#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1l n GLU 10 N 0.00 0.00 0.00 0.00 -0.00 -1.26 -5.18 120.64 114.20 3h1l n GLU 10 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 3h1l n GLU 10 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 3h1l n GLU 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h1l n GLU 11 N 0.00 0.25 0.00 3.44 4.71 -1.26 -5.18 120.64 122.59 3h1l n GLU 11 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3h1l n GLU 11 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 3h1l n GLU 11 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 3h1l n GLU 12 N 0.00 0.00 -2.51 3.49 2.13 -1.26 -5.11 120.64 117.38 3h1l n GLU 12 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 3h1l n GLU 12 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 3h1l n GLU 12 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3h1l s LEU 13 N 0.00 3.21 -0.06 4.31 2.96 -1.26 -4.99 118.68 122.85 3h1l s LEU 13 Ca 0.00 -0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 53.60 3h1l s LEU 13 Cb 0.00 -2.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 3h1l s LEU 13 CO 0.00 -1.84 -0.02 -0.69 -1.32 0.00 0.00 176.35 172.48 3h1l s VAL 14 N 5.93 4.11 -0.58 1.68 1.01 -1.26 -5.07 120.40 126.22 3h1l s VAL 14 Ca 0.39 -0.41 -0.24 0.00 0.00 0.00 0.00 61.98 61.72 3h1l s VAL 14 Cb -0.08 -2.75 0.05 0.00 0.00 0.00 0.00 36.38 33.60 3h1l s VAL 14 CO 0.17 0.54 0.95 -0.62 0.00 0.00 0.00 175.10 176.14 3h1l s ASP 15 N -1.06 6.30 0.62 3.32 3.68 -1.26 -4.89 116.67 123.38 3h1l s ASP 15 Ca 0.15 -0.48 0.20 0.00 2.13 0.00 0.00 52.55 54.55 3h1l s ASP 15 Cb -0.11 -2.43 0.81 0.00 -1.45 0.00 0.00 42.92 39.73 3h1l s ASP 15 CO 0.04 -1.28 1.34 1.55 0.13 0.00 0.00 175.17 176.96 3h1l h PRO 16 N 9.37 0.00 -0.10 4.34 0.13 -1.97 0.46 132.00 144.24 3h1l h PRO 16 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 3h1l h PRO 16 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3h1l h PRO 16 CO 1.11 0.00 0.00 1.25 -0.23 0.00 0.00 178.00 180.13 3h1l h LEU 17 N 0.00 0.17 -0.78 1.56 5.85 -1.92 -2.12 115.31 118.07 3h1l h LEU 17 Ca 0.30 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3h1l h LEU 17 Cb 2.32 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 43.27 3h1l h LEU 17 CO -0.00 0.43 0.38 0.71 -0.34 0.00 0.00 178.44 179.62 3h1l h THR 18 N -0.10 1.25 0.59 1.05 1.35 -0.47 -0.95 112.91 115.62 3h1l h THR 18 Ca 0.03 -0.68 -0.02 0.00 -0.55 0.00 0.00 66.41 65.19 3h1l h THR 18 Cb 0.34 0.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.01 3h1l h THR 18 CO 0.00 0.29 -0.39 0.74 -0.25 0.00 0.00 175.52 175.92 3h1l h THR 19 N 1.10 0.21 0.00 6.82 2.02 -1.49 -2.29 112.91 119.28 3h1l h THR 19 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.45 3h1l h THR 19 Cb 0.11 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3h1l h THR 19 CO -0.04 0.00 0.00 0.40 0.37 0.00 0.00 175.52 176.25 3h1l h ILE 20 N -0.93 0.00 0.01 3.11 2.04 -1.21 0.07 117.51 120.59 3h1l h ILE 20 Ca -0.07 -0.16 -0.19 0.00 1.00 0.00 0.00 64.86 