#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jee s SER 4 N 0.00 4.64 0.00 6.12 1.04 -1.26 -4.85 113.70 119.40 2jee s SER 4 Ca 0.00 2.06 0.00 0.00 0.48 0.00 0.00 55.95 58.49 2jee s SER 4 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2jee s SER 4 CO 0.00 -1.95 0.57 -0.11 0.98 0.00 0.00 173.24 172.73 2jee n LEU 5 N -2.82 0.00 -0.14 2.42 0.00 -1.26 -2.28 117.00 112.93 2jee n LEU 5 Ca 0.11 0.11 -0.28 0.00 0.00 0.00 0.00 56.01 55.95 2jee n LEU 5 Cb 0.52 -0.11 -0.10 0.00 0.00 0.00 0.00 43.42 43.73 2jee n LEU 5 CO 0.49 -0.11 -1.43 1.21 0.00 0.00 0.00 177.39 177.55 2jee n GLU 6 N -1.07 0.60 -0.02 1.96 0.00 -1.26 -3.33 120.64 117.52 2jee n GLU 6 Ca 0.00 0.24 -0.10 0.00 0.00 0.00 0.00 57.16 57.30 2jee n GLU 6 Cb 0.01 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 29.91 2jee n GLU 6 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2jee h VAL 7 N -0.82 1.01 -0.20 6.31 2.07 -1.82 -3.11 116.25 119.69 2jee h VAL 7 Ca -0.68 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 66.83 2jee h VAL 7 Cb 1.67 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 32.18 2jee h VAL 7 CO -0.37 0.03 -0.29 0.15 0.02 0.00 0.00 177.57 177.12 2jee h PHE 8 N 0.18 -0.78 0.00 1.57 3.57 -1.67 -2.77 116.94 117.04 2jee h PHE 8 Ca 0.06 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 2jee h PHE 8 Cb 0.00 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2jee h PHE 8 CO -0.08 -0.36 -0.30 0.93 -2.23 0.00 0.00 178.31 176.26 2jee h GLU 9 N -0.32 0.00 0.00 1.11 5.08 -1.61 -0.30 114.58 118.53 2jee h GLU 9 Ca 0.12 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2jee h GLU 9 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2jee h GLU 9 CO -0.38 0.30 -0.15 -0.22 -1.00 0.00 0.00 179.01 177.56 2jee h LYS 10 N 0.00 0.00 0.00 2.33 3.64 -1.45 -3.15 116.57 117.94 2jee h LYS 10 Ca -0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2jee h LYS 10 Cb 0.77 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 2jee h LYS 10 CO 0.04 0.15 -0.53 -0.07 -2.27 0.00 0.00 179.45 176.76 2jee h LEU 11 N 0.00 0.00 -1.99 5.20 3.38 -1.04 -3.28 115.31 117.57 2jee h LEU 11 Ca -0.00 -0.59 0.08 0.00 0.09 0.00 0.00 57.88 57.47 2jee h LEU 11 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2jee h LEU 11 CO 0.02 1.10 0.40 -0.08 0.09 0.00 0.00 178.44 179.97 2jee h GLU 12 N -1.00 0.00 0.00 1.13 4.81 -1.19 0.11 114.58 118.43 2jee h GLU 12 Ca -0.13 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.96 2jee h GLU 12 Cb 0.94 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 2jee h GLU 12 CO -0.08 0.00 -1.27 0.00 -0.73 0.00 0.00 179.01 176.93 2jee h ALA 13 N 1.46 0.64 0.01 2.92 0.00 -1.69 -3.05 119.26 119.55 2jee h ALA 13 Ca 0.13 -0.70 -0.20 0.00 0.00 0.00 0.00 54.91 54.15 2jee h ALA 13 Cb 0.94 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2jee h ALA 13 CO -0.00 0.77 -0.91 0.87 0.00 0.00 0.00 179.25 179.97 2jee h LYS 14 N 0.00 0.15 0.10 0.00 1.57 -0.90 -3.09 116.57 114.40 2jee h LYS 14 Ca -0.13 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2jee h LYS 14 Cb 1.49 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.85 2jee h LYS 14 CO 0.04 0.96 -0.05 