13 -1.25 -3.94 117.38 117.36 2wh1 n GLN 38 Ca 0.00 -0.12 0.00 0.00 -1.94 0.00 0.00 57.00 54.94 2wh1 n GLN 38 Cb 0.00 -1.38 0.00 0.00 0.11 0.00 0.00 30.24 28.97 2wh1 n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wh1 n GLY 39 N 1.49 -0.76 3.29 1.08 0.00 -0.83 -4.95 105.19 104.51 2wh1 n GLY 39 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 2wh1 n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh1 s ARG 40 N 0.00 1.98 -0.20 1.61 0.52 -1.26 -0.11 118.95 121.49 2wh1 s ARG 40 Ca 0.00 -0.89 -0.14 0.00 -0.52 0.00 0.00 55.73 54.17 2wh1 s ARG 40 Cb 0.00 -1.93 0.06 0.00 0.52 0.00 0.00 34.95 33.60 2wh1 s ARG 40 CO 0.00 0.53 0.51 0.14 0.02 0.00 0.00 175.30 176.49 2wh1 s VAL 41 N -0.59 -0.01 -0.25 3.52 -7.23 -1.23 -1.96 120.40 112.65 2wh1 s VAL 41 Ca 0.10 0.03 0.02 0.00 -1.81 0.00 0.00 61.98 60.32 2wh1 s VAL 41 Cb -0.09 -0.73 0.06 0.00 0.56 0.00 0.00 36.38 36.18 2wh1 s VAL 41 CO -0.01 0.01 -0.07 -0.83 -0.31 0.00 0.00 175.10 173.90 2wh1 s GLY 42 N 0.92 1.47 -0.33 2.32 0.00 0.47 -1.35 107.32 110.83 2wh1 s GLY 42 Ca -0.05 -1.59 -0.16 0.00 0.00 0.00 0.00 44.72 42.91 2wh1 s GLY 42 CO -0.08 0.81 0.42 -2.27 0.00 0.00 0.00 173.10 171.98 2wh1 s LEU 43 N 1.25 4.31 0.04 0.66 2.96 -0.99 -2.01 118.68 124.90 2wh1 s LEU 43 Ca -0.06 -0.03 0.05 0.00 -0.22 0.00 0.00 54.13 53.87 2wh1 s LEU 43 Cb -0.19 -2.45 -0.02 0.00 0.50 0.00 0.00 46.19 44.02 2wh1 s LEU 43 CO -0.06 -0.35 -0.14 -0.83 -1.32 0.00 0.00 176.35 173.64 2wh1 s GLY 44 N 1.72 0.82 -0.11 7.98 0.00 -0.83 -4.60 107.32 112.29 2wh1 s GLY 44 Ca 0.15 -0.86 -0.01 0.00 0.00 0.00 0.00 44.72 44.01 2wh1 s GLY 44 CO 0.12 -0.84 -0.07 -0.12 0.00 0.00 0.00 173.10 172.19 2wh1 s PHE 45 N -0.90 1.38 0.02 1.90 5.36 -1.26 -1.21 117.98 123.27 2wh1 s PHE 45 Ca 0.01 -0.67 -0.06 0.00 -0.96 0.00 0.00 56.93 55.25 2wh1 s PHE 45 Cb -0.08 -1.18 -0.00 0.00 -0.34 0.00 0.00 43.02 41.41 2wh1 s PHE 45 CO 0.01 -0.49 0.11 0.20 -1.46 0.00 0.00 175.22 173.59 2wh1 s GLY 46 N 1.73 0.11 0.15 13.12 0.00 -0.93 -4.90 107.32 116.60 2wh1 s GLY 46 Ca 0.05 -0.32 0.05 0.00 0.00 0.00 0.00 44.72 44.50 2wh1 s GLY 46 CO -0.08 -0.45 -0.11 0.54 0.00 0.00 0.00 173.10 173.00 2wh1 s LYS 47 N -1.83 1.09 0.01 2.90 3.01 -1.26 -1.72 119.74 121.94 2wh1 s LYS 47 Ca -0.11 -1.44 -0.29 0.00 -1.01 0.00 0.00 55.97 53.12 2wh1 s LYS 47 Cb -0.06 -0.72 0.10 0.00 -1.01 0.00 0.00 37.83 36.15 2wh1 s LYS 47 CO -0.01 0.10 0.92 0.00 0.51 0.00 0.00 175.35 176.87 2wh1 s ALA 48 N -3.14 -1.82 -0.87 5.17 0.00 -1.09 -4.78 121.76 115.24 2wh1 s ALA 48 Ca 0.16 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.03 2wh1 s ALA 48 Cb 0.01 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.56 2wh1 s ALA 48 CO 0.02 -0.74 0.00 -2.30 0.00 0.00 0.00 175.76 172.74 2wh1 n PRO 49 N -0.27 0.00 -3.54 0.00 -0.02 -1.26 -3.15 135.00 126.76 2wh1 n PRO 49 Ca -0.08 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.32 2wh1 n PRO 49 Cb 0.61 -0.95 -0.03 0.00 -0.02 0.00 0.00 33.50 33.12 2wh1 n PRO 49 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2wh1 s GLU 50 N -0.87 0.67 0.05 -0.52 2.56 -1.26 -4.83 118.70 114.51 2wh1 s GLU 50 Ca 0.00 -0.14 -0.36 0.00 0.00 0.00 0.00 54.97 54.48 2wh1 s GLU 50 Cb 0.00 0.31 -0.20 0.00 2.00 0.00 0.00 34.13 36.25 2wh1 s GLU 50 CO 0.00 -0.27 1.51 0.28 -0.56 0.00 0.00 175.26 176.22 2wh1 h VAL 51 N 2.17 0.00 0.00 3.70 2.07 -1.93 -2.33 116.25 119.93 2wh1 h VAL 51 Ca -0.19 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2wh1 h VAL 51 Cb 1.