65.44 3h1l h ILE 20 Cb 0.77 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 3h1l h ILE 20 CO 0.06 0.00 -0.87 0.03 0.00 0.00 0.00 178.15 177.37 3h1l h ARG 21 N 0.00 0.08 0.28 2.37 3.08 -0.75 -2.43 114.38 117.01 3h1l h ARG 21 Ca 0.00 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3h1l h ARG 21 Cb 0.17 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3h1l h ARG 21 CO 0.00 0.89 -0.13 0.93 -1.07 0.00 0.00 179.97 180.59 3h1l h GLU 22 N 0.04 -0.36 -0.74 0.04 5.08 -0.45 -1.19 114.58 117.00 3h1l h GLU 22 Ca -0.03 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3h1l h GLU 22 Cb 1.51 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.81 3h1l h GLU 22 CO 0.12 -0.06 0.49 1.25 -1.00 0.00 0.00 179.01 179.81 3h1l h HIS 23 N -0.68 0.92 -0.22 4.33 2.76 -1.52 -2.71 115.15 118.03 3h1l h HIS 23 Ca -0.04 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.05 3h1l h HIS 23 Cb 0.47 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 3h1l h HIS 23 CO 0.02 0.57 -0.33 0.00 -1.30 0.00 0.00 177.93 176.89 3h1l n GLU 25 N -4.07 0.21 0.00 0.00 1.02 -0.45 -0.24 120.64 117.10 3h1l n GLU 25 Ca -0.01 0.09 0.10 0.00 -0.02 0.00 0.00 57.16 57.32 3h1l n GLU 25 Cb 0.45 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.28 3h1l n GLU 25 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3h1l n GLN 26 N -1.13 0.39 -1.42 3.49 -0.06 -0.85 -4.10 117.38 113.71 3h1l n GLN 26 Ca 0.05 -0.19 -0.36 0.00 -2.00 0.00 0.00 57.00 54.51 3h1l n GLN 26 Cb 0.05 -1.47 0.09 0.00 -4.06 0.00 0.00 30.24 24.85 3h1l n GLN 26 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 3h1l n THR 27 N -1.21 3.25 -0.10 1.69 -1.04 0.67 -4.77 114.28 112.77 3h1l n THR 27 Ca 0.05 -0.38 -0.12 0.00 -2.04 0.00 0.00 64.05 61.56 3h1l n THR 27 Cb 0.35 -1.21 -0.07 0.00 -1.82 0.00 0.00 70.33 67.58 3h1l n THR 27 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3h1l h GLU 28 N -0.14 -0.38 -0.77 -2.82 4.57 -1.94 -1.62 114.58 111.49 3h1l h GLU 28 Ca -0.48 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 57.69 3h1l h GLU 28 Cb 1.33 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.97 3h1l h GLU 28 CO 0.48 -0.25 0.35 0.87 -1.18 0.00 0.00 179.01 179.28 3h1l h LYS 29 N -0.39 1.12 -0.51 1.92 1.57 -1.93 -2.35 116.57 115.99 3h1l h LYS 29 Ca 0.10 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 3h1l h LYS 29 Cb 0.61 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3h1l h LYS 29 CO -0.55 0.88 0.05 0.00 -0.57 0.00 0.00 179.45 179.26 3h1l h VAL 31 N 0.73 1.20 0.00 0.00 2.07 -1.23 1.22 116.25 120.25 3h1l h VAL 31 Ca 0.15 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3h1l h VAL 31 Cb 0.45 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3h1l h VAL 31 CO 0.02 0.20 0.00 0.11 0.02 0.00 0.00 177.57 177.91 3h1l h LYS 32 N 0.10 0.00 0.04 1.57 1.79 -1.33 -0.74 116.57 118.00 3h1l h LYS 32 Ca 0.06 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.14 3h1l h LYS 32 Cb 0.26 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.86 3h1l h LYS 32 CO 