#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 -5.20 0.18 1.61 7.64 -1.26 -4.84 113.62 111.75 2jpt n SER 2 Ca 0.00 -0.03 0.05 0.00 1.01 0.00 0.00 58.87 59.90 2jpt n SER 2 Cb 0.00 -4.32 0.32 0.00 -1.01 0.00 0.00 64.21 59.20 2jpt n SER 2 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2jpt h GLU 3 N -0.33 0.00 -0.02 1.43 4.39 -2.06 -3.13 114.58 114.87 2jpt h GLU 3 Ca -0.44 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.21 2jpt h GLU 3 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 2jpt h GLU 3 CO 0.51 0.40 -0.18 -0.07 -1.16 0.00 0.00 179.01 178.50 2jpt h LEU 4 N 0.00 0.19 -1.66 1.33 -0.00 -2.00 -3.04 115.31 110.14 2jpt h LEU 4 Ca -0.00 -0.71 0.22 0.00 -0.00 0.00 0.00 57.88 57.38 2jpt h LEU 4 Cb 0.91 -0.06 -0.06 0.00 -0.00 0.00 0.00 40.66 41.46 2jpt h LEU 4 CO 0.05 0.88 0.61 -0.33 -0.00 0.00 0.00 178.44 179.65 2jpt h GLU 5 N -0.48 0.27 -0.38 1.13 5.08 -1.95 0.76 114.58 119.00 2jpt h GLU 5 Ca -0.02 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2jpt h GLU 5 Cb 0.89 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2jpt h GLU 5 CO 0.04 0.18 -0.00 1.15 -1.00 0.00 0.00 179.01 179.37 2jpt h THR 6 N 0.27 1.26 -0.15 1.13 2.02 -1.51 -2.78 112.91 113.16 2jpt h THR 6 Ca 0.46 -1.00 -0.18 0.00 0.77 0.00 0.00 66.41 66.46 2jpt h THR 6 Cb 1.35 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.91 2jpt h THR 6 CO -0.13 0.34 -0.64 0.00 0.37 0.00 0.00 175.52 175.45 2jpt h ALA 7 N 0.88 0.60 -0.86 6.16 0.00 -0.30 -2.87 119.26 122.86 2jpt h ALA 7 Ca 0.11 -0.56 0.15 0.00 0.00 0.00 0.00 54.91 54.61 2jpt h ALA 7 Cb 0.47 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 2jpt h ALA 7 CO 0.02 0.71 0.45 0.52 0.00 0.00 0.00 179.25 180.95 2jpt h MET 8 N 0.40 0.61 -0.18 0.00 2.07 0.48 -0.23 114.93 118.07 2jpt h MET 8 Ca -0.01 -0.04 -0.19 0.00 -2.07 0.00 0.00 59.70 57.39 2jpt h MET 8 Cb 1.21 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 30.81 2jpt h MET 8 CO 0.12 0.40 -0.66 0.93 1.07 0.00 0.00 176.91 178.77 2jpt h GLU 9 N 0.63 0.70 -0.66 1.72 5.08 -1.44 -2.54 114.58 118.06 2jpt h GLU 9 Ca 0.48 -0.50 0.10 0.00 -1.00 0.00 0.00 59.36 58.43 2jpt h GLU 9 Cb 0.69 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.95 2jpt h GLU 9 CO -0.37 1.12 0.29 1.15 -1.00 0.00 0.00 179.01 180.20 2jpt h THR 10 N 0.51 0.79 -0.16 1.13 2.02 -0.84 1.58 112.91 117.93 2jpt h THR 10 Ca -0.02 -0.17 -0.18 0.00 0.77 0.00 0.00 66.41 66.82 2jpt h THR 10 Cb 1.26 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 2jpt h THR 10 CO 0.13 0.09 -0.62 -0.07 0.37 0.00 0.00 175.52 175.42 2jpt h LEU 11 N 0.49 0.66 -0.40 2.58 3.38 -1.33 -1.86 115.31 118.83 2jpt h LEU 11 Ca 0.34 -0.38 -0.18 0.00 0.09 0.00 0.00 57.88 57.74 2jpt h LEU 11 Cb 0.40 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2jpt h LEU 11 CO -0.30 1.12 -0.77 0.40 0.09 0.00 0.00 178.44 178.98 2jpt h ILE 12 N 0.43 1.44 0.32 1.22 2.04 -0.82 -2.87 117.51 119.27 2jpt h ILE 12 Ca -0.01 -2.33 -0.02 0.00 1.00 0.00 0.00 64.86 63.50 2jpt h ILE 12 Cb 1.19 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 2jpt h ILE 12 CO 0.12 0.69 -0.16 0.78 0.00 