#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpt n SER 2 N 0.00 0.00 0.21 1.61 2.88 -1.26 -5.03 113.62 112.04 2jpt n SER 2 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 2jpt n SER 2 Cb 0.00 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 63.93 2jpt n SER 2 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2jpt h GLU 3 N 0.00 0.00 -0.02 -1.46 4.39 -2.06 -3.00 114.58 112.42 2jpt h GLU 3 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2jpt h GLU 3 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2jpt h GLU 3 CO 0.00 0.28 -0.21 -0.07 -1.16 0.00 0.00 179.01 177.85 2jpt h LEU 4 N 0.00 0.23 -1.20 1.33 -0.00 -2.00 -3.10 115.31 110.57 2jpt h LEU 4 Ca -0.00 -0.70 0.14 0.00 -0.00 0.00 0.00 57.88 57.31 2jpt h LEU 4 Cb 0.68 -0.07 -0.08 0.00 -0.00 0.00 0.00 40.66 41.20 2jpt h LEU 4 CO 0.04 0.90 0.59 -0.33 -0.00 0.00 0.00 178.44 179.64 2jpt h GLU 5 N -0.42 0.75 -0.82 1.13 5.08 -1.96 0.17 114.58 118.50 2jpt h GLU 5 Ca -0.02 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2jpt h GLU 5 Cb 0.91 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 2jpt h GLU 5 CO 0.04 0.50 0.49 1.15 -1.00 0.00 0.00 179.01 180.18 2jpt h THR 6 N 0.77 1.23 -0.16 1.13 2.02 -1.54 -2.40 112.91 113.97 2jpt h THR 6 Ca 0.47 -0.52 -0.18 0.00 0.77 0.00 0.00 66.41 66.96 2jpt h THR 6 Cb 0.68 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 2jpt h THR 6 CO -0.23 0.24 -0.63 0.00 0.37 0.00 0.00 175.52 175.27 2jpt h ALA 7 N 1.26 0.60 -0.80 6.16 0.00 -0.86 -2.80 119.26 122.83 2jpt h ALA 7 Ca 0.29 -0.55 0.13 0.00 0.00 0.00 0.00 54.91 54.78 2jpt h ALA 7 Cb -0.03 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.61 2jpt h ALA 7 CO -0.05 0.71 0.40 0.52 0.00 0.00 0.00 179.25 180.83 2jpt h MET 8 N 0.41 0.60 -0.21 0.00 2.07 -0.29 -1.08 114.93 116.43 2jpt h MET 8 Ca -0.01 -0.04 -0.20 0.00 -2.07 0.00 0.00 59.70 57.39 2jpt h MET 8 Cb 1.20 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 30.80 2jpt h MET 8 CO 0.12 0.40 -0.65 0.93 1.07 0.00 0.00 176.91 178.77 2jpt h GLU 9 N 0.62 0.76 -0.66 1.72 5.08 -1.45 -2.56 114.58 118.10 2jpt h GLU 9 Ca 0.42 -0.54 0.10 0.00 -1.00 0.00 0.00 59.36 58.34 2jpt h GLU 9 Cb 0.54 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.80 2jpt h GLU 9 CO -0.33 1.16 0.27 1.15 -1.00 0.00 0.00 179.01 180.27 2jpt h THR 10 N 0.55 0.78 -0.10 1.13 2.02 -0.95 0.91 112.91 117.25 2jpt h THR 10 Ca -0.02 -0.16 -0.16 0.00 0.77 0.00 0.00 66.41 66.84 2jpt h THR 10 Cb 1.25 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2jpt h THR 10 CO 0.13 0.09 -0.64 -0.07 0.37 0.00 0.00 175.52 175.40 2jpt h LEU 11 N 0.47 0.41 -0.31 2.58 3.38 -1.33 -2.58 115.31 117.93 2jpt h LEU 11 Ca 0.33 -0.24 -0.20 0.00 0.09 0.00 0.00 57.88 57.86 2jpt h LEU 11 Cb 0.41 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2jpt h LEU 11 CO -0.31 0.94 -0.81 0.40 0.09 0.00 0.00 178.44 178.76 2jpt h ILE 12 N 0.26 1.38 0.46 1.22 2.04 -0.79 -2.92 117.51 119.15 2jpt h ILE 12 Ca -0.01 -2.24 -0.02 0.00 1.00 0.00 0.00 64.86 63.58 2jpt h ILE 12 Cb 1.17 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 2jpt h ILE 12 CO 0.11 0.67 -0.22 0.78 0.00 0.00 0.00 178.15 179.49 2jpt h ASN 