#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hjm s HIS -3 N 0.00 2.51 0.25 -1.40 4.02 -1.26 -5.07 115.29 114.34 2hjm s HIS -3 Ca 0.00 -0.29 0.08 0.00 1.02 0.00 0.00 55.06 55.87 2hjm s HIS -3 Cb 0.00 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.58 30.04 2hjm s HIS -3 CO 0.00 0.19 0.09 -1.01 1.02 0.00 0.00 174.74 175.02 2hjm s HIS -2 N -0.84 2.89 0.26 1.40 3.76 -1.26 -5.08 115.29 116.42 2hjm s HIS -2 Ca 0.13 -0.16 -0.01 0.00 -0.15 0.00 0.00 55.06 54.87 2hjm s HIS -2 Cb -0.10 -1.30 -0.02 0.00 1.11 0.00 0.00 32.58 32.26 2hjm s HIS -2 CO 0.03 0.57 0.28 -1.01 -0.85 0.00 0.00 174.74 173.76 2hjm s HIS -1 N -2.19 1.16 0.00 1.40 4.02 -1.26 -4.66 115.29 113.75 2hjm s HIS -1 Ca 0.32 -1.33 0.00 0.00 1.02 0.00 0.00 55.06 55.07 2hjm s HIS -1 Cb -0.07 -0.40 0.00 0.00 -1.02 0.00 0.00 32.58 31.09 2hjm s HIS -1 CO 0.22 -0.83 0.00 0.72 1.02 0.00 0.00 174.74 175.87 2hjm n HIS 0 N -0.42 0.00 0.00 1.40 -0.00 -1.26 -0.07 115.22 114.87 2hjm n HIS 0 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 2hjm n HIS 0 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.63 2hjm n HIS 0 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2hjm n ASP 2 N 0.00 0.00 -0.09 0.41 2.03 -1.26 -1.78 116.55 115.86 2hjm n ASP 2 Ca 0.00 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.41 2hjm n ASP 2 Cb 0.00 0.00 0.46 0.00 -0.72 0.00 0.00 41.12 40.86 2hjm n ASP 2 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2hjm h LEU 3 N 0.00 0.44 -0.57 -2.67 5.85 -0.75 0.18 115.31 117.80 2hjm h LEU 3 Ca 0.00 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 2hjm h LEU 3 Cb 0.00 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2hjm h LEU 3 CO 0.00 0.28 0.11 0.58 -0.34 0.00 0.00 178.44 179.07 2hjm h VAL 4 N 0.50 1.25 -0.14 1.05 2.07 -1.58 -2.46 116.25 116.94 2hjm h VAL 4 Ca 0.27 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 2hjm h VAL 4 Cb 0.40 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2hjm h VAL 4 CO -0.08 0.34 0.01 -0.08 0.02 0.00 0.00 177.57 177.79 2hjm h GLU 5 N 0.82 0.23 0.00 1.57 4.57 -1.12 -1.16 114.58 119.49 2hjm h GLU 5 Ca 0.17 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2hjm h GLU 5 Cb 0.39 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 2hjm h GLU 5 CO 0.01 0.44 0.00 1.63 -1.18 0.00 0.00 179.01 179.91 2hjm n LYS 6 N -4.80 0.05 -0.13 1.92 4.01 0.38 -0.90 118.16 118.69 2hjm n LYS 6 Ca -0.05 0.28 -0.23 0.00 -0.51 0.00 0.00 58.31 57.80 2hjm n LYS 6 Cb 0.19 -1.50 -0.11 0.00 -0.51 0.00 0.00 35.03 33.10 2hjm n LYS 6 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2hjm n VAL 7 N -1.33 1.47 0.05 -0.18 0.31 -0.88 -3.42 118.33 114.34 2hjm n VAL 7 Ca 0.02 -0.47 0.11 0.00 -0.01 0.00 0.00 64.34 63.99 2hjm n VAL 7 Cb 0.04 -1.63 0.57 0.00 -0.91 0.00 0.00 33.84 31.91 2hjm n VAL 7 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2hjm h LYS 8 N -0.47 0.23 0.08 5.55 3.64 -0.67 -1.87 116.57 123.06 2hjm h LYS 8 Ca -0.63 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.74 