#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1be3 s ALA 2 N 0.00 1.05 0.25 3.52 0.00 -1.26 -5.14 121.76 120.19 1be3 s ALA 2 Ca 0.00 -1.32 -0.30 0.00 0.00 0.00 0.00 51.96 50.35 1be3 s ALA 2 Cb 0.00 0.12 -0.09 0.00 0.00 0.00 0.00 23.12 23.14 1be3 s ALA 2 CO 0.00 -0.17 1.25 -2.14 0.00 0.00 0.00 175.76 174.70 1be3 s PRO 3 N -3.55 4.45 0.87 0.00 0.02 -1.26 -5.01 135.00 130.52 1be3 s PRO 3 Ca 0.10 2.03 -0.14 0.00 0.02 0.00 0.00 61.00 63.01 1be3 s PRO 3 Cb 0.03 -3.16 0.01 0.00 0.02 0.00 0.00 34.50 31.40 1be3 s PRO 3 CO -0.03 -0.11 0.44 2.41 -0.33 0.00 0.00 177.00 179.38 1be3 n THR 4 N 1.75 0.64 -0.25 0.99 -1.04 -1.26 -4.48 114.28 110.62 1be3 n THR 4 Ca 0.02 -0.27 0.06 0.00 -2.04 0.00 0.00 64.05 61.82 1be3 n THR 4 Cb 0.43 -0.66 0.19 0.00 -1.82 0.00 0.00 70.33 68.47 1be3 n THR 4 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1be3 h LEU 5 N -1.14 0.18 -0.02 -4.42 3.38 -2.00 -0.56 115.31 110.72 1be3 h LEU 5 Ca -0.44 0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.68 1be3 h LEU 5 Cb 1.30 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 1be3 h LEU 5 CO 0.37 0.04 -0.16 0.71 0.09 0.00 0.00 178.44 179.49 1be3 h THR 6 N 0.37 0.60 -0.76 0.22 1.35 -1.99 -0.84 112.91 111.86 1be3 h THR 6 Ca 0.42 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 66.32 1be3 h THR 6 Cb 0.67 0.60 -0.05 0.00 -1.73 0.00 0.00 68.15 67.65 1be3 h THR 6 CO -0.45 0.00 0.50 0.00 -0.25 0.00 0.00 175.52 175.32 1be3 h ALA 7 N 0.69 1.60 0.64 6.62 0.00 -1.46 0.43 119.26 127.77 1be3 h ALA 7 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1be3 h ALA 7 Cb 0.33 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1be3 h ALA 7 CO -0.17 0.30 -0.31 0.00 0.00 0.00 0.00 179.25 179.08 1be3 h ARG 8 N 0.88 -0.83 -0.72 0.00 3.08 0.16 -1.90 114.38 115.05 1be3 h ARG 8 Ca 0.31 0.06 0.15 0.00 0.07 0.00 0.00 59.98 60.58 1be3 h ARG 8 Cb 0.14 0.19 -0.13 0.00 0.08 0.00 0.00 29.97 30.25 1be3 h ARG 8 CO -0.10 -0.54 -0.07 1.25 -1.07 0.00 0.00 179.97 179.44 1be3 h LEU 9 N -0.90 -0.48 0.12 3.04 5.85 -0.49 -1.32 115.31 121.13 1be3 h LEU 9 Ca -0.09 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1be3 h LEU 9 Cb 0.67 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 1be3 h LEU 9 CO 0.14 -0.20 -0.33 0.22 -0.34 0.00 0.00 178.44 177.94 1be3 h TYR 10 N 0.06 -0.94 0.00 1.25 5.03 0.07 -0.32 116.97 122.12 1be3 h TYR 10 Ca 0.37 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.70 1be3 h TYR 10 Cb 0.62 0.39 0.00 0.00 1.55 0.00 0.00 36.73 39.29 1be3 h TYR 10 CO -0.48 -0.38 0.00 -1.13 -1.32 0.00 0.00 178.16 174.85 1be3 n SER 11 N -4.31 0.55 -0.03 -2.11 3.41 -0.74 -1.06 113.62 109.33 1be3 n SER 11 Ca -0.06 0.65 -0.18 0.00 -0.26 0.00 0.00 58.87 59.02 1be3 n SER 11 Cb 0.26 -0.76 -0.14 0.00 -0.26 0.00 0.00 64.21 63.31 1be3 n SER 11 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1be3 n LEU 12 N -2.13 2.36 0.00 1.04 7.94 -0.51 -4.80 117.00 120.91 1be3 n LEU 12 Ca 0.02 0.