13 N 0.27 -0.52 -0.95 1.72 2.35 0.82 0.17 115.58 119.45 2jpt h ASN 13 Ca -0.05 -0.09 0.15 0.00 -0.55 0.00 0.00 56.30 55.77 2jpt h ASN 13 Cb 1.41 0.13 -0.10 0.00 0.05 0.00 0.00 38.32 39.82 2jpt h ASN 13 CO 0.14 -0.13 0.56 1.62 -1.65 0.00 0.00 177.43 177.97 2jpt h VAL 14 N -1.00 0.78 -0.37 2.81 3.04 -1.58 -0.31 116.25 119.61 2jpt h VAL 14 Ca -0.06 -0.27 -0.13 0.00 -1.01 0.00 0.00 66.70 65.23 2jpt h VAL 14 Cb 0.57 -0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 29.77 2jpt h VAL 14 CO 0.10 0.14 -0.29 0.15 -1.01 0.00 0.00 177.57 176.67 2jpt h PHE 15 N 0.78 1.01 0.00 3.17 3.57 -1.51 -2.81 116.94 121.15 2jpt h PHE 15 Ca 0.51 -0.28 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 2jpt h PHE 15 Cb 0.69 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 2jpt h PHE 15 CO -0.03 1.07 -0.05 1.25 -2.23 0.00 0.00 178.31 178.32 2jpt h HIS 16 N 0.66 0.00 -0.99 0.41 2.76 0.65 -2.04 115.15 116.60 2jpt h HIS 16 Ca 0.07 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.33 2jpt h HIS 16 Cb 0.86 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.75 2jpt h HIS 16 CO 0.06 0.05 0.64 0.00 -1.30 0.00 0.00 177.93 177.38 2jpt h ALA 17 N 1.95 1.47 -3.00 5.26 0.00 -0.90 -3.36 119.26 120.68 2jpt h ALA 17 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jpt h ALA 17 Cb 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2jpt h ALA 17 CO 0.01 0.34 0.00 0.72 0.00 0.00 0.00 179.25 180.31 2jpt n HIS 18 N -4.55 0.00 -4.81 0.00 -0.00 -0.77 -4.98 115.22 100.12 2jpt n HIS 18 Ca 0.17 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.59 2jpt n HIS 18 Cb 0.26 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.11 2jpt n HIS 18 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2jpt s SER 19 N -1.45 3.20 -0.21 0.41 1.04 -1.25 -5.04 113.70 110.39 2jpt s SER 19 Ca 0.00 -0.62 -0.05 0.00 0.48 0.00 0.00 55.95 55.76 2jpt s SER 19 Cb 0.00 -0.27 -0.11 0.00 0.10 0.00 0.00 66.02 65.73 2jpt s SER 19 CO 0.00 0.24 -0.23 0.61 0.98 0.00 0.00 173.24 174.84 2jpt n GLY 20 N 1.61 -0.32 2.30 7.32 0.00 -1.26 -4.57 105.19 110.27 2jpt n GLY 20 Ca -0.17 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 2jpt n GLY 20 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jpt n LYS 21 N -3.55 2.80 -0.90 1.61 4.81 -1.26 -5.00 118.16 116.68 2jpt n LYS 21 Ca -0.40 -3.40 -0.37 0.00 -0.87 0.00 0.00 58.31 53.27 2jpt n LYS 21 Cb 0.85 -2.29 -0.09 0.00 0.02 0.00 0.00 35.03 33.52 2jpt n LYS 21 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2jpt n GLU 22 N -0.89 0.00 -0.26 1.64 0.28 -1.26 -4.69 120.64 115.46 2jpt n GLU 22 Ca 0.61 0.00 0.30 0.00 -0.16 0.00 0.00 57.16 57.91 2jpt n GLU 22 Cb 0.69 -1.01 0.69 0.00 1.43 0.00 0.00 31.44 33.24 2jpt n GLU 22 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2jpt h GLY 23 N 6.71 0.22 -4.93 -1.84 0.00 -2.00 -3.39 103.07 97.85 2jpt h GLY 23 Ca -0.06 -0.04 -0.68 0.00 0.00 0.00 0.00 47.33 46.56 2jpt h GLY 23 CO 0.80 -0.02 -0.69 0.51 0.00 0.00 0.00 176.54 177.14 2jpt s ASP 24 N -5.38 4.72 0.74 0.19 1.47 -1.26 -5.08 116.67 112.06 2jpt s ASP 24 Ca -0.06 -0.07 -0.14 0.00 1.18 0.00 0.00 52.55 53.46 2jpt s ASP 24 Cb 0.23 -1.16 -0.13 0.00 -0.34 0.00 0.00 