2hjm h LYS 8 Cb 1.74 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.51 2hjm h LYS 8 CO -0.25 0.15 -0.04 0.93 -2.27 0.00 0.00 179.45 177.97 2hjm h GLU 9 N 0.24 -0.10 -0.36 1.90 5.08 -1.17 -2.91 114.58 117.25 2hjm h GLU 9 Ca 0.17 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.64 2hjm h GLU 9 Cb 0.38 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2hjm h GLU 9 CO -0.03 0.22 0.28 1.25 -1.00 0.00 0.00 179.01 179.73 2hjm h LEU 10 N -0.44 0.00 0.10 1.33 5.85 -1.38 -1.74 115.31 119.04 2hjm h LEU 10 Ca -0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2hjm h LEU 10 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2hjm h LEU 10 CO 0.02 0.00 -0.05 0.00 -0.34 0.00 0.00 178.44 178.07 2hjm h LEU 12 N -0.18 0.24 -1.71 0.00 3.38 -1.32 0.35 115.31 116.06 2hjm h LEU 12 Ca -0.01 -0.11 0.23 0.00 0.09 0.00 0.00 57.88 58.08 2hjm h LEU 12 Cb 0.14 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 2hjm h LEU 12 CO 0.02 0.28 0.62 -0.08 0.09 0.00 0.00 178.44 179.37 2hjm h GLU 13 N 0.18 0.22 -0.01 1.13 4.81 -1.16 1.04 114.58 120.79 2hjm h GLU 13 Ca 0.06 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2hjm h GLU 13 Cb 0.10 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2hjm h GLU 13 CO -0.01 0.14 -0.11 1.28 -0.73 0.00 0.00 179.01 179.59 2hjm n LEU 14 N -4.42 0.66 -1.37 1.64 4.77 -0.03 -4.92 117.00 113.34 2hjm n LEU 14 Ca 0.19 -0.11 -0.06 0.00 -0.03 0.00 0.00 56.01 56.01 2hjm n LEU 14 Cb 0.82 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.80 2hjm n LEU 14 CO 0.34 0.12 0.06 1.21 -1.33 0.00 0.00 177.39 177.78 2hjm n GLU 15 N -0.75 -1.95 -2.71 3.23 4.07 0.36 -4.98 120.64 117.90 2hjm n GLU 15 Ca 0.16 0.21 -0.22 0.00 -0.06 0.00 0.00 57.16 57.25 2hjm n GLU 15 Cb 0.28 -3.36 -0.01 0.00 -0.06 0.00 0.00 31.44 28.30 2hjm n GLU 15 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2hjm n GLU 16 N -1.69 2.57 -0.23 5.31 -0.58 -0.03 -4.94 120.64 121.06 2hjm n GLU 16 Ca -0.02 -4.17 0.00 0.00 -0.42 0.00 0.00 57.16 52.56 2hjm n GLU 16 Cb 0.52 -1.95 0.08 0.00 -0.57 0.00 0.00 31.44 29.52 2hjm n GLU 16 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 2hjm h GLU 17 N 2.82 0.00 -0.86 3.49 -0.00 -1.88 0.86 114.58 119.01 2hjm h GLU 17 Ca 0.15 -0.00 0.14 0.00 -0.00 0.00 0.00 59.36 59.64 2hjm h GLU 17 Cb 0.89 -0.00 -0.09 0.00 -0.00 0.00 0.00 28.75 29.55 2hjm h GLU 17 CO 0.72 0.00 0.46 -2.95 -0.00 0.00 0.00 179.01 177.24 2hjm h ASN 18 N 0.00 0.58 0.11 3.06 7.08 -1.97 0.74 115.58 125.20 2hjm h ASN 18 Ca 0.33 0.08 0.01 0.00 -3.08 0.00 0.00 56.30 53.64 2hjm h ASN 18 Cb 0.50 -0.02 -0.02 0.00 -2.08 0.00 0.00 38.32 36.70 2hjm h ASN 18 CO -0.70 0.26 -0.19 0.25 -2.08 0.00 0.00 177.43 174.98 2hjm h LEU 19 N 0.67 -0.53 -0.61 6.14 5.85 -1.24 0.24 115.31 125.83 2hjm h LEU 19 Ca 0.46 0.06 0.08 0.00 0.84 0.00 0.00 57.88 59.32 2hjm h LEU 19 Cb 0.60 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.77 2hjm h LEU 19 CO -0.34 -0.27 0.27 0.00 -0.34 0.00 0.00 178.44 177.76 2hjm h ALA 20 N 0.44 0.81 -0.42 