0.28 -0.57 0.00 0.00 179.45 180.11 2jee h VAL 15 N 0.08 1.02 -0.95 0.50 2.07 -1.31 -0.47 116.25 117.19 2jee h VAL 15 Ca -0.04 -0.43 0.09 0.00 0.82 0.00 0.00 66.70 67.14 2jee h VAL 15 Cb 1.56 1.29 -0.12 0.00 -1.52 0.00 0.00 31.29 32.51 2jee h VAL 15 CO 0.14 0.11 -0.54 1.67 0.02 0.00 0.00 177.57 178.96 2jee n GLN 16 N -5.06 -0.39 0.02 1.57 -0.06 -1.15 -0.64 117.38 111.67 2jee n GLN 16 Ca -0.08 1.44 -0.02 0.00 -2.00 0.00 0.00 57.00 56.33 2jee n GLN 16 Cb 0.16 -2.12 0.24 0.00 -4.06 0.00 0.00 30.24 24.45 2jee n GLN 16 CO 0.00 0.00 0.00 0.37 -0.20 0.00 0.00 177.06 177.23 2jee h GLN 17 N 0.00 0.47 -0.19 3.69 4.15 -1.37 0.53 115.11 122.39 2jee h GLN 17 Ca 0.17 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 2jee h GLN 17 Cb 0.41 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 2jee h GLN 17 CO -0.90 0.64 0.09 0.00 -1.93 0.00 0.00 178.83 176.73 2jee h ALA 18 N 1.38 0.24 -0.75 3.38 0.00 -0.47 -3.14 119.26 119.90 2jee h ALA 18 Ca 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2jee h ALA 18 Cb 0.57 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2jee h ALA 18 CO 0.04 -0.19 0.32 0.82 0.00 0.00 0.00 179.25 180.23 2jee h ILE 19 N 0.17 1.25 0.00 0.00 2.04 0.12 -2.38 117.51 118.71 2jee h ILE 19 Ca 0.06 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2jee h ILE 19 Cb 0.13 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2jee h ILE 19 CO -0.01 0.31 0.00 0.47 0.00 0.00 0.00 178.15 178.92 2jee n ASP 20 N -4.30 0.00 0.00 1.72 10.43 0.16 -1.81 116.55 122.76 2jee n ASP 20 Ca 0.07 0.17 0.00 0.00 2.57 0.00 0.00 54.79 57.60 2jee n ASP 20 Cb 0.17 -0.20 0.00 0.00 1.84 0.00 0.00 41.12 42.93 2jee n ASP 20 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 2jee n THR 21 N -1.20 0.00 -0.28 -3.53 -1.04 -0.97 -1.65 114.28 105.60 2jee n THR 21 Ca 0.01 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.12 2jee n THR 21 Cb 0.01 -0.36 0.24 0.00 -1.82 0.00 0.00 70.33 68.40 2jee n THR 21 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2jee h ILE 22 N 0.00 0.36 0.00 12.58 1.08 -1.35 0.75 117.51 130.92 2jee h ILE 22 Ca 0.00 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 2jee h ILE 22 Cb 0.63 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.52 2jee h ILE 22 CO 0.00 0.04 0.00 0.41 -0.69 0.00 0.00 178.15 177.91 2jee n THR 23 N -5.24 0.00 0.00 -0.27 -1.04 -0.75 -1.27 114.28 105.71 2jee n THR 23 Ca 0.19 0.28 0.00 0.00 -2.04 0.00 0.00 64.05 62.47 2jee n THR 23 Cb 0.60 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 2jee n THR 23 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2jee n LEU 24 N 0.00 0.00 -0.27 -4.42 7.94 -0.66 0.25 117.00 119.83 2jee n LEU 24 Ca 0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2jee n LEU 24 Cb 0.00 0.00 0.12 0.00 0.53 0.00 0.00 43.42 44.07 2jee n LEU 24 CO 0.00 0.00 1.15 -0.07 -1.11 0.00 0.00 177.39 177.36 2jee h LEU 25 N 0.00 0.71 -1.46 -1.96 3.38 0.41 0.01 115.31 116.40 2jee h LEU 25 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2jee h LEU 25 Cb 0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2jee h LEU 25 CO 0.00 0.46 0.27 -0.61 0.09 0.00 0.00 178.44 178.65 2jee h GLN 