#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1f h LYS 2 N 0.00 -0.05 0.00 2.12 1.79 -2.05 -2.04 116.57 116.33 3f1f h LYS 2 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3f1f h LYS 2 Cb 0.00 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 3f1f h LYS 2 CO 0.00 -0.03 0.00 -0.11 -1.08 0.00 0.00 179.45 178.23 3f1f n LEU 3 N -5.37 0.00 -0.16 2.94 0.00 -1.26 -1.75 117.00 111.41 3f1f n LEU 3 Ca 0.03 0.50 -0.04 0.00 0.00 0.00 0.00 56.01 56.51 3f1f n LEU 3 Cb 0.27 -0.12 -0.04 0.00 0.00 0.00 0.00 43.42 43.53 3f1f n LEU 3 CO 0.11 -0.12 0.19 -1.20 0.00 0.00 0.00 177.39 176.36 3f1f n SER 4 N -1.50 -0.39 0.32 1.96 7.64 -0.77 0.36 113.62 121.24 3f1f n SER 4 Ca 0.00 0.68 -0.16 0.00 1.01 0.00 0.00 58.87 60.40 3f1f n SER 4 Cb 0.00 -0.09 -0.08 0.00 -1.01 0.00 0.00 64.21 63.02 3f1f n SER 4 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3f1f h GLU 5 N 0.00 -0.78 -0.90 1.43 3.07 -1.51 -2.59 114.58 113.29 3f1f h GLU 5 Ca 0.06 0.05 0.14 0.00 -0.50 0.00 0.00 59.36 59.11 3f1f h GLU 5 Cb 0.15 0.18 -0.09 0.00 -0.84 0.00 0.00 28.75 28.15 3f1f h GLU 5 CO -0.35 -0.47 0.51 0.28 -1.40 0.00 0.00 179.01 177.58 3f1f h VAL 6 N -0.98 0.80 -0.25 3.13 2.07 0.76 -2.62 116.25 119.15 3f1f h VAL 6 Ca -0.08 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 3f1f h VAL 6 Cb 0.67 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3f1f h VAL 6 CO 0.14 0.14 -0.15 -0.09 0.02 0.00 0.00 177.57 177.63 3f1f h ARG 7 N 0.76 0.55 -0.77 1.57 2.43 -0.38 -2.91 114.38 115.63 3f1f h ARG 7 Ca 0.48 -0.25 0.10 0.00 -0.81 0.00 0.00 59.98 59.50 3f1f h ARG 7 Cb 0.61 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.07 3f1f h ARG 7 CO -0.32 0.81 0.41 0.87 -1.51 0.00 0.00 179.97 180.23 3f1f h LYS 8 N 0.27 0.65 0.00 0.20 1.57 -1.10 -0.80 116.57 117.36 3f1f h LYS 8 Ca 0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3f1f h LYS 8 Cb 0.66 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3f1f h LYS 8 CO 0.04 0.43 0.00 0.00 -0.57 0.00 0.00 179.45 179.35 3f1f n GLN 9 N -4.82 0.24 -0.06 3.15 10.64 -1.08 -1.31 117.38 124.15 3f1f n GLN 9 Ca 0.13 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.22 3f1f n GLN 9 Cb 0.29 -1.12 -0.06 0.00 -0.86 0.00 0.00 30.24 28.49 3f1f n GLN 9 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3f1f n LEU 10 N -0.62 2.30 0.02 2.61 4.77 -0.31 -1.04 117.00 124.74 3f1f n LEU 10 Ca 0.01 -0.05 0.13 0.00 -0.03 0.00 0.00 56.01 56.08 3f1f n LEU 10 Cb 0.01 -0.29 0.57 0.00 -2.33 0.00 0.00 43.42 41.37 3f1f n LEU 10 CO 0.01 0.61 0.94 -0.62 -1.33 0.00 0.00 177.39 177.00 3f1f n GLU 11 N -2.76 0.05 0.11 3.23 4.71 -1.16 -1.67 120.64 123.14 3f1f n GLU 11 Ca -0.21 0.06 -0.18 0.00 -0.01 0.00 0.00 57.16 56.82 3f1f n GLU 11 Cb 0.76 -1.56 -0.13 0.00 -1.01 0.00 0.00 31.44 29.50 3f1f n GLU 11 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 3f1f h GLU 12 