0.00 0.00 -2.32 0.00 -1.08 0.00 0.00 179.45 176.05 3h1l n ALA 33 N -1.87 1.26 0.17 3.86 0.00 -0.45 -3.62 120.51 119.86 3h1l n ALA 33 Ca 0.01 -0.94 0.06 0.00 0.00 0.00 0.00 53.44 52.57 3h1l n ALA 33 Cb 0.22 -0.28 0.54 0.00 0.00 0.00 0.00 19.45 19.94 3h1l n ALA 33 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3h1l h ARG 34 N -0.01 0.17 0.01 0.00 9.65 0.17 -1.94 114.38 122.43 3h1l h ARG 34 Ca -0.53 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.33 3h1l h ARG 34 Cb 1.93 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 30.48 3h1l h ARG 34 CO -0.04 0.15 -0.00 1.49 2.80 0.00 0.00 179.97 184.37 3h1l h GLU 35 N 0.17 -0.01 -0.29 0.20 4.81 -1.28 -2.08 114.58 116.11 3h1l h GLU 35 Ca 0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3h1l h GLU 35 Cb 0.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3h1l h GLU 35 CO -0.00 0.40 0.16 0.00 -0.73 0.00 0.00 179.01 178.84 3h1l h ARG 36 N -0.42 0.39 -0.08 1.92 3.08 -1.50 -2.46 114.38 115.31 3h1l h ARG 36 Ca -0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3h1l h ARG 36 Cb 0.42 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 3h1l h ARG 36 CO 0.00 0.29 -0.05 1.25 -1.07 0.00 0.00 179.97 180.39 3h1l h LEU 37 N 0.40 0.18 -1.31 3.04 5.85 -1.28 -2.73 115.31 119.45 3h1l h LEU 37 Ca 0.10 -0.44 0.13 0.00 0.84 0.00 0.00 57.88 58.51 3h1l h LEU 37 Cb 0.01 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 3h1l h LEU 37 CO -0.02 0.58 0.56 -0.33 -0.34 0.00 0.00 178.44 178.90 3h1l h GLU 38 N -0.23 0.67 -0.24 1.25 4.39 -1.00 -1.30 114.58 118.13 3h1l h GLU 38 Ca 0.02 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3h1l h GLU 38 Cb 0.52 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 3h1l h GLU 38 CO 0.01 0.44 0.05 -0.07 -1.16 0.00 0.00 179.01 178.29 3h1l h LEU 39 N 0.69 0.37 0.42 1.33 3.38 -1.32 -2.56 115.31 117.61 3h1l h LEU 39 Ca 0.43 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3h1l h LEU 39 Cb 0.67 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3h1l h LEU 39 CO -0.19 0.51 -0.20 0.00 0.09 0.00 0.00 178.44 178.65 3h1l h ASP 41 N -0.71 0.13 -0.25 0.00 3.58 -1.30 0.16 116.42 118.03 3h1l h ASP 41 Ca -0.06 0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 3h1l h ASP 41 Cb 0.51 0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 3h1l h ASP 41 CO 0.10 -0.14 0.13 0.00 -2.88 0.00 0.00 179.24 176.45 3h1l h ALA 42 N 1.79 0.32 -0.01 -0.78 0.00 -1.23 -0.58 119.26 118.77 3h1l h ALA 42 Ca 0.59 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 55.20 3h1l h ALA 42 Cb 1.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3h1l h ALA 42 CO -0.64 -0.14 -0.93 0.07 0.00 0.00 0.00 179.25 177.61 3h1l h ARG 43 N 0.29 0.45 -0.42 0.00 0.11 -0.42 -1.80 114.38 112.59 3h1l h ARG 43 Ca 0.09 -0.47 -0.14 0.00 0.10 0.00 0.00 59.98 59.56 3h1l h ARG 43 Cb 0.08 0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.28 3h1l h ARG 43 CO -0.01 1.12 -0.28 0.28 0.10 0.00 0.00 179.97 181.18 3h1l h VAL 44 N 0.26 1.27 0.06 0.08 2.07 -0.83 -0.65 