#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 -1.38 0.20 1.61 3.41 -1.26 -4.95 113.62 111.26 2jpt n SER 2 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 2jpt n SER 2 Cb 0.00 -0.43 0.37 0.00 -0.26 0.00 0.00 64.21 63.89 2jpt n SER 2 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2jpt h GLU 3 N 0.00 0.00 -0.07 4.33 4.39 -2.06 -3.03 114.58 118.13 2jpt h GLU 3 Ca 0.00 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 2jpt h GLU 3 Cb 0.61 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2jpt h GLU 3 CO 0.00 0.31 -0.72 -0.07 -1.16 0.00 0.00 179.01 177.38 2jpt h LEU 4 N 0.00 0.75 -1.30 1.33 -0.00 -2.00 -3.12 115.31 110.96 2jpt h LEU 4 Ca -0.00 -0.69 -0.01 0.00 -0.00 0.00 0.00 57.88 57.18 2jpt h LEU 4 Cb 0.86 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 41.26 2jpt h LEU 4 CO 0.04 1.33 0.35 -0.33 -0.00 0.00 0.00 178.44 179.83 2jpt h GLU 5 N 0.24 0.83 -0.58 1.13 5.08 -1.96 0.64 114.58 119.96 2jpt h GLU 5 Ca -0.07 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2jpt h GLU 5 Cb 1.37 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 2jpt h GLU 5 CO 0.14 0.59 0.38 1.15 -1.00 0.00 0.00 179.01 180.28 2jpt h THR 6 N 0.84 1.15 -0.19 1.13 2.02 -1.52 -1.79 112.91 114.55 2jpt h THR 6 Ca 0.22 -0.28 -0.19 0.00 0.77 0.00 0.00 66.41 66.93 2jpt h THR 6 Cb -0.01 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 66.70 2jpt h THR 6 CO -0.04 0.15 -0.63 0.00 0.37 0.00 0.00 175.52 175.37 2jpt h ALA 7 N 1.21 0.53 -0.55 6.16 0.00 -1.34 -2.46 119.26 122.82 2jpt h ALA 7 Ca 0.21 -0.55 0.07 0.00 0.00 0.00 0.00 54.91 54.65 2jpt h ALA 7 Cb -0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 2jpt h ALA 7 CO -0.05 0.70 0.22 0.52 0.00 0.00 0.00 179.25 180.64 2jpt h MET 8 N 0.50 0.40 -0.24 0.00 2.07 -0.49 -1.06 114.93 116.12 2jpt h MET 8 Ca -0.01 -0.02 -0.14 0.00 -2.07 0.00 0.00 59.70 57.46 2jpt h MET 8 Cb 1.22 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.85 2jpt h MET 8 CO 0.13 0.27 -0.42 0.93 1.07 0.00 0.00 176.91 178.88 2jpt h GLU 9 N 0.42 0.58 -0.46 1.72 5.08 -1.32 -1.59 114.58 119.00 2jpt h GLU 9 Ca 0.26 -0.30 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2jpt h GLU 9 Cb 0.27 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 2jpt h GLU 9 CO -0.25 0.89 0.21 1.15 -1.00 0.00 0.00 179.01 180.02 2jpt h THR 10 N 0.47 0.94 -0.20 1.13 2.02 -0.77 1.08 112.91 117.57 2jpt h THR 10 Ca 0.04 -0.15 -0.19 0.00 0.77 0.00 0.00 66.41 66.88 2jpt h THR 10 Cb 0.93 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 2jpt h THR 10 CO 0.08 0.08 -0.64 -0.07 0.37 0.00 0.00 175.52 175.34 2jpt h LEU 11 N 0.43 0.81 -0.73 2.58 3.38 -1.16 -2.86 115.31 117.76 2jpt h LEU 11 Ca 0.20 -0.48 -0.14 0.00 0.09 0.00 0.00 57.88 