#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l72 n GLU 10 N 0.00 1.45 -3.38 0.00 1.02 -1.26 -4.57 120.64 113.90 3l72 n GLU 10 Ca 0.00 -0.80 0.00 0.00 -0.02 0.00 0.00 57.16 56.34 3l72 n GLU 10 Cb 0.00 -1.94 -0.03 0.00 -0.02 0.00 0.00 31.44 29.45 3l72 n GLU 10 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3l72 s GLU 11 N 2.02 0.54 -0.05 3.49 2.02 -1.26 -5.15 118.70 120.30 3l72 s GLU 11 Ca 0.42 1.14 -0.01 0.00 0.02 0.00 0.00 54.97 56.54 3l72 s GLU 11 Cb 0.18 0.58 0.03 0.00 0.10 0.00 0.00 34.13 35.02 3l72 s GLU 11 CO -0.01 -0.45 -0.00 -2.00 0.02 0.00 0.00 175.26 172.83 3l72 s GLU 12 N 2.83 0.51 -0.13 1.61 -6.30 -1.26 -5.12 118.70 110.84 3l72 s GLU 12 Ca 0.09 0.09 -0.31 0.00 -2.50 0.00 0.00 54.97 52.34 3l72 s GLU 12 Cb -0.14 -0.79 -0.09 0.00 0.00 0.00 0.00 34.13 33.11 3l72 s GLU 12 CO -0.19 -0.23 2.06 -0.11 0.02 0.00 0.00 175.26 176.81 3l72 n LEU 13 N 4.75 3.43 -4.17 2.70 7.94 -1.26 -5.02 117.00 125.37 3l72 n LEU 13 Ca -0.14 0.63 -0.25 0.00 -1.11 0.00 0.00 56.01 55.14 3l72 n LEU 13 Cb 0.50 -1.46 -0.15 0.00 0.53 0.00 0.00 43.42 42.84 3l72 n LEU 13 CO 0.15 -0.27 -0.50 -0.69 -1.11 0.00 0.00 177.39 174.96 3l72 s VAL 14 N 5.99 1.40 -0.63 1.96 1.01 -1.26 -5.09 120.40 123.78 3l72 s VAL 14 Ca 0.96 -0.78 -0.24 0.00 0.00 0.00 0.00 61.98 61.93 3l72 s VAL 14 Cb -0.52 -1.17 0.05 0.00 0.00 0.00 0.00 36.38 34.74 3l72 s VAL 14 CO 0.43 0.38 1.00 -0.62 0.00 0.00 0.00 175.10 176.29 3l72 s ASP 15 N -0.46 6.23 0.64 3.32 3.68 -1.26 -4.87 116.67 123.95 3l72 s ASP 15 Ca 0.07 -0.69 0.16 0.00 2.13 0.00 0.00 52.55 54.23 3l72 s ASP 15 Cb -0.07 -2.45 0.75 0.00 -1.45 0.00 0.00 42.92 39.71 3l72 s ASP 15 CO -0.01 -1.42 1.38 1.55 0.13 0.00 0.00 175.17 176.80 3l72 h PRO 16 N 9.54 0.00 0.81 4.34 0.13 -1.96 0.11 132.00 144.97 3l72 h PRO 16 Ca -0.28 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.81 3l72 h PRO 16 Cb 1.07 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.21 3l72 h PRO 16 CO 1.16 0.00 -0.39 1.25 -0.23 0.00 0.00 178.00 179.80 3l72 h LEU 17 N 0.00 -0.92 -1.77 1.56 5.85 -1.92 -1.40 115.31 116.71 3l72 h LEU 17 Ca 0.14 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.90 3l72 h LEU 17 Cb 1.83 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 43.08 3l72 h LEU 17 CO -0.00 -0.61 0.19 0.71 -0.34 0.00 0.00 178.44 178.38 3l72 h THR 18 N -1.17 1.03 0.44 1.05 1.35 -1.19 0.20 112.91 114.63 3l72 h THR 18 Ca -0.11 -0.11 -0.02 0.00 -0.55 0.00 0.00 66.41 65.62 3l72 h THR 18 Cb 0.84 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3l72 h THR 18 CO 0.18 0.06 -0.21 0.74 -0.25 0.00 0.00 175.52 176.04 3l72 h THR 19 N 0.31 0.50 0.00 6.82 2.02 -1.38 -2.48 112.91 118.70 3l72 h THR 19 Ca 0.11 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 3l72 h THR 19 Cb 0.06 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3l72 h THR 19 CO -0.02 0.07 -0.19 0.40 0.37 0.00 0.00 175.52 176.15 3l72 h ILE 20 N -0.85 0.73 -0.58 3.11 2.04 -0.95 -1.30 117.51 119.71 3l72 h ILE 20 Ca -0.06 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 