42.92 41.52 2jpt s ASP 24 CO 0.79 0.32 -0.55 0.29 0.68 0.00 0.00 175.17 176.70 2jpt n LYS 25 N 1.80 0.00 -1.53 2.11 5.02 -1.26 -4.49 118.16 119.81 2jpt n LYS 25 Ca -0.16 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.73 2jpt n LYS 25 Cb 0.53 -0.84 -0.06 0.00 -0.02 0.00 0.00 35.03 34.64 2jpt n LYS 25 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 2jpt n TYR 26 N -1.90 1.29 -3.81 2.13 4.11 -1.26 -4.89 117.16 112.82 2jpt n TYR 26 Ca 0.00 0.19 -0.14 0.00 -0.00 0.00 0.00 57.90 57.95 2jpt n TYR 26 Cb 0.45 -2.57 -0.15 0.00 -0.00 0.00 0.00 39.34 37.07 2jpt n TYR 26 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 2jpt s LYS 27 N 8.02 -0.00 -0.05 -3.48 1.02 -1.25 -4.49 119.74 119.51 2jpt s LYS 27 Ca 1.09 0.14 0.00 0.00 0.02 0.00 0.00 55.97 57.22 2jpt s LYS 27 Cb -0.54 -0.13 0.02 0.00 -0.52 0.00 0.00 37.83 36.66 2jpt s LYS 27 CO 0.35 -0.10 -0.02 -0.51 -0.92 0.00 0.00 175.35 174.15 2jpt s LEU 28 N 0.63 1.11 0.85 3.17 1.43 -0.94 -5.02 118.68 119.91 2jpt s LEU 28 Ca -0.05 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 2jpt s LEU 28 Cb -0.07 -0.40 0.10 0.00 0.03 0.00 0.00 46.19 45.85 2jpt s LEU 28 CO -0.02 -0.10 1.09 -0.94 0.23 0.00 0.00 176.35 176.61 2jpt s SER 29 N 1.19 3.85 0.25 2.29 1.04 -1.26 -0.40 113.70 120.66 2jpt s SER 29 Ca -0.07 1.65 -0.03 0.00 0.48 0.00 0.00 55.95 57.98 2jpt s SER 29 Cb -0.14 -2.33 0.50 0.00 0.10 0.00 0.00 66.02 64.15 2jpt s SER 29 CO -0.02 -2.43 1.72 0.07 0.98 0.00 0.00 173.24 173.57 2jpt h LYS 30 N -1.40 0.41 -0.06 4.02 2.10 -1.80 -1.24 116.57 118.60 2jpt h LYS 30 Ca -0.47 -0.02 0.01 0.00 -2.00 0.00 0.00 60.65 58.17 2jpt h LYS 30 Cb 1.26 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.49 2jpt h LYS 30 CO 0.53 0.27 -0.02 0.87 -2.00 0.00 0.00 179.45 179.10 2jpt h LYS 31 N 0.43 -0.01 -0.35 0.07 1.57 -1.91 0.15 116.57 116.53 2jpt h LYS 31 Ca 0.44 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.29 2jpt h LYS 31 Cb 0.70 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.92 2jpt h LYS 31 CO -0.43 -0.00 -0.39 0.93 -0.57 0.00 0.00 179.45 178.99 2jpt h GLU 32 N -0.01 -0.32 0.25 3.15 4.39 -1.58 1.64 114.58 122.11 2jpt h GLU 32 Ca 0.03 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2jpt h GLU 32 Cb 0.05 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2jpt h GLU 32 CO -0.07 -0.21 -0.12 1.25 -1.16 0.00 0.00 179.01 178.70 2jpt h LEU 33 N -0.33 -0.29 -0.28 1.33 6.46 -1.30 0.68 115.31 121.57 2jpt h LEU 33 Ca 0.14 -0.03 0.04 0.00 -0.12 0.00 0.00 57.88 57.91 2jpt h LEU 33 Cb 0.57 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.54 2jpt h LEU 33 CO -0.52 -0.16 0.04 0.50 -0.62 0.00 0.00 178.44 177.68 2jpt h LYS 34 N -0.39 0.14 -0.15 1.25 3.64 -0.35 -1.74 116.57 118.96 2jpt h LYS 34 Ca -0.03 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 2jpt h LYS 34 Cb 0.30 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2jpt h LYS 34 CO 0.06 0.09 -0.25 0.93 -2.27 0.00 0.00 179.45 178.01 2jpt h GLU 35 N 0.14 0.28 -0.15 1.90 4.39 0.25 -2.91 114.58 118.49 2jpt h GLU 35 Ca 0.13 -0.09 0.04 0.00 0.34 0.00 0.00 59.36 59.78 2jpt h GLU 35 Cb 0.15 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.71 