57.56 2jpt h LEU 11 Cb 0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2jpt h LEU 11 CO -0.16 1.25 -0.57 0.40 0.09 0.00 0.00 178.44 179.45 2jpt h ILE 12 N 0.52 1.38 0.56 1.22 2.04 -0.79 -2.38 117.51 120.07 2jpt h ILE 12 Ca -0.01 -1.92 -0.03 0.00 1.00 0.00 0.00 64.86 63.90 2jpt h ILE 12 Cb 1.23 1.97 0.01 0.00 -0.74 0.00 0.00 36.82 39.29 2jpt h ILE 12 CO 0.13 0.56 -0.27 0.78 0.00 0.00 0.00 178.15 179.35 2jpt h ASN 13 N 0.14 -0.64 -1.00 1.72 4.21 0.12 0.70 115.58 120.84 2jpt h ASN 13 Ca -0.00 -0.04 0.03 0.00 1.21 0.00 0.00 56.30 57.50 2jpt h ASN 13 Cb 1.05 0.17 -0.06 0.00 -1.12 0.00 0.00 38.32 38.36 2jpt h ASN 13 CO 0.09 -0.31 0.66 1.62 -1.29 0.00 0.00 177.43 178.19 2jpt h VAL 14 N -0.99 1.18 -0.19 2.81 3.04 -1.56 -0.17 116.25 120.37 2jpt h VAL 14 Ca -0.08 -0.44 -0.02 0.00 -1.01 0.00 0.00 66.70 65.16 2jpt h VAL 14 Cb 0.65 -0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 29.71 2jpt h VAL 14 CO 0.13 0.23 0.05 0.15 -1.01 0.00 0.00 177.57 177.12 2jpt h PHE 15 N 1.28 0.31 -0.10 3.17 3.57 -1.38 -2.65 116.94 121.14 2jpt h PHE 15 Ca 0.40 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.83 2jpt h PHE 15 Cb -0.01 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 2jpt h PHE 15 CO -0.00 0.40 -0.10 1.25 -2.23 0.00 0.00 178.31 177.63 2jpt h HIS 16 N 0.13 0.15 -0.76 0.41 2.76 -0.40 -2.17 115.15 115.26 2jpt h HIS 16 Ca 0.06 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.27 2jpt h HIS 16 Cb 0.24 -0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.11 2jpt h HIS 16 CO 0.00 0.25 0.50 0.00 -1.30 0.00 0.00 177.93 177.38 2jpt h ALA 17 N 1.76 1.61 -3.00 5.26 0.00 -0.67 -3.36 119.26 120.86 2jpt h ALA 17 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jpt h ALA 17 Cb 0.27 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jpt h ALA 17 CO 0.02 0.29 0.00 0.72 0.00 0.00 0.00 179.25 180.28 2jpt n HIS 18 N -4.47 0.00 -5.25 0.00 -0.00 -0.82 -4.93 115.22 99.76 2jpt n HIS 18 Ca 0.10 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.51 2jpt n HIS 18 Cb 0.17 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 29.99 2jpt n HIS 18 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2jpt s SER 19 N -1.63 3.07 -0.22 0.41 0.15 -1.24 -5.03 113.70 109.21 2jpt s SER 19 Ca 0.00 -0.53 -0.11 0.00 0.70 0.00 0.00 55.95 56.01 2jpt s SER 19 Cb 0.00 -1.09 -0.19 0.00 -1.71 0.00 0.00 66.02 63.04 2jpt s SER 19 CO 0.00 0.21 0.01 0.61 1.20 0.00 0.00 173.24 175.26 2jpt n GLY 20 N 3.20 -0.56 2.24 9.45 0.00 -1.26 -4.40 105.19 113.86 2jpt n GLY 20 Ca -0.18 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.88 2.78 -0.99 1.61 4.81 -1.26 -5.00 118.16 116.23 2jpt n LYS 21 Ca -0.41 -3.41 -0.40 0.00 -0.87 0.00 0.00 58.31 53.23 2jpt n LYS 21 