0.00 0.00 178.15 179.58 2jpt h ASN 13 N 0.17 -0.37 -0.93 1.72 -0.26 0.23 -0.96 115.58 115.18 2jpt h ASN 13 Ca -0.03 -0.14 0.19 0.00 -0.56 0.00 0.00 56.30 55.75 2jpt h ASN 13 Cb 1.36 0.10 -0.08 0.00 -1.06 0.00 0.00 38.32 38.64 2jpt h ASN 13 CO 0.12 0.09 0.60 1.62 -1.06 0.00 0.00 177.43 178.81 2jpt h VAL 14 N -1.00 0.72 -0.20 2.81 3.04 -1.45 0.31 116.25 120.49 2jpt h VAL 14 Ca -0.04 -0.19 -0.16 0.00 -1.01 0.00 0.00 66.70 65.29 2jpt h VAL 14 Cb 0.49 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 29.88 2jpt h VAL 14 CO 0.07 0.10 -0.52 0.15 -1.01 0.00 0.00 177.57 176.37 2jpt h PHE 15 N 0.56 0.91 -0.70 3.17 3.57 -1.52 -3.13 116.94 119.80 2jpt h PHE 15 Ca 0.49 -0.35 0.03 0.00 3.53 0.00 0.00 57.97 61.67 2jpt h PHE 15 Cb 1.00 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 2jpt h PHE 15 CO -0.00 1.14 0.46 1.25 -2.23 0.00 0.00 178.31 178.93 2jpt h HIS 16 N 0.41 0.82 -0.74 0.41 2.76 0.45 -1.28 115.15 117.99 2jpt h HIS 16 Ca -0.01 0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.26 2jpt h HIS 16 Cb 1.13 -0.28 -0.05 0.00 1.55 0.00 0.00 27.41 29.77 2jpt h HIS 16 CO 0.09 0.49 0.48 0.00 -1.30 0.00 0.00 177.93 177.69 2jpt h ALA 17 N 1.59 1.76 -3.00 5.26 0.00 -1.13 -3.37 119.26 120.37 2jpt h ALA 17 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2jpt h ALA 17 Cb 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2jpt h ALA 17 CO -0.08 0.10 0.00 0.72 0.00 0.00 0.00 179.25 180.00 2jpt n HIS 18 N -4.49 0.00 -5.26 0.00 -0.00 -0.49 -4.98 115.22 100.00 2jpt n HIS 18 Ca 0.12 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.52 2jpt n HIS 18 Cb 0.28 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.11 2jpt n HIS 18 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2jpt s SER 19 N -1.28 3.04 -0.07 0.41 0.01 -1.20 -5.02 113.70 109.60 2jpt s SER 19 Ca 0.00 -0.50 -0.02 0.00 1.31 0.00 0.00 55.95 56.74 2jpt s SER 19 Cb 0.00 -0.79 -0.04 0.00 0.21 0.00 0.00 66.02 65.41 2jpt s SER 19 CO 0.00 0.25 -0.07 0.61 0.41 0.00 0.00 173.24 174.44 2jpt n GLY 20 N 2.90 -0.10 2.00 3.44 0.00 -1.26 -4.66 105.19 107.51 2jpt n GLY 20 Ca -0.17 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.01 2.04 -0.93 1.61 4.81 -1.26 -4.98 118.16 116.44 2jpt n LYS 21 Ca -0.13 -2.43 -0.37 0.00 -0.87 0.00 0.00 58.31 54.51 2jpt n LYS 21 Cb 0.61 -1.95 -0.09 0.00 0.02 0.00 0.00 35.03 33.62 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 -0.78 0.00 -0.19 1.64 0.28 -1.26 -4.68 120.64 115.65 2jpt n GLU 22 Ca 0.48 0.00 0.30 0.00 -0.16 0.00 0.00 57.16 57.78 2jpt n GLU 22 Cb 1.36 -1.04 0.72 0.00 1.43 0.00 0.00 31.44 33.92 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 6.96 0.00 -4.89 -1.84 0.00 -2.01 -3.38 103.07 97.91 2jpt h GLY 23 Ca -0.06 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.60 2jpt h GLY 23 CO 0.83 0.00 -0.69 -0.35 0.00 0.00 0.00 176.54 176.33 2jpt s ASP 24 N -5.27 4.74 0.94 0.19 -1.08 -1.26 -5.10 116.67 109.83 2jpt s ASP 24 Ca -0.05 -0.08 -0.20 0.00 -0.52 0.00 0.00 52.55 51.70 2jpt s ASP 24 Cb 0.21 -1.16 -0.06 0.00 -1.46 0.00 0.00 42.92 40.45 2jpt s ASP 24 CO 0.73 0.30 -0.76 0.29 0.52 0.00 0.00 