64.98 3l72 h ILE 20 Cb 0.56 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 3l72 h ILE 20 CO 0.10 0.18 0.14 0.03 0.00 0.00 0.00 178.15 178.60 3l72 h ARG 21 N 0.00 0.90 0.20 2.37 2.47 -0.50 -2.19 114.38 117.63 3l72 h ARG 21 Ca -0.00 -0.19 -0.01 0.00 -1.26 0.00 0.00 59.98 58.52 3l72 h ARG 21 Cb 0.46 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 3l72 h ARG 21 CO 0.02 0.80 -0.10 0.93 0.56 0.00 0.00 179.97 182.19 3l72 h GLU 22 N 0.86 -0.26 -0.88 0.04 5.08 -0.79 -2.67 114.58 115.96 3l72 h GLU 22 Ca 0.19 0.02 0.37 0.00 -1.00 0.00 0.00 59.36 58.93 3l72 h GLU 22 Cb 0.31 0.06 -0.15 0.00 0.50 0.00 0.00 28.75 29.47 3l72 h GLU 22 CO -0.00 -0.17 0.48 1.58 -1.00 0.00 0.00 179.01 179.90 3l72 n HIS 23 N -3.10 1.00 -0.05 4.33 -0.00 -0.81 0.15 115.22 116.74 3l72 n HIS 23 Ca -0.03 1.01 -0.15 0.00 0.46 0.00 0.00 57.72 59.01 3l72 n HIS 23 Cb 0.11 -1.42 -0.07 0.00 -0.12 0.00 0.00 29.99 28.48 3l72 n HIS 23 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3l72 h GLU 25 N 0.13 0.00 -0.40 0.00 5.08 0.07 0.43 114.58 119.88 3l72 h GLU 25 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3l72 h GLU 25 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3l72 h GLU 25 CO 0.08 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.13 3l72 n GLN 26 N -2.74 1.81 -3.24 2.33 1.13 -1.16 -3.73 117.38 111.78 3l72 n GLN 26 Ca -0.02 -1.01 -0.39 0.00 -1.94 0.00 0.00 57.00 53.64 3l72 n GLN 26 Cb 0.23 -1.34 -0.06 0.00 0.11 0.00 0.00 30.24 29.18 3l72 n GLN 26 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3l72 s THR 27 N -1.64 4.72 0.32 5.09 2.01 0.15 -4.91 115.64 121.37 3l72 s THR 27 Ca 0.18 1.26 0.08 0.00 0.31 0.00 0.00 61.69 63.53 3l72 s THR 27 Cb 0.11 -3.92 0.33 0.00 0.01 0.00 0.00 72.50 69.03 3l72 s THR 27 CO 0.11 0.54 1.64 -0.08 -0.69 0.00 0.00 174.62 176.13 3l72 h GLU 28 N 4.62 0.19 -0.36 4.92 4.81 -1.89 0.21 114.58 127.08 3l72 h GLU 28 Ca -0.49 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 58.58 3l72 h GLU 28 Cb 1.21 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 3l72 h GLU 28 CO 0.64 0.13 -0.36 0.87 -0.73 0.00 0.00 179.01 179.56 3l72 h LYS 29 N 0.20 0.84 -0.02 1.92 1.57 -1.93 -2.45 116.57 116.69 3l72 h LYS 29 Ca 0.65 -0.42 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 3l72 h LYS 29 Cb 1.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.74 3l72 h LYS 29 CO -0.69 1.06 -0.14 0.00 -0.57 0.00 0.00 179.45 179.11 3l72 h VAL 31 N -0.49 0.37 -0.99 0.00 2.07 -0.71 2.49 116.25 118.99 3l72 h VAL 31 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 3l72 h VAL 31 Cb 0.83 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 3l72 h VAL 31 CO 0.03 0.00 0.65 0.11 0.02 0.00 0.00 177.57 178.38 3l72 h LYS 32 N -0.10 1.31 0.01 1.57 1.57 -1.49 0.56 116.57 120.00 3l72 h LYS 32 Ca 0.23 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3l72 h LYS 32 Cb 0.46 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3l72 h LYS 32 CO -0.55 0.87 -0.14 0.00 -0.57 0.00 0.00 179.45 179.05 