N 0.00 0.36 0.00 3.49 4.81 -1.30 -3.06 114.58 118.88 3f1f h GLU 12 Ca 0.00 -0.57 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 3f1f h GLU 12 Cb 0.53 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.12 3f1f h GLU 12 CO 0.00 1.26 0.00 0.00 -0.73 0.00 0.00 179.01 179.54 3f1f n ALA 13 N -2.58 1.88 -2.72 2.92 0.00 -0.21 -3.92 120.51 115.89 3f1f n ALA 13 Ca -0.10 -0.02 -0.43 0.00 0.00 0.00 0.00 53.44 52.88 3f1f n ALA 13 Cb 1.01 -1.06 -0.00 0.00 0.00 0.00 0.00 19.45 19.40 3f1f n ALA 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3f1f s ARG 14 N -2.00 3.99 0.00 0.00 0.52 -1.16 -2.16 118.95 118.14 3f1f s ARG 14 Ca 0.05 -2.14 0.00 0.00 -0.52 0.00 0.00 55.73 53.12 3f1f s ARG 14 Cb 0.02 -5.34 0.00 0.00 0.52 0.00 0.00 34.95 30.15 3f1f s ARG 14 CO 0.04 -2.07 0.00 1.63 0.02 0.00 0.00 175.30 174.92 3f1f n LYS 15 N 7.40 0.16 -1.46 3.54 4.76 -1.25 -4.72 118.16 126.59 3f1f n LYS 15 Ca 0.43 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.90 3f1f n LYS 15 Cb 0.45 -0.52 0.01 0.00 -1.84 0.00 0.00 35.03 33.14 3f1f n LYS 15 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3f1f n LEU 16 N -0.63 0.88 0.00 -0.35 7.99 -1.25 -5.08 117.00 118.55 3f1f n LEU 16 Ca 0.00 -1.99 0.00 0.00 -0.01 0.00 0.00 56.01 54.01 3f1f n LEU 16 Cb 0.02 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.33 3f1f n LEU 16 CO 0.00 0.55 0.19 -0.24 -1.51 0.00 0.00 177.39 176.38 3f1f n SER 17 N 0.47 0.00 -0.36 -1.43 2.88 -0.92 -1.01 113.62 113.25 3f1f n SER 17 Ca 0.04 0.38 -0.03 0.00 -1.33 0.00 0.00 58.87 57.93 3f1f n SER 17 Cb 1.12 -0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.59 3f1f n SER 17 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3f1f n PRO 18 N -0.90 -0.26 0.05 -1.46 -0.02 -1.26 0.19 135.00 131.35 3f1f n PRO 18 Ca 0.00 1.41 -0.11 0.00 -2.02 0.00 0.00 63.50 62.78 3f1f n PRO 18 Cb 0.00 -2.09 -0.04 0.00 -0.02 0.00 0.00 33.50 31.34 3f1f n PRO 18 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3f1f h VAL 19 N 0.00 0.58 -0.18 -1.45 2.07 -1.69 -2.46 116.25 113.13 3f1f h VAL 19 Ca 0.28 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.83 3f1f h VAL 19 Cb 0.51 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3f1f h VAL 19 CO -0.90 0.00 0.03 -0.33 0.02 0.00 0.00 177.57 176.39 3f1f h GLU 20 N -0.28 0.10 -0.38 1.57 4.39 0.39 -1.38 114.58 118.99 3f1f h GLU 20 Ca 0.06 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.81 3f1f h GLU 20 Cb 0.36 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.93 3f1f h GLU 20 CO -0.17 0.07 0.03 -0.07 -1.16 0.00 0.00 179.01 177.71 3f1f h LEU 21 N 0.10 -0.10 0.00 1.33 3.38 -0.36 0.37 115.31 120.05 3f1f h LEU 21 Ca 0.08 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3f1f h LEU 21 Cb 0.07 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3f1f h LEU 21 CO -0.11 -0.01 -0.39 -0.33 0.09 0.00 0.00 