175.17 176.25 2jpt n LYS 25 N 1.71 -0.61 -1.53 4.34 5.02 -1.26 -4.69 118.16 121.14 2jpt n LYS 25 Ca -0.16 -0.18 -0.50 0.00 -2.02 0.00 0.00 58.31 55.45 2jpt n LYS 25 Cb 0.53 -1.20 -0.04 0.00 -0.02 0.00 0.00 35.03 34.29 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 -3.72 0.83 -3.44 2.13 4.11 -1.26 -4.96 117.16 110.85 2jpt n TYR 26 Ca -0.00 0.80 0.02 0.00 -0.00 0.00 0.00 57.90 58.72 2jpt n TYR 26 Cb 0.56 -2.18 -0.05 0.00 -0.00 0.00 0.00 39.34 37.67 2jpt n TYR 26 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 2jpt s LYS 27 N -0.53 0.16 -0.11 -3.48 2.20 -1.26 -4.97 119.74 111.75 2jpt s LYS 27 Ca 0.73 0.34 -0.03 0.00 -0.36 0.00 0.00 55.97 56.64 2jpt s LYS 27 Cb -0.93 0.14 0.05 0.00 -1.51 0.00 0.00 37.83 35.58 2jpt s LYS 27 CO 0.54 -0.04 0.09 -0.51 -0.36 0.00 0.00 175.35 175.07 2jpt s LEU 28 N 1.74 0.20 0.92 5.43 1.43 -0.99 -5.01 118.68 122.41 2jpt s LEU 28 Ca -0.04 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 2jpt s LEU 28 Cb -0.03 -0.14 0.14 0.00 0.03 0.00 0.00 46.19 46.20 2jpt s LEU 28 CO -0.14 -0.30 1.10 -0.55 0.23 0.00 0.00 176.35 176.69 2jpt s SER 29 N 2.17 3.28 0.21 2.29 0.15 -1.26 0.85 113.70 121.39 2jpt s SER 29 Ca 0.04 1.31 -0.10 0.00 0.70 0.00 0.00 55.95 57.89 2jpt s SER 29 Cb -0.14 -1.98 0.30 0.00 -1.71 0.00 0.00 66.02 62.49 2jpt s SER 29 CO -0.06 -2.74 1.68 0.07 1.20 0.00 0.00 173.24 173.39 2jpt h LYS 30 N -1.62 0.17 -0.17 5.44 2.10 -1.70 -1.63 116.57 119.16 2jpt h LYS 30 Ca -0.51 -0.01 0.04 0.00 -2.00 0.00 0.00 60.65 58.17 2jpt h LYS 30 Cb 1.30 -0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 32.56 2jpt h LYS 30 CO 0.57 0.11 -0.07 0.87 -2.00 0.00 0.00 179.45 178.93 2jpt h LYS 31 N 0.18 -0.04 -0.31 0.07 1.57 -1.91 0.98 116.57 117.11 2jpt h LYS 31 Ca 0.32 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.17 2jpt h LYS 31 Cb 0.51 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.75 2jpt h LYS 31 CO -0.47 -0.03 -0.39 0.93 -0.57 0.00 0.00 179.45 178.92 2jpt h GLU 32 N -0.04 -0.34 0.40 3.15 5.08 -1.65 0.78 114.58 121.96 2jpt h GLU 32 Ca 0.09 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2jpt h GLU 32 Cb 0.17 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2jpt h GLU 32 CO -0.20 -0.23 -0.19 1.25 -1.00 0.00 0.00 179.01 178.64 2jpt h LEU 33 N -0.36 -0.46 -0.60 1.33 6.46 -1.30 0.65 115.31 121.04 2jpt h LEU 33 Ca 0.13 -0.12 0.12 0.00 -0.12 0.00 0.00 57.88 57.89 2jpt h LEU 33 Cb 0.58 0.12 -0.10 0.00 -0.73 0.00 0.00 40.66 40.53 2jpt h LEU 33 CO -0.50 -0.06 0.02 0.50 -0.62 0.00 0.00 178.44 177.77 2jpt h LYS 34 N -0.93 0.13 -0.11 1.25 3.64 -0.66 0.95 116.57 120.85 2jpt h LYS 34 Ca -0.06 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 2jpt h LYS 34 Cb 0.55 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2jpt h LYS 34 CO 0.09 0.09 -0.35 0.93 -2.27 0.00 0.00 179.45 177.94 2jpt h GLU 35 N 0.13 0.22 -0.18 1.90 4.39 0.56 -2.90 114.58 118.71 2jpt h GLU 35 Ca 0.31 -0.09 0.04 0.00 0.34 0.00 0.00 59.36 59.97 2jpt h GLU 35 Cb 0.50 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.07 2jpt h GLU 35 CO -0.50 0.55 -0.45 1.25 -1.16 0.00 0.00 179.01 