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.07 1be3 n LEU 12 Cb 0.18 -0.84 0.00 0.00 0.53 0.00 0.00 43.42 43.30 1be3 n LEU 12 CO 0.17 0.80 -0.46 0.18 -1.11 0.00 0.00 177.39 176.96 1be3 n LEU 13 N -3.35 0.00 -0.05 -1.96 4.77 -0.15 -4.86 117.00 111.41 1be3 n LEU 13 Ca -0.33 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.66 1be3 n LEU 13 Cb 1.04 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.97 1be3 n LEU 13 CO 0.40 0.00 -0.90 0.49 -1.33 0.00 0.00 177.39 176.05 1be3 n PHE 14 N -1.83 0.08 -0.03 -1.77 3.72 -0.22 -1.78 117.46 115.63 1be3 n PHE 14 Ca 0.00 0.03 -0.05 0.00 -0.05 0.00 0.00 57.45 57.38 1be3 n PHE 14 Cb 0.41 -0.77 -0.03 0.00 -0.94 0.00 0.00 39.48 38.15 1be3 n PHE 14 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1be3 h ARG 15 N 0.00 -0.14 -6.33 -1.08 2.43 -1.75 -3.35 114.38 104.15 1be3 h ARG 15 Ca -0.26 0.01 -0.57 0.00 -0.81 0.00 0.00 59.98 58.35 1be3 h ARG 15 Cb 1.60 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 31.13 1be3 h ARG 15 CO 0.02 -0.10 0.93 1.03 -1.51 0.00 0.00 179.97 180.34 1be3 s ARG 16 N -3.86 3.98 0.52 0.20 0.52 -1.26 -4.91 118.95 114.14 1be3 s ARG 16 Ca -0.05 1.23 0.25 0.00 -0.52 0.00 0.00 55.73 56.65 1be3 s ARG 16 Cb 0.03 -3.83 1.37 0.00 0.52 0.00 0.00 34.95 33.03 1be3 s ARG 16 CO 0.20 -1.03 1.96 1.79 0.02 0.00 0.00 175.30 178.23 1be3 h THR 17 N 5.87 0.69 -0.32 0.02 1.35 -1.89 0.35 112.91 118.98 1be3 h THR 17 Ca -0.25 -0.02 0.04 0.00 -0.55 0.00 0.00 66.41 65.63 1be3 h THR 17 Cb 1.09 0.62 -0.04 0.00 -1.73 0.00 0.00 68.15 68.10 1be3 h THR 17 CO 1.03 0.01 0.10 -1.28 -0.25 0.00 0.00 175.52 175.13 1be3 h SER 18 N 0.06 0.09 -0.72 5.36 0.87 -1.93 0.59 113.55 117.87 1be3 h SER 18 Ca 0.32 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.86 1be3 h SER 18 Cb 1.18 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.14 1be3 h SER 18 CO -0.02 0.08 0.22 0.71 -0.53 0.00 0.00 176.83 177.29 1be3 h THR 19 N 0.23 1.26 -0.19 2.23 1.35 -0.71 -1.81 112.91 115.26 1be3 h THR 19 Ca 0.15 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1be3 h THR 19 Cb 0.13 0.48 -0.01 0.00 -1.73 0.00 0.00 68.15 67.02 1be3 h THR 19 CO -0.16 0.35 0.13 0.15 -0.25 0.00 0.00 175.52 175.73 1be3 h PHE 20 N 1.06 0.24 0.30 4.73 3.04 0.68 0.17 116.94 127.17 1be3 h PHE 20 Ca 0.23 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.17 1be3 h PHE 20 Cb 0.31 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 38.73 1be3 h PHE 20 CO 0.02 0.16 -0.19 0.00 -2.02 0.00 0.00 178.31 176.28 1be3 h ALA 21 N 1.06 -1.03 -0.50 2.41 0.00 0.20 -2.28 119.26 119.12 1be3 h ALA 21 Ca 0.07 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1be3 h ALA 21 Cb -0.02 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1be3 