#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 4.52 0.00 6.12 1.04 -1.26 -4.82 113.70 119.30 2jee s SER 4 Ca 0.00 2.05 0.00 0.00 0.48 0.00 0.00 55.95 58.48 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 -2.03 0.49 -0.11 0.98 0.00 0.00 173.24 172.57 2jee n LEU 5 N -2.96 0.00 -0.12 2.42 0.00 -1.26 -2.48 117.00 112.60 2jee n LEU 5 Ca 0.11 0.05 -0.24 0.00 0.00 0.00 0.00 56.01 55.92 2jee n LEU 5 Cb 0.52 -0.05 -0.09 0.00 0.00 0.00 0.00 43.42 43.80 2jee n LEU 5 CO 0.49 -0.05 -1.13 1.21 0.00 0.00 0.00 177.39 177.92 2jee n GLU 6 N -0.99 0.57 0.09 1.96 0.00 -1.26 -3.38 120.64 117.63 2jee n GLU 6 Ca 0.00 0.32 -0.12 0.00 0.00 0.00 0.00 57.16 57.36 2jee n GLU 6 Cb 0.01 -1.53 -0.05 0.00 0.00 0.00 0.00 31.44 29.86 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 0.56 -0.48 6.31 2.07 -1.85 -3.09 116.25 118.77 2jee h VAL 7 Ca -0.50 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.10 2jee h VAL 7 Cb 1.42 0.56 -0.10 0.00 -1.52 0.00 0.00 31.29 31.65 2jee h VAL 7 CO -0.31 0.00 -0.35 0.15 0.02 0.00 0.00 177.57 177.08 2jee h PHE 8 N -0.35 -0.99 0.00 1.57 3.57 -1.69 -2.61 116.94 116.44 2jee h PHE 8 Ca 0.03 0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 2jee h PHE 8 Cb 0.38 0.50 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 2jee h PHE 8 CO -0.20 -0.39 -0.34 0.93 -2.23 0.00 0.00 178.31 176.08 2jee h GLU 9 N -0.23 0.00 0.00 1.11 5.08 -1.59 -0.03 114.58 118.93 2jee h GLU 9 Ca 0.19 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2jee h GLU 9 Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2jee h GLU 9 CO -0.61 0.34 -0.10 -0.22 -1.00 0.00 0.00 179.01 177.42 2jee h LYS 10 N 0.00 0.00 0.00 2.33 3.64 -1.42 -3.05 116.57 118.07 2jee h LYS 10 Ca -0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2jee h LYS 10 Cb 0.86 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 2jee h LYS 10 CO 0.04 0.10 -0.52 -0.07 -2.27 0.00 0.00 179.45 176.73 2jee h LEU 11 N 0.00 0.00 -1.99 5.20 3.38 -0.90 -3.28 115.31 117.72 2jee h LEU 11 Ca -0.00 -0.44 0.32 0.00 0.09 0.00 0.00 57.88 57.85 2jee h LEU 11 Cb 0.81 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 2jee h LEU 11 CO 0.01 1.02 0.80 -0.08 0.09 0.00 0.00 178.44 180.28 2jee h GLU 12 N -1.00 0.00 0.00 1.13 4.81 -1.15 0.79 114.58 119.15 2jee h GLU 12 Ca -0.12 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.89 2jee h GLU 12 Cb 0.81 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 2jee h GLU 12 CO -0.07 0.00 -1.14 0.00 -0.73 0.00 0.00 179.01 177.07 2jee h ALA 13 N 1.44 0.45 0.00 2.92 0.00 -1.69 -2.92 119.26 119.46 2jee h ALA 13 Ca 0.52 -1.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 2jee h ALA 13 Cb 2.11 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.86 2jee h ALA 13 CO -0.01 1.31 -0.78 0.87 0.00 0.00 0.00 179.25 180.65 2jee h LYS 14 N 0.00 0.00 -0.12 0.00 1.57 -0.95 -3.10 116.57 113.97 2jee h LYS 14 Ca -0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2jee h LYS 14 Cb 1.81 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.12 2jee h LYS 14 CO 0.12 0.78 0.02 