178.70 2jpt h LEU 36 N 0.19 -1.42 0.10 1.33 6.46 0.16 0.49 115.31 122.62 2jpt h LEU 36 Ca 0.02 0.19 -0.00 0.00 -0.12 0.00 0.00 57.88 57.97 2jpt h LEU 36 Cb 0.71 0.58 0.00 0.00 -0.73 0.00 0.00 40.66 41.22 2jpt h LEU 36 CO 0.05 -0.43 -0.05 -0.07 -0.62 0.00 0.00 178.44 177.33 2jpt h LEU 37 N -0.49 -0.11 -0.77 2.25 4.07 -1.58 -2.71 115.31 115.98 2jpt h LEU 37 Ca 0.08 -0.46 0.18 0.00 0.08 0.00 0.00 57.88 57.75 2jpt h LEU 37 Cb 0.63 0.03 -0.12 0.00 1.08 0.00 0.00 40.66 42.29 2jpt h LEU 37 CO -0.44 0.47 0.20 1.56 -1.08 0.00 0.00 178.44 179.16 2jpt h GLN 38 N -0.75 0.27 0.00 1.13 4.20 -1.41 1.72 115.11 120.26 2jpt h GLN 38 Ca -0.01 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 2jpt h GLN 38 Cb 0.57 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 2jpt h GLN 38 CO 0.02 0.18 -0.21 1.79 -0.67 0.00 0.00 178.83 179.94 2jpt h THR 39 N 0.28 1.07 0.00 -0.54 1.35 -0.07 3.24 112.91 118.24 2jpt h THR 39 Ca 0.45 -0.74 -0.03 0.00 -0.55 0.00 0.00 66.41 65.54 2jpt h THR 39 Cb 0.79 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2jpt h THR 39 CO -0.53 0.21 -0.17 -0.33 -0.25 0.00 0.00 175.52 174.44 2jpt h GLU 40 N 0.00 0.00 -0.47 4.72 3.07 0.16 -3.37 114.58 118.70 2jpt h GLU 40 Ca -0.00 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.65 2jpt h GLU 40 Cb 0.39 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.17 2jpt h GLU 40 CO 0.03 0.86 0.07 1.47 -1.40 0.00 0.00 179.01 180.04 2jpt n LEU 41 N -4.61 4.64 -0.25 1.33 -0.00 0.49 -4.72 117.00 113.87 2jpt n LEU 41 Ca -0.12 -3.60 0.05 0.00 -0.00 0.00 0.00 56.01 52.34 2jpt n LEU 41 Cb 0.44 -0.66 0.16 0.00 -0.00 0.00 0.00 43.42 43.36 2jpt n LEU 41 CO 0.28 1.11 0.84 -1.28 -0.00 0.00 0.00 177.39 178.33 2jpt h SER 42 N 1.22 -0.30 0.38 1.45 0.87 0.59 1.19 113.55 118.94 2jpt h SER 42 Ca 0.26 0.19 -0.25 0.00 -1.23 0.00 0.00 61.79 60.76 2jpt h SER 42 Cb 1.87 0.32 0.01 0.00 -0.44 0.00 0.00 62.40 64.16 2jpt h SER 42 CO 0.50 -0.16 -1.07 1.23 -0.53 0.00 0.00 176.83 176.81 2jpt h GLY 43 N 0.12 0.46 0.35 5.77 0.00 -1.85 -3.31 103.07 104.61 2jpt h GLY 43 Ca 0.41 -0.91 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 2jpt h GLY 43 CO -0.64 0.80 -0.12 -2.75 0.00 0.00 0.00 176.54 173.83 2jpt h PHE 44 N 0.20 -0.31 0.00 5.60 3.04 -1.41 -3.12 116.94 120.94 2jpt h PHE 44 Ca -0.11 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.83 2jpt h PHE 44 Cb 1.73 0.10 0.00 0.00 2.56 0.00 0.00 35.95 40.34 2jpt h PHE 44 CO 0.07 0.01 0.31 1.47 -2.02 0.00 0.00 178.31 178.15 2jpt n LEU 45 N -4.99 0.16 0.11 0.59 -0.00 0.39 -0.19 117.00 113.07 2jpt n LEU 45 Ca -0.07 0.40 0.16 0.00 -0.00 0.00 0.00 56.01 56.50 2jpt n LEU 45 Cb 0.23 -0.35 0.69 0.00 -0.00 0.00 0.00 43.42 43.99 2jpt n LEU 45 CO 0.20 -0.45 1.14 -0.78 -0.00 0.00 0.00 177.39 177.50 2jpt h ASP 46 N 0.00 0.00 0.65 1.45 1.82 -1.63 0.19 116.42 118.91 2jpt h ASP 46 Ca 0.00 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.39 2jpt h ASP 46 Cb 0.62 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.63 2jpt h ASP 46 CO 0.00 0.00 -1.15 0.00 -1.61 0.00 0.00 179.24 176.48 2jpt h ALA 47 N 1.82 0.20 0.00 -0.78 0.00 -0.80 -3.27 119.26 116.44 2jpt h ALA 47 Ca 0.15 -0.86 -0.15 0.00 0.00 0.00 0.00 54.91 54.05 2jpt h ALA 47 Cb 0.61 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2jpt h ALA 47 CO -0.00 0.99 -0.70 1.96 0.00 0.00 0.00 179.25 181.50 2jpt h GLN 48 N 0.08 0.00 -1.28 0.00 4.20 -1.03 -3.21 115.11 113.88 2jpt h GLN 48 Ca -0.10 0.00 0.40 0.00 0.06 0.00 0.00 58.65 59.00 2jpt h GLN 48 Cb 1.86 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 29.53 2jpt h GLN 48 CO 0.18 0.70 0.84 0.87 -0.67 0.00 0.00 178.83 180.75 2jpt h LYS 49 N 0.00 0.14 0.00 1.46 1.79 -0.78 1.99 116.57 121.17 2jpt h LYS 49 Ca -0.01 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2jpt h LYS 49 Cb 1.29 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.91 2jpt h LYS 49 CO 0.09 0.09 -0.00 0.22 -1.08 0.00 0.00 179.45 178.77 2jpt h ASP 50 N 0.15 0.00 -3.34 0.86 1.82 -1.74 -3.40 116.42 110.76 2jpt h ASP 50 Ca 0.76 0.00 -0.57 0.00 -0.39 0.00 0.00 57.03 56.83 2jpt h ASP 50 Cb 2.36 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 42.31 2jpt h ASP 50 CO -0.35 0.00 -0.02 0.00 -1.61 0.00 0.00 179.24 177.27 2jpt s ALA 51 N -5.03 3.42 0.05 -0.78 0.00 0.67 -4.95 121.76 115.15 2jpt s ALA 51 Ca -0.05 -0.00 0.33 0.00 0.00 0.00 0.00 51.96 52.24 2jpt s ALA 51 Cb 0.17 -2.80 1.30 0.00 0.00 0.00 0.00 23.12 21.79 2jpt s ALA 51 CO 0.66 -0.01 1.96 0.22 0.00 0.00 0.00 175.76 178.59 2jpt h ASP 52 N 6.50 0.00 -0.85 0.00 3.58 -1.81 -3.01 116.42 120.84 2jpt h ASP 52 Ca -0.42 0.00 0.22 0.00 0.42 0.00 0.00 57.03 57.25 2jpt h ASP 52 Cb 1.19 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.20 2jpt h ASP 52 CO 0.74 0.00 0.59 0.00 -2.88 0.00 0.00 179.24 177.69 2jpt h ALA 53 N 2.01 2.55 -0.68 -0.78 0.00 -1.92 0.64 119.26 121.09 2jpt h ALA 53 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2jpt h ALA 53 Cb 0.54 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2jpt h ALA 53 CO 0.00 -0.81 0.36 -0.39 0.00 0.00 0.00 179.25 178.42 2jpt h VAL 54 N 0.16 0.92 0.00 0.00 -1.51 -1.81 -0.28 116.25 113.73 2jpt h VAL 54 Ca 0.42 -0.22 -0.06 0.00 -1.23 0.00 0.00 66.70 65.60 2jpt h VAL 54 Cb 1.40 0.22 -0.01 0.00 -2.13 0.00 0.00 31.29 30.77 2jpt h VAL 54 CO -0.07 0.12 -0.31 -0.78 -1.23 0.00 0.00 177.57 175.30 2jpt h ASP 55 N 0.65 0.00 -0.62 4.19 3.58 -1.10 -3.02 116.42 120.10 2jpt h ASP 55 Ca 0.32 0.00 0.13 0.00 0.42 0.00 0.00 57.03 57.89 2jpt h ASP 55 Cb 0.25 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.20 2jpt h ASP 55 CO -0.21 0.31 0.03 0.50 -2.88 0.00 0.00 179.24 176.98 2jpt h LYS 56 N 0.00 0.14 -0.03 0.28 3.64 -0.88 -0.23 116.57 119.49 2jpt h LYS 56 Ca -0.00 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 2jpt h LYS 56 Cb 0.56 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2jpt h LYS 56 CO 0.04 0.09 -0.77 -0.39 -2.27 0.00 0.00 179.45 176.15 2jpt h VAL 57 N 0.14 1.45 -0.37 2.00 -1.51 -1.54 -3.07 116.25 113.35 2jpt h VAL 57 Ca 0.33 -2.37 0.11 0.00 -1.23 0.00 0.00 66.70 63.54 2jpt h VAL 57 Cb 0.53 2.28 -0.01 0.00 -2.13 0.00 0.00 31.29 31.96 2jpt h VAL 57 CO -0.51 0.69 0.31 0.24 -1.23 0.00 0.00 177.57 177.07 2jpt h MET 58 N 0.14 0.00 -0.71 5.19 2.86 -0.98 0.47 114.93 121.89 2jpt h MET 58 Ca -0.03 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.81 2jpt h MET 58 Cb 1.35 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.98 2jpt h MET 58 CO 0.12 0.00 0.51 -0.22 1.06 0.00 0.00 176.91 178.37 2jpt h LYS 59 N 0.00 0.08 0.45 1.72 3.64 -1.31 1.58 116.57 122.72 2jpt h LYS 59 Ca 0.17 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2jpt h LYS 59 Cb 0.80 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2jpt h LYS 59 CO -0.00 0.05 -0.21 0.93 -2.27 0.00 0.00 179.45 177.95 2jpt h GLU 60 N 0.08 -0.58 -0.39 1.90 5.08 -1.11 -1.05 114.58 118.52 2jpt h GLU 60 Ca 0.34 0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.61 2jpt h GLU 60 Cb 1.25 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 2jpt h GLU 60 CO -0.03 -0.38 -0.29 1.37 -1.00 0.00 0.00 179.01 178.67 2jpt h LEU 61 N -0.86 0.87 0.67 1.33 8.10 -1.56 -3.15 115.31 120.71 2jpt h LEU 61 Ca -0.06 -0.35 -0.03 0.00 0.11 0.00 0.00 57.88 57.55 2jpt h LEU 61 Cb 0.46 -0.24 0.01 0.00 -0.44 0.00 0.00 40.66 40.45 2jpt h LEU 61 CO 0.10 1.10 -0.32 -0.78 -4.11 0.00 0.00 178.44 174.42 2jpt h ASP 62 N 0.71 -0.76 -0.88 0.17 3.58 0.22 0.34 116.42 119.79 2jpt h ASP 62 Ca 0.08 0.03 0.08 0.00 0.42 0.00 0.00 57.03 57.64 2jpt h ASP 62 Cb 0.84 0.20 -0.11 0.00 1.72 0.00 0.00 39.33 41.98 2jpt h ASP 62 CO 0.07 -0.55 -0.52 -0.08 -2.88 0.00 0.00 179.24 175.29 2jpt h GLU 63 N -0.91 -0.00 -0.91 0.28 4.81 -1.26 1.45 114.58 118.03 2jpt h GLU 63 Ca -0.09 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 2jpt h GLU 63 Cb 0.69 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.02 2jpt h GLU 63 CO 0.15 -0.00 0.11 -0.25 -0.73 0.00 0.00 179.01 178.29 2jpt n ASP 64 N -4.99 2.99 -0.31 1.04 8.00 -1.19 -4.51 116.55 117.58 2jpt n ASP 64 Ca 0.02 -2.45 0.04 0.00 0.71 0.00 0.00 54.79 53.10 2jpt n ASP 64 Cb 0.23 -0.59 0.11 0.00 -0.02 0.00 0.00 41.12 40.85 2jpt n ASP 64 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2jpt h GLY 65 N 3.89 0.61 1.86 0.44 0.00 0.62 2.00 103.07 112.48 2jpt h GLY 65 Ca 0.10 0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.74 2jpt h GLY 65 CO 0.28 -0.33 0.06 -1.80 0.00 0.00 0.00 176.54 174.75 2jpt h ASP 66 N -0.00 0.00 -2.39 0.19 3.58 -1.79 -3.36 116.42 112.64 2jpt h ASP 66 Ca 0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.87 2jpt h ASP 66 Cb 0.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.69 2jpt h ASP 66 CO -0.90 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.07 2jpt n GLY 67 N -1.28 0.61 3.32 -0.78 0.00 0.68 -4.95 105.19 102.78 2jpt n GLY 67 Ca -0.02 -1.90 -0.17 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.00 1.34 0.03 1.61 -1.05 -1.26 -3.20 118.70 115.18 2jpt s GLU 68 Ca 0.00 -1.70 0.08 0.00 -0.15 0.00 0.00 54.97 53.21 2jpt s GLU 68 Cb 0.00 -0.46 -0.03 0.00 -0.44 0.00 0.00 34.13 33.21 2jpt s GLU 68 CO 0.00 -0.17 -0.24 0.54 0.95 0.00 0.00 175.26 176.33 2jpt s VAL 69 N -3.56 1.95 0.00 1.83 0.11 0.25 -4.94 120.40 116.03 2jpt s VAL 69 Ca 0.31 -1.26 0.00 0.00 -2.93 0.00 0.00 61.98 58.10 2jpt s VAL 69 Cb 0.07 -1.66 0.00 0.00 -1.53 0.00 