#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 s PRO 2 N 0.00 4.15 0.00 0.03 0.04 -1.25 -4.63 135.00 133.34 2wh4 s PRO 2 Ca 0.00 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.58 2wh4 s PRO 2 Cb 0.00 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2wh4 s PRO 2 CO 0.00 -0.78 0.02 0.54 0.04 0.00 0.00 177.00 176.82 2wh4 n ARG 3 N 4.98 0.00 -2.08 4.56 1.74 -1.19 -4.35 116.66 120.33 2wh4 n ARG 3 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2wh4 n ARG 3 Cb 0.38 -1.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 2wh4 n ARG 3 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wh4 n LEU 4 N -0.44 -2.12 -4.56 0.55 4.77 -1.07 0.39 117.00 114.52 2wh4 n LEU 4 Ca 0.00 0.25 -0.23 0.00 -0.03 0.00 0.00 56.01 55.99 2wh4 n LEU 4 Cb 0.00 -0.92 -0.06 0.00 -2.33 0.00 0.00 43.42 40.11 2wh4 n LEU 4 CO 0.00 -0.85 1.31 -0.54 -1.33 0.00 0.00 177.39 175.98 2wh4 s LYS 5 N -0.57 2.31 -0.05 3.23 1.02 0.11 -3.33 119.74 122.46 2wh4 s LYS 5 Ca 0.00 -0.11 -0.24 0.00 0.02 0.00 0.00 55.97 55.63 2wh4 s LYS 5 Cb 0.00 -5.00 -0.04 0.00 -0.52 0.00 0.00 37.83 32.28 2wh4 s LYS 5 CO 0.00 -3.66 0.73 0.08 -0.92 0.00 0.00 175.35 171.59 2wh4 s VAL 6 N 11.28 5.01 -0.27 3.17 1.01 0.01 -2.39 120.40 138.22 2wh4 s VAL 6 Ca 0.76 1.52 -0.03 0.00 0.00 0.00 0.00 61.98 64.23 2wh4 s VAL 6 Cb -0.08 -4.08 0.09 0.00 0.00 0.00 0.00 36.38 32.31 2wh4 s VAL 6 CO 0.02 0.25 0.10 -0.75 0.00 0.00 0.00 175.10 174.71 2wh4 s LYS 7 N 0.77 0.47 -0.13 2.72 2.20 -0.56 0.77 119.74 125.98 2wh4 s LYS 7 Ca 0.39 -0.70 -0.35 0.00 -0.36 0.00 0.00 55.97 54.95 2wh4 s LYS 7 Cb -0.18 -1.70 -0.12 0.00 -1.51 0.00 0.00 37.83 34.32 2wh4 s LYS 7 CO 0.20 -0.92 1.88 -0.11 -0.36 0.00 0.00 175.35 176.03 2wh4 n LEU 8 N 5.06 3.24 0.00 5.43 0.00 -1.13 -2.57 117.00 127.03 2wh4 n LEU 8 Ca -0.05 0.96 0.00 0.00 0.00 0.00 0.00 56.01 56.92 2wh4 n LEU 8 Cb 0.43 -1.33 0.00 0.00 0.00 0.00 0.00 43.42 42.52 2wh4 n LEU 8 CO 0.09 -0.14 0.34 1.33 0.00 0.00 0.00 177.39 179.01 2wh4 n VAL 9 N 5.17 0.44 -3.67 1.96 0.24 0.31 0.15 118.33 122.93 2wh4 n VAL 9 Ca 0.24 -0.49 -0.12 0.00 -2.04 0.00 0.00 64.34 61.93 2wh4 n VAL 9 Cb 0.27 0.86 -0.12 0.00 -1.47 0.00 0.00 33.84 33.38 2wh4 n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2wh4 s LYS 10 N -0.44 0.20 -0.08 7.34 2.20 -0.69 -4.92 119.74 123.35 2wh4 s LYS 10 Ca 0.00 0.80 -0.37 0.00 -0.36 0.00 0.00 55.97 56.04 2wh4 s LYS 10 Cb 0.00 0.05 -0.15 0.00 -1.51 0.00 0.00 37.83 36.22 2wh4 s LYS 10 CO 0.00 -0.27 1.64 0.45 -0.36 0.00 0.00 175.35 176.81 2wh4 n SER 11 N 5.26 2.50 0.00 1.43 2.88 -1.26 -4.81 113.62 119.62 2wh4 n SER 11 Ca -0.08 1.07 0.09 0.00 -1.33 0.00 0.00 58.87 58.62 2wh4 n SER 11 Cb 0.50 -1.24 0.56 0.00 -0.75 