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2wh1 h VAL 51 CO 0.30 0.00 0.00 -2.65 0.02 0.00 0.00 177.57 175.24 2wh1 n PRO 52 N -5.52 0.00 -0.06 1.57 -0.02 -1.26 -0.61 135.00 129.11 2wh1 n PRO 52 Ca -0.16 0.69 -0.04 0.00 -2.02 0.00 0.00 63.50 61.98 2wh1 n PRO 52 Cb 0.51 -1.12 -0.03 0.00 -0.02 0.00 0.00 33.50 32.84 2wh1 n PRO 52 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2wh1 h LEU 53 N 0.00 -0.55 -0.98 2.45 4.07 -1.95 -1.25 115.31 117.10 2wh1 h LEU 53 Ca 0.00 0.07 0.25 0.00 0.08 0.00 0.00 57.88 58.29 2wh1 h LEU 53 Cb 0.00 0.23 -0.18 0.00 1.08 0.00 0.00 40.66 41.79 2wh1 h LEU 53 CO 0.00 -0.11 -0.04 0.00 -1.08 0.00 0.00 178.44 177.21 2wh1 n ALA 54 N -2.87 0.44 0.35 1.53 0.00 -0.87 0.20 120.51 119.29 2wh1 n ALA 54 Ca -0.01 1.06 -0.17 0.00 0.00 0.00 0.00 53.44 54.32 2wh1 n ALA 54 Cb 0.09 -0.74 -0.09 0.00 0.00 0.00 0.00 19.45 18.71 2wh1 n ALA 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wh1 h VAL 55 N 0.00 0.36 0.72 0.00 2.07 0.11 -0.77 116.25 118.74 2wh1 h VAL 55 Ca 0.57 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 68.01 2wh1 h VAL 55 Cb 1.11 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2wh1 h VAL 55 CO -0.94 0.01 -0.38 -0.61 0.02 0.00 0.00 177.57 175.66 2wh1 h GLN 56 N -0.89 -0.98 -0.85 1.57 -0.00 0.45 -2.57 115.11 111.85 2wh1 h GLN 56 Ca -0.09 0.07 0.34 0.00 -0.00 0.00 0.00 58.65 58.97 2wh1 h GLN 56 Cb 0.67 0.22 -0.15 0.00 0.00 0.00 0.00 27.48 28.22 2wh1 h GLN 56 CO 0.14 -0.65 0.39 1.17 0.00 0.00 0.00 178.83 179.88 2wh1 n LYS 57 N -4.86 -0.05 -0.07 1.69 4.81 0.54 0.56 118.16 120.77 2wh1 n LYS 57 Ca -0.13 1.19 -0.11 0.00 -0.87 0.00 0.00 58.31 58.39 2wh1 n LYS 57 Cb 0.41 -2.09 -0.04 0.00 0.02 0.00 0.00 35.03 33.32 2wh1 n LYS 57 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wh1 h ALA 58 N 1.70 0.30 -0.89 3.14 0.00 -0.74 -2.74 119.26 120.04 2wh1 h ALA 58 Ca 0.69 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.46 2wh1 h ALA 58 Cb 1.78 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 2wh1 h ALA 58 CO -0.68 -0.04 0.58 0.78 0.00 0.00 0.00 179.25 179.89 2wh1 h GLY 59 N 0.19 1.28 0.07 0.00 0.00 0.36 -1.29 103.07 103.69 2wh1 h GLY 59 Ca 0.07 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 46.96 2wh1 h GLY 59 CO 0.00 0.40 -0.32 -1.82 0.00 0.00 0.00 176.54 174.80 2wh1 h TYR 60 N 1.14 -0.93 0.00 5.60 3.20 -1.23 0.35 116.97 125.11 2wh1 h TYR 60 Ca 0.35 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.24 2wh1 h TYR 60 Cb -0.04 0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.62 2wh1 h TYR 60 CO -0.01 -0.36 0.36 1.88 -1.64 0.00 0.00 178.16 178.38 2wh1 h TYR 61 N -0.46 0.00 0.06 -3.82 0.05 -1.18 0.69 116.97 112.31 2wh1 h TYR 61 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 2wh1 h TYR 61 Cb 0.46 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.20 2wh1 h TYR 61 CO -0.39 0.00 -0.03 0.00 -1.05 0.00 0.00 178.16 176.69 2wh1 h ALA 62 N 1.20 -0.08 0.00 3.88 0.00 0.81 -3.14 119.26 121.93 2wh1 h ALA 62 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2wh1 h ALA 62 Cb 0.72 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2wh1 h ALA 62 CO 0.00 -0.13 0.21 0.00 0.00 0.00 0.00 179.25 179.33 2wh1 h ARG 63 N -0.90 0.00 -0.00 0.00 3.08 0.85 0.53 114.38 117.94 2wh1 h ARG 63 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2wh1 h ARG 63 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2wh1 h ARG 63 CO 0.01 0.00 -0.11 -2.13 -1.07 0.00 0.00 179.97 176.67 2wh1 n ARG 64 N -2.94 0.72 -3.35 0.04 3.00 -0.99 -4.45 116.66 108.70 2wh1 n ARG 64 Ca -0.02 -0.26 -0.23 0.00 -0.00 0.00 0.00 57.85 57.34 2wh1 n ARG 64 Cb 0.26 -1.49 -0.09 0.00 0.00 0.00 0.00 32.46 31.14 2wh1 n ARG 64 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 2wh1 s ASN 65 N -2.45 1.56 0.16 6.15 2.47 0.19 -5.09 114.94 117.91 2wh1 s ASN 65 Ca 0.29 -2.34 0.10 0.00 0.42 0.00 0.00 52.86 51.33 2wh1 s ASN 65 Cb 0.20 0.02 -0.04 0.00 -1.45 0.00 0.00 41.25 39.98 2wh1 s ASN 65 CO 0.47 -0.22 -0.23 -0.04 -3.72 0.00 0.00 177.10 173.36 2wh1 s MET 66 N 0.75 1.38 0.02 0.43 -1.94 -1.25 -2.34 119.30 116.35 2wh1 s MET 66 Ca 0.24 -1.40 0.02 0.00 -1.71 0.00 0.00 55.69 52.85 2wh1 s MET 66 Cb -0.09 -1.70 -0.01 0.00 2.01 0.00 0.00 34.83 35.04 2wh1 s MET 66 CO -0.08 0.38 -0.07 0.54 -0.01 0.00 0.00 175.02 175.78 2wh1 s VAL 67 N -1.47 0.50 -0.06 -6.03 0.11 -0.45 -4.93 120.40 108.06 2wh1 s VAL 67 Ca 0.16 -0.68 -0.30 0.00 -2.93 0.00 0.00 61.98 58.23 2wh1 s VAL 67 Cb -0.08 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 2wh1 s VAL 67 CO 0.07 -0.13 1.39 -1.83 -3.33 0.00 0.00 175.10 171.27 2wh1 s GLU 68 