h ALA 21 CO -0.01 -1.01 -0.29 -0.11 0.00 0.00 0.00 179.25 177.82 1be3 n LEU 22 N -3.48 -0.53 -0.09 0.00 7.94 -0.69 0.48 117.00 120.62 1be3 n LEU 22 Ca -0.06 0.89 -0.04 0.00 -1.11 0.00 0.00 56.01 55.69 1be3 n LEU 22 Cb 0.20 -0.12 -0.03 0.00 0.53 0.00 0.00 43.42 44.00 1be3 n LEU 22 CO 0.13 -0.73 0.50 0.74 -1.11 0.00 0.00 177.39 176.92 1be3 h THR 23 N 0.00 0.00 -0.81 1.96 2.02 -0.75 -1.10 112.91 114.22 1be3 h THR 23 Ca 0.08 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.46 1be3 h THR 23 Cb 0.20 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.48 1be3 h THR 23 CO -0.47 0.00 0.14 0.40 0.37 0.00 0.00 175.52 175.96 1be3 h ILE 24 N -0.06 0.36 0.33 3.11 5.03 0.61 0.16 117.51 127.05 1be3 h ILE 24 Ca 0.04 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.72 1be3 h ILE 24 Cb 0.16 0.16 -0.03 0.00 -3.03 0.00 0.00 36.82 34.09 1be3 h ILE 24 CO -0.26 0.03 -0.37 0.58 -0.68 0.00 0.00 178.15 177.46 1be3 h VAL 25 N 0.18 0.24 -0.19 1.67 2.07 0.29 0.22 116.25 120.74 1be3 h VAL 25 Ca 0.48 0.00 0.01 0.00 0.82 0.00 0.00 66.70 68.01 1be3 h VAL 25 Cb 0.90 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1be3 h VAL 25 CO -0.64 0.00 0.10 0.58 0.02 0.00 0.00 177.57 177.63 1be3 h VAL 26 N -0.74 1.01 -0.89 2.57 2.07 -0.20 -2.76 116.25 117.32 1be3 h VAL 26 Ca -0.02 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1be3 h VAL 26 Cb 0.68 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1be3 h VAL 26 CO -0.09 0.04 0.52 1.23 0.02 0.00 0.00 177.57 179.29 1be3 h GLY 27 N 0.22 1.29 0.80 2.17 0.00 -0.64 -0.61 103.07 106.30 1be3 h GLY 27 Ca 0.07 -0.55 0.14 0.00 0.00 0.00 0.00 47.33 46.99 1be3 h GLY 27 CO -0.04 0.53 0.46 0.00 0.00 0.00 0.00 176.54 177.49 1be3 h ALA 28 N 1.34 2.19 0.17 3.60 0.00 -0.32 0.24 119.26 126.47 1be3 h ALA 28 Ca 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1be3 h ALA 28 Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1be3 h ALA 28 CO -0.06 -0.37 -0.08 1.25 0.00 0.00 0.00 179.25 180.00 1be3 h LEU 29 N 0.32 -0.19 -0.67 0.00 5.85 -0.89 -2.83 115.31 116.90 1be3 h LEU 29 Ca 0.33 0.01 0.14 0.00 0.84 0.00 0.00 57.88 59.19 1be3 h LEU 29 Cb 0.83 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.81 1be3 h LEU 29 CO -0.09 0.13 0.14 -0.26 -0.34 0.00 0.00 178.44 178.03 1be3 h PHE 30 N -0.76 0.21 -0.52 1.25 -1.00 -1.10 -2.09 116.94 112.94 1be3 h PHE 30 Ca -0.02 0.04 -0.05 0.00 2.81 0.00 0.00 57.97 60.75 1be3 h PHE 30 Cb 0.17 0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 1be3 h PHE 30 CO 0.02 -0.07 0.12 0.35 -1.61 0.00 0.00 178.31 177.12 1be3 h PHE 31 N 0.25 0.88 -0.31 -0.55 3.04 -0.66 -2.52 116.94 117.07 1be3 h PHE 31 Ca 0.36 -0.11 0.05 0.00 3.98 0.00 0.00 57.97 62.26 1be3 h PHE 31 Cb 0.59 -0.25 -0.08 0.00 2.56 0.00 0.00 35.95 38.77 1be3 h PHE 31 CO -0.27 0.78 -0.51 1.05 -2.02 0.00 0.00 178.31 177.34 1be3 h GLU 32 N 0.73 -0.42 -0.64 1.11 4.11 -1.11 -0.05 114.58 118.30 1be3 h GLU 32 Ca 0.16 0.03 0.04 0.00 0.07 0.00 0.00 59.36 59.66 1be3 h GLU 32 Cb 0.34 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1be3 h GLU 32 CO 0.00 -0.28 0.38 0.00 0.07 0.00 0.00 179.01 179.18 1be3 h ARG 33 N -0.44 0.72 -0.19 1.06 3.08 -1.38 0.92 114.38 118.15 1be3 h ARG 33 Ca 0.08 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1be3 h ARG 33 Cb 0.62 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 1be3 h ARG 33 CO -0.53 0.48 -0.13 0.00 -1.07 0.00 0.00 179.97 178.72 1be3 h ALA 34 N 1.29 0.27 -0.34 0.04 0.00 -1.11 -0.86 119.26 118.56 1be3 h ALA 34 Ca 0.27 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1be3 h ALA 34 Cb 0.06 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1be3 h ALA 34 CO -0.12 0.14 -0.19 0.35 0.00 0.00 0.00 179.25 179.42 1be3 h PHE 35 N 0.10 -0.48 0.44 0.00 3.57 0.96 0.86 116.94 122.38 1be3 h PHE 35 Ca 0.04 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1be3 h PHE 35 Cb 0.63 0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1be3 h PHE 35 CO 0.07 -0.27 -0.22 -0.44 -2.23 0.00 0.00 178.31 175.22 1be3 h ASP 36 N -0.14 -0.53 -0.49 0.41 3.32 -0.92 0.90 116.42 118.97 1be3 h ASP 36 Ca 0.17 0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.33 1be3 h ASP 36 Cb 0.41 0.14 -0.07 0.00 0.22 0.00 0.00 39.33 40.03 1be3 h ASP 36 CO -0.43 -0.37 0.06 -0.61 -1.72 0.00 0.00 179.24 176.18 1be3 h GLN 37 N -0.60 0.18 0.20 3.56 4.15 -0.07 0.85 115.11 123.37 1be3 h GLN 37 Ca -0.06 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 1be3 h GLN 37 Cb 0.47 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.12 1be3 h GLN 37 CO 0.09 0.12 -0.09 0.78 -1.93 0.00 0.00 178.83 177.79 1be3 h GLY 38 N 0.18 -0.27 0.94 2.39 0.00 0.11 -2.48 103.07 103.94 1be3 h GLY 38 Ca 0.25 0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.69 1be3 h GLY 38 CO -0.36 -0.10 0.25 0.00 0.00 0.00 0.00 176.54 176.33 1be3 h ALA 39 N 0.08 0.51 0.57 3.60 0.00 0.13 0.56 119.26 124.71 1be3 h ALA 39 Ca -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1be3 h ALA 39 Cb 0.45 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1be3 h ALA 39 CO 0.04 -0.07 -0.47 -0.44 0.00 0.00 0.00 179.25 178.31 1be3 h ASP 40 N 0.50 -1.24 -0.66 0.00 3.32 0.66 -1.23 116.42 117.78 1be3 h ASP 40 Ca 0.15 0.09 0.10 0.00 0.02 0.00 0.00 57.03 57.39 1be3 h ASP 40 Cb -0.02 0.39 -0.11 0.00 0.22 0.00 0.00 39.33 39.81 1be3 h ASP 40 CO -0.06 -0.66 -0.44 0.00 -1.72 0.00 0.00 179.24 176.37 1be3 h ALA 41 N -0.82 -0.28 -0.79 3.45 0.00 -0.97 0.64 119.26 120.49 1be3 h ALA 41 Ca -0.07 0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.11 1be3 h ALA 41 Cb 0.86 0.99 -0.14 0.00 0.00 0.00 0.00 17.79 19.50 1be3 h ALA 41 CO -0.00 -0.81 -0.33 0.82 0.00 