2jpt h GLU 35 CO -0.19 0.52 -0.44 1.25 -1.16 0.00 0.00 179.01 178.99 2jpt h LEU 36 N 0.25 -1.37 0.34 1.33 6.46 0.13 0.85 115.31 123.30 2jpt h LEU 36 Ca 0.04 0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 57.96 2jpt h LEU 36 Cb 0.58 0.56 0.00 0.00 -0.73 0.00 0.00 40.66 41.07 2jpt h LEU 36 CO 0.04 -0.43 -0.16 -0.07 -0.62 0.00 0.00 178.44 177.20 2jpt h LEU 37 N -0.49 -0.38 -0.64 2.25 4.07 -1.55 -2.31 115.31 116.26 2jpt h LEU 37 Ca 0.08 -0.17 0.14 0.00 0.08 0.00 0.00 57.88 58.00 2jpt h LEU 37 Cb 0.63 0.10 -0.11 0.00 1.08 0.00 0.00 40.66 42.36 2jpt h LEU 37 CO -0.42 0.04 -0.04 1.56 -1.08 0.00 0.00 178.44 178.51 2jpt h GLN 38 N -0.91 0.08 0.00 1.13 4.20 -1.40 1.91 115.11 120.12 2jpt h GLN 38 Ca -0.05 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2jpt h GLN 38 Cb 0.53 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 2jpt h GLN 38 CO 0.08 0.05 -0.07 1.79 -0.67 0.00 0.00 178.83 180.00 2jpt h THR 39 N 0.08 1.04 0.00 -0.54 1.35 0.69 3.50 112.91 119.03 2jpt h THR 39 Ca 0.33 -0.26 -0.04 0.00 -0.55 0.00 0.00 66.41 65.89 2jpt h THR 39 Cb 0.54 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 2jpt h THR 39 CO -0.58 0.07 -0.25 -0.33 -0.25 0.00 0.00 175.52 174.18 2jpt h GLU 40 N 0.00 0.00 -0.39 4.72 3.07 0.15 -3.38 114.58 118.75 2jpt h GLU 40 Ca -0.00 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.68 2jpt h GLU 40 Cb 0.13 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 27.94 2jpt h GLU 40 CO 0.01 0.86 -0.00 1.47 -1.40 0.00 0.00 179.01 179.94 2jpt n LEU 41 N -4.60 4.32 -0.27 1.33 -0.00 0.57 -4.74 117.00 113.61 2jpt n LEU 41 Ca -0.13 -3.64 0.06 0.00 -0.00 0.00 0.00 56.01 52.30 2jpt n LEU 41 Cb 0.46 -0.64 0.17 0.00 -0.00 0.00 0.00 43.42 43.41 2jpt n LEU 41 CO 0.27 1.14 0.82 0.77 -0.00 0.00 0.00 177.39 180.39 2jpt h SER 42 N 1.14 -0.36 0.34 1.45 4.64 0.65 1.51 113.55 122.92 2jpt h SER 42 Ca 0.22 0.20 -0.25 0.00 -0.47 0.00 0.00 61.79 61.49 2jpt h SER 42 Cb 1.73 0.36 0.01 0.00 -0.31 0.00 0.00 62.40 64.19 2jpt h SER 42 CO 0.43 -0.19 -1.08 1.23 -0.87 0.00 0.00 176.83 176.34 2jpt h GLY 43 N 0.10 0.49 0.30 -0.77 0.00 -1.85 -3.31 103.07 98.03 2jpt h GLY 43 Ca 0.43 -0.97 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 2jpt h GLY 43 CO -0.69 0.86 -0.08 -2.75 0.00 0.00 0.00 176.54 173.88 2jpt h PHE 44 N 0.21 -0.21 0.00 5.60 3.04 -1.34 -3.15 116.94 121.09 2jpt h PHE 44 Ca -0.12 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.83 2jpt h PHE 44 Cb 1.75 0.07 0.00 0.00 2.56 0.00 0.00 35.95 40.33 2jpt h PHE 44 CO 0.07 0.18 0.32 1.47 -2.02 0.00 0.00 178.31 178.33 2jpt n LEU 45 N -4.92 0.18 0.13 0.59 -0.00 0.50 -0.21 117.00 113.26 2jpt n LEU 45 Ca -0.07 0.41 0.17 0.00 -0.00 0.00 0.00 56.01 56.52 2jpt n LEU 45 Cb 0.24 -0.36 0.74 0.00 -0.00 0.00 0.00 43.42 44.04 2jpt n LEU 45 CO 0.22 -0.47 1.15 -0.78 -0.00 0.00 0.00 177.39 177.51 2jpt h ASP 46 N 0.00 0.00 0.69 1.45 3.58 -1.64 0.13 116.42 120.64 2jpt h ASP 46 Ca 0.00 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.19 2jpt h ASP 46 Cb 0.63 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.66 2jpt h ASP 46 CO 0.00 0.00 -1.34 0.00 -2.88 0.00 0.00 179.24 175.02 2jpt h ALA 47 N 1.77 0.39 