N -0.88 4.26 -0.33 1.54 4.04 -1.26 -3.48 118.70 122.58 2wh1 s GLU 68 Ca -0.04 1.89 -0.13 0.00 0.04 0.00 0.00 54.97 56.73 2wh1 s GLU 68 Cb -0.06 -3.71 -0.02 0.00 0.02 0.00 0.00 34.13 30.36 2wh1 s GLU 68 CO 0.00 -0.65 0.27 0.08 -1.84 0.00 0.00 175.26 173.13 2wh1 s VAL 69 N 3.01 5.25 0.00 1.83 1.01 0.84 -4.79 120.40 127.56 2wh1 s VAL 69 Ca 0.62 -0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.53 2wh1 s VAL 69 Cb -0.28 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 2wh1 s VAL 69 CO 0.23 0.00 0.60 -2.65 0.00 0.00 0.00 175.10 173.29 2wh1 n PRO 70 N 5.19 0.16 -1.54 2.72 -0.02 -1.26 -4.80 135.00 135.45 2wh1 n PRO 70 Ca -0.12 -0.06 -0.40 0.00 -2.02 0.00 0.00 63.50 60.90 2wh1 n PRO 70 Cb 0.50 -1.52 -0.05 0.00 -0.02 0.00 0.00 33.50 32.41 2wh1 n PRO 70 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wh1 n LEU 71 N 2.62 2.25 -3.62 2.45 4.77 -1.26 -4.01 117.00 120.20 2wh1 n LEU 71 Ca 0.03 -0.20 -0.39 0.00 -0.03 0.00 0.00 56.01 55.42 2wh1 n LEU 71 Cb 0.08 -1.47 0.01 0.00 -2.33 0.00 0.00 43.42 39.70 2wh1 n LEU 71 CO 0.16 -1.22 1.15 0.00 -1.33 0.00 0.00 177.39 176.15 2wh1 n GLN 72 N 8.82 4.85 0.00 3.23 6.02 -1.26 -4.54 117.38 134.49 2wh1 n GLN 72 Ca 0.39 -4.67 0.00 0.00 -0.01 0.00 0.00 57.00 52.71 2wh1 n GLN 72 Cb 0.44 -2.44 0.00 0.00 1.02 0.00 0.00 30.24 29.25 2wh1 n GLN 72 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2wh1 n ASN 73 N 0.25 0.00 -3.70 1.08 4.05 -1.26 -4.58 115.26 111.10 2wh1 n ASN 73 Ca 0.40 0.00 -0.27 0.00 0.45 0.00 0.00 54.58 55.15 2wh1 n ASN 73 Cb 0.30 0.00 0.04 0.00 1.23 0.00 0.00 39.78 41.35 2wh1 n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2wh1 n GLY 74 N 0.00 -0.51 0.00 8.20 0.00 -1.26 -4.85 105.19 106.76 2wh1 n GLY 74 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2wh1 n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2wh1 n THR 75 N -4.70 0.00 -3.73 2.61 5.66 -1.26 0.26 114.28 113.12 2wh1 n THR 75 Ca 0.02 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.89 2wh1 n THR 75 Cb 0.54 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.22 2wh1 n THR 75 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2wh1 s ILE 76 N 1.72 -0.01 0.04 1.09 2.07 -1.26 -4.26 121.20 120.59 2wh1 s ILE 76 Ca 0.00 0.02 -0.09 0.00 -1.41 0.00 0.00 60.65 59.17 2wh1 s ILE 76 Cb 0.00 -0.56 -0.03 0.00 0.13 0.00 0.00 42.46 42.00 2wh1 s ILE 76 CO 0.00 0.01 1.15 1.55 -1.91 0.00 0.00 174.94 175.74 2wh1 h PRO 77 N 5.84 -0.11 0.00 3.50 0.13 -1.89 -3.43 132.00 136.04 2wh1 h PRO 77 Ca -0.29 0.01 -0.28 0.00 -0.87 0.00 0.00 66.00 64.57 2wh1 h PRO 77 Cb 1.18 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 2wh1 h PRO 77 CO 0.27 -0.07 -0.22 -2.39 -0.23 0.00 0.00 178.00 175.36 2wh1 n HIS 78 N -3.45 0.36 -4.00 1.56 1.44 -1.26 -4.99 115.22 104.88 2wh1 n HIS 78 Ca -0.01 -1.16 -0.33 0.00 -2.01 0.00 0.00 57.72 54.21 2wh1 n HIS 78 Cb 0.10 -0.10 -0.06 0.00 0.12 0.00 0.00 29.99 30.05 2wh1 n HIS 78 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2wh1 s GLU 79 N -2.79 3.26 0.05 -1.40 8.01 -1.26 -4.56 118.70 120.01 2wh1 s GLU 79 Ca 0.04 -0.40 -0.05 0.00 0.01 0.00 0.00 54.97 54.57 2wh1 s GLU 79 Cb 0.00 -2.98 -0.02 0.00 -4.31 0.00 0.00 34.13 26.82 2wh1 s GLU 79 CO 0.03 0.66 0.08 0.96 0.01 0.00 0.00 175.26 177.00 2wh1 s ILE 80 N -1.26 0.16 -0.13 -1.63 -4.36 -0.56 -4.97 121.20 108.45 2wh1 s ILE 80 Ca 0.25 -1.28 -0.00 0.00 -0.26 0.00 0.00 60.65 59.36 2wh1 s ILE 80 Cb -0.12 -1.12 0.03 0.00 1.25 0.00 0.00 42.46 42.49 2wh1 s ILE 80 CO 0.16 -0.71 -0.10 -1.61 0.24 0.00 0.00 174.94 172.93 2wh1 s GLU 81 N -3.16 1.77 -0.15 0.37 2.02 -1.26 -0.64 118.70 117.65 2wh1 s GLU 81 Ca -0.00 -0.39 0.02 0.00 0.02 0.00 0.00 54.97 54.62 2wh1 s GLU 81 Cb 0.02 -1.81 0.01 0.00 0.10 0.00 0.00 34.13 32.46 2wh1 s GLU 81 CO -0.07 -0.28 -0.21 0.08 0.02 0.00 0.00 175.26 174.80 2wh1 s VAL 82 N 1.63 2.04 -0.19 2.63 1.01 -0.49 -4.97 120.40 122.06 2wh1 s VAL 82 Ca 0.04 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 60.98 2wh1 s VAL 82 Cb -0.13 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 