116.25 118.50 3h1l h VAL 44 Ca -0.08 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.00 3h1l h VAL 44 Cb 1.57 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 3h1l h VAL 44 CO 0.16 0.49 -0.03 0.28 0.02 0.00 0.00 177.57 178.49 3h1l h SER 45 N 0.77 -0.06 -0.17 0.57 0.02 -1.10 -3.16 113.55 110.41 3h1l h SER 45 Ca 0.09 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3h1l h SER 45 Cb 0.84 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 3h1l h SER 45 CO 0.07 0.09 0.05 0.77 -1.14 0.00 0.00 176.83 176.67 3h1l h SER 46 N -0.21 0.25 -3.54 3.07 4.64 -1.28 -3.42 113.55 113.05 3h1l h SER 46 Ca -0.01 -0.20 -0.53 0.00 -0.47 0.00 0.00 61.79 60.58 3h1l h SER 46 Cb 0.19 -0.06 0.06 0.00 -0.31 0.00 0.00 62.40 62.28 3h1l h SER 46 CO 0.01 0.39 0.74 -0.13 -0.87 0.00 0.00 176.83 176.96 3h1l s ARG 47 N -5.39 4.27 -0.32 4.77 0.52 -0.26 -4.92 118.95 117.63 3h1l s ARG 47 Ca -0.14 2.31 0.08 0.00 -0.52 0.00 0.00 55.73 57.47 3h1l s ARG 47 Cb 0.07 -3.09 0.55 0.00 0.52 0.00 0.00 34.95 33.00 3h1l s ARG 47 CO 0.71 -0.38 1.56 -1.13 0.02 0.00 0.00 175.30 176.07 3h1l n SER 48 N 1.82 2.87 -1.93 0.23 3.41 -1.26 -4.58 113.62 114.18 3h1l n SER 48 Ca 0.05 -3.68 -0.02 0.00 -0.26 0.00 0.00 58.87 54.96 3h1l n SER 48 Cb 0.40 -0.67 0.05 0.00 -0.26 0.00 0.00 64.21 63.74 3h1l n SER 48 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3h1l n HIS 49 N -1.06 -0.97 -4.82 7.33 -0.00 -1.26 -5.14 115.22 109.30 3h1l n HIS 49 Ca 0.38 -0.85 -0.33 0.00 -0.00 0.00 0.00 57.72 56.92 3h1l n HIS 49 Cb 1.16 1.00 -0.13 0.00 -0.00 0.00 0.00 29.99 32.02 3h1l n HIS 49 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 3h1l s THR 50 N 0.06 3.20 -0.90 3.57 -1.32 -1.26 -5.00 115.64 113.99 3h1l s THR 50 Ca 0.04 -0.66 0.26 0.00 -1.21 0.00 0.00 61.69 60.12 3h1l s THR 50 Cb 0.21 -2.28 0.13 0.00 -1.51 0.00 0.00 72.50 69.05 3h1l s THR 50 CO -0.06 0.58 1.61 -0.62 -2.21 0.00 0.00 174.62 173.92 3h1l n GLU 51 N 2.46 0.09 -1.45 7.08 -0.58 -1.26 -4.92 120.64 122.06 3h1l n GLU 51 Ca -0.17 0.04 -0.36 0.00 -0.42 0.00 0.00 57.16 56.25 3h1l n GLU 51 Cb 0.52 -1.57 0.08 0.00 -0.57 0.00 0.00 31.44 29.90 3h1l n GLU 51 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3h1l n GLU 52 N -1.71 0.64 -3.91 3.49 2.13 -1.26 -5.04 120.64 114.98 3h1l n GLU 52 Ca 0.06 0.27 -0.09 0.00 0.66 0.00 0.00 57.16 58.06 3h1l n GLU 52 Cb 0.37 -2.25 -0.09 0.00 0.27 0.00 0.00 31.44 29.75 3h1l n GLU 52 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3h1l s GLN 53 N -3.23 0.68 -0.46 5.31 -0.21 -1.26 -4.98 119.66 115.51 3h1l s GLN 53 Ca 0.75 -0.83 0.04 0.00 0.02 0.00 0.00 55.36 55.34 3h1l s GLN 53 Cb -0.36 0.27 0.55 0.00 1.00 0.00 0.00 33.01 34.47 3h1l s GLN 53 CO 0.48 -0.19 1.78 0.00 -2.12 0.00 0.00 175.29 175.25 3h1l h THR 55 N 1.10 0.00 -0.95 0.00 2.02 -1.99 -1.53 112.91 111.56 3h1l h THR 55 Ca 0.51 -0.13 0.13 0.00 0.77 0.00 0.00 66.41 67.69 3h1l h THR 55 Cb 1.92 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 68.18 3h1l h THR 55 CO 1.04 0.00 -0.43 1.21 0.37 0.00 0.00 175.52 