26 N 0.84 0.64 0.22 1.13 5.75 0.47 0.27 115.11 124.42 2jee h GLN 26 Ca 0.34 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.77 2jee h GLN 26 Cb 0.17 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.59 2jee h GLN 26 CO -0.17 0.46 -0.10 0.52 -2.65 0.00 0.00 178.83 176.88 2jee h MET 27 N 0.65 -0.28 -0.80 1.69 2.86 -0.07 -1.16 114.93 117.82 2jee h MET 27 Ca 0.17 0.02 0.18 0.00 -2.06 0.00 0.00 59.70 58.01 2jee h MET 27 Cb -0.01 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 2jee h MET 27 CO -0.03 -0.11 0.54 0.93 1.06 0.00 0.00 176.91 179.30 2jee h GLU 28 N -0.39 0.35 0.02 1.72 5.08 -0.62 -0.94 114.58 119.80 2jee h GLU 28 Ca -0.03 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2jee h GLU 28 Cb 0.30 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2jee h GLU 28 CO 0.05 0.23 -0.01 0.82 -1.00 0.00 0.00 179.01 179.10 2jee h ILE 29 N 0.36 1.22 -0.87 3.13 1.08 -0.76 -2.68 117.51 118.99 2jee h ILE 29 Ca 0.40 -0.76 0.10 0.00 -0.39 0.00 0.00 64.86 64.21 2jee h ILE 29 Cb 1.04 1.73 -0.06 0.00 -3.07 0.00 0.00 36.82 36.46 2jee h ILE 29 CO -0.12 0.19 0.56 -0.08 -0.69 0.00 0.00 178.15 178.01 2jee h GLU 30 N -0.36 0.81 -0.32 2.37 4.57 -0.26 0.10 114.58 121.49 2jee h GLU 30 Ca -0.00 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 58.02 2jee h GLU 30 Cb 0.35 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2jee h GLU 30 CO 0.01 0.53 -0.26 0.93 -1.18 0.00 0.00 179.01 179.04 2jee h GLU 31 N 0.83 0.64 0.16 1.92 5.08 -1.17 -2.92 114.58 119.12 2jee h GLU 31 Ca 0.41 -0.26 -0.31 0.00 -1.00 0.00 0.00 59.36 58.20 2jee h GLU 31 Cb 0.45 -0.03 0.03 0.00 0.50 0.00 0.00 28.75 29.70 2jee h GLU 31 CO -0.17 0.84 -1.30 -0.07 -1.00 0.00 0.00 179.01 177.30 2jee h LEU 32 N 0.56 0.81 -1.85 1.33 3.38 -0.92 0.04 115.31 118.65 2jee h LEU 32 Ca 0.07 -0.79 0.12 0.00 0.09 0.00 0.00 57.88 57.38 2jee h LEU 32 Cb 0.74 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2jee h LEU 32 CO 0.06 1.60 0.52 0.50 0.09 0.00 0.00 178.44 181.21 2jee h LYS 33 N 0.22 0.00 0.00 1.13 3.64 -0.85 -0.60 116.57 120.10 2jee h LYS 33 Ca -0.20 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 58.81 2jee h LYS 33 Cb 1.98 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.74 2jee h LYS 33 CO 0.24 0.00 -2.37 -1.91 -2.27 0.00 0.00 179.45 173.14 2jee n GLU 34 N -3.52 0.58 0.29 1.90 2.13 -1.10 -3.04 120.64 117.87 2jee n GLU 34 Ca 0.08 0.16 0.19 0.00 0.66 0.00 0.00 57.16 58.24 2jee n GLU 34 Cb 0.69 -1.46 0.86 0.00 0.27 0.00 0.00 31.44 31.79 2jee n GLU 34 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2jee h LYS 35 N -0.20 0.00 0.08 5.31 1.63 -0.70 -0.47 116.57 122.23 2jee h LYS 35 Ca -0.56 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 58.91 2jee h LYS 35 Cb 1.77 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.37 2jee h LYS 35 CO -0.15 0.00 -1.82 -0.97 -3.45 0.00 0.00 179.45 173.06 2jee h ASN 36 N 0.00 0.28 0.27 4.20 -1.24 -1.27 -3.14 115.58 114.68 2jee h ASN 36 Ca 0.00 -0.57 -0.07 0.00 0.71 0.00 0.00 56.30 56.37 2jee h ASN 36 Cb 0.31 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 2jee h ASN 36 CO 0.00 1.51 -0.31 -1.13 -1.29 0.00 0.00 177.43 