0.28 -0.57 0.00 0.00 179.45 180.08 2jee h VAL 15 N 0.00 1.21 -0.68 0.50 2.07 -1.24 -1.17 116.25 116.94 2jee h VAL 15 Ca -0.01 -0.65 0.07 0.00 0.82 0.00 0.00 66.70 66.93 2jee h VAL 15 Cb 1.41 1.41 -0.10 0.00 -1.52 0.00 0.00 31.29 32.49 2jee h VAL 15 CO 0.10 0.19 -0.54 -0.61 0.02 0.00 0.00 177.57 176.73 2jee h GLN 16 N -0.01 -0.17 -0.57 1.57 5.75 -1.56 0.15 115.11 120.27 2jee h GLN 16 Ca 0.04 0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.51 2jee h GLN 16 Cb 0.27 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 2jee h GLN 16 CO 0.00 -0.11 0.19 0.37 -2.65 0.00 0.00 178.83 176.63 2jee h GLN 17 N -0.17 0.85 -0.27 1.69 4.15 -1.41 0.66 115.11 120.60 2jee h GLN 17 Ca 0.11 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 2jee h GLN 17 Cb 0.46 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 2jee h GLN 17 CO -0.73 0.72 0.16 0.00 -1.93 0.00 0.00 178.83 177.05 2jee h ALA 18 N 1.38 0.34 0.00 3.38 0.00 -0.93 -3.03 119.26 120.41 2jee h ALA 18 Ca 0.19 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2jee h ALA 18 Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2jee h ALA 18 CO -0.01 -0.16 -0.18 0.82 0.00 0.00 0.00 179.25 179.72 2jee h ILE 19 N 0.34 0.87 0.00 0.00 2.04 0.13 -2.28 117.51 118.61 2jee h ILE 19 Ca 0.10 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.28 2jee h ILE 19 Cb 0.01 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2jee h ILE 19 CO -0.02 0.17 0.00 0.47 0.00 0.00 0.00 178.15 178.78 2jee n ASP 20 N -3.95 0.00 0.00 1.72 10.43 0.21 -2.39 116.55 122.57 2jee n ASP 20 Ca -0.02 -0.32 0.00 0.00 2.57 0.00 0.00 54.79 57.02 2jee n ASP 20 Cb 0.27 -0.11 0.00 0.00 1.84 0.00 0.00 41.12 43.12 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 -1.11 0.00 -0.20 -3.53 -1.04 -0.96 -2.78 114.28 104.66 2jee n THR 21 Ca 0.11 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.07 2jee n THR 21 Cb 0.09 -0.40 -0.05 0.00 -1.82 0.00 0.00 70.33 68.15 2jee n THR 21 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2jee n ILE 22 N -2.14 -0.32 0.00 12.58 2.08 -0.90 -0.63 119.36 130.04 2jee n ILE 22 Ca 0.00 1.14 0.00 0.00 0.56 0.00 0.00 62.75 64.45 2jee n ILE 22 Cb 0.22 -1.41 0.00 0.00 -0.75 0.00 0.00 39.64 37.70 2jee n ILE 22 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2jee n THR 23 N -4.59 0.00 0.00 1.39 -1.04 -1.01 -0.66 114.28 108.37 2jee n THR 23 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2jee n THR 23 Cb 0.12 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 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 -0.24 -4.42 7.94 -1.12 0.37 117.00 119.53 2jee n LEU 24 Ca 0.00 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.93 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 0.78 -0.07 -1.11 0.00 0.00 177.39 176.99 2jee h LEU 25 N 0.00 -0.46 -1.57 -1.96 3.38 -0.96 0.15 115.31 113.89 2jee h LEU 25 Ca 0.00 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2jee h LEU 25 Cb 0.00 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2jee h LEU 25 CO 0.00 -0.19 0.11 -0.61 0.09 0.00 0.00 178.44 