1.25 0.00 -0.80 0.11 119.26 120.66 2hjm h ALA 20 Ca 0.02 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2hjm h ALA 20 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 2hjm h ALA 20 CO -0.10 -0.13 0.03 1.57 0.00 0.00 0.00 179.25 180.62 2hjm h LYS 21 N 0.48 0.14 -0.18 0.00 5.09 0.11 -1.44 116.57 120.75 2hjm h LYS 21 Ca 0.30 -0.01 0.05 0.00 0.09 0.00 0.00 60.65 61.09 2hjm h LYS 21 Cb 0.32 -0.03 -0.06 0.00 0.10 0.00 0.00 32.23 32.56 2hjm h LYS 21 CO -0.26 0.09 -0.24 0.00 -2.09 0.00 0.00 179.45 176.95 2hjm h ALA 22 N 1.35 -0.17 -0.50 0.07 0.00 0.20 -0.81 119.26 119.39 2hjm h ALA 22 Ca 0.20 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.26 2hjm h ALA 22 Cb 0.28 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 2hjm h ALA 22 CO -0.32 -0.68 0.09 0.82 0.00 0.00 0.00 179.25 179.16 2hjm h ILE 23 N -0.27 0.70 -0.70 0.00 2.04 -0.56 0.49 117.51 119.22 2hjm h ILE 23 Ca 0.12 -0.08 0.13 0.00 1.00 0.00 0.00 64.86 66.04 2hjm h ILE 23 Cb 0.45 0.46 -0.09 0.00 -0.74 0.00 0.00 36.82 36.90 2hjm h ILE 23 CO -0.34 0.04 0.22 -0.33 0.00 0.00 0.00 178.15 177.74 2hjm h GLU 24 N 0.22 0.34 0.16 2.37 4.39 -0.38 0.47 114.58 122.15 2hjm h GLU 24 Ca 0.25 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 2hjm h GLU 24 Cb 0.35 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2hjm h GLU 24 CO -0.34 0.22 -0.07 0.07 -1.16 0.00 0.00 179.01 177.73 2hjm h ARG 25 N 0.35 -0.20 0.19 2.33 -0.00 0.69 -0.54 114.38 117.19 2hjm h ARG 25 Ca 0.38 0.01 0.01 0.00 -0.00 0.00 0.00 59.98 60.39 2hjm h ARG 25 Cb 0.59 0.05 -0.04 0.00 -0.00 0.00 0.00 29.97 30.56 2hjm h ARG 25 CO -0.42 -0.03 -0.41 0.35 -0.00 0.00 0.00 179.97 179.46 2hjm h PHE 26 N -0.34 -1.15 -0.78 4.08 3.04 0.19 0.12 116.94 122.09 2hjm h PHE 26 Ca -0.02 0.02 0.15 0.00 3.98 0.00 0.00 57.97 62.10 2hjm h PHE 26 Cb 0.27 0.48 -0.10 0.00 2.56 0.00 0.00 35.95 39.16 2hjm h PHE 26 CO -0.03 -0.52 0.33 0.82 -2.02 0.00 0.00 178.31 176.89 2hjm h ILE 27 N -0.69 0.66 -0.32 1.41 1.08 -0.15 0.47 117.51 119.97 2hjm h ILE 27 Ca 0.01 -0.16 -0.04 0.00 -0.39 0.00 0.00 64.86 64.28 2hjm h ILE 27 Cb 0.69 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 2hjm h ILE 27 CO -0.20 0.09 0.02 0.74 -0.69 0.00 0.00 178.15 178.11 2hjm h THR 28 N 0.47 1.18 0.00 -0.27 2.02 0.16 -2.50 112.91 113.97 2hjm h THR 28 Ca 0.43 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 2hjm h THR 28 Cb 0.66 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2hjm h THR 28 CO -0.41 0.24 -0.21 0.17 0.37 0.00 0.00 175.52 175.68 2hjm h LEU 29 N 0.46 0.00 -1.15 2.58 -0.00 0.12 -2.98 115.31 114.34 2hjm h LEU 29 Ca 0.10 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.91 2hjm h LEU 29 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 2hjm h LEU 29 CO 0.01 0.11 -0.20 0.00 -0.00 0.00 0.00 178.44 178.35 2hjm h THR 30 N 0.00 1.23 0.00 0.15 1.03 -0.60 -3.41 112.91 111.31 2hjm h THR 30 Ca -0.00 -1.08 0.00 0.00 -0.01 0.00 0.00 66.41 65.32 2hjm h THR 30 Cb 1.09 1.31 0.00 0.00 -1.07 0.00 0.00 68.15 69.47 