176.21 2jee h ASN 37 N 0.05 0.06 -0.48 1.15 -1.24 -1.33 0.12 115.58 113.92 2jee h ASN 37 Ca -0.35 -0.02 -0.08 0.00 0.71 0.00 0.00 56.30 56.57 2jee h ASN 37 Cb 2.03 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 41.04 2jee h ASN 37 CO 0.10 0.37 -0.00 -1.28 -1.29 0.00 0.00 177.43 175.33 2jee h SER 38 N 0.06 0.83 0.61 1.15 0.87 -1.22 -2.28 113.55 113.56 2jee h SER 38 Ca 0.01 -0.31 -0.20 0.00 -1.23 0.00 0.00 61.79 60.06 2jee h SER 38 Cb 0.57 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2jee h SER 38 CO 0.04 0.93 -0.89 -0.07 -0.53 0.00 0.00 176.83 176.32 2jee h LEU 39 N 0.70 0.24 -0.17 2.23 3.38 -1.43 -2.23 115.31 118.03 2jee h LEU 39 Ca 0.13 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.93 2jee h LEU 39 Cb 0.51 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2jee h LEU 39 CO 0.02 1.01 0.01 -1.28 0.09 0.00 0.00 178.44 178.30 2jee h SER 40 N 0.10 -0.04 -0.81 -0.43 0.87 -0.79 -0.37 113.55 112.07 2jee h SER 40 Ca -0.04 0.03 0.08 0.00 -1.23 0.00 0.00 61.79 60.63 2jee h SER 40 Cb 1.52 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 63.48 2jee h SER 40 CO 0.13 0.01 0.53 -0.61 -0.53 0.00 0.00 176.83 176.36 2jee h GLN 41 N 0.07 0.80 -0.09 2.24 5.75 -1.29 -2.64 115.11 119.94 2jee h GLN 41 Ca 0.08 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 2jee h GLN 41 Cb 0.09 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.46 2jee h GLN 41 CO -0.12 0.53 -0.11 1.49 -2.65 0.00 0.00 178.83 177.97 2jee h GLU 42 N 0.82 0.23 0.00 1.69 4.81 -1.10 -2.63 114.58 118.40 2jee h GLU 42 Ca 0.37 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2jee h GLU 42 Cb 0.35 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2jee h GLU 42 CO -0.14 0.67 0.02 0.28 -0.73 0.00 0.00 179.01 179.12 2jee n VAL 43 N -4.65 1.62 -0.10 0.32 0.31 -0.17 -1.23 118.33 114.44 2jee n VAL 43 Ca -0.07 0.43 -0.16 0.00 -0.01 0.00 0.00 64.34 64.53 2jee n VAL 43 Cb 0.34 -1.43 -0.13 0.00 -0.91 0.00 0.00 33.84 31.70 2jee n VAL 43 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2jee n GLN 44 N -1.40 0.67 0.20 5.55 7.27 -1.02 -3.25 117.38 125.41 2jee n GLN 44 Ca 0.00 0.14 0.09 0.00 0.07 0.00 0.00 57.00 57.30 2jee n GLN 44 Cb 0.02 -1.57 0.21 0.00 2.41 0.00 0.00 30.24 31.32 2jee n GLN 44 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 2jee h ASN 45 N 0.01 0.00 0.23 1.69 4.21 -1.08 -0.72 115.58 119.93 2jee h ASN 45 Ca -0.53 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 56.79 2jee h ASN 45 Cb 2.01 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 39.21 2jee h ASN 45 CO -0.02 0.21 -0.73 0.00 -1.29 0.00 0.00 177.43 175.60 2jee h ALA 46 N 1.79 0.58 0.07 -0.83 0.00 -1.33 -2.46 119.26 117.07 2jee h ALA 46 Ca -0.00 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 54.15 2jee h ALA 46 Cb 1.05 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.80 2jee h ALA 46 CO 0.03 0.76 -0.63 0.37 0.00 0.00 0.00 179.25 179.78 2jee h GLN 47 N 0.29 0.30 0.00 0.00 5.75 -1.52 -1.10 115.11 118.84 2jee h GLN 47 Ca -0.03 -0.42 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 2jee h GLN 47 Cb 1.31 0.14 0.00 0.00 1.07 0.00 0.00 27.48 30.00 2jee h GLN 47 CO 0.13 