177.84 2jee h GLN 26 N 0.06 0.39 0.35 1.13 5.75 0.91 0.99 115.11 124.68 2jee h GLN 26 Ca 0.37 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.81 2jee h GLN 26 Cb 0.61 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.08 2jee h GLN 26 CO -0.66 0.33 -0.17 0.52 -2.65 0.00 0.00 178.83 176.20 2jee h MET 27 N 0.39 -0.46 -0.97 1.69 2.86 -0.43 -1.60 114.93 116.41 2jee h MET 27 Ca 0.10 0.03 0.20 0.00 -2.06 0.00 0.00 59.70 57.97 2jee h MET 27 Cb 0.09 0.10 -0.09 0.00 0.06 0.00 0.00 31.60 31.76 2jee h MET 27 CO -0.01 -0.22 0.62 0.93 1.06 0.00 0.00 176.91 179.28 2jee h GLU 28 N -0.62 0.57 0.68 1.72 5.08 -0.20 -0.48 114.58 121.33 2jee h GLU 28 Ca -0.05 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2jee h GLU 28 Cb 0.45 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2jee h GLU 28 CO 0.08 0.38 -0.43 0.82 -1.00 0.00 0.00 179.01 178.86 2jee h ILE 29 N 0.59 0.14 -1.01 3.13 1.08 -0.76 -2.65 117.51 118.03 2jee h ILE 29 Ca 0.54 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 65.23 2jee h ILE 29 Cb 1.07 0.14 -0.11 0.00 -3.07 0.00 0.00 36.82 34.84 2jee h ILE 29 CO -0.29 0.00 0.61 -0.08 -0.69 0.00 0.00 178.15 177.70 2jee h GLU 30 N -1.05 0.60 -0.29 2.37 4.57 -0.22 0.66 114.58 121.22 2jee h GLU 30 Ca -0.09 -0.04 -0.11 0.00 -1.18 0.00 0.00 59.36 57.95 2jee h GLU 30 Cb 0.85 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 2jee h GLU 30 CO 0.08 0.40 -0.26 0.93 -1.18 0.00 0.00 179.01 178.98 2jee h GLU 31 N 0.62 0.58 0.09 1.92 5.08 -1.03 -2.91 114.58 118.93 2jee h GLU 31 Ca 0.61 -0.23 -0.27 0.00 -1.00 0.00 0.00 59.36 58.47 2jee h GLU 31 Cb 1.14 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 30.38 2jee h GLU 31 CO -0.41 0.79 -1.17 -0.07 -1.00 0.00 0.00 179.01 177.15 2jee h LEU 32 N 0.51 0.65 -2.16 1.33 3.38 -0.70 0.13 115.31 118.46 2jee h LEU 32 Ca 0.07 -0.60 0.05 0.00 0.09 0.00 0.00 57.88 57.49 2jee h LEU 32 Cb 0.71 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2jee h LEU 32 CO 0.05 1.43 0.29 0.50 0.09 0.00 0.00 178.44 180.80 2jee h LYS 33 N 0.20 0.00 0.00 1.13 3.64 -0.94 -0.41 116.57 120.20 2jee h LYS 33 Ca -0.14 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 58.86 2jee h LYS 33 Cb 1.84 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.60 2jee h LYS 33 CO 0.21 0.00 -2.36 -1.91 -2.27 0.00 0.00 179.45 173.12 2jee n GLU 34 N -3.49 0.56 0.28 1.90 2.13 -1.10 -3.04 120.64 117.88 2jee n GLU 34 Ca 0.02 0.18 0.12 0.00 0.66 0.00 0.00 57.16 58.14 2jee n GLU 34 Cb 0.40 -1.44 0.79 0.00 0.27 0.00 0.00 31.44 31.47 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 -0.37 0.00 0.18 5.31 1.63 -0.55 -0.35 116.57 122.41 2jee h LYS 35 Ca -0.57 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 58.91 2jee h LYS 35 Cb 1.70 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 33.35 2jee h LYS 35 CO -0.21 0.04 -1.52 -0.97 -3.45 0.00 0.00 179.45 173.35 2jee h ASN 36 N 0.00 0.59 0.24 4.20 -1.24 -1.24 -2.92 115.58 115.22 2jee h ASN 36 Ca -0.00 -0.73 -0.04 0.00 0.71 0.00 0.00 56.30 56.24 2jee h ASN 36 Cb 0.09 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 