0.00 0.00 179.25 178.92 1be3 h ILE 42 N -0.18 0.10 0.82 0.00 1.08 -0.59 0.43 117.51 119.18 1be3 h ILE 42 Ca 0.20 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.63 1be3 h ILE 42 Cb 0.56 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.41 1be3 h ILE 42 CO -0.74 0.00 -0.43 0.22 -0.69 0.00 0.00 178.15 176.51 1be3 h TYR 43 N -0.07 -1.13 -0.78 1.37 3.20 0.14 -2.10 116.97 117.61 1be3 h TYR 43 Ca 0.31 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.33 1be3 h TYR 43 Cb 0.58 0.38 -0.05 0.00 1.54 0.00 0.00 36.73 39.19 1be3 h TYR 43 CO -0.73 -0.68 0.53 0.93 -1.64 0.00 0.00 178.16 176.57 1be3 h GLU 44 N -1.15 0.31 -0.82 1.82 5.08 -0.31 0.48 114.58 119.99 1be3 h GLU 44 Ca -0.11 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1be3 h GLU 44 Cb 0.90 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 1be3 h GLU 44 CO 0.16 0.21 0.54 1.25 -1.00 0.00 0.00 179.01 180.17 1be3 h HIS 45 N 0.32 1.03 0.00 4.33 2.76 0.51 -2.91 115.15 121.20 1be3 h HIS 45 Ca 0.39 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.58 1be3 h HIS 45 Cb 1.03 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 29.64 1be3 h HIS 45 CO -0.00 0.65 0.00 0.82 -1.30 0.00 0.00 177.93 178.10 1be3 h ILE 46 N 1.11 0.00 -2.16 6.26 2.04 0.39 -2.98 117.51 122.18 1be3 h ILE 46 Ca 0.30 -0.28 -0.57 0.00 1.00 0.00 0.00 64.86 65.31 1be3 h ILE 46 Cb -0.13 1.18 -0.41 0.00 -0.74 0.00 0.00 36.82 36.72 1be3 h ILE 46 CO -0.06 0.00 -0.80 0.59 0.00 0.00 0.00 178.15 177.87 1be3 n ASN 47 N -2.86 2.86 -4.69 1.72 3.02 -1.10 -5.07 115.26 109.15 1be3 n ASN 47 Ca -0.00 -3.31 -0.42 0.00 -0.03 0.00 0.00 54.58 50.81 1be3 n ASN 47 Cb 0.20 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 38.72 1be3 n ASN 47 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1be3 s GLU 48 N -2.56 4.18 0.00 3.52 2.02 -1.13 -2.37 118.70 122.36 1be3 s GLU 48 Ca 0.42 2.42 0.00 0.00 0.02 0.00 0.00 54.97 57.83 1be3 s GLU 48 Cb 0.23 -3.59 0.00 0.00 0.10 0.00 0.00 34.13 30.87 1be3 s GLU 48 CO -0.08 -0.77 0.00 0.41 0.02 0.00 0.00 175.26 174.84 1be3 n GLY 49 N 4.07 0.27 0.11 -1.39 0.00 -1.26 -4.80 105.19 102.18 1be3 n GLY 49 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1be3 n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1be3 h LYS 50 N 0.73 0.00 -5.91 1.61 1.57 -1.85 -3.44 116.57 109.28 1be3 h LYS 50 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 1be3 h LYS 50 Cb 0.27 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.46 1be3 h LYS 50 CO 0.00 0.46 -0.58 -0.51 -0.57 0.00 0.00 179.45 178.25 1be3 s LEU 51 N -6.20 3.82 0.21 2.94 1.43 -1.26 -4.99 118.68 114.64 1be3 s LEU 51 Ca 0.01 0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.36 1be3 s LEU 51 Cb 0.08 -1.97 0.59 0.00 0.03 0.00 0.00 46.19 44.92 1be3 s LEU 51 CO 0.78 0.36 1.03 -2.67 0.23 0.00 0.00 176.35 176.09 