2wh1 s VAL 82 CO -0.09 0.54 0.11 -1.61 0.00 0.00 0.00 175.10 174.05 2wh1 s GLU 83 N 0.99 4.04 -0.44 2.72 2.02 -1.26 -2.21 118.70 124.56 2wh1 s GLU 83 Ca -0.03 -0.25 0.03 0.00 0.02 0.00 0.00 54.97 54.74 2wh1 s GLU 83 Cb -0.15 -3.33 0.16 0.00 0.10 0.00 0.00 34.13 30.91 2wh1 s GLU 83 CO -0.06 0.34 0.32 0.12 0.02 0.00 0.00 175.26 176.00 2wh1 s PHE 84 N 0.22 1.49 0.00 1.61 5.36 0.10 -5.01 117.98 121.75 2wh1 s PHE 84 Ca 0.07 -2.33 0.00 0.00 -0.96 0.00 0.00 56.93 53.72 2wh1 s PHE 84 Cb -0.11 -1.31 0.00 0.00 -0.34 0.00 0.00 43.02 41.25 2wh1 s PHE 84 CO -0.01 -0.78 0.00 0.41 -1.46 0.00 0.00 175.22 173.38 2wh1 n GLY 85 N 3.10 1.70 0.64 13.12 0.00 -1.26 -3.00 105.19 119.49 2wh1 n GLY 85 Ca 0.21 -0.73 0.10 0.00 0.00 0.00 0.00 46.02 45.61 2wh1 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh1 n ALA 86 N 6.44 3.02 -2.60 4.61 0.00 -1.26 -4.87 120.51 125.85 2wh1 n ALA 86 Ca 0.00 -0.64 -0.39 0.00 0.00 0.00 0.00 53.44 52.41 2wh1 n ALA 86 Cb 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 19.45 18.62 2wh1 n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2wh1 s SER 87 N -2.10 6.16 0.31 0.00 0.01 -1.16 0.54 113.70 117.46 2wh1 s SER 87 Ca 0.21 0.17 0.11 0.00 1.31 0.00 0.00 55.95 57.74 2wh1 s SER 87 Cb 0.17 -2.17 -0.06 0.00 0.21 0.00 0.00 66.02 64.18 2wh1 s SER 87 CO 0.42 -0.12 -0.12 -0.75 0.41 0.00 0.00 173.24 173.07 2wh1 s LYS 88 N 1.90 1.83 -0.23 12.44 2.20 -0.73 0.03 119.74 137.17 2wh1 s LYS 88 Ca 0.12 -1.80 -0.21 0.00 -0.36 0.00 0.00 55.97 53.71 2wh1 s LYS 88 Cb -0.16 -1.80 0.06 0.00 -1.51 0.00 0.00 37.83 34.43 2wh1 s LYS 88 CO 0.10 0.24 0.62 -1.50 -0.36 0.00 0.00 175.35 174.45 2wh1 s ILE 89 N -2.53 -0.00 0.10 5.43 2.07 -0.94 -2.20 121.20 123.13 2wh1 s ILE 89 Ca 0.32 0.00 0.09 0.00 -1.41 0.00 0.00 60.65 59.65 2wh1 s ILE 89 Cb -0.02 -0.86 -0.04 0.00 0.13 0.00 0.00 42.46 41.68 2wh1 s ILE 89 CO 0.16 0.00 -0.23 0.68 -1.91 0.00 0.00 174.94 173.65 2wh1 s VAL 90 N 0.38 2.51 -0.09 4.00 -7.23 -0.41 -1.40 120.40 118.16 2wh1 s VAL 90 Ca -0.00 -1.52 -0.01 0.00 -1.81 0.00 0.00 61.98 58.63 2wh1 s VAL 90 Cb -0.04 -2.10 0.03 0.00 0.56 0.00 0.00 36.38 34.83 2wh1 s VAL 90 CO 0.00 0.18 -0.02 -0.76 -0.31 0.00 0.00 175.10 174.19 2wh1 s LEU 91 N -1.85 0.79 -0.21 1.32 1.02 0.19 -2.68 118.68 117.27 2wh1 s LEU 91 Ca 0.15 -0.19 0.00 0.00 0.02 0.00 0.00 54.13 54.11 2wh1 s LEU 91 Cb -0.10 -0.56 0.05 0.00 0.02 0.00 0.00 46.19 45.60 2wh1 s LEU 91 CO 0.07 -0.18 -0.07 -0.75 0.02 0.00 0.00 176.35 175.44 2wh1 s LYS 92 N 1.89 1.68 0.74 1.70 2.20 0.11 -1.50 119.74 126.57 2wh1 s LYS 92 Ca 0.05 -0.81 -0.15 0.00 -0.36 0.00 0.00 55.97 54.70 2wh1 s LYS 92 Cb -0.13 -2.38 0.05 0.00 -1.51 0.00 0.00 37.83 33.86 2wh1 s LYS 92 CO -0.06 -0.50 1.20 -1.25 -0.36 0.00 0.00 175.35 174.38 2wh1 s PRO 93 N 1.47 2.08 0.32 4.03 0.04 -1.26 -0.19 135.00 141.48 2wh1 s PRO 93 Ca -0.03 1.74 0.05 0.00 0.04 0.00 0.00 61.00 62.80 2wh1 s PRO 93 Cb -0.17 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2wh1 s PRO 93 CO -0.07 -1.88 0.29 0.00 0.04 0.00 0.00 177.00 175.39 2wh1 s ALA 94 N -2.04 1.62 0.47 8.56 0.00 -1.19 -4.76 121.76 124.42 2wh1 s ALA 94 Ca 0.74 -1.95 -0.17 0.00 0.00 0.00 0.00 51.96 50.57 2wh1 s ALA 94 Cb -0.29 1.42 -0.09 0.00 0.00 0.00 0.00 23.12 24.17 2wh1 s ALA 94 CO 0.46 -0.68 0.93 0.00 0.00 0.00 0.00 175.76 176.48 2wh1 s ALA 95 N -3.46 3.11 0.48 0.00 0.00 -1.26 -4.84 121.76 115.79 2wh1 s ALA 95 Ca 0.39 0.19 -0.23 0.00 0.00 0.00 0.00 51.96 52.31 2wh1 s ALA 95 Cb 0.02 -3.06 -0.09 0.00 0.00 0.00 0.00 23.12 20.00 2wh1 s ALA 95 CO 0.25 -0.08 1.05 -2.30 0.00 0.00 0.00 175.76 174.68 2wh1 n PRO 96 N -1.22 1.33 -1.11 0.00 -0.02 -1.26 -3.59 135.00 129.13 2wh1 n PRO 96 Ca 0.06 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2wh1 n PRO 96 Cb 0.54 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 2wh1 n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wh1 n GLY 97 N 1.14 1.09 0.73 -1.23 0.00 -1.26 -5.00 105.19 100.65 2wh1 n GLY 97 Ca 0.10 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 2wh1 n GLY 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wh1 n THR 98 N -1.82 0.65 0.00 2.61 -1.04 -1.24 -5.15 114.28 108.30 2wh1 n THR 98 Ca 0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2wh1 n THR 98 Cb 0.24 -1.