3l72 h ALA 33 N 1.37 0.01 -0.63 3.86 0.00 -0.73 -2.56 119.26 120.58 3l72 h ALA 33 Ca 0.36 -0.46 0.18 0.00 0.00 0.00 0.00 54.91 55.00 3l72 h ALA 33 Cb -0.15 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3l72 h ALA 33 CO -0.08 0.02 0.52 -0.09 0.00 0.00 0.00 179.25 179.62 3l72 h ARG 34 N -0.69 0.00 0.19 0.00 9.65 0.44 -1.29 114.38 122.68 3l72 h ARG 34 Ca -0.02 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 3l72 h ARG 34 Cb 0.96 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.54 3l72 h ARG 34 CO 0.03 0.00 -0.09 1.49 2.80 0.00 0.00 179.97 184.20 3l72 h GLU 35 N 0.00 -0.24 -1.23 0.20 4.81 -0.84 -3.06 114.58 114.21 3l72 h GLU 35 Ca 0.30 0.02 0.35 0.00 -0.13 0.00 0.00 59.36 59.90 3l72 h GLU 35 Cb 1.34 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.71 3l72 h GLU 35 CO -0.00 -0.16 0.86 0.00 -0.73 0.00 0.00 179.01 178.98 3l72 h ARG 36 N -1.00 0.08 0.18 1.92 3.08 -0.94 -2.11 114.38 115.59 3l72 h ARG 36 Ca -0.03 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3l72 h ARG 36 Cb 0.19 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3l72 h ARG 36 CO 0.04 0.06 -0.08 1.25 -1.07 0.00 0.00 179.97 180.16 3l72 h LEU 37 N 0.09 -0.20 -1.13 3.04 5.85 -1.33 -2.84 115.31 118.79 3l72 h LEU 37 Ca 0.62 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.35 3l72 h LEU 37 Cb 2.26 0.05 0.00 0.00 0.37 0.00 0.00 40.66 43.34 3l72 h LEU 37 CO -0.10 -0.08 0.44 -0.33 -0.34 0.00 0.00 178.44 178.04 3l72 h GLU 38 N -0.37 0.00 0.18 1.25 5.08 -1.29 0.71 114.58 120.14 3l72 h GLU 38 Ca -0.02 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.08 3l72 h GLU 38 Cb 0.18 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.46 3l72 h GLU 38 CO 0.04 0.00 -1.10 -0.07 -1.00 0.00 0.00 179.01 176.88 3l72 h LEU 39 N 0.00 0.65 0.84 1.33 3.38 -1.40 -2.69 115.31 117.43 3l72 h LEU 39 Ca 0.00 -0.92 -0.04 0.00 0.09 0.00 0.00 57.88 57.01 3l72 h LEU 39 Cb 0.88 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.43 3l72 h LEU 39 CO 0.00 1.53 -0.40 0.00 0.09 0.00 0.00 178.44 179.66 3l72 n ASP 41 N -5.05 -0.76 -0.15 0.00 2.03 -0.61 -0.23 116.55 111.78 3l72 n ASP 41 Ca -0.14 1.40 -0.04 0.00 0.52 0.00 0.00 54.79 56.53 3l72 n ASP 41 Cb 0.44 -0.22 -0.04 0.00 -0.72 0.00 0.00 41.12 40.59 3l72 n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3l72 h ALA 42 N 0.57 -0.25 -0.57 -1.67 0.00 -1.30 0.46 119.26 116.50 3l72 h ALA 42 Ca 0.16 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3l72 h ALA 42 Cb 0.36 1.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 3l72 h ALA 42 CO -0.75 -0.40 0.08 0.07 0.00 0.00 0.00 179.25 178.25 3l72 h ARG 43 N -0.02 0.92 -0.51 0.00 0.11 -0.53 -1.37 114.38 112.97 3l72 h ARG 43 Ca 0.06 -0.23 -0.08 0.00 0.10 0.00 0.00 59.98 59.83 3l72 h ARG 43 Cb 0.17 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 31.11 3l72 h ARG 43 CO -0.35 0.86 0.01 0.28 0.10 0.00 0.00 179.97 180.88 3l72 h VAL 44 N 0.87 1.25 -0.40 0.08 2.07 0.27 -3.03 116.25 117.37 3l72 h VAL 44 Ca 0.18 -1.03 -0.12 0.00 0.82 0.00 