0.00 0.00 64.21 63.28 2wh4 n SER 11 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2wh4 n PRO 12 N 4.57 0.86 -1.59 -1.46 -0.04 -1.26 -4.86 135.00 131.22 2wh4 n PRO 12 Ca 0.22 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.23 2wh4 n PRO 12 Cb 0.20 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.28 2wh4 n PRO 12 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2wh4 n ILE 13 N -0.84 0.39 0.00 0.52 -0.00 -1.26 -1.03 119.36 117.13 2wh4 n ILE 13 Ca 0.14 -0.36 0.00 0.00 -0.00 0.00 0.00 62.75 62.53 2wh4 n ILE 13 Cb 0.06 -2.31 0.00 0.00 -0.00 0.00 0.00 39.64 37.40 2wh4 n ILE 13 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2wh4 n GLY 14 N 5.65 1.33 3.87 7.39 0.00 -1.26 -5.09 105.19 117.09 2wh4 n GLY 14 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 2wh4 n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wh4 s TYR 15 N -2.17 3.42 0.29 1.61 1.51 -0.20 -5.02 117.35 116.79 2wh4 s TYR 15 Ca 0.00 0.98 -0.25 0.00 -1.01 0.00 0.00 57.07 56.79 2wh4 s TYR 15 Cb 0.00 -2.36 -0.16 0.00 -0.11 0.00 0.00 41.96 39.33 2wh4 s TYR 15 CO 0.00 0.13 0.32 -2.30 -1.11 0.00 0.00 175.55 172.59 2wh4 n PRO 16 N -0.55 0.00 -0.36 -1.71 -0.02 -1.26 -4.69 135.00 126.40 2wh4 n PRO 16 Ca 0.01 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.40 2wh4 n PRO 16 Cb 0.53 -0.99 -0.09 0.00 -0.02 0.00 0.00 33.50 32.94 2wh4 n PRO 16 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2wh4 n LYS 17 N 1.13 -0.38 -0.15 -0.52 3.00 -1.26 -1.32 118.16 118.67 2wh4 n LYS 17 Ca 0.15 1.42 -0.04 0.00 -0.00 0.00 0.00 58.31 59.84 2wh4 n LYS 17 Cb 0.31 -2.09 0.03 0.00 0.00 0.00 0.00 35.03 33.28 2wh4 n LYS 17 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2wh4 h ASP 18 N 0.00 -0.55 -0.80 3.14 2.03 -1.99 -1.28 116.42 116.97 2wh4 h ASP 18 Ca 0.14 0.16 0.14 0.00 -0.73 0.00 0.00 57.03 56.73 2wh4 h ASP 18 Cb 0.36 0.34 -0.09 0.00 -0.83 0.00 0.00 39.33 39.10 2wh4 h ASP 18 CO -0.82 -0.19 0.38 1.56 -1.03 0.00 0.00 179.24 179.14 2wh4 h GLN 19 N -0.04 0.54 0.00 4.15 4.20 -1.53 0.69 115.11 123.13 2wh4 h GLN 19 Ca 0.23 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.88 2wh4 h GLN 19 Cb 0.39 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 2wh4 h GLN 19 CO -0.52 0.36 -0.12 0.87 -0.67 0.00 0.00 178.83 178.75 2wh4 h LYS 20 N 0.56 0.00 0.06 1.46 1.57 -0.84 -2.00 116.57 117.37 2wh4 h LYS 20 Ca 0.43 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.93 2wh4 h LYS 20 Cb 0.60 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.93 2wh4 h LYS 20 CO -0.36 0.12 -1.13 0.00 -0.57 0.00 0.00 179.45 177.51 2wh4 h ALA 21 N 1.88 0.10 -0.27 3.86 0.00 0.74 -2.52 119.26 123.06 2wh4 h ALA 21 Ca -0.00 -0.74 0.06 0.00 0.00 0.00 