177.71 3h1l n GLU 56 N -5.02 -0.28 -0.18 6.66 2.13 -1.26 -0.33 120.64 122.36 3h1l n GLU 56 Ca -0.12 1.46 -0.07 0.00 0.66 0.00 0.00 57.16 59.08 3h1l n GLU 56 Cb 0.39 -2.16 0.02 0.00 0.27 0.00 0.00 31.44 29.96 3h1l n GLU 56 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3h1l h GLU 57 N 0.00 0.71 -0.44 5.31 3.07 -1.89 -1.57 114.58 119.77 3h1l h GLU 57 Ca 0.28 -0.08 0.07 0.00 -0.50 0.00 0.00 59.36 59.13 3h1l h GLU 57 Cb 0.52 -0.14 -0.06 0.00 -0.84 0.00 0.00 28.75 28.22 3h1l h GLU 57 CO -0.93 0.55 0.06 1.25 -1.40 0.00 0.00 179.01 178.55 3h1l h LEU 58 N 0.68 -0.04 0.16 1.33 5.85 0.41 -1.70 115.31 121.99 3h1l h LEU 58 Ca 0.18 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3h1l h LEU 58 Cb 0.05 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3h1l h LEU 58 CO -0.03 0.01 -0.13 -0.26 -0.34 0.00 0.00 178.44 177.69 3h1l h PHE 59 N 0.19 -0.33 -0.82 1.25 0.04 -0.48 0.08 116.94 116.86 3h1l h PHE 59 Ca 0.22 -0.00 0.20 0.00 2.80 0.00 0.00 57.97 61.19 3h1l h PHE 59 Cb 0.28 0.13 -0.13 0.00 2.20 0.00 0.00 35.95 38.43 3h1l h PHE 59 CO -0.23 -0.20 0.17 -0.44 -0.60 0.00 0.00 178.31 177.01 3h1l h ASP 60 N -0.30 -0.07 0.67 2.17 3.32 -0.75 1.38 116.42 122.84 3h1l h ASP 60 Ca -0.00 0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 3h1l h ASP 60 Cb 0.27 0.27 0.01 0.00 0.22 0.00 0.00 39.33 40.10 3h1l h ASP 60 CO -0.01 -0.13 -0.32 0.15 -1.72 0.00 0.00 179.24 177.21 3h1l h PHE 61 N 0.20 -0.84 -0.70 4.55 3.57 -0.85 -1.92 116.94 120.96 3h1l h PHE 61 Ca 0.49 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 62.09 3h1l h PHE 61 Cb 0.92 0.28 -0.09 0.00 2.79 0.00 0.00 35.95 39.84 3h1l h PHE 61 CO -0.30 -0.52 0.25 -0.07 -2.23 0.00 0.00 178.31 175.44 3h1l h LEU 62 N -1.01 0.21 -0.53 0.59 3.38 -0.03 0.78 115.31 118.70 3h1l h LEU 62 Ca -0.09 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3h1l h LEU 62 Cb 0.69 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 3h1l h LEU 62 CO 0.15 0.09 0.20 -0.74 0.09 0.00 0.00 178.44 178.23 3h1l h HIS 63 N 0.40 0.34 0.02 1.13 2.76 0.19 0.28 115.15 120.27 3h1l h HIS 63 Ca 0.38 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.57 3h1l h HIS 63 Cb 0.56 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.44 3h1l h HIS 63 CO -0.18 0.11 -0.01 0.00 -1.30 0.00 0.00 177.93 176.54 3h1l h ALA 64 N 1.36 -0.02 0.02 5.26 0.00 -0.22 -1.70 119.26 123.95 3h1l h ALA 64 Ca 0.26 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h1l h ALA 64 Cb 0.29 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3h1l h ALA 64 CO -0.26 -0.25 -0.02 -0.09 0.00 0.00 0.00 179.25 178.63 3h1l h ARG 65 N -0.55 -0.04 -1.01 0.00 2.43 0.94 -2.41 114.38 113.74 3h1l h ARG 65 Ca -0.00 0.00 0.25 0.00 -0.81 0.00 0.00 59.98 59.42 3h1l h ARG 65 Cb 0.52 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.99 3h1l h ARG 65 CO 0.00 -0.03 0.65 -0.44 -1.51 0.00 0.00 179.97 178.65 3h1l h ASP 66 N -0.04 0.47 0.55 -3.80 3.45 -0.58 0.19 116.42 116.66 3h1l h ASP 66 Ca -0.00 0.08 -0.03 0.00 0.43 0.00 0.00 57.03 57.51 3h1l