0.00 66.70 66.55 3l72 h VAL 44 Cb 0.40 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3l72 h VAL 44 CO 0.01 0.37 -0.22 0.28 0.02 0.00 0.00 177.57 178.02 3l72 h SER 45 N 0.80 0.88 -0.88 0.57 0.02 0.22 -3.20 113.55 111.95 3l72 h SER 45 Ca 0.15 -0.42 -0.46 0.00 -0.84 0.00 0.00 61.79 60.23 3l72 h SER 45 Cb 0.46 -0.24 -0.15 0.00 0.14 0.00 0.00 62.40 62.61 3l72 h SER 45 CO 0.02 1.11 0.40 -1.54 -1.14 0.00 0.00 176.83 175.68 3l72 n SER 46 N -4.21 6.37 -3.67 3.07 3.41 -0.55 -4.81 113.62 113.23 3l72 n SER 46 Ca -0.02 -3.07 -0.13 0.00 -0.26 0.00 0.00 58.87 55.39 3l72 n SER 46 Cb 0.45 -1.27 -0.08 0.00 -0.26 0.00 0.00 64.21 63.04 3l72 n SER 46 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3l72 s ARG 47 N -1.19 0.68 0.00 4.33 0.52 -1.21 -4.94 118.95 117.13 3l72 s ARG 47 Ca 0.60 0.85 0.21 0.00 -0.52 0.00 0.00 55.73 56.87 3l72 s ARG 47 Cb 0.36 0.30 0.10 0.00 0.52 0.00 0.00 34.95 36.23 3l72 s ARG 47 CO -0.18 -0.09 1.11 0.43 0.02 0.00 0.00 175.30 176.59 3l72 n SER 48 N 2.95 2.42 0.00 0.23 7.64 -1.26 -4.58 113.62 121.02 3l72 n SER 48 Ca -0.15 -1.71 0.00 0.00 1.01 0.00 0.00 58.87 58.02 3l72 n SER 48 Cb 0.56 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 3l72 n SER 48 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 3l72 n HIS 49 N 0.69 0.00 -1.81 1.43 -0.00 -1.26 -5.07 115.22 109.20 3l72 n HIS 49 Ca 0.11 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.41 3l72 n HIS 49 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.45 3l72 n HIS 49 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 3l72 s THR 50 N -0.48 2.53 -0.86 3.57 -1.32 -1.26 -4.85 115.64 112.97 3l72 s THR 50 Ca 0.00 0.22 0.27 0.00 -1.21 0.00 0.00 61.69 60.96 3l72 s THR 50 Cb 0.00 -3.14 0.17 0.00 -1.51 0.00 0.00 72.50 68.02 3l72 s THR 50 CO 0.00 0.01 1.68 -0.62 -2.21 0.00 0.00 174.62 173.47 3l72 n GLU 51 N 4.85 0.13 -0.75 7.08 -0.58 -1.26 -4.90 120.64 125.21 3l72 n GLU 51 Ca 0.16 0.08 -0.32 0.00 -0.42 0.00 0.00 57.16 56.65 3l72 n GLU 51 Cb 0.38 -1.62 0.14 0.00 -0.57 0.00 0.00 31.44 29.77 3l72 n GLU 51 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3l72 n GLU 52 N -1.83 -0.36 -3.76 3.49 2.13 -1.26 -5.06 120.64 114.00 3l72 n GLU 52 Ca 0.06 -0.05 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 3l72 n GLU 52 Cb 0.38 -2.07 -0.09 0.00 0.27 0.00 0.00 31.44 29.94 3l72 n GLU 52 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3l72 s GLN 53 N -4.04 0.66 -0.31 5.31 -0.21 -1.26 -5.04 119.66 114.77 3l72 s GLN 53 Ca 0.61 -0.18 0.07 0.00 0.02 0.00 0.00 55.36 55.89 3l72 s GLN 53 Cb -0.22 0.29 0.66 0.00 1.00 0.00 0.00 33.01 34.74 3l72 s GLN 53 CO 0.64 -0.18 1.72 0.00 -2.12 0.00 0.00 175.29 175.35 3l72 h THR 55 N 2.08 0.00 -0.93 0.00 2.02 -1.99 -0.88 112.91 113.22 3l72 h THR 55 Ca 0.31 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.64 3l72 h THR 55 Cb 2.29 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 68.54 3l72 h THR 55 CO 0.74 0.00 -0.38 -0.08 0.37 0.00 0.00 175.52 176.17 3l72 h GLU 56 N -1.01 -0.03 -0.44 