2jee h ASN 36 CO 0.01 1.59 -0.21 -1.13 -1.29 0.00 0.00 177.43 176.39 2jee h ASN 37 N 0.10 0.00 -0.29 1.15 -1.24 -1.33 0.60 115.58 114.58 2jee h ASN 37 Ca -0.25 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.67 2jee h ASN 37 Cb 2.08 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 41.12 2jee h ASN 37 CO 0.21 0.21 -0.15 -1.28 -1.29 0.00 0.00 177.43 175.13 2jee h SER 38 N 0.00 0.64 0.56 1.15 0.87 -1.14 -2.46 113.55 113.17 2jee h SER 38 Ca -0.00 -0.42 -0.15 0.00 -1.23 0.00 0.00 61.79 59.99 2jee h SER 38 Cb 0.39 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 2jee h SER 38 CO 0.03 0.91 -0.69 -0.07 -0.53 0.00 0.00 176.83 176.48 2jee h LEU 39 N 0.36 0.13 -0.21 2.23 3.38 -1.25 -1.97 115.31 117.98 2jee h LEU 39 Ca 0.06 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2jee h LEU 39 Cb 0.68 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2jee h LEU 39 CO 0.05 0.78 0.04 -1.28 0.09 0.00 0.00 178.44 178.11 2jee h SER 40 N 0.07 0.01 -0.80 -0.43 0.87 -0.92 -1.27 113.55 111.08 2jee h SER 40 Ca -0.01 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2jee h SER 40 Cb 1.22 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 63.18 2jee h SER 40 CO 0.10 0.03 0.53 -0.61 -0.53 0.00 0.00 176.83 176.35 2jee h GLN 41 N 0.12 1.02 -0.21 2.24 5.75 -1.16 -2.39 115.11 120.48 2jee h GLN 41 Ca 0.09 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 2jee h GLN 41 Cb 0.09 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 2jee h GLN 41 CO -0.13 0.67 -0.04 1.49 -2.65 0.00 0.00 178.83 178.18 2jee h GLU 42 N 1.05 0.40 0.00 1.69 4.81 -1.13 -2.71 114.58 118.69 2jee h GLU 42 Ca 0.30 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2jee h GLU 42 Cb -0.06 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.29 2jee h GLU 42 CO -0.08 0.63 0.00 0.28 -0.73 0.00 0.00 179.01 179.11 2jee n VAL 43 N -4.63 1.59 -0.04 0.32 0.31 -0.50 -1.12 118.33 114.27 2jee n VAL 43 Ca -0.04 0.40 -0.18 0.00 -0.01 0.00 0.00 64.34 64.51 2jee n VAL 43 Cb 0.27 -1.30 -0.14 0.00 -0.91 0.00 0.00 33.84 31.76 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 -1.50 0.71 0.18 5.55 7.27 -0.93 -3.14 117.38 125.52 2jee n GLN 44 Ca 0.01 0.22 0.07 0.00 0.07 0.00 0.00 57.00 57.38 2jee n GLN 44 Cb 0.07 -1.66 0.20 0.00 2.41 0.00 0.00 30.24 31.25 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 0.30 1.69 4.21 -1.12 -0.88 115.58 119.83 2jee h ASN 45 Ca -0.45 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 56.86 2jee h ASN 45 Cb 2.02 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 39.22 2jee h ASN 45 CO 0.04 0.30 -0.81 0.00 -1.29 0.00 0.00 177.43 175.67 2jee h ALA 46 N 1.70 0.51 0.05 -0.83 0.00 -1.28 -2.45 119.26 116.95 2jee h ALA 46 Ca -0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 54.91 54.15 2jee h ALA 46 Cb 1.09 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.85 2jee h ALA 46 CO 0.04 0.79 -0.45 0.37 0.00 0.00 0.00 179.25 180.00 2jee h GLN 47 N 0.25 0.22 0.00 0.00 5.75 -1.48 -0.73 115.11 119.12 2jee h GLN 47 Ca -0.05 -0.30 -0.00 0.00 -0.15 0.00 0.00 58.65 58.15 2jee h GLN 47 Cb 1.41 0.10 -0.00 0.00 1.07 0.00 0.00 27.48 30.06 2jee h GLN 47 CO 0.14 1.08 -0.00 1.25 -2.65 0.00 0.00 178.83 178.64 2jee h HIS 48 N -0.49 0.00 0.11 3.99 2.76 -1.27 -1.41 115.15 118.84 2jee h HIS 48 Ca -0.07 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 57.74 2jee h HIS 48 Cb 1.27 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.21 2jee h HIS 48 CO 0.20 0.00 -1.96 0.94 -1.30 0.00 0.00 177.93 175.82 2jee n GLN 49 N -3.13 0.75 -0.18 5.26 7.27 -0.92 -3.88 117.38 122.55 2jee n GLN 49 Ca -0.02 0.27 -0.10 0.00 0.07 0.00 0.00 57.00 57.22 2jee n GLN 49 Cb 0.13 -1.72 0.01 0.00 2.41 0.00 0.00 30.24 31.06 2jee n GLN 49 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 2jee h ARG 50 N 0.07 0.88 0.00 3.69 2.43 -0.66 -1.91 114.38 118.87 2jee h ARG 50 Ca -0.41 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.49 2jee h ARG 50 Cb 2.04 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.50 2jee h ARG 50 CO 0.09 0.90 0.00 -1.91 -1.51 0.00 0.00 179.97 177.54 2jee n GLU 51 N -4.33 0.34 -0.00 0.20 2.13 -0.57 -2.32 120.64 116.08 2jee n GLU 51 Ca 0.01 0.09 0.04 0.00 0.66 0.00 0.00 57.16 57.96 2jee n GLU 51 Cb 0.30 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.47 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 -1.20 3.37 -0.04 5.31 2.13 -0.81 -4.10 120.64 125.29 2jee n GLU 52 Ca 0.10 -0.02 -0.01 0.00 0.66 0.00 0.00 57.16 57.89 2jee n GLU 52 Cb 0.12 -0.95 -0.00 0.00 0.27 0.00 0.00 31.44 30.88 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 -0.95 4.31 3.38 -0.96 -3.13 115.31 117.96 2jee h LEU 53 Ca 0.00 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.25 2jee h LEU 53 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2jee h LEU 53 CO 0.00 0.45 0.90 -0.62 0.09 0.00 0.00 178.44 179.27 2jee n GLU 54 N -4.29 0.01 -0.03 1.13 1.02 -1.02 0.15 120.64 117.60 2jee n GLU 54 Ca -0.01 0.72 -0.21 0.00 -0.02 0.00 0.00 57.16 57.64 2jee n GLU 54 Cb 0.04 -1.76 -0.13 0.00 -0.02 0.00 0.00 31.44 29.57 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 0.15 -0.74 3.49 2.43 -1.71 -3.09 114.38 114.91 2jee h ARG 55 Ca 0.45 -0.26 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 2jee h ARG 55 Cb 2.25 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 31.87 2jee h ARG 55 CO -0.00 1.12 0.26 1.49 -1.51 0.00 0.00 179.97 181.33 2jee h GLU 56 N -0.52 1.13 -0.04 0.20 4.57 -0.54 -1.39 114.58 117.99 2jee h GLU 56 Ca -0.32 -0.22 0.03 0.00 -1.18 0.00 0.00 59.36 57.68 2jee h GLU 56 Cb 1.60 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.98 2jee h GLU 56 CO -0.03 0.94 -0.21 -0.97 -1.18 0.00 0.00 179.01 177.56 2jee h ASN 57 N 1.09 -0.64 -0.94 1.04 -0.73 -0.45 -1.40 115.58 113.55 2jee h ASN 57 Ca 0.24 0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.51 2jee h ASN 57 Cb 0.26 0.27 -0.05 0.00 0.27 0.00 0.00 38.32 39.08 2jee h ASN 57 CO -0.01 -0.28 0.58 0.78 -0.37 0.00 0.00 177.43 178.13 2jee h ASN 58 N -0.32 1.13 -0.95 1.15 -0.26 -1.47 -1.17 115.58 113.68 2jee h ASN 58 Ca 0.07 -0.06 0.06 0.00 -0.56 0.00 