2hjm h THR 30 CO 0.01 0.34 0.00 1.57 -0.01 0.00 0.00 175.52 177.43 2hjm n HIS 31 N -4.18 0.00 0.23 0.00 -0.00 -1.13 0.17 115.22 110.32 2hjm n HIS 31 Ca -0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.81 2hjm n HIS 31 Cb 0.35 0.00 0.65 0.00 -0.00 0.00 0.00 29.99 30.99 2hjm n HIS 31 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 2hjm h GLY 32 N 0.00 0.00 -0.76 1.57 0.00 -1.87 -3.27 103.07 98.73 2hjm h GLY 32 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.45 2hjm h GLY 32 CO 0.00 0.00 -0.29 1.39 0.00 0.00 0.00 176.54 177.64 2hjm n ILE 33 N -4.50 -0.40 -0.26 2.60 2.08 0.13 0.22 119.36 119.22 2hjm n ILE 33 Ca -0.01 1.79 0.05 0.00 0.56 0.00 0.00 62.75 65.14 2hjm n ILE 33 Cb 0.15 -2.37 0.19 0.00 -0.75 0.00 0.00 39.64 36.86 2hjm n ILE 33 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2hjm h GLU 34 N 0.00 0.40 0.60 0.38 3.07 -1.63 1.29 114.58 118.70 2hjm h GLU 34 Ca 0.27 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.08 2hjm h GLU 34 Cb 0.46 -0.09 0.01 0.00 -0.84 0.00 0.00 28.75 28.29 2hjm h GLU 34 CO -0.76 0.27 -0.29 1.57 -1.40 0.00 0.00 179.01 178.40 2hjm h LYS 35 N 0.42 -0.78 0.49 2.33 5.09 0.24 -1.18 116.57 123.17 2hjm h LYS 35 Ca 0.42 0.05 -0.01 0.00 0.09 0.00 0.00 60.65 61.20 2hjm h LYS 35 Cb 0.65 0.18 -0.02 0.00 0.10 0.00 0.00 32.23 33.14 2hjm h LYS 35 CO -0.42 -0.52 -0.39 1.79 -2.09 0.00 0.00 179.45 177.82 2hjm h THR 36 N -0.94 0.20 0.00 0.07 1.35 0.32 -3.36 112.91 110.55 2hjm h THR 36 Ca -0.08 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.77 2hjm h THR 36 Cb 0.62 0.20 -0.00 0.00 -1.73 0.00 0.00 68.15 67.24 2hjm h THR 36 CO 0.14 0.00 -1.92 0.54 -0.25 0.00 0.00 175.52 174.03 2hjm n ARG 37 N -5.51 0.66 0.00 4.72 5.12 0.44 -5.06 116.66 117.03 2hjm n ARG 37 Ca -0.11 -0.17 0.00 0.00 -1.93 0.00 0.00 57.85 55.64 2hjm n ARG 37 Cb 0.40 -1.55 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 2hjm n ARG 37 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hjm n GLY 38 N 1.26 0.99 0.11 -0.13 0.00 -0.44 -4.71 105.19 102.27 2hjm n GLY 38 Ca -0.04 -2.29 -0.17 0.00 0.00 0.00 0.00 46.02 43.52 2hjm n GLY 38 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2hjm h GLU 39 N 0.00 0.22 -0.44 1.61 4.81 -1.89 -2.97 114.58 115.92 2hjm h GLU 39 Ca 0.00 -0.37 -0.11 0.00 -0.13 0.00 0.00 59.36 58.75 2hjm h GLU 39 Cb 0.00 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 2hjm h GLU 39 CO 0.00 1.04 -0.17 0.00 -0.73 0.00 0.00 179.01 179.15 2hjm h ALA 40 N 0.48 0.87 0.43 2.92 0.00 -1.90 0.17 119.26 122.24 2hjm h ALA 40 Ca -0.29 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 2hjm h ALA 40 Cb 2.