1.14 0.00 1.25 -2.65 0.00 0.00 178.83 178.70 2jee h HIS 48 N -0.33 0.00 0.08 3.99 2.76 -1.22 -1.64 115.15 118.79 2jee h HIS 48 Ca -0.10 0.00 -0.37 0.00 -2.20 0.00 0.00 60.37 57.70 2jee h HIS 48 Cb 1.42 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.34 2jee h HIS 48 CO 0.18 0.00 -2.17 0.94 -1.30 0.00 0.00 177.93 175.58 2jee n GLN 49 N -2.53 0.72 -0.22 5.26 7.27 -0.93 -4.01 117.38 122.94 2jee n GLN 49 Ca -0.00 0.22 -0.07 0.00 0.07 0.00 0.00 57.00 57.22 2jee n GLN 49 Cb 0.16 -1.64 0.03 0.00 2.41 0.00 0.00 30.24 31.20 2jee n GLN 49 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jee h ARG 50 N 0.05 0.91 0.00 3.69 3.08 -0.90 -1.60 114.38 119.61 2jee h ARG 50 Ca -0.48 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.41 2jee h ARG 50 Cb 1.99 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.89 2jee h ARG 50 CO 0.02 0.76 0.00 -1.91 -1.07 0.00 0.00 179.97 177.78 2jee n GLU 51 N -4.46 0.38 -0.00 0.04 2.13 -0.64 -2.14 120.64 115.94 2jee n GLU 51 Ca 0.04 0.07 0.03 0.00 0.66 0.00 0.00 57.16 57.96 2jee n GLU 51 Cb 0.16 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.33 2jee n GLU 51 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2jee n GLU 52 N -1.16 3.55 -0.05 5.31 2.13 -0.78 -4.11 120.64 125.53 2jee n GLU 52 Ca 0.10 -0.02 -0.00 0.00 0.66 0.00 0.00 57.16 57.90 2jee n GLU 52 Cb 0.10 -0.89 -0.00 0.00 0.27 0.00 0.00 31.44 30.93 2jee n GLU 52 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2jee h LEU 53 N 0.00 0.00 -1.08 4.31 3.38 -0.79 -3.12 115.31 118.02 2jee h LEU 53 Ca 0.00 0.00 0.31 0.00 0.09 0.00 0.00 57.88 58.28 2jee h LEU 53 Cb 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2jee h LEU 53 CO 0.00 0.51 0.97 -0.62 0.09 0.00 0.00 178.44 179.39 2jee n GLU 54 N -4.72 0.01 -0.00 1.13 1.02 -0.99 0.00 120.64 117.09 2jee n GLU 54 Ca -0.00 0.77 -0.22 0.00 -0.02 0.00 0.00 57.16 57.69 2jee n GLU 54 Cb 0.02 -1.86 -0.14 0.00 -0.02 0.00 0.00 31.44 29.44 2jee n GLU 54 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2jee h ARG 55 N 0.00 0.23 -0.52 3.49 2.43 -1.71 -3.06 114.38 115.24 2jee h ARG 55 Ca 0.51 -0.39 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 2jee h ARG 55 Cb 2.45 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 32.13 2jee h ARG 55 CO -0.01 1.19 0.04 1.49 -1.51 0.00 0.00 179.97 181.17 2jee h GLU 56 N -0.29 0.89 -0.32 0.20 4.57 -0.41 -1.53 114.58 117.69 2jee h GLU 56 Ca -0.33 -0.26 0.07 0.00 -1.18 0.00 0.00 59.36 57.66 2jee h GLU 56 Cb 1.78 -0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 30.20 2jee h GLU 56 CO 0.04 0.90 -0.21 -0.97 -1.18 0.00 0.00 179.01 177.58 2jee h ASN 57 N 0.76 -0.71 -0.22 1.04 -0.73 -0.58 -1.24 115.58 113.92 2jee h ASN 57 Ca 0.15 0.14 -0.05 0.00 1.87 0.00 0.00 56.30 58.42 2jee h ASN 57 Cb 0.47 0.36 -0.02 0.00 0.27 0.00 0.00 38.32 39.40 2jee h ASN 57 CO 0.02 -0.25 -0.01 0.78 -0.37 0.00 0.00 177.43 177.60 2jee h ASN 58 N -0.18 0.48 -0.68 1.15 -0.26 -1.48 -1.19 115.58 113.42 2jee h ASN 58 Ca 0.17 -0.09 -0.02 0.00 -0.56 0.00 0.00 56.30 55.80 2jee h ASN 58 Cb 0.43 -0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 37.53 2jee h ASN 58 CO -0.43 0.56 0.37 -0.74 -1.06 0.00 0.00 177.43 176.13 2jee h HIS 59 N 0.49 0.95 0.16 1.19 2.76 -0.36 -2.75 115.15 117.58 2jee h HIS 59 Ca 0.10 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 2jee h HIS 59 Cb 0.33 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.99 2jee h HIS 59 CO 0.01 0.67 -0.08 -0.07 -1.30 0.00 0.00 177.93 177.16 2jee h LEU 60 N 0.97 -0.18 -1.71 0.26 3.38 -0.82 -2.04 115.31 115.17 2jee h LEU 60 Ca 0.25 -0.17 0.41 0.00 0.09 0.00 0.00 57.88 58.46 2jee h LEU 60 Cb 0.04 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.75 2jee h LEU 60 CO -0.04 0.36 0.95 0.50 0.09 0.00 0.00 178.44 180.30 2jee h LYS 61 N -1.01 0.09 0.15 1.13 1.63 -1.32 0.65 116.57 117.89 2jee h LYS 61 Ca -0.02 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2jee h LYS 61 Cb 0.34 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2jee h LYS 61 CO 0.04 0.06 -0.07 1.49 -3.45 0.00 0.00 179.45 177.51 2jee h GLU 62 N 0.09 -0.20 -0.11 1.90 4.81 -1.56 -2.06 114.58 117.45 2jee h GLU 62 Ca 0.73 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 60.01 2jee h GLU 62 Cb 2.58 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 32.00 2jee h GLU 62 CO -0.18 0.18 0.15 0.37 -0.73 0.00 0.00 179.01 178.80 2jee h GLN 63 N -0.94 0.00 0.16 1.92 4.15 0.17 0.12 115.11 120.68 2jee h GLN 63 Ca -0.02 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.07 2jee h GLN 63 Cb 0.47 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.17 2jee h GLN 63 CO 0.03 0.00 -1.62 0.37 -1.93 0.00 0.00 178.83 175.68 2jee h GLN 64 N 0.00 0.34 0.00 1.69 4.15 0.06 -2.53 115.11 118.83 2jee h GLN 64 Ca 0.05 -0.58 -0.00 0.00 0.77 0.00 0.00 58.65 58.89 2jee h GLN 64 Cb 0.35 0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.25 2jee h GLN 64 CO -0.00 1.23 -0.01 -0.91 -1.93 0.00 0.00 178.83 177.22 2jee h ASN 65 N 0.09 0.00 0.00 -0.69 -0.26 -0.69 0.14 115.58 114.17 2jee h ASN 65 Ca -0.29 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.45 2jee h ASN 65 Cb 2.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.33 2jee h ASN 65 CO 0.18 0.01 0.00 0.61 -1.06 0.00 0.00 177.43 177.17 2jee n GLY 66 N -0.56 -2.72 0.42 2.83 0.00 -0.03 -3.65 105.19 101.48 2jee n GLY 66 Ca -0.01 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.24 2jee n GLY 66 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2jee h TRP 67 N 0.00 0.52 0.00 1.61 4.06 -1.31 -1.94 115.95 118.90 2jee h TRP 67 Ca 0.00 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.97 2jee h TRP 67 Cb 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 28.01 2jee h TRP 67 CO 0.10 0.08 0.14 0.37 -3.56 0.00 0.00 178.44 175.56 2jee h GLN 68 N 0.34 0.00 0.00 0.49 5.75 -0.79 0.35 115.11 121.25 2jee h GLN 68 Ca 0.54 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 58.83 2jee h GLN 68 Cb 1.49 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 30.00 2jee h GLN 68 CO -0.22 0.00 -1.78 0.39 -2.65 0.00 0.00 178.83 174.57 2jee n GLU 69 N -2.23 0.33 0.06 1.69 1.02 -0.76 -3.63 120.64 117.12 2jee n GLU 69 Ca -0.01 0.09 0.21 0.00 -0.02 0.00 0.00 57.16 57.43 2jee n GLU 69 Cb 0.17 -1.20 0.63 0.00 -0.02 0.00 0.00 31.44 31.02 2jee n GLU 69 