0.00 56.30 55.81 2jee h ASN 58 Cb 0.42 -0.28 -0.06 0.00 -1.06 0.00 0.00 38.32 37.33 2jee h ASN 58 CO -0.22 0.85 0.61 -0.74 -1.06 0.00 0.00 177.43 176.88 2jee h HIS 59 N 1.30 1.11 0.22 1.19 2.76 -0.76 -2.52 115.15 118.46 2jee h HIS 59 Ca 0.34 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.53 2jee h HIS 59 Cb -0.07 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 28.52 2jee h HIS 59 CO 0.00 0.59 -0.11 -0.07 -1.30 0.00 0.00 177.93 177.05 2jee h LEU 60 N 1.10 -0.25 -1.30 0.26 3.38 -0.85 -2.02 115.31 115.63 2jee h LEU 60 Ca 0.40 -0.09 0.41 0.00 0.09 0.00 0.00 57.88 58.69 2jee h LEU 60 Cb 0.16 0.07 -0.14 0.00 0.09 0.00 0.00 40.66 40.84 2jee h LEU 60 CO -0.15 0.24 0.76 0.50 0.09 0.00 0.00 178.44 179.89 2jee h LYS 61 N -1.05 0.12 0.29 1.13 1.63 -1.27 0.97 116.57 118.38 2jee h LYS 61 Ca -0.03 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 2jee h LYS 61 Cb 0.33 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 2jee h LYS 61 CO 0.05 0.08 -0.14 1.49 -3.45 0.00 0.00 179.45 177.48 2jee h GLU 62 N 0.12 -0.37 -0.02 1.90 4.81 -1.53 -1.47 114.58 118.03 2jee h GLU 62 Ca 0.80 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 60.06 2jee h GLU 62 Cb 2.36 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 31.82 2jee h GLU 62 CO -0.48 -0.03 0.02 0.37 -0.73 0.00 0.00 179.01 178.16 2jee h GLN 63 N -0.86 0.00 0.20 1.92 4.15 0.94 0.19 115.11 121.65 2jee h GLN 63 Ca -0.04 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.04 2jee h GLN 63 Cb 0.52 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.22 2jee h GLN 63 CO 0.06 0.00 -1.61 0.37 -1.93 0.00 0.00 178.83 175.72 2jee h GLN 64 N 0.00 0.42 0.00 1.69 4.15 0.62 -2.52 115.11 119.47 2jee h GLN 64 Ca 0.01 -0.72 -0.01 0.00 0.77 0.00 0.00 58.65 58.70 2jee h GLN 64 Cb 0.05 0.27 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 2jee h GLN 64 CO -0.00 1.33 -0.05 -0.91 -1.93 0.00 0.00 178.83 177.27 2jee h ASN 65 N 0.11 0.00 0.00 -0.69 -0.26 -0.64 0.21 115.58 114.32 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 2.11 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.37 2jee h ASN 65 CO 0.21 0.05 0.00 0.61 -1.06 0.00 0.00 177.43 177.24 2jee n GLY 66 N -1.16 -3.08 0.41 2.83 0.00 0.62 -3.52 105.19 101.29 2jee n GLY 66 Ca -0.03 0.26 0.21 0.00 0.00 0.00 0.00 46.02 46.46 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 0.54 0.00 1.61 4.06 -1.27 -1.38 115.95 119.50 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 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 28.00 2jee h TRP 67 CO -0.04 0.12 0.21 0.37 -3.56 0.00 0.00 178.44 175.53 2jee h GLN 68 N 0.38 0.00 0.00 0.49 5.75 -0.62 0.41 115.11 121.52 2jee h GLN 68 Ca 0.50 0.00 -0.42 0.00 -0.15 0.00 0.00 58.65 58.58 2jee h GLN 68 Cb 1.29 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.78 2jee h GLN 68 CO -0.19 0.00 -2.43 0.39 -2.65 0.00 0.00 178.83 173.95 2jee n GLU 69 N -2.80 0.56 -0.01 1.69 1.02 -0.56 -3.63 120.64 116.91 2jee n GLU 69 Ca -0.02 0.22 0.23 0.00 -0.02 0.00 0.00 57.16 57.56 2jee n GLU 69 Cb 0.26 -1.43 0.60 0.00 -0.02 0.00 0.00 31.44 30.85 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 -0.70 0.00 0.08 3.49 1.12 -0.98 1.36 114.38 118.75 2jee h ARG 70 Ca -0.63 0.00 -0.26 0.00 -1.11 0.00 0.00 59.98 57.99 2jee h ARG 70 Cb 1.64 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 31.60 2jee h ARG 70 CO -0.32 0.00 -1.12 1.25 -3.11 0.00 0.00 179.97 176.67 2jee h LEU 71 N 0.00 0.50 0.12 3.80 5.85 -0.37 -2.27 115.31 122.94 2jee h LEU 71 Ca 0.30 -0.47 -0.28 0.00 0.84 0.00 0.00 57.88 58.28 2jee h LEU 71 Cb 1.86 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.73 2jee h LEU 71 CO -0.00 1.32 -1.29 -0.61 -0.34 0.00 0.00 178.44 177.51 2jee h GLN 72 N 0.15 0.25 0.42 1.25 4.15 0.13 -2.26 115.11 119.21 2jee h GLN 72 Ca -0.12 -0.43 -0.01 0.00 0.77 0.00 0.00 58.65 58.86 2jee h GLN 72 Cb 1.80 0.16 -0.02 0.00 0.21 0.00 0.00 27.48 29.63 2jee h GLN 72 CO 0.19 1.18 -0.41 0.00 -1.93 0.00 0.00 178.83 177.86 2jee h ALA 73 N 0.59 -1.08 -1.35 3.38 0.00 0.28 -2.54 119.26 118.54 2jee h ALA 73 Ca -0.15 -0.16 0.40 0.00 0.00 0.00 0.00 54.91 55.00 2jee h ALA 73 Cb 1.97 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 20.31 2jee h ALA 73 CO 0.19 -1.11 0.92 -0.07 0.00 0.00 0.00 179.25 179.19 2jee h LEU 74 N -0.82 0.18 0.22 0.00 3.38 -1.39 -1.69 115.31 115.19 2jee h LEU 74 Ca -0.05 0.07 -0.33 0.00 0.09 0.00 0.00 57.88 57.65 2jee h LEU 74 Cb 0.71 0.05 0.03 0.00 0.09 0.00 0.00 40.66 41.53 2jee h LEU 74 CO -0.04 -0.05 -1.52 -0.07 0.09 0.00 0.00 178.44 176.85 2jee h LEU 75 N 0.11 0.73 -0.50 1.67 3.38 -1.29 -3.01 115.31 116.40 2jee h LEU 75 Ca 0.73 -0.84 0.01 0.00 0.09 0.00 0.00 57.88 57.87 2jee h LEU 75 Cb 2.50 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.98 2jee h LEU 75 CO -0.21 1.67 0.32 1.23 0.09 0.00 0.00 178.44 181.54 2jee h GLY 76 N 0.52 0.71 1.56 0.83 0.00 -0.89 -0.69 103.07 105.11 2jee h GLY 76 Ca -0.26 -0.24 0.05 0.00 0.00 0.00 0.00 47.33 46.88 2jee h GLY 76 CO 0.24 0.22 0.18 -0.09 0.00 0.00 0.00 176.54 177.10 2jee h ARG 77 N 0.64 0.13 0.00 4.80 2.43 -1.53 -2.51 114.38 118.34 2jee h ARG 77 Ca 0.19 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.20 2jee h ARG 77 Cb -0.03 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2jee h ARG 77 CO -0.07 0.08 -0.80 1.98 -1.51 0.00 0.00 179.97 179.66 2jee h MET 78 N 0.13 0.00 -0.07 0.20 4.05 -1.16 -3.29 114.93 114.79 2jee h MET 78 Ca 0.12 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 2jee h MET 78 Cb 0.31 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 2jee h MET 78 CO -0.02 0.66 0.00 0.39 0.23 0.00 0.00 176.91 178.18 2jee n GLU 79 N -3.24 1.69 0.00 0.39 1.02 -0.36 -4.81 120.64 115.34 2jee n GLU 79 Ca -0.00 -1.01 0.00 0.00 -0.02 0.00 0.00 57.16 56.12 2jee n GLU 79 Cb 0.83 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 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 0.23 0.00 0.00 3.49 1.02 -1.09 -5.08 120.64 119.22 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 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 2jee n GLU 80 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59