0.00 54.91 54.22 2wh4 h ALA 21 Cb 0.22 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 2wh4 h ALA 21 CO 0.02 0.73 -0.09 0.00 0.00 0.00 0.00 179.25 179.90 2wh4 h ALA 22 N 0.42 0.15 -0.78 0.00 0.00 0.32 0.39 119.26 119.76 2wh4 h ALA 22 Ca -0.15 0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2wh4 h ALA 22 Cb 1.80 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.79 2wh4 h ALA 22 CO 0.21 -0.49 0.51 -0.07 0.00 0.00 0.00 179.25 179.41 2wh4 h LEU 23 N -0.04 0.69 -1.00 0.00 3.38 -1.45 0.20 115.31 117.08 2wh4 h LEU 23 Ca 0.14 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 2wh4 h LEU 23 Cb 0.24 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2wh4 h LEU 23 CO -0.30 0.43 -0.37 0.50 0.09 0.00 0.00 178.44 178.79 2wh4 h LYS 24 N 0.77 0.24 -0.02 1.13 3.64 -0.06 0.25 116.57 122.53 2wh4 h LYS 24 Ca 0.35 -0.11 -0.22 0.00 -1.27 0.00 0.00 60.65 59.40 2wh4 h LYS 24 Cb 0.34 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2wh4 h LYS 24 CO -0.13 0.58 -0.92 0.00 -2.27 0.00 0.00 179.45 176.72 2wh4 h ALA 25 N 1.41 0.37 0.00 5.00 0.00 0.19 -2.79 119.26 123.45 2wh4 h ALA 25 Ca 0.02 -0.69 -0.07 0.00 0.00 0.00 0.00 54.91 54.17 2wh4 h ALA 25 Cb 0.75 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2wh4 h ALA 25 CO 0.06 0.79 -0.36 -0.07 0.00 0.00 0.00 179.25 179.67 2wh4 h LEU 26 N 0.27 0.00 -0.01 0.00 3.38 -0.50 -3.47 115.31 114.97 2wh4 h LEU 26 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2wh4 h LEU 26 Cb 1.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.30 2wh4 h LEU 26 CO 0.16 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.66 2wh4 n GLY 27 N 0.50 1.28 3.49 0.83 0.00 0.64 -5.03 105.19 106.90 2wh4 n GLY 27 Ca 0.01 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 2wh4 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wh4 s LEU 28 N -0.01 4.32 0.00 0.99 1.43 0.16 -4.99 118.68 120.59 2wh4 s LEU 28 Ca 0.00 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 2wh4 s LEU 28 Cb 0.00 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.14 2wh4 s LEU 28 CO 0.00 -0.21 0.00 0.54 0.23 0.00 0.00 176.35 176.91 2wh4 n ARG 29 N 5.05 0.00 -2.00 1.70 1.74 -1.26 -4.50 116.66 117.39 2wh4 n ARG 29 Ca -0.13 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.66 2wh4 n ARG 29 Cb 0.50 -0.28 0.06 0.00 -1.02 0.00 0.00 32.46 31.72 2wh4 n ARG 29 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wh4 s ARG 30 N -0.58 2.55 0.41 5.56 0.52 -1.26 -5.03 118.95 121.13 2wh4 s ARG 30 Ca 0.00 0.22 -0.24 0.00 -0.52 0.00 0.00 55.73 55.19 2wh4 s ARG 30 Cb 0.00 -2.06 -0.09 0.00 0.52 0.00 0.00 34.95 33.33 2wh4 s ARG 30 CO 0.00 -1.16 1.09 -0.51 0.02 0.00 0.00 175.30 174.74 2wh4 s LEU 31 