1be3 n TRP 52 N 1.90 0.50 -0.28 0.29 -0.00 -1.26 0.11 117.44 118.69 1be3 n TRP 52 Ca -0.18 0.79 0.03 0.00 -0.00 0.00 0.00 57.50 58.14 1be3 n TRP 52 Cb 0.54 -1.04 0.11 0.00 -0.00 0.00 0.00 31.31 30.92 1be3 n TRP 52 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 177.69 177.47 1be3 h LYS 53 N 0.00 0.01 -0.08 -2.67 3.64 -1.98 0.56 116.57 116.05 1be3 h LYS 53 Ca 0.43 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.71 1be3 h LYS 53 Cb 0.97 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1be3 h LYS 53 CO -0.59 0.00 -0.44 0.45 -2.27 0.00 0.00 179.45 176.60 1be3 h HIS 54 N 0.01 0.23 -0.02 1.91 3.86 -0.68 -3.33 115.15 117.13 1be3 h HIS 54 Ca 0.40 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1be3 h HIS 54 Cb 0.62 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1be3 h HIS 54 CO -0.62 0.60 -0.28 -0.89 0.86 0.00 0.00 177.93 177.61 1be3 n ILE 55 N -4.00 0.00 0.26 2.45 5.41 0.17 -4.56 119.36 119.09 1be3 n ILE 55 Ca -0.02 -0.36 0.18 0.00 1.00 0.00 0.00 62.75 63.55 1be3 n ILE 55 Cb 0.49 1.33 0.92 0.00 -0.71 0.00 0.00 39.64 41.67 1be3 n ILE 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1be3 h LYS 56 N 3.09 0.00 -0.49 0.38 3.64 -0.96 -3.15 116.57 119.08 1be3 h LYS 56 Ca 0.00 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1be3 h LYS 56 Cb 0.80 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.52 1be3 h LYS 56 CO 0.00 0.00 -0.14 0.45 -2.27 0.00 0.00 179.45 177.49 1be3 h HIS 57 N 0.00 -0.32 -0.37 1.91 3.86 -1.87 -3.25 115.15 115.12 1be3 h HIS 57 Ca 0.04 0.05 0.04 0.00 -1.16 0.00 0.00 60.37 59.34 1be3 h HIS 57 Cb 0.31 0.22 -0.05 0.00 1.06 0.00 0.00 27.41 28.95 1be3 h HIS 57 CO 0.00 -0.23 -0.31 1.57 0.86 0.00 0.00 177.93 179.82 1be3 h LYS 58 N -0.02 -0.11 -2.40 2.45 -0.00 -1.92 -2.91 116.57 111.65 1be3 h LYS 58 Ca 0.23 0.01 -0.73 0.00 -0.00 0.00 0.00 60.65 60.16 1be3 h LYS 58 Cb 0.38 0.03 -0.33 0.00 -0.00 0.00 0.00 32.23 32.31 1be3 h LYS 58 CO -0.52 -0.08 0.36 0.98 -0.00 0.00 0.00 179.45 180.20 1be3 n TYR 59 N -4.18 3.08 -3.78 0.07 4.19 -1.23 -4.95 117.16 110.37 1be3 n TYR 59 Ca -0.01 -3.12 -0.27 0.00 3.31 0.00 0.00 57.90 57.81 1be3 n TYR 59 Cb 0.16 -0.95 -0.17 0.00 0.49 0.00 0.00 39.34 38.88 1be3 n TYR 59 CO 0.00 0.00 0.00 -1.83 0.91 0.00 0.00 176.86 175.94 1be3 s GLU 60 N -3.55 0.81 -0.85 2.98 -1.05 -1.10 -4.88 118.70 111.06 1be3 s GLU 60 Ca 0.40 -0.34 -0.04 0.00 -0.15 0.00 0.00 54.97 54.83 1be3 s GLU 60 Cb 0.18 -1.87 -0.01 0.00 -0.44 0.00 0.00 34.13 31.99 1be3 s GLU 60 CO -0.06 -0.53 0.71 -1.71 0.95 0.00 0.00 175.26 174.62 1be3 n ASN 61 N 5.03 -6.58 0.00 0.83 2.85 -1.26 -4.98 115.26 111.15 1be3 n ASN 61 Ca -0.09 -0.50 0.00 0.00 -0.11 0.00 0.00 54.58 53.87 1be3 n ASN 61 Cb 0.48 -4.09 0.00 0.00 1.24 0.00 0.00 39.78 37.40 1be3 n ASN 61 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44