178.44 177.69 3f1f h GLU 22 N 0.14 -0.48 -0.92 1.13 5.08 -0.88 0.51 114.58 119.15 3f1f h GLU 22 Ca 0.18 0.03 0.27 0.00 -1.00 0.00 0.00 59.36 58.84 3f1f h GLU 22 Cb 0.24 0.11 -0.16 0.00 0.50 0.00 0.00 28.75 29.45 3f1f h GLU 22 CO -0.28 -0.32 0.22 0.87 -1.00 0.00 0.00 179.01 178.50 3f1f h LYS 23 N -0.50 0.13 -0.01 2.33 1.57 -0.88 -1.10 116.57 118.12 3f1f h LYS 23 Ca 0.01 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3f1f h LYS 23 Cb 0.53 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 3f1f h LYS 23 CO -0.26 0.09 0.00 1.25 -0.57 0.00 0.00 179.45 179.96 3f1f h LEU 24 N 0.13 0.01 -0.02 2.94 6.46 0.34 -2.42 115.31 122.75 3f1f h LEU 24 Ca 0.60 -0.12 0.03 0.00 -0.12 0.00 0.00 57.88 58.26 3f1f h LEU 24 Cb 1.28 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.17 3f1f h LEU 24 CO -0.74 0.13 -0.15 0.58 -0.62 0.00 0.00 178.44 177.64 3f1f h VAL 25 N -0.11 0.63 -0.81 1.05 2.07 0.86 0.51 116.25 120.44 3f1f h VAL 25 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.64 3f1f h VAL 25 Cb 0.12 0.63 -0.13 0.00 -1.52 0.00 0.00 31.29 30.39 3f1f h VAL 25 CO -0.00 0.00 -0.43 0.03 0.02 0.00 0.00 177.57 177.19 3f1f h ARG 26 N -0.24 -0.09 -0.73 1.57 3.08 -1.02 0.96 114.38 117.90 3f1f h ARG 26 Ca 0.06 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3f1f h ARG 26 Cb 0.32 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 3f1f h ARG 26 CO -0.16 -0.06 0.47 0.93 -1.07 0.00 0.00 179.97 180.08 3f1f h GLU 27 N -0.10 0.97 -0.53 0.04 5.08 -0.98 -2.29 114.58 116.77 3f1f h GLU 27 Ca 0.24 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3f1f h GLU 27 Cb 0.55 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3f1f h GLU 27 CO -0.84 0.66 0.32 0.87 -1.00 0.00 0.00 179.01 179.02 3f1f h LYS 28 N 0.99 0.72 -0.31 2.33 1.79 0.25 0.24 116.57 122.59 3f1f h LYS 28 Ca 0.27 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.68 3f1f h LYS 28 Cb -0.09 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.39 3f1f h LYS 28 CO -0.06 0.52 0.21 0.87 -1.08 0.00 0.00 179.45 179.92 3f1f h LYS 29 N 0.72 0.39 -0.01 3.15 1.79 0.79 -2.45 116.57 120.95 3f1f h LYS 29 Ca 0.19 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.62 3f1f h LYS 29 Cb -0.01 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 3f1f h LYS 29 CO -0.04 0.26 -0.08 -0.09 -1.08 0.00 0.00 179.45 178.42 3f1f h ARG 30 N 0.40 0.07 -1.08 3.15 2.43 -0.68 -1.54 114.38 117.13 3f1f h ARG 30 Ca 0.12 -0.07 0.29 0.00 -0.81 0.00 0.00 59.98 59.51 3f1f h ARG 30 Cb -0.02 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.45 3f1f h ARG 30 CO -0.03 0.78 0.70 0.93 -1.51 0.00 0.00 179.97 180.85 3f1f h GLU 31 N -0.62 0.32 0.00 0.20 5.08 -0.33 0.86 114.58 120.09 3f1f h GLU 31 Ca -0.01 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 3f1f h GLU 31 Cb 0.81 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3f1f