N -5.35 4.12 0.00 2.53 1.43 -1.26 -2.88 118.68 117.27 2wh4 s LEU 31 Ca 0.59 2.14 0.00 0.00 -1.03 0.00 0.00 54.13 55.83 2wh4 s LEU 31 Cb -0.11 -4.17 0.00 0.00 0.03 0.00 0.00 46.19 41.94 2wh4 s LEU 31 CO 0.49 -0.61 0.00 0.00 0.23 0.00 0.00 176.35 176.46 2wh4 n GLN 32 N -0.14 0.00 -1.54 1.70 1.13 0.39 -4.94 117.38 113.98 2wh4 n GLN 32 Ca 0.05 0.00 -0.51 0.00 -1.94 0.00 0.00 57.00 54.61 2wh4 n GLN 32 Cb 0.49 -1.59 -0.06 0.00 0.11 0.00 0.00 30.24 29.18 2wh4 n GLN 32 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2wh4 n GLN 33 N -1.89 1.35 -2.81 -1.09 7.27 -1.14 -4.59 117.38 114.48 2wh4 n GLN 33 Ca 0.00 0.42 -0.30 0.00 0.07 0.00 0.00 57.00 57.19 2wh4 n GLN 33 Cb 0.00 -2.50 -0.03 0.00 2.41 0.00 0.00 30.24 30.13 2wh4 n GLN 33 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2wh4 s GLU 34 N 5.44 3.74 -0.20 3.69 2.02 -1.26 -2.85 118.70 129.28 2wh4 s GLU 34 Ca 1.04 0.43 -0.10 0.00 0.02 0.00 0.00 54.97 56.36 2wh4 s GLU 34 Cb -0.82 -2.39 0.07 0.00 0.10 0.00 0.00 34.13 31.09 2wh4 s GLU 34 CO 0.51 -0.07 0.48 0.50 0.02 0.00 0.00 175.26 176.71 2wh4 s ARG 35 N -3.98 0.46 -0.71 1.61 3.52 0.23 -4.96 118.95 115.11 2wh4 s ARG 35 Ca 0.51 0.95 -0.18 0.00 -0.13 0.00 0.00 55.73 56.87 2wh4 s ARG 35 Cb -0.10 0.10 0.13 0.00 -1.56 0.00 0.00 34.95 33.51 2wh4 s ARG 35 CO 0.33 -0.17 0.82 0.14 -0.81 0.00 0.00 175.30 175.62 2wh4 s VAL 36 N 1.69 4.91 0.17 7.11 -7.23 -1.25 -0.81 120.40 124.99 2wh4 s VAL 36 Ca -0.08 -1.35 0.04 0.00 -1.81 0.00 0.00 61.98 58.78 2wh4 s VAL 36 Cb -0.08 -4.56 -0.04 0.00 0.56 0.00 0.00 36.38 32.26 2wh4 s VAL 36 CO -0.15 -1.21 0.20 -0.76 -0.31 0.00 0.00 175.10 172.87 2wh4 s LEU 37 N 2.32 3.99 0.00 1.32 1.43 1.27 -4.86 118.68 124.15 2wh4 s LEU 37 Ca 0.18 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 2wh4 s LEU 37 Cb -0.17 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.47 2wh4 s LEU 37 CO 0.00 0.05 0.00 1.21 0.23 0.00 0.00 176.35 177.84 2wh4 n GLU 38 N -0.52 0.44 -0.94 1.70 4.07 -1.26 -2.61 120.64 121.52 2wh4 n GLU 38 Ca -0.08 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.04 2wh4 n GLU 38 Cb 0.55 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.94 2wh4 n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2wh4 n ASP 39 N -0.91 0.48 -4.20 4.31 2.03 -1.26 -4.50 116.55 112.49 2wh4 n ASP 39 Ca 0.00 -2.03 -0.29 0.00 0.52 0.00 0.00 54.79 52.99 2wh4 n ASP 39 Cb 0.00 -0.25 0.26 0.00 -0.72 0.00 0.00 41.12 40.41 2wh4 n ASP 39 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2wh4 n THR 40 N 0.19 0.00 -0.14 5.18 -2.24 -1.26 -4.70 114.28 111.31 2wh4 n THR 40 Ca 0.03 -0.38 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 2wh4 n THR 40 Cb 0.90 -0.95 -0.01 0.00 -2.10 