#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 4.87 0.00 6.12 1.04 -1.26 -4.83 113.70 119.64 2jee s SER 4 Ca 0.00 2.00 0.00 0.00 0.48 0.00 0.00 55.95 58.43 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 -1.79 0.53 -0.11 0.98 0.00 0.00 173.24 172.85 2jee n LEU 5 N -2.70 0.00 -0.12 2.42 0.00 -1.26 -2.35 117.00 112.99 2jee n LEU 5 Ca 0.10 0.09 -0.25 0.00 0.00 0.00 0.00 56.01 55.95 2jee n LEU 5 Cb 0.52 -0.09 -0.09 0.00 0.00 0.00 0.00 43.42 43.76 2jee n LEU 5 CO 0.49 -0.09 -1.10 1.21 0.00 0.00 0.00 177.39 177.90 2jee n GLU 6 N -1.03 0.57 0.02 1.96 0.00 -1.26 -3.33 120.64 117.57 2jee n GLU 6 Ca 0.00 0.35 -0.10 0.00 0.00 0.00 0.00 57.16 57.41 2jee n GLU 6 Cb 0.01 -1.56 -0.04 0.00 0.00 0.00 0.00 31.44 29.85 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 -1.00 0.77 -0.32 6.31 2.07 -1.83 -3.16 116.25 119.10 2jee h VAL 7 Ca -0.52 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.07 2jee h VAL 7 Cb 1.44 0.77 -0.08 0.00 -1.52 0.00 0.00 31.29 31.89 2jee h VAL 7 CO -0.32 0.00 -0.28 0.15 0.02 0.00 0.00 177.57 177.14 2jee h PHE 8 N -0.11 -0.76 0.00 1.57 3.57 -1.67 -2.80 116.94 116.74 2jee h PHE 8 Ca 0.06 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 2jee h PHE 8 Cb 0.19 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2jee h PHE 8 CO -0.18 -0.35 -0.25 0.93 -2.23 0.00 0.00 178.31 176.22 2jee h GLU 9 N -0.25 0.00 0.00 1.11 5.08 -1.61 -0.74 114.58 118.17 2jee h GLU 9 Ca 0.16 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2jee h GLU 9 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2jee h GLU 9 CO -0.46 0.25 -0.19 -0.22 -1.00 0.00 0.00 179.01 177.39 2jee h LYS 10 N 0.00 0.00 0.00 2.33 3.64 -1.48 -3.10 116.57 117.96 2jee h LYS 10 Ca -0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2jee h LYS 10 Cb 0.80 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 2jee h LYS 10 CO 0.03 0.19 -0.48 -0.07 -2.27 0.00 0.00 179.45 176.86 2jee h LEU 11 N 0.00 0.00 -1.85 5.20 3.38 -1.12 -3.27 115.31 117.65 2jee h LEU 11 Ca -0.00 -0.36 0.27 0.00 0.09 0.00 0.00 57.88 57.88 2jee h LEU 11 Cb 0.88 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 2jee h LEU 11 CO 0.02 0.95 0.79 -0.08 0.09 0.00 0.00 178.44 180.22 2jee h GLU 12 N -1.00 0.00 0.00 1.13 4.81 -1.28 0.20 114.58 118.44 2jee h GLU 12 Ca -0.09 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.95 2jee h GLU 12 Cb 0.71 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 2jee h GLU 12 CO -0.06 0.00 -1.16 0.00 -0.73 0.00 0.00 179.01 177.07 2jee h ALA 13 N 1.30 0.62 0.00 2.92 0.00 -1.69 -2.95 119.26 119.46 2jee h ALA 13 Ca 0.45 -0.87 -0.19 0.00 0.00 0.00 0.00 54.91 54.30 2jee h ALA 13 Cb 2.03 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.94 2jee h ALA 13 CO -0.00 1.02 -0.92 0.87 0.00 0.00 0.00 179.25 180.23 2jee h LYS 14 N 0.00 0.00 -0.03 0.00 1.57 -0.74 -3.11 116.57 114.27 2jee h LYS 14 Ca -0.12 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2jee h LYS 14 Cb 1.64 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.95 2jee h LYS 14 CO 0.07 0.92 0.01 0.28 -0.57 0.00 0.00 