h GLU 31 CO 0.02 0.21 -0.51 1.25 -1.00 0.00 0.00 179.01 178.98 3f1f h LEU 32 N 0.33 0.00 -0.71 1.33 6.46 -1.36 -3.00 115.31 118.36 3f1f h LEU 32 Ca 0.63 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 58.26 3f1f h LEU 32 Cb 1.69 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.61 3f1f h LEU 32 CO -0.31 0.44 -0.42 -0.03 -0.62 0.00 0.00 178.44 177.50 3f1f h MET 33 N 0.00 0.49 -0.27 1.25 4.05 0.17 -0.45 114.93 120.17 3f1f h MET 33 Ca -0.01 -0.25 0.04 0.00 -0.28 0.00 0.00 59.70 59.19 3f1f h MET 33 Cb 1.35 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 32.11 3f1f h MET 33 CO 0.06 0.82 0.05 1.49 0.23 0.00 0.00 176.91 179.56 3f1f h GLU 34 N 0.40 0.15 0.34 0.39 4.81 -0.91 -2.34 114.58 117.42 3f1f h GLU 34 Ca 0.03 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3f1f h GLU 34 Cb 0.91 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3f1f h GLU 34 CO 0.08 0.10 -0.16 -0.07 -0.73 0.00 0.00 179.01 178.22 3f1f h LEU 35 N 0.15 -0.38 -1.79 1.64 3.38 -1.27 -0.61 115.31 116.43 3f1f h LEU 35 Ca 0.13 -0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.21 3f1f h LEU 35 Cb 0.13 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3f1f h LEU 35 CO -0.17 -0.21 0.44 0.08 0.09 0.00 0.00 178.44 178.66 3f1f h ARG 36 N -0.53 0.21 -0.08 1.13 0.11 -1.02 0.53 114.38 114.72 3f1f h ARG 36 Ca -0.05 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.00 3f1f h ARG 36 Cb 0.40 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.43 3f1f h ARG 36 CO 0.08 0.14 -0.05 0.74 0.10 0.00 0.00 179.97 180.98 3f1f h PHE 37 N 0.22 0.21 -0.31 4.08 -1.00 -0.99 -2.06 116.94 117.08 3f1f h PHE 37 Ca 0.31 -0.05 -0.08 0.00 2.81 0.00 0.00 57.97 60.95 3f1f h PHE 37 Cb 0.90 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 40.40 3f1f h PHE 37 CO -0.00 0.56 -0.16 1.96 -1.61 0.00 0.00 178.31 179.06 3f1f h GLN 38 N -0.21 0.54 -0.19 1.51 4.20 0.82 -1.57 115.11 120.21 3f1f h GLN 38 Ca 0.02 -0.17 -0.14 0.00 0.06 0.00 0.00 58.65 58.41 3f1f h GLN 38 Cb 0.51 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3f1f h GLN 38 CO 0.01 0.68 -0.48 0.00 -0.67 0.00 0.00 178.83 178.38 3f1f h ALA 39 N 1.34 0.82 -0.26 3.87 0.00 -0.14 -2.80 119.26 122.09 3f1f h ALA 39 Ca 0.08 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.54 3f1f h ALA 39 Cb 0.56 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3f1f h ALA 39 CO 0.04 0.66 0.13 1.03 0.00 0.00 0.00 179.25 181.11 3f1f h SER 40 N 0.39 0.19 0.19 0.00 0.87 -0.55 0.34 113.55 114.98 3f1f h SER 40 Ca 0.02 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3f1f h SER 40 Cb 0.99 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 3f1f h SER 40 CO 0.09 0.14 0.00 2.30 -0.53 0.00 0.00 176.83 178.83 3f1f n ILE 41 N -4.98 0.44 0.00 2.23 -6.64 -0.82 -4.91 119.36 104.69 3f1f n ILE 41 Ca -0.02 0.11 0.00 0.00 -1.77 0.00 0.00 62.75 61.08 