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2jee h ARG 70 N -0.15 0.00 0.11 3.49 1.12 -1.04 1.26 114.38 119.17 2jee h ARG 70 Ca -0.32 0.00 -0.27 0.00 -1.11 0.00 0.00 59.98 58.27 2jee h ARG 70 Cb 1.43 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 31.40 2jee h ARG 70 CO -0.10 0.00 -1.20 1.25 -3.11 0.00 0.00 179.97 176.81 2jee h LEU 71 N 0.00 0.55 0.03 3.80 5.85 -0.49 -1.98 115.31 123.07 2jee h LEU 71 Ca 0.23 -0.54 -0.23 0.00 0.84 0.00 0.00 57.88 58.18 2jee h LEU 71 Cb 1.57 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 2jee h LEU 71 CO -0.00 1.39 -1.12 -0.61 -0.34 0.00 0.00 178.44 177.77 2jee h GLN 72 N 0.14 0.07 0.18 1.25 4.15 0.61 -2.16 115.11 119.34 2jee h GLN 72 Ca -0.14 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.15 2jee h GLN 72 Cb 1.90 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 29.63 2jee h GLN 72 CO 0.21 1.02 -0.13 0.00 -1.93 0.00 0.00 178.83 178.00 2jee h ALA 73 N 0.89 -0.94 -1.54 3.38 0.00 0.10 -2.71 119.26 118.45 2jee h ALA 73 Ca -0.06 -0.06 0.49 0.00 0.00 0.00 0.00 54.91 55.28 2jee h ALA 73 Cb 1.84 0.29 -0.12 0.00 0.00 0.00 0.00 17.79 19.79 2jee h ALA 73 CO 0.14 -0.94 1.03 -0.07 0.00 0.00 0.00 179.25 179.42 2jee h LEU 74 N -0.29 0.15 0.07 0.00 3.38 -1.35 -0.95 115.31 116.31 2jee h LEU 74 Ca -0.02 0.10 -0.23 0.00 0.09 0.00 0.00 57.88 57.82 2jee h LEU 74 Cb 0.24 0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.11 2jee h LEU 74 CO 0.01 -0.16 -0.94 -0.07 0.09 0.00 0.00 178.44 177.37 2jee h LEU 75 N 0.02 0.71 -0.27 1.67 3.38 -1.33 -2.99 115.31 116.50 2jee h LEU 75 Ca 0.88 -0.81 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2jee h LEU 75 Cb 3.03 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 43.53 2jee h LEU 75 CO -0.32 1.44 0.06 1.23 0.09 0.00 0.00 178.44 180.94 2jee h GLY 76 N 0.07 0.31 1.23 0.83 0.00 -0.85 0.10 103.07 104.77 2jee h GLY 76 Ca -0.14 -0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.26 2jee h GLY 76 CO 0.18 -0.01 0.32 -0.09 0.00 0.00 0.00 176.54 176.94 2jee h ARG 77 N 0.16 0.24 0.00 4.80 2.43 -1.57 -1.66 114.38 118.78 2jee h ARG 77 Ca 0.13 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.09 2jee h ARG 77 Cb 0.13 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2jee h ARG 77 CO -0.16 0.16 -0.89 1.98 -1.51 0.00 0.00 179.97 179.55 2jee h MET 78 N 0.25 0.03 -0.02 0.20 4.05 -1.21 -3.28 114.93 114.95 2jee h MET 78 Ca 0.21 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 2jee h MET 78 Cb 0.51 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 2jee h MET 78 CO -0.04 0.89 0.00 0.39 0.23 0.00 0.00 176.91 178.38 2jee n GLU 79 N -3.52 1.34 0.00 0.39 1.02 -0.05 -4.81 120.64 115.01 2jee n GLU 79 Ca -0.01 -0.50 0.00 0.00 -0.02 0.00 0.00 57.16 56.63 2jee n GLU 79 Cb 0.83 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 2jee n GLU 79 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2jee n GLU 80 N -0.37 0.00 0.00 3.49 1.02 -1.06 -5.08 120.64 118.65 2jee n GLU 80 Ca 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 2jee n GLU 80 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.65 2jee n GLU 80 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59