6.66 4.81 -2.00 0.41 114.58 122.98 3l72 h GLU 56 Ca -0.08 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 3l72 h GLU 56 Cb 0.83 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 3l72 h GLU 56 CO 0.03 -0.02 0.06 0.93 -0.73 0.00 0.00 179.01 179.28 3l72 h GLU 57 N -0.03 0.68 -0.16 1.92 3.07 -1.85 -2.21 114.58 115.99 3l72 h GLU 57 Ca 0.33 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3l72 h GLU 57 Cb 0.59 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 3l72 h GLU 57 CO -0.94 0.66 0.09 1.25 -1.40 0.00 0.00 179.01 178.67 3l72 h LEU 58 N 0.65 0.20 -0.17 1.33 5.85 0.12 -2.77 115.31 120.52 3l72 h LEU 58 Ca 0.14 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3l72 h LEU 58 Cb 0.32 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3l72 h LEU 58 CO 0.01 0.22 -0.01 -0.26 -0.34 0.00 0.00 178.44 178.05 3l72 h PHE 59 N 0.17 -0.03 -0.79 1.25 0.04 -0.56 -0.60 116.94 116.40 3l72 h PHE 59 Ca 0.06 0.01 0.19 0.00 2.80 0.00 0.00 57.97 61.03 3l72 h PHE 59 Cb 0.06 0.04 -0.13 0.00 2.20 0.00 0.00 35.95 38.12 3l72 h PHE 59 CO -0.04 -0.04 0.11 -0.44 -0.60 0.00 0.00 178.31 177.30 3l72 h ASP 60 N 0.04 -0.17 0.78 2.17 3.32 -1.26 0.57 116.42 121.87 3l72 h ASP 60 Ca 0.08 0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 3l72 h ASP 60 Cb 0.11 0.29 0.01 0.00 0.22 0.00 0.00 39.33 39.96 3l72 h ASP 60 CO -0.15 -0.15 -0.38 0.15 -1.72 0.00 0.00 179.24 177.00 3l72 h PHE 61 N 0.17 -0.97 -0.96 4.55 3.57 -1.11 -2.25 116.94 119.94 3l72 h PHE 61 Ca 0.46 -0.02 0.20 0.00 3.53 0.00 0.00 57.97 62.14 3l72 h PHE 61 Cb 0.85 0.32 -0.08 0.00 2.79 0.00 0.00 35.95 39.83 3l72 h PHE 61 CO -0.34 -0.61 0.61 -0.07 -2.23 0.00 0.00 178.31 175.67 3l72 h LEU 62 N -1.22 0.57 0.06 0.59 3.38 -0.45 0.37 115.31 118.61 3l72 h LEU 62 Ca -0.11 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3l72 h LEU 62 Cb 0.80 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3l72 h LEU 62 CO 0.18 0.21 -0.03 -0.74 0.09 0.00 0.00 178.44 178.15 3l72 h HIS 63 N 0.56 -0.08 -0.05 1.13 2.76 0.21 0.16 115.15 119.84 3l72 h HIS 63 Ca 0.52 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.68 3l72 h HIS 63 Cb 1.08 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 30.06 3l72 h HIS 63 CO -0.00 0.08 0.00 0.00 -1.30 0.00 0.00 177.93 176.71 3l72 h ALA 64 N 0.71 0.07 0.85 5.26 0.00 -0.49 0.19 119.26 125.86 3l72 h ALA 64 Ca -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3l72 h ALA 64 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3l72 h ALA 64 CO 0.01 -0.26 -0.47 -0.09 0.00 0.00 0.00 179.25 178.45 3l72 h ARG 65 N -0.19 -1.17 -0.78 0.00 2.43 -0.32 -1.86 114.38 112.48 3l72 h ARG 65 Ca 0.02 0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3l72 h ARG 65 Cb 0.32 0.27 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 3l72 h ARG 65 CO 0.00 -0.78 0.52 -0.44 -1.51 0.00 0.00 179.97 177.76 3l72 h ASP 66 N -1.22 0.88 -0.45 -3.80 3.45 -0.74 -0.04 116.42 114.49 3l72 h ASP 66 Ca -0.12 -0.02 0.02 0.00 0.43 0.00 0.00 57.03 57.34 3l72 h ASP 66 