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.09 2wh1 n THR 98 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wh1 n GLY 99 N 2.53 -1.46 2.89 3.41 0.00 -1.18 -4.80 105.19 106.59 2wh1 n GLY 99 Ca -0.15 -2.12 -0.31 0.00 0.00 0.00 0.00 46.02 43.44 2wh1 n GLY 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wh1 n VAL 100 N -0.02 2.43 -2.15 1.61 0.31 -1.21 -2.36 118.33 116.93 2wh1 n VAL 100 Ca 0.00 -5.07 -0.36 0.00 -0.01 0.00 0.00 64.34 58.89 2wh1 n VAL 100 Cb 0.00 -2.23 -0.03 0.00 -0.91 0.00 0.00 33.84 30.66 2wh1 n VAL 100 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2wh1 s ILE 101 N -1.69 3.47 0.24 2.52 -0.00 -1.17 -4.88 121.20 119.68 2wh1 s ILE 101 Ca 0.29 0.05 -0.12 0.00 -0.00 0.00 0.00 60.65 60.88 2wh1 s ILE 101 Cb -0.01 -4.18 -0.01 0.00 -0.00 0.00 0.00 42.46 38.26 2wh1 s ILE 101 CO -0.11 -1.13 0.45 0.00 -0.00 0.00 0.00 174.94 174.14 2wh1 s ALA 102 N 8.52 -0.10 0.82 2.27 0.00 -1.26 -1.88 121.76 130.13 2wh1 s ALA 102 Ca 0.61 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 51.50 2wh1 s ALA 102 Cb -0.10 1.10 0.08 0.00 0.00 0.00 0.00 23.12 24.21 2wh1 s ALA 102 CO 0.13 -0.83 1.09 0.20 0.00 0.00 0.00 175.76 176.35 2wh1 s GLY 103 N -3.03 1.65 0.00 0.00 0.00 -1.26 -4.82 107.32 99.85 2wh1 s GLY 103 Ca 0.24 0.10 0.00 0.00 0.00 0.00 0.00 44.72 45.06 2wh1 s GLY 103 CO 0.09 0.51 0.47 0.00 0.00 0.00 0.00 173.10 174.17 2wh1 n ALA 104 N -3.64 1.43 -0.00 3.20 0.00 -1.26 -2.44 120.51 117.80 2wh1 n ALA 104 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.48 2wh1 n ALA 104 Cb 0.54 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 2wh1 n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wh1 n VAL 105 N -0.97 0.83 0.16 0.00 0.31 -1.26 -3.99 118.33 113.41 2wh1 n VAL 105 Ca 0.00 0.15 0.10 0.00 -0.01 0.00 0.00 64.34 64.58 2wh1 n VAL 105 Cb 0.00 -1.67 0.54 0.00 -0.91 0.00 0.00 33.84 31.80 2wh1 n VAL 105 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2wh1 n PRO 106 N -3.49 0.13 -0.02 5.55 -0.04 -1.19 -2.39 135.00 133.54 2wh1 n PRO 106 Ca -0.07 0.62 -0.01 0.00 -0.04 0.00 0.00 63.50 64.01 2wh1 n PRO 106 Cb 0.33 -1.97 -0.00 0.00 -0.04 0.00 0.00 33.50 31.82 2wh1 n PRO 106 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2wh1 h ARG 107 N 0.00 0.00 -0.04 0.54 2.43 -1.73 -2.69 114.38 112.89 2wh1 h ARG 107 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2wh1 h ARG 107 Cb 0.09 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2wh1 h ARG 107 CO 0.00 0.00 0.95 0.00 -1.51 0.00 0.00 179.97 179.41 2wh1 n ALA 108 N -2.55 0.04 -0.06 2.80 0.00 -1.00 0.39 120.51 120.13 2wh1 n ALA 108 Ca -0.01 0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2wh1 n ALA 108 Cb 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 2wh1 n ALA 108 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wh1 n ILE 109 N -2.41 1.16 0.22 0.00 5.41 -1.12 -4.00 119.36 118.61 2wh1 n ILE 109 Ca 0.01 0.25 0.17 0.00 1.00 0.00 0.00 62.75 64.18 2wh1 n ILE 109 Cb 0.96 -2.21 0.73 0.00 -0.71 0.00 0.00 39.64 38.42 2wh1 n ILE 109 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2wh1 h LEU 110 N -0.80 0.00 0.27 1.39 3.38 0.29 -0.47 115.31 119.36 2wh1 h LEU 110 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2wh1 h LEU 110 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2wh1 h LEU 110 CO 0.00 0.00 -0.13 -0.08 0.09 0.00 0.00 178.44 178.32 2wh1 h GLU 111 N 0.00 -0.34 0.00 1.13 4.81 -0.25 -1.97 114.58 117.95 2wh1 h GLU 111 Ca 0.10 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2wh1 h GLU 111 Cb 0.98 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 2wh1 h GLU 111 CO -0.00 0.00 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.19 2wh1 h LEU 112 N -0.78 0.00 -1.37 1.64 3.38 -1.32 0.21 115.31 117.07 2wh1 h LEU 112 Ca -0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2wh1 h LEU 112 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2wh1 h LEU 112 CO 0.06 0.03 -0.23 0.00 0.09 0.00 0.00 178.44 178.38 2wh1 h ALA 113 N 1.97 1.13 -1.26 1.53 0.00 -1.07 0.14 119.26 121.71 2wh1 h ALA 113 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2wh1 h ALA 113 Cb 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2wh1 h ALA 113 CO 0.00 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.95 2wh1 n GLY 114 N -0.17 0.83 3.61 0.00 0.00 0.73 -1.96 105.19 108.23 2wh1 n GLY 114 Ca -0.01 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 2wh1 n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh1 s VAL 115 N -2.35 2.57 0.00 1.61 1.01 -0.78 -4.61 120.40 117.85 2wh1 s VAL 115 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 59.96 2wh1 s VAL 115 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.62 2wh1 s VAL 115 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 175.10 175.30 2wh1 n THR 116 N -0.92 0.00 -3.91 3.92 -1.04 0.14 -4.80 114.28 107.68 2wh1 n THR 116 Ca -0.04 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.66 2wh1 n THR 116 Cb 0.62 -0.56 -0.15 0.00 -1.82 0.00 0.00 70.33 68.42 2wh1 n THR 116 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2wh1 s ASP 117 N -4.13 4.48 -0.15 8.00 1.01 -1.13 -3.09 116.67 121.65 2wh1 s ASP 117 Ca 0.00 -1.98 -0.09 0.00 0.71 0.00 0.00 52.55 51.19 2wh1 s ASP 117 Cb 0.00 -1.34 0.05 0.00 1.01 0.00 0.00 42.92 42.64 2wh1 s ASP 117 CO 0.00 -0.39 0.36 -0.51 0.21 0.00 0.00 175.17 174.84 2wh1 s ILE 118 N 1.14 -0.02 -0.09 0.77 1.10 -1.00 -3.17 121.20 119.93 2wh1 s ILE 118 Ca 0.11 0.09 -0.17 0.00 -0.51 0.00 0.00 60.65 60.17 2wh1 s ILE 118 Cb -0.18 -0.53 -0.05 0.00 0.15 0.00 0.00 42.46 41.84 2wh1 s ILE 118 CO -0.14 0.04 0.44 -0.76 -2.11 0.00 0.00 174.94 172.40 2wh1 s LEU 119 N 1.16 4.33 0.43 8.50 1.43 0.73 -3.05 118.68 132.20 2wh1 s LEU 119 Ca -0.08 0.83 0.03 0.00 -1.03 0.00 0.00 54.13 53.88 2wh1 s LEU 119 Cb -0.08 -2.63 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 2wh1 s LEU 119 CO -0.09 0.10 0.12 0.42 0.23 0.00 0.00 176.35 177.13 2wh1 s THR 120 N 0.12 0.65 -0.30 5.49 -4.23 -0.79 0.09 115.64 116.67 2wh1 s THR 120 Ca 0.24 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.59 2wh1 s THR 120 Cb -0.15 -2.30 0.20 0.00 1.34 0.00 0.00 72.50 71.59 2wh1 s THR 120 CO 0.10 0.00 1.25 -0.75 -0.54 0.00 0.00 174.62 174.68 2wh1 s LYS 121 N -3.72 0.06 -0.21 3.99 2.47 -1.09 -4.86 119.74 116.38 2wh1 s LYS 121 Ca 0.21 0.12 -0.09 0.00 -1.56 0.00 0.00 55.97 54.64 2wh1 s LYS 121 Cb 0.02 0.03 -0.05 0.00 -1.46 0.00 0.00 37.83 36.37 2wh1 s LYS 121 CO 0.13 -0.01 0.12 -1.21 0.16 0.00 0.00 175.35 174.53 2wh1 s GLU 122 N 1.26 4.06 0.35 4.03 2.02 -1.26 -1.29 118.70 127.88 2wh1 s GLU 122 Ca -0.06 -0.28 0.09 0.00 0.02 0.00 0.00 54.97 54.73 2wh1 s GLU 122 Cb -0.02 -3.40 -0.06 0.00 0.10 0.00 0.00 34.13 30.75 2wh1 s GLU 122 CO -0.11 0.19 -0.03 -0.51 0.02 0.00 0.00 175.26 174.82 2wh1 s LEU 123 N 0.66 2.86 0.00 1.80 1.43 -0.93 -5.00 118.68 119.50 2wh1 s LEU 123 Ca 0.06 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.03 2wh1 s LEU 123 Cb -0.12 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 44.95 2wh1 s LEU 123 CO 0.01 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 176.94 2wh1 n GLY 124 N -0.90 1.44 3.62 -3.19 0.00 -1.26 -1.77 105.19 103.12 2wh1 n GLY 124 Ca -0.04 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 2wh1 n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wh1 s SER 125 N -4.00 6.29 0.00 1.61 0.15 0.19 -4.88 113.70 113.05 2wh1 s SER 125 Ca 0.00 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.05 2wh1 s SER 125 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2wh1 s SER 125 CO 0.00 -1.37 0.50 0.54 1.20 0.00 0.00 173.24 174.11 2wh1 n ARG 126 N 7.87 0.87 -1.72 5.44 1.74 -1.26 -4.33 116.66 125.28 2wh1 n ARG 126 Ca 0.19 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.85 2wh1 n ARG 126 Cb 0.46 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.49 