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2hjm h ALA 40 CO 0.13 0.63 -0.21 0.35 0.00 0.00 0.00 179.25 180.16 2hjm h PHE 41 N 0.74 -0.54 -0.99 0.00 3.04 -1.84 0.60 116.94 117.95 2hjm h PHE 41 Ca 0.11 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.16 2hjm h PHE 41 Cb 0.69 0.18 -0.08 0.00 2.56 0.00 0.00 35.95 39.30 2hjm h PHE 41 CO 0.04 -0.24 0.63 0.00 -2.02 0.00 0.00 178.31 176.72 2hjm h ALA 42 N -0.32 1.52 0.03 2.41 0.00 -1.39 0.81 119.26 122.32 2hjm h ALA 42 Ca -0.06 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2hjm h ALA 42 Cb 0.54 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2hjm h ALA 42 CO 0.10 0.26 -0.01 0.87 0.00 0.00 0.00 179.25 180.46 2hjm h LYS 43 N 1.02 -0.04 -0.66 0.00 1.57 -0.34 -2.00 116.57 116.12 2hjm h LYS 43 Ca 0.48 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.31 2hjm h LYS 43 Cb 0.43 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 2hjm h LYS 43 CO -0.24 0.45 0.44 0.00 -0.57 0.00 0.00 179.45 179.53 2hjm h ALA 44 N 0.41 1.72 0.24 3.86 0.00 0.55 0.14 119.26 126.18 2hjm h ALA 44 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2hjm h ALA 44 Cb 0.50 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2hjm h ALA 44 CO 0.01 0.19 -0.11 1.03 0.00 0.00 0.00 179.25 180.36 2hjm h SER 45 N 0.71 -0.27 -0.08 0.00 0.87 -0.79 -1.35 113.55 112.63 2hjm h SER 45 Ca 0.28 -0.13 -0.22 0.00 -1.23 0.00 0.00 61.79 60.49 2hjm h SER 45 Cb 0.20 0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2hjm h SER 45 CO -0.08 -0.03 -0.77 0.40 -0.53 0.00 0.00 176.83 175.81 2hjm h ILE 46 N -0.51 1.29 -0.34 2.23 2.04 -1.06 -2.85 117.51 118.32 2hjm h ILE 46 Ca -0.03 -2.00 -0.08 0.00 1.00 0.00 0.00 64.86 63.75 2hjm h ILE 46 Cb 0.38 2.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 2hjm h ILE 46 CO 0.05 0.63 -0.12 1.88 0.00 0.00 0.00 178.15 180.59 2hjm h TYR 47 N 0.50 0.64 -0.47 1.37 0.99 -0.78 -0.69 116.97 118.54 2hjm h TYR 47 Ca -0.05 -0.11 -0.05 0.00 2.00 0.00 0.00 58.73 60.52 2hjm h TYR 47 Cb 1.40 -0.17 -0.02 0.00 1.00 0.00 0.00 36.73 38.94 2hjm h TYR 47 CO 0.08 0.69 0.09 0.78 -0.00 0.00 0.00 178.16 179.80 2hjm h GLY 48 N 0.95 0.83 0.93 3.88 0.00 -1.26 0.31 103.07 108.73 2hjm h GLY 48 Ca 0.10 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 2hjm h GLY 48 CO 0.03 0.50 -0.11 -2.75 0.00 0.00 0.00 176.54 174.22 2hjm h PHE 49 N 0.64 -0.28 -0.96 5.60 3.04 -1.21 -0.47 116.94 123.31 2hjm h PHE 49 Ca 0.14 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.14 2hjm h PHE 49 Cb 0.37 0.10 -0.06 0.00 2.56 0.00 0.00 35.95 38.92 2hjm h PHE 49 CO 0.03 -0.17 0.62 -0.07 -2.02 0.00 0.00 178.31 176.70 2hjm h LEU 50 N -0.27 1.02 -1.22 0.59 3.38 -0.95 -0.45 115.31 117.41 2hjm h LEU 50 Ca -0.01 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2hjm h LEU 50 Cb 0.23 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2hjm h LEU 50 CO 0.01 0.68 -0.31 -0.08 0.09 0.00 0.00 178.44 178.83 2hjm h GLU 51 N 1.17 0.00 -0.06 1.13 4.81 -0.56 -0.46 114.58 120.62 2hjm h GLU 51 Ca 0.39 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.40 2hjm h GLU 51 Cb 0.07 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.45 2hjm h GLU 51 CO -0.13 0.31 -0.86 0.78 -0.73 0.00 0.00 179.01 178.38 2hjm h GLY 52 N 1.61 0.61 0.70 1.92 0.00 0.49 0.95 103.07 109.34 2hjm h GLY 52 Ca -0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 47.33 46.34 2hjm