0.00 36.38 33.26 2jpt s VAL 69 CO 0.10 0.35 0.00 -0.67 -3.33 0.00 0.00 175.10 171.55 2jpt n ASP 70 N 1.94 0.00 0.00 3.54 2.03 -1.26 -2.35 116.55 120.45 2jpt n ASP 70 Ca -0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.14 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 -1.50 0.14 -0.67 7.35 -1.26 -3.78 117.46 117.74 2jpt n PHE 71 Ca 0.00 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.84 2jpt n PHE 71 Cb 0.00 0.30 0.71 0.00 0.35 0.00 0.00 39.48 40.84 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 0.00 -0.34 -4.13 7.50 -2.00 -1.71 115.11 114.43 2jpt h GLN 72 Ca 0.00 0.00 0.10 0.00 0.50 0.00 0.00 58.65 59.25 2jpt h GLN 72 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 2jpt h GLN 72 CO 0.00 0.00 0.64 0.93 -1.50 0.00 0.00 178.83 178.90 2jpt h GLU 73 N 0.00 0.00 0.00 1.46 5.08 -1.96 0.26 114.58 119.42 2jpt h GLU 73 Ca 0.12 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 2jpt h GLU 73 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2jpt h GLU 73 CO -0.00 0.00 -0.40 0.10 -1.00 0.00 0.00 179.01 177.71 2jpt h TYR 74 N 0.00 0.00 -0.15 4.33 -0.00 -1.72 -3.31 116.97 116.11 2jpt h TYR 74 Ca 0.16 0.00 0.04 0.00 -0.00 0.00 0.00 58.73 58.94 2jpt h TYR 74 Cb 1.44 0.00 -0.07 0.00 -0.00 0.00 0.00 36.73 38.10 2jpt h TYR 74 CO 0.00 0.40 -0.43 -0.39 -0.00 0.00 0.00 178.16 177.74 2jpt h VAL 75 N 0.00 0.13 -0.88 -0.90 -1.51 -0.68 -0.71 116.25 111.70 2jpt h VAL 75 Ca -0.00 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 65.53 2jpt h VAL 75 Cb 0.96 0.13 -0.06 0.00 -2.13 0.00 0.00 31.29 30.19 2jpt h VAL 75 CO 0.05 0.00 0.57 1.62 -1.23 0.00 0.00 177.57 178.59 2jpt h VAL 76 N -0.49 1.08 -0.85 7.19 3.04 -1.75 0.08 116.25 124.55 2jpt h VAL 76 Ca 0.08 -0.35 0.21 0.00 -1.01 0.00 0.00 66.70 65.63 2jpt h VAL 76 Cb 0.63 -0.02 -0.05 0.00 -2.01 0.00 0.00 31.29 29.83 2jpt h VAL 76 CO -0.42 0.18 0.58 0.25 -1.01 0.00 0.00 177.57 177.16 2jpt h LEU 77 N 1.01 0.25 -0.58 3.16 5.85 -1.25 0.46 115.31 124.21 2jpt h LEU 77 Ca 0.37 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.97 2jpt h LEU 77 Cb 0.17 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2jpt h LEU 77 CO -0.13 0.10 -0.55 0.58 -0.34 0.00 0.00 178.44 178.10 2jpt h VAL 78 N 0.25 1.33 0.20 1.05 2.07 -0.44 -3.11 116.25 117.60 2jpt h VAL 78 Ca 0.43 -1.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 2jpt h VAL 78 Cb 1.27 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 2jpt h VAL 78 CO -0.11 0.56 -0.10 0.00 0.02 0.00 0.00 177.57 177.94 2jpt h ALA 79 N 1.05 -0.27 -0.93 1.67 0.00 -0.01 -1.85 119.26 118.91 2jpt h ALA 79 Ca 0.01 -0.18 0.27 0.00 0.00 0.00 0.00 54.91 55.00 2jpt h ALA 79 Cb 1.07 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2jpt h ALA 79 CO 0.10 -0.47 0.67 0.00 0.00 0.00 0.00 179.25 179.55 2jpt h ALA 80 N 0.05 2.88 0.03 0.00 0.00 -1.31 0.34 119.26 121.25 2jpt h ALA 80 Ca -0.03 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 2jpt h ALA 80 Cb 0.46 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2jpt h ALA 80 CO 0.05 -1.15 -0.48 1.25 0.00 0.00 0.00 179.25 178.92 2jpt h LEU 81 N 0.00 0.37 -0.12 0.00 6.46 -1.44 -3.10 115.31 117.48 2jpt h LEU 81 Ca 0.44 -0.83 -0.04 0.00 -0.12 0.00 0.00 57.88 57.33 2jpt h LEU 81 Cb 1.78 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 41.59 2jpt h LEU 81 CO -0.01 1.16 -0.10 0.00 -0.62 0.00 0.00 178.44 178.87 2jpt h THR 82 N -0.36 1.34 -0.96 1.05 1.03 -0.12 -2.84 112.91 112.05 2jpt h THR 82 Ca -0.07 -1.21 0.13 0.00 -0.01 0.00 0.00 66.41 65.25 2jpt h THR 82 Cb 1.26 1.88 -0.08 0.00 -1.07 0.00 0.00 68.15 70.13 2jpt h THR 82 CO 0.09 0.35 0.61 1.62 -0.01 0.00 0.00 175.52 178.18 2jpt h VAL 83 N -0.10 0.88 -0.11 0.00 3.04 -0.57 0.20 116.25 119.59 2jpt h VAL 83 Ca 0.02 -0.30 -0.08 0.00 -1.01 0.00 0.00 66.70 65.34 2jpt h VAL 83 Cb 0.60 -0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 29.80 2jpt h VAL 83 CO 0.03 0.16 -0.28 0.00 -1.01 0.00 0.00 177.57 176.46 2jpt h ALA 84 N 1.57 1.33 -0.02 3.17 0.00 -1.48 -2.19 119.26 121.64 2jpt h ALA 84 Ca 0.48 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2jpt h ALA 84 Cb 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2jpt h ALA 84 CO -0.25 0.47 -0.09 0.00 0.00 0.00 0.00 179.25 179.38 2jpt h ASN 86 N -0.54 0.51 -0.16 0.00 -1.24 -0.92 0.27 115.58 113.50 2jpt h ASN 86 Ca -0.01 0.04 -0.09 0.00 0.71 0.00 0.00 56.30 56.96 2jpt h ASN 86 Cb 0.76 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.74 2jpt h ASN 86 CO 0.02 0.31 -0.17 0.78 -1.29 0.00 0.00 177.43 177.08 2jpt h ASN 87 N 0.64 0.55 0.22 1.15 -0.26 -1.45 0.35 115.58 116.79 2jpt h ASN 87 Ca 0.32 -0.17 -0.01 0.00 -0.56 0.00 0.00 56.30 55.88 2jpt h ASN 87 Cb 0.26 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 2jpt h ASN 87 CO -0.22 0.74 -0.11 0.15 -1.06 0.00 0.00 177.43 176.93 2jpt h PHE 88 N 0.51 -0.28 0.00 1.19 3.57 -0.57 -3.31 116.94 118.05 2jpt h PHE 88 Ca 0.08 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2jpt h PHE 88 Cb 0.59 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.42 2jpt h PHE 88 CO 0.02 0.05 -0.00 0.74 -2.23 0.00 0.00 178.31 176.89 2jpt h PHE 89 N -0.63 -0.00 -3.45 0.41 -1.00 -0.96 -3.44 116.94 107.86 2jpt h PHE 89 Ca -0.03 -0.00 -0.67 0.00 2.81 0.00 0.00 57.97 60.08 2jpt h PHE 89 Cb 0.45 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 39.86 2jpt h PHE 89 CO 0.03 0.42 -0.66 -1.58 -1.61 0.00 0.00 178.31 174.91 2jpt s TRP 90 N -4.51 3.02 -0.20 -0.55 0.23 0.12 -5.10 118.94 111.95 2jpt s TRP 90 Ca -0.16 0.06 -0.04 0.00 -2.03 0.00 0.00 56.10 53.93 2jpt s TRP 90 Cb 0.02 -1.67 0.10 0.00 0.03 0.00 0.00 33.47 31.95 2jpt s TRP 90 CO 0.67 0.43 0.35 -1.83 0.96 0.00 0.00 176.95 177.52 2jpt s GLU 91 N -1.36 0.28 0.65 4.98 -1.05 -1.26 -3.80 118.70 117.13 2jpt s GLU 91 Ca 0.17 0.68 -0.13 0.00 -0.15 0.00 0.00 54.97 55.54 2jpt s GLU 91 Cb -0.11 -0.25 -0.01 0.00 -0.44 0.00 0.00 34.13 33.32 2jpt s GLU 91 CO 0.08 -0.46 1.06 0.54 0.95 0.00 0.00 175.26 177.43 2jpt s ASN 92 N 2.51 5.57 0.00 0.83 6.03 -1.26 -5.19 114.94 123.44 2jpt s ASN 92 Ca 0.06 1.71 0.00 0.00 -1.03 0.00 0.00 52.86 53.60 2jpt s ASN 92 Cb -0.14 -2.51 0.00 0.00 -3.03 0.00 0.00 41.25 35.57 2jpt s ASN 92 CO -0.13 -1.31 0.00 -1.54 -2.03 0.00 0.00 177.10 172.09