179.45 180.16 2jee h VAL 15 N 0.00 1.11 -0.62 0.50 2.07 -1.11 -0.88 116.25 117.32 2jee h VAL 15 Ca -0.01 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.28 2jee h VAL 15 Cb 1.64 1.27 -0.10 0.00 -1.52 0.00 0.00 31.29 32.57 2jee h VAL 15 CO 0.12 0.08 -0.49 -0.61 0.02 0.00 0.00 177.57 176.69 2jee h GLN 16 N -0.08 -0.22 -0.26 1.57 5.75 -1.57 0.48 115.11 120.77 2jee h GLN 16 Ca 0.01 0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.46 2jee h GLN 16 Cb 0.13 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 2jee h GLN 16 CO -0.00 -0.15 -0.12 0.37 -2.65 0.00 0.00 178.83 176.28 2jee h GLN 17 N -0.23 0.44 -0.10 1.69 4.15 -1.44 0.56 115.11 120.18 2jee h GLN 17 Ca 0.16 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 2jee h GLN 17 Cb 0.55 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.18 2jee h GLN 17 CO -0.72 0.56 0.06 0.00 -1.93 0.00 0.00 178.83 176.80 2jee h ALA 18 N 1.47 0.13 -0.56 3.38 0.00 -0.55 -3.18 119.26 119.96 2jee h ALA 18 Ca 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2jee h ALA 18 Cb 0.46 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2jee h ALA 18 CO 0.03 -0.34 0.18 0.82 0.00 0.00 0.00 179.25 179.93 2jee h ILE 19 N 0.09 1.22 0.00 0.00 2.04 0.68 -2.51 117.51 119.02 2jee h ILE 19 Ca 0.04 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2jee h ILE 19 Cb 0.05 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2jee h ILE 19 CO -0.01 0.28 0.00 0.47 0.00 0.00 0.00 178.15 178.89 2jee n ASP 20 N -4.30 0.00 0.00 1.72 10.43 0.18 -1.86 116.55 122.72 2jee n ASP 20 Ca 0.04 0.12 0.00 0.00 2.57 0.00 0.00 54.79 57.52 2jee n ASP 20 Cb 0.20 -0.22 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 -1.22 0.00 -0.25 -3.53 -1.04 -1.09 -2.13 114.28 105.01 2jee n THR 21 Ca 0.03 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.01 2jee n THR 21 Cb 0.04 -0.29 0.02 0.00 -1.82 0.00 0.00 70.33 68.28 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 0.13 0.00 12.58 1.08 -1.39 0.85 117.51 130.76 2jee h ILE 22 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2jee h ILE 22 Cb 0.55 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.43 2jee h ILE 22 CO 0.00 0.00 0.00 0.41 -0.69 0.00 0.00 178.15 177.87 2jee n THR 23 N -5.45 0.00 0.00 -0.27 -1.04 -0.78 -0.50 114.28 106.24 2jee n THR 23 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2jee n THR 23 Cb 0.37 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 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 -0.22 -4.42 7.94 -0.90 0.32 117.00 119.71 2jee n LEU 24 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 2jee n LEU 24 Cb 0.00 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.04 2jee n LEU 24 CO 0.00 0.00 1.08 -0.07 -1.11 0.00 0.00 177.39 177.29 2jee h LEU 25 N 0.00 0.52 -1.59 -1.96 3.38 -0.89 -0.22 115.31 114.55 2jee h LEU 25 Ca 0.00 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2jee h LEU 25 Cb 0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2jee h LEU 25 CO 0.00 0.34 0.31 -0.61 0.09 0.00 0.00 178.44 178.57 2jee h GLN 26 N 0.66 0.52 0.70 