2wh1 n ARG 126 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2wh1 s ASN 127 N 0.04 6.43 0.00 0.55 3.84 -1.26 -4.90 114.94 119.64 2wh1 s ASN 127 Ca 0.00 2.74 0.00 0.00 0.21 0.00 0.00 52.86 55.81 2wh1 s ASN 127 Cb 0.00 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 2wh1 s ASN 127 CO 0.00 -1.01 0.76 -2.65 -2.79 0.00 0.00 177.10 171.42 2wh1 n PRO 128 N 5.83 0.00 -0.34 0.43 -0.02 -1.26 -0.56 135.00 139.08 2wh1 n PRO 128 Ca 0.18 0.62 0.01 0.00 -2.02 0.00 0.00 63.50 62.29 2wh1 n PRO 128 Cb 0.38 -1.26 0.06 0.00 -0.02 0.00 0.00 33.50 32.66 2wh1 n PRO 128 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wh1 n ILE 129 N -1.84 -0.44 0.18 4.25 5.41 -1.26 0.68 119.36 126.35 2wh1 n ILE 129 Ca 0.00 2.07 0.03 0.00 1.00 0.00 0.00 62.75 65.85 2wh1 n ILE 129 Cb 0.00 -2.77 0.35 0.00 -0.71 0.00 0.00 39.64 36.51 2wh1 n ILE 129 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2wh1 h ASN 130 N 0.00 0.00 0.12 4.38 4.21 -1.90 -2.04 115.58 120.35 2wh1 h ASN 130 Ca 0.35 0.00 -0.29 0.00 1.21 0.00 0.00 56.30 57.56 2wh1 h ASN 130 Cb 0.57 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.80 2wh1 h ASN 130 CO -0.89 0.39 -1.20 0.40 -1.29 0.00 0.00 177.43 174.84 2wh1 h ILE 131 N 0.00 1.29 0.56 2.81 1.08 0.28 -2.03 117.51 121.50 2wh1 h ILE 131 Ca -0.00 -2.43 -0.02 0.00 -0.39 0.00 0.00 64.86 62.02 2wh1 h ILE 131 Cb 0.72 2.62 -0.00 0.00 -3.07 0.00 0.00 36.82 37.08 2wh1 h ILE 131 CO 0.05 0.74 -0.36 0.00 -0.69 0.00 0.00 178.15 177.89 2wh1 h ALA 132 N 0.33 -1.16 -0.65 1.87 0.00 0.29 0.26 119.26 120.21 2wh1 h ALA 132 Ca -0.17 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.69 2wh1 h ALA 132 Cb 1.87 0.49 -0.11 0.00 0.00 0.00 0.00 17.79 20.03 2wh1 h ALA 132 CO 0.23 -1.14 -0.05 1.88 0.00 0.00 0.00 179.25 180.18 2wh1 h TYR 133 N -0.87 -0.13 -0.66 0.00 -1.99 -1.48 0.14 116.97 111.97 2wh1 h TYR 133 Ca -0.07 0.05 0.06 0.00 2.00 0.00 0.00 58.73 60.77 2wh1 h TYR 133 Cb 0.71 0.16 -0.06 0.00 2.00 0.00 0.00 36.73 39.54 2wh1 h TYR 133 CO -0.07 -0.21 0.35 0.00 -0.00 0.00 0.00 178.16 178.23 2wh1 h ALA 134 N 1.61 0.88 -0.72 3.88 0.00 -1.13 -1.34 119.26 122.44 2wh1 h ALA 134 Ca 0.33 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.38 2wh1 h ALA 134 Cb 0.54 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 2wh1 h ALA 134 CO -0.59 0.01 0.32 1.15 0.00 0.00 0.00 179.25 180.13 2wh1 h THR 135 N 0.64 0.76 0.00 0.00 2.02 0.23 -2.98 112.91 113.57 2wh1 h THR 135 Ca 0.30 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.31 2wh1 h THR 135 Cb 0.22 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 2wh1 h THR 135 CO -0.20 0.09 0.00 0.23 0.37 0.00 0.00 175.52 176.01 2wh1 n MET 136 N -4.94 0.00 0.06 6.66 2.00 -0.52 -2.27 117.12 118.11 2wh1 n MET 136 Ca 0.12 0.27 0.00 0.00 0.00 0.00 0.00 57.70 58.10 2wh1 n MET 136 Cb 0.33 -1.12 0.00 0.00 0.00 0.00 0.00 33.22 32.44 2wh1 n MET 136 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2wh1 n GLU 137 N -1.05 0.01 -0.03 0.03 -0.58 -1.11 -0.39 120.64 117.52 2wh1 n GLU 137 Ca 0.00 0.18 -0.01 0.00 -0.42 0.00 0.00 57.16 56.92 2wh1 n GLU 137 Cb 0.00 -2.01 -0.00 0.00 -0.57 0.00 0.00 31.44 28.86 2wh1 n GLU 137 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wh1 h ALA 138 N 0.00 0.00 0.23 0.62 0.00 -1.30 -3.25 119.26 115.56 2wh1 h ALA 138 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2wh1 h ALA 138 Cb 1.14 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2wh1 h ALA 138 CO 0.00 0.06 -0.30 -0.07 0.00 0.00 0.00 179.25 178.95 2wh1 h LEU 139 N -0.49 -0.82 -0.33 0.00 3.38 -0.56 0.79 115.31 117.29 2wh1 h LEU 139 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2wh1 h LEU 139 Cb 0.06 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2wh1 h LEU 139 CO 0.00 -0.41 0.35 -1.14 0.09 0.00 0.00 178.44 177.33 2wh1 n ARG 140 N -5.41 0.04 -0.45 1.13 0.63 -0.69 0.14 116.66 112.04 2wh1 n ARG 140 Ca -0.08 0.38 0.06 0.00 -0.92 0.00 0.00 57.85 57.29 2wh1 n ARG 140 Cb 0.32 -1.97 0.21 0.00 0.45 0.00 0.00 32.46 31.47 2wh1 n ARG 140 