3f1f n ILE 41 Cb 0.07 -0.88 0.00 0.00 -1.44 0.00 0.00 39.64 37.39 3f1f n ILE 41 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3f1f n GLY 42 N -0.09 2.16 3.57 3.28 0.00 0.12 -4.77 105.19 109.46 3f1f n GLY 42 Ca 0.08 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 3f1f n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3f1f s GLN 43 N 0.00 1.72 0.00 1.61 -0.21 -1.26 -3.04 119.66 118.48 3f1f s GLN 43 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 55.36 55.26 3f1f s GLN 43 Cb 0.00 -4.95 0.00 0.00 1.00 0.00 0.00 33.01 29.06 3f1f s GLN 43 CO 0.00 -4.56 0.00 1.28 -2.12 0.00 0.00 175.29 169.89 3f1f n LEU 44 N 17.75 0.00 -3.66 2.90 4.77 -1.26 -5.06 117.00 132.44 3f1f n LEU 44 Ca 0.44 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.27 3f1f n LEU 44 Cb 0.45 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 3f1f n LEU 44 CO 0.58 0.00 0.23 -0.94 -1.33 0.00 0.00 177.39 175.93 3f1f s SER 45 N 0.00 -0.47 -0.39 -1.43 1.04 -1.17 -4.64 113.70 106.65 3f1f s SER 45 Ca 0.00 0.63 0.11 0.00 0.48 0.00 0.00 55.95 57.17 3f1f s SER 45 Cb 0.00 0.65 0.43 0.00 0.10 0.00 0.00 66.02 67.20 3f1f s SER 45 CO 0.00 -0.41 1.02 0.00 0.98 0.00 0.00 173.24 174.83 3f1f n GLN 46 N 1.66 2.32 0.00 4.02 1.13 -1.26 -5.01 117.38 120.23 3f1f n GLN 46 Ca -0.18 -3.91 0.00 0.00 -1.94 0.00 0.00 57.00 50.97 3f1f n GLN 46 Cb 0.56 -1.77 0.00 0.00 0.11 0.00 0.00 30.24 29.14 3f1f n GLN 46 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3f1f n ASN 47 N -0.26 0.00 0.00 1.08 5.03 -1.26 -4.41 115.26 115.44 3f1f n ASN 47 Ca 0.25 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.70 3f1f n ASN 47 Cb 0.73 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.49 3f1f n ASN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3f1f n HIS 48 N 14.00 0.00 -0.15 3.10 1.44 -1.26 -1.96 115.22 130.38 3f1f n HIS 48 Ca 0.00 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.75 3f1f n HIS 48 Cb 0.00 0.00 0.09 0.00 0.12 0.00 0.00 29.99 30.20 3f1f n HIS 48 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3f1f n LYS 49 N 0.00 -0.04 -0.13 -1.40 4.01 -1.26 0.76 118.16 120.10 3f1f n LYS 49 Ca 0.00 0.66 -0.08 0.00 -0.51 0.00 0.00 58.31 58.38 3f1f n LYS 49 Cb 0.00 -1.01 0.07 0.00 -0.51 0.00 0.00 35.03 33.58 3f1f n LYS 49 CO 0.00 0.00 0.00 -0.84 -1.11 0.00 0.00 177.40 175.45 3f1f h ILE 50 N 0.00 1.26 0.21 -0.18 -0.00 -1.77 -1.38 117.51 115.66 3f1f h ILE 50 Ca 0.23 -1.25 -0.34 0.00 -0.00 0.00 0.00 64.86 63.50 3f1f h ILE 50 Cb 0.42 1.04 0.02 0.00 -0.00 0.00 0.00 36.82 38.30 3f1f h ILE 50 CO -0.43 0.43 -1.65 0.08 -0.00 0.00 0.00 178.15 176.59 3f1f h ARG 51 N 0.79 0.44 -0.89 0.16 0.11 0.08 -0.87 114.38 114.20 3f1f h ARG 51 Ca 0.12 -0.76 0.09 0.00 0.10 0.00 0.00 59.98 59.54 3f1f h ARG 51 Cb 0.66 0.28 -0.06 0.00 1.11 0.00 0.00 29.97 31.95 3f1f h ARG 51 CO 0.05 1.36 0.58 -0.44 0.10 0.00 