1.13 5.75 0.78 0.53 115.11 125.18 2jee h GLN 26 Ca 0.29 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.72 2jee h GLN 26 Cb 0.18 -0.12 0.01 0.00 1.07 0.00 0.00 27.48 28.62 2jee h GLN 26 CO -0.18 0.35 -0.34 0.52 -2.65 0.00 0.00 178.83 176.53 2jee h MET 27 N 0.54 -0.90 -1.08 1.69 2.86 -0.46 -1.52 114.93 116.06 2jee h MET 27 Ca 0.18 0.06 0.32 0.00 -2.06 0.00 0.00 59.70 58.20 2jee h MET 27 Cb 0.07 0.21 -0.12 0.00 0.06 0.00 0.00 31.60 31.82 2jee h MET 27 CO -0.05 -0.57 0.67 0.93 1.06 0.00 0.00 176.91 178.95 2jee h GLU 28 N -1.11 0.33 0.77 1.72 5.08 -0.78 -0.35 114.58 120.24 2jee h GLU 28 Ca -0.10 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 2jee h GLU 28 Cb 0.75 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.93 2jee h GLU 28 CO 0.16 0.22 -0.37 0.82 -1.00 0.00 0.00 179.01 178.83 2jee h ILE 29 N 0.34 0.23 -1.02 3.13 1.08 -0.79 -2.65 117.51 117.83 2jee h ILE 29 Ca 0.69 -0.03 0.25 0.00 -0.39 0.00 0.00 64.86 65.38 2jee h ILE 29 Cb 1.74 0.24 -0.10 0.00 -3.07 0.00 0.00 36.82 35.63 2jee h ILE 29 CO -0.44 0.00 0.64 -0.08 -0.69 0.00 0.00 178.15 177.58 2jee h GLU 30 N -1.06 0.46 -0.15 2.37 4.57 -0.04 0.22 114.58 120.96 2jee h GLU 30 Ca -0.11 -0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 57.88 2jee h GLU 30 Cb 0.80 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 2jee h GLU 30 CO 0.17 0.31 -0.60 0.93 -1.18 0.00 0.00 179.01 178.64 2jee h GLU 31 N 0.48 0.49 0.02 1.92 5.08 -1.14 -2.91 114.58 118.52 2jee h GLU 31 Ca 0.60 -0.33 -0.23 0.00 -1.00 0.00 0.00 59.36 58.39 2jee h GLU 31 Cb 1.36 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2jee h GLU 31 CO -0.34 0.95 -0.98 -0.07 -1.00 0.00 0.00 179.01 177.56 2jee h LEU 32 N 0.37 0.54 -2.50 1.33 3.38 -0.72 0.14 115.31 117.84 2jee h LEU 32 Ca -0.00 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.54 2jee h LEU 32 Cb 1.15 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2jee h LEU 32 CO 0.11 1.25 0.14 0.50 0.09 0.00 0.00 178.44 180.53 2jee h LYS 33 N 0.22 0.00 0.00 1.13 3.64 -1.02 -0.84 116.57 119.69 2jee h LYS 33 Ca -0.09 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.94 2jee h LYS 33 Cb 1.62 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.38 2jee h LYS 33 CO 0.17 0.00 -2.28 -1.91 -2.27 0.00 0.00 179.45 173.16 2jee n GLU 34 N -3.28 0.53 0.29 1.90 2.13 -1.04 -3.13 120.64 118.04 2jee n GLU 34 Ca -0.02 0.16 0.14 0.00 0.66 0.00 0.00 57.16 58.10 2jee n GLU 34 Cb 0.22 -1.41 0.85 0.00 0.27 0.00 0.00 31.44 31.37 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 -0.28 0.00 0.12 5.31 1.63 -0.56 0.20 116.57 122.99 2jee h LYS 35 Ca -0.53 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 58.96 2jee h LYS 35 Cb 1.68 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.31 2jee h LYS 35 CO -0.17 0.03 -1.58 -0.97 -3.45 0.00 0.00 179.45 173.31 2jee h ASN 36 N 0.00 0.40 0.34 4.20 -1.24 -1.31 -2.96 115.58 115.00 2jee h ASN 36 Ca -0.00 -0.58 -0.08 0.00 0.71 0.00 0.00 56.30 56.36 2jee h ASN 36 Cb 0.08 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 38.99 2jee h ASN 36 CO 0.00 1.48 -0.36 -1.13 -1.29 0.00 0.00 177.43 176.14 2jee h ASN 37 N 0.07 0.03 -0.30 1.15 -1.24 -1.30 0.12 115.58 114.11 2jee h ASN 37 Ca -0.26 -0.01 -0.06 0.00 0.71 0.00 0.00 56.30 56.68 2jee h ASN 37 Cb 2.02 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 41.06 2jee h ASN 37 CO 0.16 0.39 -0.06 -1.28 -1.29 0.00 0.00 177.43 175.35 2jee h SER 38 N 0.03 0.57 0.26 1.15 0.87 -1.06 -2.44 113.55 112.92 2jee h SER 38 Ca 0.00 -0.35 -0.14 0.00 -1.23 0.00 0.00 61.79 60.07 2jee h SER 38 Cb 0.65 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 2jee h SER 38 CO 0.05 0.79 -0.55 -0.07 -0.53 0.00 0.00 176.83 176.52 2jee h LEU 39 N 0.34 0.34 -0.21 2.23 3.38 -1.30 -1.93 115.31 118.16 2jee h LEU 39 Ca 0.08 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.90 2jee h LEU 39 Cb 0.53 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2jee h LEU 39 CO 0.03 0.82 0.01 -1.28 0.09 0.00 0.00 178.44 178.10 2jee h SER 40 N 0.24 -0.06 -0.58 -0.43 0.87 -0.81 -0.92 113.55 111.85 2jee h SER 40 Ca 0.00 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.63 2jee h SER 40 Cb 1.04 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 63.04 2jee h SER 40 CO 0.09 -0.00 0.38 -0.61 -0.53 0.00 0.00 176.83 176.16 2jee h GLN 41 N 0.08 0.68 -0.17 2.24 5.75 -1.19 -2.40 115.11 120.10 2jee h GLN 41 Ca 0.10 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.48 2jee h GLN 41 Cb 0.12 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.51 2jee h GLN 41 CO -0.16 0.45 -0.20 1.49 -2.65 0.00 0.00 178.83 177.76 2jee h GLU 42 N 0.70 0.43 0.00 1.69 4.81 -1.13 -2.83 114.58 118.26 2jee h GLU 42 Ca 0.23 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2jee h GLU 42 Cb 0.05 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2jee h GLU 42 CO -0.06 0.82 0.00 0.28 -0.73 0.00 0.00 179.01 179.32 2jee n VAL 43 N -4.47 1.67 -0.05 0.32 0.31 -0.37 -1.28 118.33 114.45 2jee n VAL 43 Ca -0.06 0.42 -0.19 0.00 -0.01 0.00 0.00 64.34 64.51 2jee n VAL 43 Cb 0.40 -1.34 -0.13 0.00 -0.91 0.00 0.00 33.84 31.86 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 -1.51 0.71 0.20 5.55 7.27 -0.94 -3.20 117.38 125.45 2jee n GLN 44 Ca 0.01 0.21 0.09 0.00 0.07 0.00 0.00 57.00 57.38 2jee n GLN 44 Cb 0.06 -1.64 0.22 0.00 2.41 0.00 0.00 30.24 31.29 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 0.04 0.00 0.21 1.69 4.21 -1.19 -0.90 115.58 119.63 2jee h ASN 45 Ca -0.48 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 56.83 2jee h ASN 45 Cb 2.00 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 39.19 2jee h ASN 45 CO 0.02 0.19 -0.78 0.00 -1.29 0.00 0.00 177.43 175.57 2jee h ALA 46 N 1.81 0.50 0.06 -0.83 0.00 -1.36 -2.51 119.26 116.93 2jee h ALA 46 Ca -0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 54.91 54.15 2jee h ALA 46 Cb 1.03 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.79 2jee h ALA 46 CO 0.02 0.76 -0.53 0.37 0.00 0.00 0.00 179.25 179.87 2jee h GLN 47 N 0.31 0.26 0.00 0.00 5.75 -1.50 -0.87 115.11 119.06 2jee h GLN 47 Ca -0.04 -0.35 0.00 0.00 -0.15 0.00 0.00 58.65 58.10 2jee h GLN 47 Cb 1.38 