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2wh1 n GLN 141 N -1.60 2.10 -3.24 -0.14 7.27 0.26 -4.99 117.38 117.04 2wh1 n GLN 141 Ca -0.00 -2.90 -0.40 0.00 0.07 0.00 0.00 57.00 53.77 2wh1 n GLN 141 Cb 0.36 -1.73 -0.08 0.00 2.41 0.00 0.00 30.24 31.21 2wh1 n GLN 141 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2wh1 s LEU 142 N -2.98 4.05 -0.10 1.69 1.43 0.36 -5.01 118.68 118.12 2wh1 s LEU 142 Ca 0.40 0.51 -0.05 0.00 -1.03 0.00 0.00 54.13 53.96 2wh1 s LEU 142 Cb 0.34 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 2wh1 s LEU 142 CO 0.04 -0.28 0.10 -0.13 0.23 0.00 0.00 176.35 176.30 2wh1 s ARG 143 N 2.30 3.27 0.10 1.70 1.81 -1.26 -4.74 118.95 122.13 2wh1 s ARG 143 Ca 0.21 -0.25 -0.09 0.00 -1.72 0.00 0.00 55.73 53.88 2wh1 s ARG 143 Cb -0.16 -3.04 -0.06 0.00 -0.45 0.00 0.00 34.95 31.25 2wh1 s ARG 143 CO 0.09 0.74 0.40 0.95 -0.68 0.00 0.00 175.30 176.80 2wh1 s THR 144 N -1.01 5.11 0.48 0.02 -4.23 -1.26 -4.67 115.64 110.08 2wh1 s THR 144 Ca 0.16 0.35 0.38 0.00 -1.18 0.00 0.00 61.69 61.39 2wh1 s THR 144 Cb -0.12 -3.64 0.57 0.00 1.34 0.00 0.00 72.50 70.66 2wh1 s THR 144 CO 0.05 0.22 1.59 0.50 -0.54 0.00 0.00 174.62 176.43 2wh1 h LYS 145 N 3.48 0.01 0.00 3.99 3.11 -1.98 -0.99 116.57 124.19 2wh1 h LYS 145 Ca -0.48 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.36 2wh1 h LYS 145 Cb 1.19 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.41 2wh1 h LYS 145 CO 0.68 0.01 0.00 0.00 -2.81 0.00 0.00 179.45 177.33 2wh1 n ALA 146 N -2.64 -0.01 0.00 5.00 0.00 -1.26 -3.00 120.51 118.59 2wh1 n ALA 146 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2wh1 n ALA 146 Cb 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 21.14 2wh1 n ALA 146 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wh1 n ASP 147 N -0.53 0.00 -0.01 0.00 3.85 -0.97 -1.23 116.55 117.65 2wh1 n ASP 147 Ca 0.00 0.08 -0.00 0.00 -0.71 0.00 0.00 54.79 54.16 2wh1 n ASP 147 Cb 0.00 -0.08 -0.00 0.00 -1.35 0.00 0.00 41.12 39.69 2wh1 n ASP 147 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 2wh1 h VAL 148 N 0.00 0.00 -0.12 2.12 2.07 -1.23 -3.25 116.25 115.84 2wh1 h VAL 148 Ca 0.00 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.36 2wh1 h VAL 148 Cb 0.09 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.86 2wh1 h VAL 148 CO 0.00 0.00 0.21 -0.33 0.02 0.00 0.00 177.57 177.47 2wh1 h GLU 149 N -0.19 0.00 0.29 1.57 5.08 -1.09 -1.65 114.58 118.59 2wh1 h GLU 149 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wh1 h GLU 149 Cb 0.01 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2wh1 h GLU 149 CO 0.00 0.00 -0.49 -0.09 -1.00 0.00 0.00 179.01 177.43 2wh1 h ARG 150 N 0.00 -0.81 -0.97 2.33 2.43 -1.26 -2.93 114.38 113.18 2wh1 h ARG 150 Ca 0.06 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.36 2wh1 h ARG 150 Cb 0.48 0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 30.14 2wh1 h ARG 150 CO -0.00 -0.54 0.62 -0.07 -1.51 0.00 0.00 179.97 178.47 2wh1 h LEU 151 N -0.84 0.97 -3.87 3.80 3.38 -1.33 -2.97 115.31 114.45 2wh1 h LEU 151 Ca -0.02 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2wh1 h LEU 151 Cb 0.79 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2wh1 h LEU 151 CO -0.18 0.60 -0.16 0.54 0.09 0.00 0.00 178.44 179.33 2wh1 n ARG 152 N -4.55 1.38 0.00 1.13 1.74 -1.10 -4.88 116.66 110.38 2wh1 n ARG 152 Ca 0.15 -0.56 0.00 0.00 -0.77 0.00 0.00 57.85 56.67 2wh1 n ARG 152 Cb 0.22 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 2wh1 n ARG 152 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wh1 n LYS 153 N 2.28 0.53 -2.65 5.56 4.76 -1.13 -5.02 118.16 122.49 2wh1 n LYS 153 Ca 0.24 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.65 2wh1 n LYS 153 Cb 0.64 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.83 2wh1 n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wh1 n GLY 154 N 0.00 -1.07 0.00 0.72 0.00 -1.26 -5.15 105.19 98.43 2wh1 n GLY 154 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2wh1 n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11