0.00 -0.78 0.00 -0.82 -3.27 119.26 116.55 2jpt h ALA 47 Ca 0.14 -1.09 -0.04 0.00 0.00 0.00 0.00 54.91 53.93 2jpt h ALA 47 Cb 0.64 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2jpt h ALA 47 CO -0.00 1.26 -0.17 1.96 0.00 0.00 0.00 179.25 182.30 2jpt h GLN 48 N 0.03 0.00 -1.46 0.00 4.20 -0.90 -2.87 115.11 114.10 2jpt h GLN 48 Ca -0.15 0.00 0.44 0.00 0.06 0.00 0.00 58.65 59.00 2jpt h GLN 48 Cb 1.92 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 29.61 2jpt h GLN 48 CO 0.14 0.17 1.02 0.87 -0.67 0.00 0.00 178.83 180.35 2jpt h LYS 49 N 0.00 0.06 -0.55 1.46 1.79 -1.40 1.43 116.57 119.37 2jpt h LYS 49 Ca -0.00 -0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.52 2jpt h LYS 49 Cb 0.46 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.06 2jpt h LYS 49 CO 0.02 0.04 0.37 0.22 -1.08 0.00 0.00 179.45 179.02 2jpt h ASP 50 N 0.06 0.47 -3.36 0.86 3.58 -1.75 -3.40 116.42 112.88 2jpt h ASP 50 Ca 0.76 -0.00 -0.57 0.00 0.42 0.00 0.00 57.03 57.64 2jpt h ASP 50 Cb 2.76 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 43.64 2jpt h ASP 50 CO -0.16 0.31 0.16 0.00 -2.88 0.00 0.00 179.24 176.67 2jpt s ALA 51 N -5.49 3.43 0.07 -0.78 0.00 0.49 -4.93 121.76 114.56 2jpt s ALA 51 Ca -0.08 0.00 0.33 0.00 0.00 0.00 0.00 51.96 52.21 2jpt s ALA 51 Cb 0.19 -3.02 1.32 0.00 0.00 0.00 0.00 23.12 21.61 2jpt s ALA 51 CO 0.75 -0.34 1.97 0.38 0.00 0.00 0.00 175.76 178.51 2jpt h ASP 52 N 7.07 0.00 -0.82 0.00 2.03 -1.82 -2.98 116.42 119.91 2jpt h ASP 52 Ca -0.36 0.00 0.22 0.00 -0.73 0.00 0.00 57.03 56.16 2jpt h ASP 52 Cb 1.17 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.63 2jpt h ASP 52 CO 0.78 0.00 0.58 0.00 -1.03 0.00 0.00 179.24 179.56 2jpt h ALA 53 N 2.00 2.61 -0.81 4.15 0.00 -1.91 -0.17 119.26 125.12 2jpt h ALA 53 Ca -0.00 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.07 2jpt h ALA 53 Cb 0.54 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.25 2jpt h ALA 53 CO 0.00 -0.85 0.30 -0.39 0.00 0.00 0.00 179.25 178.31 2jpt h VAL 54 N 0.11 0.54 0.00 0.00 -1.51 -1.83 0.36 116.25 113.92 2jpt h VAL 54 Ca 0.40 -0.13 -0.12 0.00 -1.23 0.00 0.00 66.70 65.61 2jpt h VAL 54 Cb 1.42 0.13 -0.02 0.00 -2.13 0.00 0.00 31.29 30.69 2jpt h VAL 54 CO -0.05 0.07 -0.59 -0.78 -1.23 0.00 0.00 177.57 174.99 2jpt h ASP 55 N 0.38 0.00 -0.62 4.19 1.82 -1.27 -3.07 116.42 117.84 2jpt h ASP 55 Ca 0.47 0.00 0.10 0.00 -0.39 0.00 0.00 57.03 57.22 2jpt h ASP 55 Cb 0.82 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 40.75 2jpt h ASP 55 CO -0.49 0.59 0.21 0.50 -1.61 0.00 0.00 179.24 178.44 2jpt h LYS 56 N 0.00 0.36 -0.05 0.28 3.64 -0.21 -0.55 116.57 120.04 2jpt h LYS 56 Ca -0.01 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 2jpt h LYS 56 Cb 1.06 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 2jpt h LYS 56 CO 0.08 0.24 -0.66 -0.39 -2.27 0.00 0.00 179.45 176.45 2jpt h VAL 57 N 0.37 1.41 -0.05 2.00 -1.51 -1.47 -2.98 116.25 114.02 2jpt h VAL 57 Ca 0.32 -2.11 0.02 0.00 -1.23 0.00 0.00 66.70 63.69 2jpt h VAL 57 Cb 0.43 2.10 -0.00 0.00 -2.13 0.00 0.00 31.29 31.69 2jpt h VAL 57 CO -0.34 0.62 0.05 0.24 -1.23 0.00 0.00 177.57 176.91 2jpt h MET 58 N 0.16 0.00 -0.74 5.19 