0.12 0.00 0.00 1.07 0.00 0.00 27.48 30.05 2jee h GLN 47 CO 0.14 1.11 0.00 1.25 -2.65 0.00 0.00 178.83 178.68 2jee h HIS 48 N -0.43 0.00 0.11 3.99 2.76 -1.28 -1.53 115.15 118.78 2jee h HIS 48 Ca -0.08 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 57.73 2jee h HIS 48 Cb 1.34 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.28 2jee h HIS 48 CO 0.19 0.00 -2.00 0.94 -1.30 0.00 0.00 177.93 175.77 2jee n GLN 49 N -2.94 0.75 -0.20 5.26 7.27 -0.94 -3.91 117.38 122.66 2jee n GLN 49 Ca -0.01 0.26 -0.10 0.00 0.07 0.00 0.00 57.00 57.22 2jee n GLN 49 Cb 0.15 -1.71 0.02 0.00 2.41 0.00 0.00 30.24 31.11 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 0.06 1.01 0.00 3.69 3.08 -0.77 -1.86 114.38 119.59 2jee h ARG 50 Ca -0.42 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.30 2jee h ARG 50 Cb 2.03 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.99 2jee h ARG 50 CO 0.08 1.01 0.00 -1.91 -1.07 0.00 0.00 179.97 178.08 2jee n GLU 51 N -4.23 0.46 -0.00 0.04 2.13 -0.61 -2.30 120.64 116.13 2jee n GLU 51 Ca 0.02 0.05 0.02 0.00 0.66 0.00 0.00 57.16 57.91 2jee n GLU 51 Cb 0.35 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.52 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 -1.12 3.73 -0.06 5.31 2.13 -0.80 -4.14 120.64 125.70 2jee n GLU 52 Ca 0.12 -0.01 -0.03 0.00 0.66 0.00 0.00 57.16 57.90 2jee n GLU 52 Cb 0.10 -0.85 -0.02 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 -1.38 4.31 3.38 -0.97 -3.10 115.31 117.55 2jee h LEU 53 Ca 0.00 -0.14 0.40 0.00 0.09 0.00 0.00 57.88 58.23 2jee h LEU 53 Cb 0.15 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 2jee h LEU 53 CO 0.00 0.62 1.19 -0.62 0.09 0.00 0.00 178.44 179.72 2jee n GLU 54 N -4.73 0.01 -0.03 1.13 1.02 -0.97 0.02 120.64 117.08 2jee n GLU 54 Ca -0.03 0.94 -0.20 0.00 -0.02 0.00 0.00 57.16 57.85 2jee n GLU 54 Cb 0.11 -2.25 -0.13 0.00 -0.02 0.00 0.00 31.44 29.15 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 0.14 -0.82 3.49 2.43 -1.72 -3.06 114.38 114.84 2jee h ARG 55 Ca 0.65 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 59.55 2jee h ARG 55 Cb 3.03 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 32.63 2jee h ARG 55 CO -0.01 1.12 0.42 1.49 -1.51 0.00 0.00 179.97 181.48 2jee h GLU 56 N -0.61 1.16 0.07 0.20 4.57 -0.75 -1.25 114.58 117.98 2jee h GLU 56 Ca -0.24 -0.15 0.02 0.00 -1.18 0.00 0.00 59.36 57.81 2jee h GLU 56 Cb 1.49 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 29.83 2jee h GLU 56 CO -0.00 0.88 -0.24 -0.97 -1.18 0.00 0.00 179.01 177.50 2jee h ASN 57 N 1.15 -0.68 -0.43 1.04 -0.73 -0.56 -1.24 115.58 114.13 2jee h ASN 57 Ca 0.28 0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.54 2jee h ASN 57 Cb 0.08 0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.91 2jee h ASN 57 CO -0.04 -0.32 0.26 0.78 -0.37 0.00 0.00 177.43 177.75 2jee h ASN 58 N -0.41 0.52 -0.90 1.15 -0.26 -1.47 -1.34 115.58 112.88 2jee h ASN 58 Ca 0.04 -0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.74 2jee h ASN 58 Cb 0.46 -0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 