h GLY 52 CO 0.04 0.85 -0.33 -2.22 0.00 0.00 0.00 176.54 174.87 2hjm h ILE 53 N 0.34 0.00 -0.58 2.60 2.04 -1.02 -2.96 117.51 117.93 2hjm h ILE 53 Ca -0.07 -0.31 0.12 0.00 1.00 0.00 0.00 64.86 65.60 2hjm h ILE 53 Cb 1.49 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.47 2hjm h ILE 53 CO 0.16 0.00 0.05 -0.07 0.00 0.00 0.00 178.15 178.29 2hjm h LEU 54 N -1.24 -0.15 -1.31 1.44 3.38 -1.13 -1.35 115.31 114.95 2hjm h LEU 54 Ca -0.10 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.10 2hjm h LEU 54 Cb 0.72 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 2hjm h LEU 54 CO 0.16 -0.06 0.53 0.74 0.09 0.00 0.00 178.44 179.90 2hjm h THR 55 N 0.17 0.96 -0.04 0.22 2.02 -0.84 -1.56 112.91 113.83 2hjm h THR 55 Ca 0.30 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 67.16 2hjm h THR 55 Cb 0.47 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 2hjm h THR 55 CO -0.45 0.14 -0.18 0.71 0.37 0.00 0.00 175.52 176.11 2hjm h THR 56 N 0.77 1.47 -0.85 3.16 1.35 -1.10 -3.22 112.91 114.49 2hjm h THR 56 Ca 0.37 -1.65 0.12 0.00 -0.55 0.00 0.00 66.41 64.70 2hjm h THR 56 Cb 0.42 2.43 -0.08 0.00 -1.73 0.00 0.00 68.15 69.19 2hjm h THR 56 CO -0.15 0.46 0.47 -0.07 -0.25 0.00 0.00 175.52 175.98 2hjm h LEU 57 N -0.37 0.63 -5.04 3.87 3.38 -1.02 -3.25 115.31 113.50 2hjm h LEU 57 Ca -0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2hjm h LEU 57 Cb 0.84 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2hjm h LEU 57 CO 0.04 0.32 0.33 1.17 0.09 0.00 0.00 178.44 180.39 2hjm n LYS 58 N -4.79 0.00 0.00 1.13 4.81 -0.62 -2.91 118.16 115.78 2hjm n LYS 58 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 2hjm n LYS 58 Cb 0.36 -1.29 0.00 0.00 0.02 0.00 0.00 35.03 34.11 2hjm n LYS 58 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2hjm n LYS 60 N 2.55 0.00 -0.85 1.64 0.00 -1.23 -4.90 118.16 115.37 2hjm n LYS 60 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.95 2hjm n LYS 60 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 35.03 35.13 2hjm n LYS 60 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2hjm n TYR 61 N 0.00 -1.78 -2.78 5.58 4.02 -1.14 -4.97 117.16 116.08 2hjm n TYR 61 Ca 0.00 0.35 -0.16 0.00 -0.01 0.00 0.00 57.90 58.07 2hjm n TYR 61 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 39.34 37.83 2hjm n TYR 61 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2hjm n SER 62 N 1.04 2.22 -4.85 7.72 2.88 -1.26 -5.05 113.62 116.32 2hjm n SER 62 Ca -0.00 -3.07 -0.32 0.00 -1.33 0.00 0.00 58.87 54.14 2hjm n SER 62 Cb 0.66 -0.54 -0.05 0.00 -0.75 0.00 0.00 64.21 63.53 2hjm n SER 62 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2hjm s ASN 63 N -3.07 6.72 0.30 -3.46 0.02 -1.26 -4.96 114.94 109.23 2hjm s ASN 63 Ca 0.36 1.38 0.09 0.00 -1.02 0.00 0.00 52.86 53.68 2hjm s ASN 63 Cb 0.40 -2.42 0.45 0.00 0.02 0.00 0.00 41.25 39.71 2hjm s ASN 63 CO -0.05 -0.35 1.68 -0.08 0.02 0.00 0.00 177.10 178.31 2hjm h GLU 64 N 1.70 0.08 -0.04 -0.60 4.57 -2.02 -3.15 114.58 115.13 2hjm h GLU 64 Ca -0.48 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 57.69 2hjm h GLU 64 Cb 1.18 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.72 2hjm h GLU 64 CO 0.63 0.58 -0.26 0.87 -1.18 0.00 0.00 179.01 179.65 2hjm h LYS 65 N 0.07 -0.37 -0.36 1.92 6.56 -1.99 -2.49 116.57 119.91 2hjm h LYS 65 Ca -0.00 0.03 0.06 0.00 -1.06 0.00 0.00 60.65 59.67 2hjm h LYS 65 Cb 0.93 0.08 -0.08 0.00 -0.57 0.00 0.00 32.23 32.59 2hjm h LYS 65 CO 0.07 -0.24 -0.48 0.82 -2.06 0.00 0.00 179.45 177.56 2hjm h ILE 66 N -0.38 0.07 -0.00 1.86 2.04 -1.96 0.50 117.51 119.64 2hjm h ILE 66 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 2hjm h ILE 66 Cb 0.49 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2hjm h ILE 66 CO -0.26 0.00 0.00 -0.33 0.00 0.00 0.00 178.15 177.56 2hjm h GLU 67 N -0.38 0.00 0.12 2.37 5.08 -1.67 -0.05 114.58 120.05 2hjm h GLU 67 Ca 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2hjm h GLU 67 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2hjm h GLU 67 CO -0.56 0.00 -0.06 1.15 -1.00 0.00 0.00 179.01 178.54 2hjm h THR 68 N 0.00 1.02 0.00 1.13 2.02 0.11 -2.64 112.91 114.55 2hjm h THR 68 Ca 0.00 -1.23 -0.00 0.00 0.77 0.00 0.00 66.41 65.95 2hjm h THR 68 Cb 0.01 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2hjm h THR 68 CO -0.00 0.26 -0.00 -0.07 0.37 0.00 0.00 175.52 176.08 2hjm h LEU 69 N -0.80 0.00 0.19 2.58 4.07 0.22 -2.02 115.31 119.54 2hjm h LEU 69 Ca -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 2hjm h LEU 69 Cb 0.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 2hjm h LEU 69 CO 0.03 0.00 -0.09 0.25 -1.08 0.00 0.00 178.44 177.55 2hjm h LEU 70 N 0.00 -0.22 -1.99 1.67 5.85 -0.97 -1.71 115.31 117.94 2hjm h LEU 70 Ca -0.00 -0.16 0.13 0.00 0.84 0.00 0.00 57.88 58.69 2hjm h LEU 70 Cb 0.19 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2hjm h LEU 70 CO 0.00 0.31 0.33 0.78 -0.34 0.00 0.00 178.44 179.51 2hjm h ASN 71 N -1.02 0.01 -0.13 1.25 2.35 -1.26 0.24 115.58 117.03 2hjm h ASN 71 Ca -0.03 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.55 2hjm h ASN 71 Cb 0.37 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 2hjm h ASN 71 CO 0.04 0.01 -0.55 -0.33 -1.65 0.00 0.00 177.43 174.95 2hjm h GLU 72 N 0.01 0.72 -0.15 0.81 5.08 -1.38 -1.54 114.58 118.13 2hjm h GLU 72 Ca 0.22 -0.46 -0.14 0.00 -1.00 0.00 0.00 59.36 57.98 2hjm h GLU 72 Cb 0.85 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2hjm h GLU 72 CO -0.00 1.08 -0.46 0.28 -1.00 0.00 0.00 179.01 178.90 2hjm h VAL 73 N 0.55 1.35 -0.86 3.13 2.07 0.27 -2.47 116.25 120.29 2hjm h VAL 73 Ca 0.01 -1.74 -0.02 0.00 0.82 0.00 0.00 66.70 65.77 2hjm h VAL 73 Cb 1.13 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.90 2hjm h VAL 73 CO 0.11 0.53 0.45 0.11 0.02 0.00 0.00 177.57 178.79 2hjm h LYS 74 N 0.21 1.21 -0.61 1.57 6.56 -0.67 0.07 116.57 124.92 2hjm h LYS 74 Ca -0.02 -0.16 -0.09 0.00 -1.06 0.00 0.00 60.65 59.32 2hjm h LYS 74 Cb 1.08 -0.23 -0.02 0.00 -0.57 0.00 0.00 32.23 32.49 2hjm h LYS 74 CO 