h ASP 66 Cb 0.04 -0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.81 3h1l h ASP 66 CO -0.00 0.12 -0.26 -0.74 -1.57 0.00 0.00 179.24 176.78 3h1l h HIS 67 N 0.43 -0.68 -0.48 4.55 2.76 -1.17 -1.62 115.15 118.95 3h1l h HIS 67 Ca 0.57 -0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.81 3h1l h HIS 67 Cb 1.38 0.23 -0.08 0.00 1.55 0.00 0.00 27.41 30.49 3h1l h HIS 67 CO -0.00 -0.42 -0.01 0.00 -1.30 0.00 0.00 177.93 176.20 3h1l h VAL 69 N 0.11 0.65 0.00 0.00 2.07 -0.75 -1.15 116.25 117.17 3h1l h VAL 69 Ca 0.24 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 3h1l h VAL 69 Cb 0.35 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3h1l h VAL 69 CO -0.40 0.05 -0.01 0.00 0.02 0.00 0.00 177.57 177.22 3h1l h ALA 70 N 1.47 1.16 0.00 1.67 0.00 -0.75 -0.98 119.26 121.83 3h1l h ALA 70 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3h1l h ALA 70 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3h1l h ALA 70 CO -0.40 0.02 0.00 1.25 0.00 0.00 0.00 179.25 180.12 3h1l h HIS 71 N 0.00 0.00 0.00 0.00 2.76 -1.16 -3.38 115.15 113.37 3h1l h HIS 71 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3h1l h HIS 71 Cb 0.08 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.04 3h1l h HIS 71 CO 0.00 0.00 0.00 0.36 -1.30 0.00 0.00 177.93 176.99 3h1l n LYS 72 N -2.49 4.24 -0.33 5.26 2.85 -0.99 -4.89 118.16 121.81 3h1l n LYS 72 Ca 0.02 0.00 0.22 0.00 -1.05 0.00 0.00 58.31 57.50 3h1l n LYS 72 Cb 0.26 -0.46 0.44 0.00 -0.65 0.00 0.00 35.03 34.62 3h1l n LYS 72 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 3h1l h LEU 73 N 0.00 0.35 -0.64 -5.58 5.85 -1.37 0.18 115.31 114.10 3h1l h LEU 73 Ca 0.00 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3h1l h LEU 73 Cb 0.00 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3h1l h LEU 73 CO 0.00 -0.18 0.00 -0.26 -0.34 0.00 0.00 178.44 177.66 3h1l h PHE 74 N 0.26 0.00 -0.18 1.25 0.04 -1.84 -2.93 116.94 113.54 3h1l h PHE 74 Ca 0.70 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 61.30 3h1l h PHE 74 Cb 1.58 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.73 3h1l h PHE 74 CO -0.08 0.00 -0.58 -0.91 -0.60 0.00 0.00 178.31 176.13 3h1l h ASN 75 N 0.00 0.64 0.97 2.17 2.35 -0.99 -3.15 115.58 117.57 3h1l h ASN 75 Ca 0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 3h1l h ASN 75 Cb 0.44 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3h1l h ASN 75 CO 0.00 1.08 -0.22 0.29 -1.65 0.00 0.00 177.43 176.93 3h1l n LYS 76 N -3.94 0.11 -2.56 0.81 5.02 -1.11 -4.89 118.16 111.59 3h1l n LYS 76 Ca -0.04 0.06 -0.23 0.00 -2.02 0.00 0.00 58.31 56.09 3h1l n LYS 76 Cb 0.63 -1.60 0.08 0.00 -0.02 0.00 0.00 35.03 34.12 3h1l n LYS 76 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h1l s LEU 77 N -3.55 3.06 0.00 -0.35 1.43 -1.19 -4.99 118.68 113.09 3h1l s LEU 77 Ca 0.11 -0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.12 3h1l s LEU 77 Cb 0.16 -2.42 0.04 0.00 0.03 0.00 0.00 46.19 44.00 3h1l s LEU 77 CO 0.62 -1.58 0.66 1.17 0.23 0.00 0.00 176.35 177.45