0.00 0.00 70.33 68.17 2wh4 n THR 40 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2wh4 h PRO 41 N -2.87 0.76 -0.64 -0.78 0.11 -1.99 -1.90 132.00 124.69 2wh4 h PRO 41 Ca -0.58 -0.26 -0.00 0.00 0.11 0.00 0.00 66.00 65.27 2wh4 h PRO 41 Cb 1.33 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 2wh4 h PRO 41 CO 0.44 0.86 0.40 0.00 -0.21 0.00 0.00 178.00 179.48 2wh4 h ALA 42 N 0.88 1.49 -0.11 -0.75 0.00 -1.98 1.23 119.26 120.02 2wh4 h ALA 42 Ca 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wh4 h ALA 42 Cb 0.54 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wh4 h ALA 42 CO 0.03 0.45 0.03 0.82 0.00 0.00 0.00 179.25 180.58 2wh4 h ILE 43 N 0.88 1.19 -0.17 0.00 1.08 -1.84 -2.72 117.51 115.93 2wh4 h ILE 43 Ca 0.23 -0.59 0.03 0.00 -0.39 0.00 0.00 64.86 64.14 2wh4 h ILE 43 Cb -0.05 1.39 -0.03 0.00 -3.07 0.00 0.00 36.82 35.05 2wh4 h ILE 43 CO -0.05 0.17 -0.02 0.03 -0.69 0.00 0.00 178.15 177.59 2wh4 h ARG 44 N -0.03 0.02 -0.71 2.37 3.08 -0.40 -2.34 114.38 116.37 2wh4 h ARG 44 Ca 0.03 -0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.25 2wh4 h ARG 44 Cb 0.24 -0.01 -0.13 0.00 0.08 0.00 0.00 29.97 30.16 2wh4 h ARG 44 CO 0.00 0.02 -0.10 0.41 -1.07 0.00 0.00 179.97 179.23 2wh4 n GLY 45 N -1.18 -1.10 0.14 0.04 0.00 0.41 0.33 105.19 103.84 2wh4 n GLY 45 Ca -0.03 0.73 -0.24 0.00 0.00 0.00 0.00 46.02 46.49 2wh4 n GLY 45 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wh4 h ASN 46 N 0.00 0.75 -0.84 1.61 -0.26 -1.44 -2.25 115.58 113.16 2wh4 h ASN 46 Ca 0.38 -0.87 0.08 0.00 -0.56 0.00 0.00 56.30 55.33 2wh4 h ASN 46 Cb 0.67 -0.25 -0.06 0.00 -1.06 0.00 0.00 38.32 37.62 2wh4 h ASN 46 CO -0.71 1.70 0.55 0.58 -1.06 0.00 0.00 177.43 178.49 2wh4 h VAL 47 N 0.13 1.00 0.00 2.81 2.07 0.13 -2.37 116.25 120.02 2wh4 h VAL 47 Ca -0.27 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2wh4 h VAL 47 Cb 2.14 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2wh4 h VAL 47 CO 0.25 0.16 0.00 -0.62 0.02 0.00 0.00 177.57 177.37 2wh4 n GLU 48 N -4.50 0.00 0.13 1.57 1.02 0.99 -2.96 120.64 116.88 2wh4 n GLU 48 Ca 0.13 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 2wh4 n GLU 48 Cb 0.27 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 2wh4 n GLU 48 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2wh4 n LYS 49 N -1.37 0.01 0.00 3.49 4.81 -0.85 -0.47 118.16 123.78 2wh4 n LYS 49 Ca 0.00 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 2wh4 n LYS 49 Cb 0.00 -1.85 0.00 0.00 0.02 0.00 0.00 35.03 33.20 2wh4 n LYS 49 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2wh4 n VAL 50 N -1.45 0.13 -0.23 3.15 0.24 -1.09 -4.83 118.33 114.24 2wh4 n VAL 50 Ca 0.00 -0.45 0.20 0.00 -2.04 0.00 