37.54 2jee h ASN 58 CO -0.16 0.40 0.49 -0.74 -1.06 0.00 0.00 177.43 176.36 2jee h HIS 59 N 0.61 1.23 0.27 1.19 2.76 -0.49 -2.80 115.15 117.92 2jee h HIS 59 Ca 0.16 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 2jee h HIS 59 Cb -0.02 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 28.55 2jee h HIS 59 CO 0.00 0.85 -0.13 -0.07 -1.30 0.00 0.00 177.93 177.29 2jee h LEU 60 N 1.26 -0.30 -1.49 0.26 3.38 -0.72 -1.80 115.31 115.89 2jee h LEU 60 Ca 0.32 -0.12 0.42 0.00 0.09 0.00 0.00 57.88 58.59 2jee h LEU 60 Cb 0.03 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 40.74 2jee h LEU 60 CO -0.05 0.18 0.88 0.50 0.09 0.00 0.00 178.44 180.04 2jee h LYS 61 N -1.04 0.11 0.31 1.13 1.63 -1.35 0.79 116.57 118.15 2jee h LYS 61 Ca -0.04 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 2jee h LYS 61 Cb 0.40 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 2jee h LYS 61 CO 0.06 0.07 -0.15 1.49 -3.45 0.00 0.00 179.45 177.47 2jee h GLU 62 N 0.11 -0.40 -0.23 1.90 4.81 -1.55 -1.86 114.58 117.35 2jee h GLU 62 Ca 0.79 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 60.11 2jee h GLU 62 Cb 2.53 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 32.00 2jee h GLU 62 CO -0.34 -0.10 0.21 0.37 -0.73 0.00 0.00 179.01 178.42 2jee h GLN 63 N -0.98 0.00 0.17 1.92 4.15 0.62 0.23 115.11 121.22 2jee h GLN 63 Ca -0.04 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.06 2jee h GLN 63 Cb 0.49 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.19 2jee h GLN 63 CO 0.07 0.00 -1.53 0.37 -1.93 0.00 0.00 178.83 175.81 2jee h GLN 64 N 0.00 0.36 0.00 1.69 4.15 0.29 -2.57 115.11 119.04 2jee h GLN 64 Ca 0.11 -0.62 -0.02 0.00 0.77 0.00 0.00 58.65 58.89 2jee h GLN 64 Cb 0.54 0.23 -0.00 0.00 0.21 0.00 0.00 27.48 28.46 2jee h GLN 64 CO -0.00 1.26 -0.10 -0.91 -1.93 0.00 0.00 178.83 177.15 2jee h ASN 65 N 0.10 0.00 0.00 -0.69 -0.26 -0.74 0.13 115.58 114.12 2jee h ASN 65 Ca -0.25 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.49 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 0.20 0.10 0.00 0.61 -1.06 0.00 0.00 177.43 177.28 2jee n GLY 66 N -0.62 -3.19 0.45 2.83 0.00 0.77 -3.66 105.19 101.76 2jee n GLY 66 Ca -0.02 0.26 0.27 0.00 0.00 0.00 0.00 46.02 46.54 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 0.43 -0.02 1.61 4.06 -1.33 -1.25 115.95 119.46 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 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 28.04 2jee h TRP 67 CO -0.00 0.02 0.28 0.37 -3.56 0.00 0.00 178.44 175.56 2jee h GLN 68 N 0.25 0.00 0.00 0.49 -0.00 -0.81 0.30 115.11 115.34 2jee h GLN 68 Ca 0.59 0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 58.95 2jee h GLN 68 Cb 1.80 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 29.23 2jee h GLN 68 CO -0.21 0.00 -2.08 0.39 0.00 0.00 0.00 178.83 176.93 2jee n GLU 69 N -2.96 0.46 -0.29 1.69 1.02 -0.49 -3.59 120.64 116.47 2jee n GLU 69 Ca -0.02 0.13 0.34 0.00 -0.02 0.00 0.00 57.16 57.60 2jee n GLU 69 Cb 0.34 -1.33 0.71 0.00 -0.02 0.00 0.00 31.44 31.14 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 -0.21 0.00 0.09 3.49 1.12 -1.20 1.41 114.38 119.08 2jee h ARG 70 Ca -0.45 0.00 -0.26 0.00 -1.11 0.00 0.00 59.98 58.17 2jee h ARG 70 Cb 1.59 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.55 2jee h ARG 70 CO -0.14 0.00 -1.16 1.25 -3.11 0.00 0.00 179.97 176.81 2jee h LEU 71 N 0.00 0.37 0.01 3.80 5.85 -0.57 -1.51 115.31 123.26 2jee h LEU 71 Ca 0.55 -0.38 -0.23 0.00 0.84 0.00 0.00 57.88 58.66 2jee h LEU 71 Cb 2.42 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 43.30 2jee h LEU 71 CO -0.01 1.28 -1.13 -0.61 -0.34 0.00 0.00 178.44 177.63 2jee h GLN 72 N 0.08 0.02 0.91 1.25 4.15 0.37 -2.24 115.11 119.64 2jee h GLN 72 Ca -0.11 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.24 2jee h GLN 72 Cb 1.88 0.01 0.01 0.00 0.21 0.00 0.00 27.48 29.59 2jee h GLN 72 CO 0.19 0.94 -0.44 0.00 -1.93 0.00 0.00 178.83 177.59 2jee h ALA 73 N 0.97 -1.28 -1.36 3.38 0.00 0.14 -2.68 119.26 118.44 2jee h ALA 73 Ca -0.06 -0.27 0.41 0.00 0.00 0.00 0.00 54.91 55.00 2jee h ALA 73 Cb 1.82 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 19.98 2jee h ALA 73 CO 0.13 -1.19 0.92 -0.07 0.00 0.00 0.00 179.25 179.03 2jee h LEU 74 N -1.26 0.19 0.18 0.00 3.38 -1.25 -1.37 115.31 115.18 2jee h LEU 74 Ca -0.12 0.08 -0.30 0.00 0.09 0.00 0.00 57.88 57.62 2jee h LEU 74 Cb 0.93 0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.76 2jee h LEU 74 CO 0.20 -0.07 -1.35 -0.07 0.09 0.00 0.00 178.44 177.25 2jee h LEU 75 N 0.11 0.60 -0.21 1.67 3.38 -1.31 -2.99 115.31 116.57 2jee h LEU 75 Ca 0.76 -0.64 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2jee h LEU 75 Cb 2.54 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 43.08 2jee h LEU 75 CO -0.25 1.50 0.10 1.23 0.09 0.00 0.00 178.44 181.12 2jee h GLY 76 N 1.01 0.32 0.46 0.83 0.00 -0.91 -1.29 103.07 103.48 2jee h GLY 76 Ca -0.19 -0.16 0.17 0.00 0.00 0.00 0.00 47.33 47.16 2jee h GLY 76 CO 0.23 0.15 0.57 -0.09 0.00 0.00 0.00 176.54 177.40 2jee h ARG 77 N 0.22 0.52 0.00 4.80 2.43 -1.59 -1.92 114.38 118.83 2jee h ARG 77 Ca 0.07 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 2jee h ARG 77 Cb 0.11 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2jee h ARG 77 CO -0.01 0.34 -0.38 1.98 -1.51 0.00 0.00 179.97 180.39 2jee h MET 78 N 0.54 0.00 -0.07 0.20 4.05 -1.28 -3.27 114.93 115.10 2jee h MET 78 Ca 0.45 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.87 2jee h MET 78 Cb 0.91 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.71 2jee h MET 78 CO -0.19 0.38 0.00 0.39 0.23 0.00 0.00 176.91 177.73 2jee n GLU 79 N -3.28 1.86 0.00 0.39 1.02 -0.53 -4.81 120.64 115.28 2jee n GLU 79 Ca 0.02 -1.25 0.00 0.00 -0.02 0.00 0.00 57.16 55.90 2jee n GLU 79 Cb 0.63 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 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 0.51 0.00 0.00 3.49 1.02 -1.00 -5.08 120.64 119.58 2jee n GLU 80 Ca 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 2jee n GLU 80 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 2jee n GLU 80 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59