2.86 -1.04 -1.54 114.93 119.82 2jpt h MET 58 Ca -0.01 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.75 2jpt h MET 58 Cb 1.19 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.80 2jpt h MET 58 CO 0.10 0.00 0.49 -0.22 1.06 0.00 0.00 176.91 178.34 2jpt h LYS 59 N 0.00 0.52 0.51 1.72 3.64 -1.20 1.17 116.57 122.93 2jpt h LYS 59 Ca 0.03 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2jpt h LYS 59 Cb 0.12 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2jpt h LYS 59 CO -0.00 0.34 -0.24 0.93 -2.27 0.00 0.00 179.45 178.21 2jpt h GLU 60 N 0.53 -0.66 -0.67 1.90 5.08 -1.46 -2.17 114.58 117.13 2jpt h GLU 60 Ca 0.36 0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.70 2jpt h GLU 60 Cb 0.65 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 2jpt h GLU 60 CO -0.12 -0.44 0.17 1.37 -1.00 0.00 0.00 179.01 178.99 2jpt h LEU 61 N -0.87 1.02 -0.88 1.33 8.10 -1.60 -2.80 115.31 119.61 2jpt h LEU 61 Ca -0.07 -0.23 0.15 0.00 0.11 0.00 0.00 57.88 57.84 2jpt h LEU 61 Cb 0.52 -0.27 -0.09 0.00 -0.44 0.00 0.00 40.66 40.38 2jpt h LEU 61 CO 0.11 0.98 0.48 -0.78 -4.11 0.00 0.00 178.44 175.12 2jpt h ASP 62 N 1.00 0.60 -0.28 0.17 3.58 0.13 0.22 116.42 121.85 2jpt h ASP 62 Ca 0.21 0.09 0.04 0.00 0.42 0.00 0.00 57.03 57.79 2jpt h ASP 62 Cb 0.36 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 2jpt h ASP 62 CO 0.00 0.26 0.19 -0.08 -2.88 0.00 0.00 179.24 176.73 2jpt h GLU 63 N 0.68 0.21 -0.98 0.28 4.81 -1.10 0.09 114.58 118.56 2jpt h GLU 63 Ca 0.48 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.67 2jpt h GLU 63 Cb 0.65 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2jpt h GLU 63 CO -0.35 0.14 0.03 -0.25 -0.73 0.00 0.00 179.01 177.85 2jpt n ASP 64 N -4.49 2.20 -0.11 1.04 8.00 0.79 -4.59 116.55 119.39 2jpt n ASP 64 Ca 0.02 -2.11 0.02 0.00 0.71 0.00 0.00 54.79 53.43 2jpt n ASP 64 Cb 0.20 -0.52 0.04 0.00 -0.02 0.00 0.00 41.12 40.81 2jpt n ASP 64 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jpt n GLY 65 N 0.19 -0.50 0.10 0.44 0.00 0.01 0.25 105.19 105.69 2jpt n GLY 65 Ca 0.04 0.32 0.05 0.00 0.00 0.00 0.00 46.02 46.43 2jpt n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jpt n ASP 66 N -4.49 0.80 -3.36 1.61 2.03 -1.26 -4.92 116.55 106.96 2jpt n ASP 66 Ca 0.05 -0.90 -0.13 0.00 0.52 0.00 0.00 54.79 54.32 2jpt n ASP 66 Cb 0.15 0.78 0.07 0.00 -0.72 0.00 0.00 41.12 41.40 2jpt n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jpt n GLY 67 N 1.10 0.39 2.92 0.27 0.00 0.70 -5.01 105.19 105.57 2jpt n GLY 67 Ca 0.03 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 43.99 2jpt n GLY 67 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jpt s GLU 68 N -4.01 0.15 -0.03 1.61 -1.05 -1.26 -3.28 118.70 110.83 2jpt s GLU 68 Ca 0.38 -0.28 -0.14 0.00 -0.15 0.00 0.00 54.97 54.77 2jpt s GLU 68 Cb -0.02 0.05 -0.05 0.00 -0.44 0.00 0.00 34.13 33.67 2jpt s GLU 68 CO 0.25 -0.02 0.38 0.54 0.95 0.00 0.00 175.26 177.36 2jpt s VAL 69 N -0.68 5.09 0.00 1.83 0.11 0.47 -4.92 120.40 122.31 2jpt s VAL 69 Ca -0.07 0.78 0.00 0.00 -2.93 0.00 0.00 61.98 59.75 2jpt s VAL 69 Cb -0.05 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 31.12 2jpt s VAL 69 CO -0.00 0.56 0.00 -0.67 -3.33 0.00 0.00 175.10 171.65 2jpt n ASP 70 N 2.03 0.00 0.00 3.54 2.03 -1.26 -2.26 116.55 120.62 2jpt n ASP 70 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 2jpt n ASP 70 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 2jpt n ASP 70 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2jpt n PHE 71 N 0.00 -1.10 -0.07 -0.67 7.35 -1.26 -2.21 117.46 119.50 2jpt n PHE 71 Ca 0.00 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.83 2jpt n PHE 71 Cb 0.00 0.22 0.54 0.00 0.35 0.00 0.00 39.48 40.59 2jpt n PHE 71 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 2jpt h GLN 72 N 0.00 0.31 -0.33 -4.13 7.50 -1.94 -0.87 115.11 115.65 2jpt h GLN 72 Ca 0.00 -0.02 0.10 0.00 0.50 0.00 0.00 58.65 59.23 2jpt h GLN 72 Cb 0.00 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.45 2jpt h GLN 72 CO 0.00 0.20 0.66 0.93 -1.50 0.00 0.00 178.83 179.12 2jpt h GLU 73 N 0.31 0.00 0.00 1.46 5.08 -1.95 0.31 114.58 119.80 2jpt h GLU 73 Ca 0.28 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 2jpt h GLU 73 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2jpt h GLU 73 CO -0.07 0.00 -0.24 0.10 -1.00 0.00 0.00 179.01 177.81 2jpt h TYR 74 N 0.00 0.00 0.09 4.33 -0.00 -1.56 -3.23 116.97 116.59 2jpt h TYR 74 Ca 0.16 0.00 0.01 0.00 -0.00 0.00 0.00 58.73 58.90 2jpt h TYR 74 Cb 1.47 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 38.16 2jpt h TYR 74 CO 0.00 0.24 -0.53 -0.39 -0.00 0.00 0.00 178.16 177.48 2jpt h VAL 75 N 0.00 0.00 -0.87 -0.90 -1.51 -0.57 -1.17 116.25 111.22 2jpt h VAL 75 Ca -0.00 0.00 0.12 0.00 -1.23 0.00 0.00 66.70 65.59 2jpt h VAL 75 Cb 0.50 0.00 -0.07 0.00 -2.13 0.00 0.00 31.29 29.60 2jpt h VAL 75 CO 0.03 0.00 0.56 1.62 -1.23 0.00 0.00 177.57 178.55 2jpt h VAL 76 N -0.73 0.90 -0.97 7.19 3.04 -1.76 0.15 116.25 124.07 2jpt h VAL 76 Ca -0.00 -0.26 0.19 0.00 -1.01 0.00 0.00 66.70 65.62 2jpt h VAL 76 Cb 0.74 0.07 -0.09 0.00 -2.01 0.00 0.00 31.29 30.00 2jpt h VAL 76 CO -0.30 0.14 0.61 0.25 -1.01 0.00 0.00 177.57 177.26 2jpt h LEU 77 N 0.76 0.66 -0.97 3.16 5.85 -1.29 1.04 115.31 124.52 2jpt h LEU 77 Ca 0.42 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 59.11 2jpt h LEU 77 Cb 0.57 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2jpt h LEU 77 CO -0.19 0.25 -0.38 0.58 -0.34 0.00 0.00 178.44 178.36 2jpt h VAL 78 N 0.65 1.30 -0.33 1.05 2.07 -0.23 -3.02 116.25 117.75 2jpt h VAL 78 Ca 0.54 -1.45 -0.08 0.00 0.82 0.00 0.00 66.70 66.53 2jpt h VAL 78 Cb 0.98 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 2jpt h VAL 78 CO -0.30 0.44 -0.11 0.00 0.02 0.00 0.00 177.57 177.61 2jpt h ALA 79 N 1.39 0.46 -0.82 1.67 0.00 0.13 -0.32 119.26 121.77 2jpt h ALA 79 Ca 0.02 -0.31 0.17 0.00 0.00 0.00 0.00 54.91 54.79 2jpt h ALA 79 Cb 0.78 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.35 2jpt h ALA 79 CO 0.06 0.33 0.35 0.00 0.00 0.00 0.00 179.25 179.99 2jpt h ALA 80 N 0.79 1.21 0.01 0.00 0.00 -0.74 0.23 119.26 120.77 2jpt h ALA 80 Ca 0.08 0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.92 2jpt h ALA 80 Cb 0.62 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2jpt h ALA 80 CO 0.04 -0.22 -0.88 1.25 0.00 0.00 