0.00 179.97 181.62 3f1f h ASP 52 N 0.10 0.82 0.06 0.08 3.32 -0.83 0.91 116.42 120.87 3f1f h ASP 52 Ca -0.31 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 3f1f h ASP 52 Cb 2.11 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.51 3f1f h ASP 52 CO 0.21 0.49 -0.03 0.25 -1.72 0.00 0.00 179.24 178.44 3f1f h LEU 53 N 0.91 -0.06 -0.62 1.55 6.46 -1.27 -1.40 115.31 120.88 3f1f h LEU 53 Ca 0.41 -0.54 0.13 0.00 -0.12 0.00 0.00 57.88 57.76 3f1f h LEU 53 Cb 0.38 0.02 -0.11 0.00 -0.73 0.00 0.00 40.66 40.21 3f1f h LEU 53 CO -0.17 0.55 -0.07 0.11 -0.62 0.00 0.00 178.44 178.24 3f1f h LYS 54 N -0.72 0.06 -0.42 1.25 1.57 -0.65 0.05 116.57 117.71 3f1f h LYS 54 Ca -0.01 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 3f1f h LYS 54 Cb 0.60 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 3f1f h LYS 54 CO 0.01 0.04 -0.10 0.00 -0.57 0.00 0.00 179.45 178.83 3f1f h ARG 55 N 0.06 0.75 0.66 3.15 3.08 -0.86 -2.55 114.38 118.67 3f1f h ARG 55 Ca 0.31 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 3f1f h ARG 55 Cb 0.50 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 3f1f h ARG 55 CO -0.58 0.83 -0.40 0.37 -1.07 0.00 0.00 179.97 179.12 3f1f h GLN 56 N 0.69 -0.96 -0.75 0.04 4.15 0.02 -2.24 115.11 116.06 3f1f h GLN 56 Ca 0.12 0.07 0.14 0.00 0.77 0.00 0.00 58.65 59.74 3f1f h GLN 56 Cb 0.57 0.22 -0.14 0.00 0.21 0.00 0.00 27.48 28.34 3f1f h GLN 56 CO 0.04 -0.64 -0.22 -0.89 -1.93 0.00 0.00 178.83 175.19 3f1f n ILE 57 N -4.95 -0.34 0.00 2.39 2.08 -0.15 -0.14 119.36 118.25 3f1f n ILE 57 Ca -0.12 1.72 0.00 0.00 0.56 0.00 0.00 62.75 64.91 3f1f n ILE 57 Cb 0.41 -2.35 0.00 0.00 -0.75 0.00 0.00 39.64 36.95 3f1f n ILE 57 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3f1f n ALA 58 N -3.69 -0.39 -0.28 -1.39 0.00 -0.97 0.99 120.51 114.77 3f1f n ALA 58 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.63 3f1f n ALA 58 Cb 0.35 0.07 0.24 0.00 0.00 0.00 0.00 19.45 20.11 3f1f n ALA 58 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3f1f h ARG 59 N 0.00 0.40 -0.92 0.00 0.11 -0.80 0.81 114.38 113.98 3f1f h ARG 59 Ca 0.00 -0.02 0.07 0.00 0.10 0.00 0.00 59.98 60.13 3f1f h ARG 59 Cb 0.00 -0.09 -0.07 0.00 1.11 0.00 0.00 29.97 30.92 3f1f h ARG 59 CO 0.00 0.26 0.58 1.25 0.10 0.00 0.00 179.97 182.16 3f1f h LEU 60 N 0.41 0.91 -1.98 0.08 6.46 -0.32 0.27 115.31 121.14 3f1f h LEU 60 Ca 0.48 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 58.33 3f1f h LEU 60 Cb 0.81 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 3f1f h LEU 60 CO -0.47 0.56 0.40 -0.07 -0.62 0.00 0.00 178.44 178.25 3f1f h LEU 61 N 1.03 0.00 -0.86 2.25 3.38 0.77 -3.50 115.31 118.38 3f1f h LEU 61 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3f1f h LEU 61 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3f1f h LEU 61 CO -0.19 0.00 0.00 0.41 0.09 0.00 0.00 178.44 178.75