0.10 0.91 0.01 1.15 -2.06 0.00 0.00 179.45 179.55 2hjm h THR 75 N 1.21 1.26 -0.24 -0.16 2.02 -1.29 0.11 112.91 115.83 2hjm h THR 75 Ca 0.30 -1.14 -0.14 0.00 0.77 0.00 0.00 66.41 66.20 2hjm h THR 75 Cb 0.07 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2hjm h THR 75 CO -0.04 0.42 -0.43 0.00 0.37 0.00 0.00 175.52 175.83 2hjm h ALA 76 N 1.02 0.80 -0.40 6.16 0.00 -1.09 -1.08 119.26 124.67 2hjm h ALA 76 Ca 0.17 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 2hjm h ALA 76 Cb 0.54 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2hjm h ALA 76 CO 0.03 0.66 -0.23 -0.09 0.00 0.00 0.00 179.25 179.62 2hjm h ARG 77 N 0.48 0.86 0.09 0.00 2.43 -0.64 -1.55 114.38 116.05 2hjm h ARG 77 Ca 0.03 -0.39 -0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2hjm h ARG 77 Cb 0.95 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2hjm h ARG 77 CO 0.09 1.04 -0.04 0.93 -1.51 0.00 0.00 179.97 180.47 2hjm h GLU 78 N 0.68 -0.11 -0.46 0.20 5.08 -0.61 -1.63 114.58 117.72 2hjm h GLU 78 Ca 0.08 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2hjm h GLU 78 Cb 0.80 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 2hjm h GLU 78 CO 0.07 0.02 0.21 1.49 -1.00 0.00 0.00 179.01 179.80 2hjm h GLU 79 N -0.22 0.41 -0.63 2.33 4.57 -1.20 -2.10 114.58 117.74 2hjm h GLU 79 Ca -0.01 -0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.23 2hjm h GLU 79 Cb 0.18 -0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 28.62 2hjm h GLU 79 CO 0.02 0.27 0.28 1.15 -1.18 0.00 0.00 179.01 179.55 2hjm h THR 80 N 0.42 0.83 0.00 0.32 2.02 -1.12 -2.58 112.91 112.80 2hjm h THR 80 Ca 0.21 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.22 2hjm h THR 80 Cb 0.15 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2hjm h THR 80 CO -0.17 0.09 0.00 1.05 0.37 0.00 0.00 175.52 176.86 2hjm h GLU 81 N 0.50 0.00 -6.94 6.66 4.11 -0.92 -3.46 114.58 114.53 2hjm h GLU 81 Ca 0.31 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 59.21 2hjm h GLU 81 Cb 0.33 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.66 2hjm h GLU 81 CO -0.27 0.00 0.62 0.00 0.07 0.00 0.00 179.01 179.43 2hjm s ALA 82 N -3.24 3.30 0.10 1.06 0.00 -0.82 -5.02 121.76 117.13 2hjm s ALA 82 Ca 0.07 1.24 0.03 0.00 0.00 0.00 0.00 51.96 53.30 2hjm s ALA 82 Cb 0.08 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 2hjm s ALA 82 CO 0.62 -0.80 0.14 -0.51 0.00 0.00 0.00 175.76 175.21 2hjm s LEU 83 N -2.34 3.97 0.13 0.00 1.43 -1.26 -5.02 118.68 115.58 2hjm s LEU 83 Ca 0.56 0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 53.55 2hjm s LEU 83 Cb -0.38 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.21 2hjm s LEU 83 CO 0.49 0.14 1.53 -0.07 0.23 0.00 0.00 176.35 178.67 2hjm h LEU 84 N 2.93 0.78 -1.69 1.79 3.38 -1.99 -3.55 115.31 116.97 2hjm h LEU 84 Ca -0.47 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.14 2hjm h LEU 84 Cb 1.17 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2hjm h LEU 84 CO 0.67 0.96 0.00 0.54 0.09 0.00 0.00 178.44 180.70