0.00 179.25 179.44 2jpt h LEU 81 N 0.47 0.17 0.45 0.00 6.46 -1.53 -3.14 115.31 118.19 2jpt h LEU 81 Ca 0.47 -0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 58.08 2jpt h LEU 81 Cb 0.76 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.61 2jpt h LEU 81 CO -0.44 0.96 -0.48 0.74 -0.62 0.00 0.00 178.44 178.61 2jpt h THR 82 N 0.07 0.06 -0.96 1.05 2.02 0.12 -0.27 112.91 115.00 2jpt h THR 82 Ca -0.03 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.22 2jpt h THR 82 Cb 1.52 0.06 -0.07 0.00 -1.74 0.00 0.00 68.15 67.93 2jpt h THR 82 CO 0.13 0.00 0.62 1.62 0.37 0.00 0.00 175.52 178.26 2jpt h VAL 83 N -0.94 1.06 0.21 3.16 3.04 -1.34 0.49 116.25 121.94 2jpt h VAL 83 Ca -0.05 -0.38 0.01 0.00 -1.01 0.00 0.00 66.70 65.27 2jpt h VAL 83 Cb 0.83 -0.13 -0.02 0.00 -2.01 0.00 0.00 31.29 29.96 2jpt h VAL 83 CO -0.08 0.20 -0.23 0.00 -1.01 0.00 0.00 177.57 176.45 2jpt h ALA 84 N 1.49 -0.45 -0.72 3.17 0.00 -1.37 -0.08 119.26 121.30 2jpt h ALA 84 Ca 0.42 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 2jpt h ALA 84 Cb 0.21 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2jpt h ALA 84 CO -0.17 -0.78 0.26 0.00 0.00 0.00 0.00 179.25 178.56 2jpt h ASN 86 N 1.06 0.75 -0.53 0.00 -1.24 -0.48 -1.18 115.58 113.96 2jpt h ASN 86 Ca 0.24 0.00 0.09 0.00 0.71 0.00 0.00 56.30 57.34 2jpt h ASN 86 Cb 0.25 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.11 2jpt h ASN 86 CO -0.01 0.51 0.36 0.78 -1.29 0.00 0.00 177.43 177.77 2jpt h ASN 87 N 0.89 0.31 -0.55 1.15 -0.26 -0.67 -1.79 115.58 114.67 2jpt h ASN 87 Ca 0.31 0.00 0.10 0.00 -0.56 0.00 0.00 56.30 56.15 2jpt h ASN 87 Cb 0.06 -0.06 -0.08 0.00 -1.06 0.00 0.00 38.32 37.18 2jpt h ASN 87 CO -0.13 0.19 0.10 0.15 -1.06 0.00 0.00 177.43 176.69 2jpt h PHE 88 N 0.35 0.16 0.01 1.19 3.57 -1.14 -2.39 116.94 118.69 2jpt h PHE 88 Ca 0.24 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 2jpt h PHE 88 Cb 0.48 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.24 2jpt h PHE 88 CO -0.00 -0.03 -0.00 0.74 -2.23 0.00 0.00 178.31 176.79 2jpt h PHE 89 N 0.24 -0.01 -3.72 0.41 0.04 -1.39 -3.41 116.94 109.10 2jpt h PHE 89 Ca 0.28 -0.00 -0.67 0.00 2.80 0.00 0.00 57.97 60.38 2jpt h PHE 89 Cb 0.40 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 38.35 2jpt h PHE 89 CO -0.25 0.32 -0.53 -1.58 -0.60 0.00 0.00 178.31 175.68 2jpt s TRP 90 N -4.86 3.19 -0.06 -0.55 0.23 -0.90 -4.95 118.94 111.04 2jpt s TRP 90 Ca -0.15 -0.31 -0.06 0.00 -2.03 0.00 0.00 56.10 53.56 2jpt s TRP 90 Cb 0.03 -2.39 -0.28 0.00 0.03 0.00 0.00 33.47 30.86 2jpt s TRP 90 CO 0.67 -0.36 0.62 0.93 0.96 0.00 0.00 176.95 179.76 2jpt h GLU 91 N 8.39 0.28 -0.87 4.98 5.08 -1.80 -3.34 114.58 127.31 2jpt h GLU 91 Ca -0.33 -0.49 0.19 0.00 -1.00 0.00 0.00 59.36 57.73 2jpt h GLU 91 Cb 1.16 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.53 2jpt h GLU 91 CO 0.61 1.16 0.58 -2.95 -1.00 0.00 0.00 179.01 177.41 2jpt h ASN 92 N 0.08 0.40 -0.02 1.42 -1.07 -1.92 -3.52 115.58 110.95 2jpt h ASN 92 Ca -0.34 0.04 0.00 0.00 0.07 0.00 0.00 56.30 56.07 2jpt h ASN 92 Cb 2.05 -0.04 0.00 0.00 -2.07 0.00 0.00 38.32 38.26 2jpt h ASN 92 CO 0.14 0.17 0.00 -1.54 0.07 0.00 0.00 177.43 176.27