Cb 0.96 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.49 3l72 h ASP 66 CO 0.15 0.62 0.28 -0.74 -1.57 0.00 0.00 179.24 177.99 3l72 h HIS 67 N 1.03 0.52 0.05 4.55 2.76 -0.53 -2.33 115.15 121.21 3l72 h HIS 67 Ca 0.29 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.48 3l72 h HIS 67 Cb -0.07 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 28.72 3l72 h HIS 67 CO -0.00 0.31 -0.03 0.00 -1.30 0.00 0.00 177.93 176.92 3l72 h VAL 69 N -0.09 0.64 0.39 0.00 2.07 -0.71 -2.32 116.25 116.24 3l72 h VAL 69 Ca -0.01 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3l72 h VAL 69 Cb 0.08 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3l72 h VAL 69 CO 0.01 0.07 -0.29 0.00 0.02 0.00 0.00 177.57 177.38 3l72 h ALA 70 N 1.60 -0.67 -0.39 1.67 0.00 -1.16 0.37 119.26 120.68 3l72 h ALA 70 Ca 0.49 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.39 3l72 h ALA 70 Cb 1.27 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 3l72 h ALA 70 CO -0.18 -0.90 0.60 0.45 0.00 0.00 0.00 179.25 179.22 3l72 h HIS 71 N -0.67 0.00 0.00 0.00 3.86 -1.47 -3.32 115.15 113.54 3l72 h HIS 71 Ca -0.04 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 3l72 h HIS 71 Cb 0.58 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.05 3l72 h HIS 71 CO -0.13 0.00 -0.30 1.63 0.86 0.00 0.00 177.93 179.99 3l72 n LYS 72 N -3.33 0.10 -0.07 2.45 5.02 -0.95 -4.83 118.16 116.54 3l72 n LYS 72 Ca 0.07 0.04 0.04 0.00 -2.02 0.00 0.00 58.31 56.44 3l72 n LYS 72 Cb 0.76 -0.67 0.08 0.00 -0.02 0.00 0.00 35.03 35.18 3l72 n LYS 72 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3l72 n LEU 73 N -3.62 -0.00 0.18 -0.35 7.94 0.13 0.07 117.00 121.34 3l72 n LEU 73 Ca -0.03 0.35 0.14 0.00 -1.11 0.00 0.00 56.01 55.35 3l72 n LEU 73 Cb 0.14 -0.14 0.55 0.00 0.53 0.00 0.00 43.42 44.51 3l72 n LEU 73 CO 0.03 -0.36 0.90 -0.26 -1.11 0.00 0.00 177.39 176.60 3l72 h PHE 74 N 0.00 0.00 -0.13 1.96 0.05 -1.80 -2.95 116.94 114.06 3l72 h PHE 74 Ca 0.14 0.00 -0.15 0.00 3.82 0.00 0.00 57.97 61.77 3l72 h PHE 74 Cb 0.31 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.25 3l72 h PHE 74 CO -0.08 0.00 -0.57 -0.91 -0.18 0.00 0.00 178.31 176.57 3l72 h ASN 75 N 0.00 0.47 0.86 2.17 2.35 -0.70 -2.97 115.58 117.75 3l72 h ASN 75 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 3l72 h ASN 75 Cb 0.43 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3l72 h ASN 75 CO 0.00 0.94 -0.17 0.29 -1.65 0.00 0.00 177.43 176.84 3l72 n LYS 76 N -3.93 0.02 -3.61 0.81 5.02 -1.12 -4.86 118.16 110.49 3l72 n LYS 76 Ca -0.03 0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 56.01 3l72 n LYS 76 Cb 0.61 -1.52 -0.03 0.00 -0.02 0.00 0.00 35.03 34.07 3l72 n LYS 76 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3l72 s LEU 77 N -3.09 4.17 0.00 -0.35 1.43 -1.12 -4.99 118.68 114.73 3l72 s LEU 77 Ca 0.13 0.43 0.27 0.00 -1.03 0.00 0.00 54.13 53.93 3l72 s LEU 77 Cb 0.18 -3.23 0.88 0.00 0.03 0.00 0.00 46.19 44.05 3l72 s LEU 77 CO 0.59 -0.11 1.65 0.29 0.23 0.00 0.00 176.35 179.00