0.00 64.34 62.05 2wh4 n VAL 50 Cb 0.60 1.12 0.33 0.00 -1.47 0.00 0.00 33.84 34.43 2wh4 n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wh4 n ALA 51 N -0.06 0.67 1.04 2.33 0.00 0.38 0.26 120.51 125.12 2wh4 n ALA 51 Ca 0.00 0.42 0.10 0.00 0.00 0.00 0.00 53.44 53.97 2wh4 n ALA 51 Cb 0.10 -0.52 0.54 0.00 0.00 0.00 0.00 19.45 19.57 2wh4 n ALA 51 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2wh4 n HIS 52 N -3.63 0.00 0.00 0.00 1.44 -1.26 -2.99 115.22 108.78 2wh4 n HIS 52 Ca 0.20 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.91 2wh4 n HIS 52 Cb 0.77 -0.24 -0.01 0.00 0.12 0.00 0.00 29.99 30.64 2wh4 n HIS 52 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2wh4 n LEU 53 N -1.24 0.00 -4.35 2.39 4.77 0.72 -4.88 117.00 114.41 2wh4 n LEU 53 Ca 0.11 -0.02 -0.19 0.00 -0.03 0.00 0.00 56.01 55.87 2wh4 n LEU 53 Cb 0.15 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.14 2wh4 n LEU 53 CO 0.15 0.00 -0.45 0.54 -1.33 0.00 0.00 177.39 176.30 2wh4 s VAL 54 N -2.01 1.79 -0.19 4.08 0.11 -1.07 -0.53 120.40 122.59 2wh4 s VAL 54 Ca -0.00 -2.17 -0.02 0.00 -2.93 0.00 0.00 61.98 56.86 2wh4 s VAL 54 Cb 0.00 -2.02 -0.00 0.00 -1.53 0.00 0.00 36.38 32.83 2wh4 s VAL 54 CO 0.03 -0.54 -0.11 -0.13 -3.33 0.00 0.00 175.10 171.02 2wh4 s ARG 55 N -3.49 3.26 0.21 1.54 0.52 -1.06 -4.66 118.95 115.28 2wh4 s ARG 55 Ca 0.22 -0.70 0.08 0.00 -0.52 0.00 0.00 55.73 54.80 2wh4 s ARG 55 Cb -0.02 -2.79 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 2wh4 s ARG 55 CO 0.07 -0.11 0.03 0.08 0.02 0.00 0.00 175.30 175.40 2wh4 s VAL 56 N 1.16 3.76 0.09 3.52 1.01 -1.26 -1.49 120.40 127.19 2wh4 s VAL 56 Ca 0.01 -1.56 -0.14 0.00 0.00 0.00 0.00 61.98 60.30 2wh4 s VAL 56 Cb -0.14 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.31 2wh4 s VAL 56 CO -0.04 -0.23 0.32 -0.70 0.00 0.00 0.00 175.10 174.45 2wh4 s GLU 57 N -3.30 0.93 0.04 2.72 2.12 -1.01 -4.95 118.70 115.25 2wh4 s GLU 57 Ca 0.30 -0.70 -0.00 0.00 0.36 0.00 0.00 54.97 54.92 2wh4 s GLU 57 Cb -0.08 0.40 -0.04 0.00 0.26 0.00 0.00 34.13 34.67 2wh4 s GLU 57 CO 0.20 -0.33 0.16 0.14 -0.54 0.00 0.00 175.26 174.89 2wh4 s VAL 58 N -3.41 5.13 0.08 3.70 -7.23 -1.26 0.05 120.40 117.46 2wh4 s VAL 58 Ca 0.01 -0.41 -0.04 0.00 -1.81 0.00 0.00 61.98 59.72 2wh4 s VAL 58 Cb 0.02 -3.45 -0.02 0.00 0.56 0.00 0.00 36.38 33.49 2wh4 s VAL 58 CO -0.09 0.21 0.08 -0.69 -0.31 0.00 0.00 175.10 174.30 2wh4 s VAL 59 N -1.39 0.17 0.00 1.32 1.01 -1.26 -4.79 120.40 115.46 2wh4 s VAL 59 Ca 0.30 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.73 2wh4 s VAL 59 Cb -0.13 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.75 2wh4 s VAL 59 CO 0.22 -0.79 0.00 1.21 0.00 0.00 0.00 175.10 175.74