Cb 0.90 -2.27 -0.10 0.00 0.02 0.00 0.00 35.03 33.58 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 -0.91 0.00 -0.16 1.64 0.28 -1.26 -4.68 120.64 115.55 2jpt n GLU 22 Ca 0.59 0.00 0.29 0.00 -0.16 0.00 0.00 57.16 57.88 2jpt n GLU 22 Cb 0.79 -1.11 0.72 0.00 1.43 0.00 0.00 31.44 33.27 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 7.43 0.00 -5.08 -1.84 0.00 -1.98 -3.38 103.07 98.22 2jpt h GLY 23 Ca -0.06 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.59 2jpt h GLY 23 CO 0.88 0.00 -0.69 0.99 0.00 0.00 0.00 176.54 177.73 2jpt s ASP 24 N -5.19 4.72 0.58 0.19 1.01 -1.26 -5.08 116.67 111.63 2jpt s ASP 24 Ca -0.05 -0.02 -0.15 0.00 0.71 0.00 0.00 52.55 53.05 2jpt s ASP 24 Cb 0.20 -1.19 -0.13 0.00 1.01 0.00 0.00 42.92 42.81 2jpt s ASP 24 CO 0.70 0.35 -0.32 0.29 0.21 0.00 0.00 175.17 176.41 2jpt n LYS 25 N 2.11 0.00 -1.51 8.23 5.02 -1.26 -4.50 118.16 126.26 2jpt n LYS 25 Ca -0.18 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.70 2jpt n LYS 25 Cb 0.53 -0.84 -0.07 0.00 -0.02 0.00 0.00 35.03 34.62 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 -1.58 1.28 -3.77 2.13 4.11 -1.26 -4.89 117.16 113.18 2jpt n TYR 26 Ca 0.04 0.22 -0.13 0.00 -0.00 0.00 0.00 57.90 58.03 2jpt n TYR 26 Cb 0.42 -2.55 -0.12 0.00 -0.00 0.00 0.00 39.34 37.10 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 7.82 0.27 -0.05 -3.48 1.02 -1.25 -4.71 119.74 119.36 2jpt s LYS 27 Ca 1.11 0.39 0.01 0.00 0.02 0.00 0.00 55.97 57.50 2jpt s LYS 27 Cb -0.65 0.08 0.02 0.00 -0.52 0.00 0.00 37.83 36.77 2jpt s LYS 27 CO 0.39 -0.06 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.19 2jpt s LEU 28 N 0.40 1.29 0.84 3.17 1.43 -0.18 -5.03 118.68 120.60 2jpt s LEU 28 Ca -0.02 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 52.80 2jpt s LEU 28 Cb -0.04 -0.53 0.10 0.00 0.03 0.00 0.00 46.19 45.75 2jpt s LEU 28 CO -0.02 -0.06 1.11 -0.94 0.23 0.00 0.00 176.35 176.68 2jpt s SER 29 N 1.04 4.11 0.23 2.29 1.04 -1.26 0.50 113.70 121.65 2jpt s SER 29 Ca -0.09 1.17 -0.07 0.00 0.48 0.00 0.00 55.95 57.44 2jpt s SER 29 Cb -0.14 -1.84 0.38 0.00 0.10 0.00 0.00 66.02 64.52 2jpt s SER 29 CO -0.00 -2.19 1.70 0.07 0.98 0.00 0.00 173.24 173.79 2jpt h LYS 30 N -1.25 0.27 -0.06 4.02 2.10 -1.80 -1.11 116.57 118.76 2jpt h LYS 30 Ca -0.48 -0.02 0.02 0.00 -2.00 0.00 0.00 60.65 58.17 2jpt h LYS 30 Cb 1.29 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 32.55 2jpt h LYS 30 CO 0.60 0.18 -0.03 0.87 -2.00 0.00 0.00 179.45 179.07 2jpt h LYS 31 N 0.28 -0.03 -0.98 0.07 1.57 -1.92 0.24 116.57 115.81 2jpt h LYS 31 Ca 0.37 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 59.35 2jpt h LYS 31 Cb 0.59 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.81 2jpt h LYS 31 CO -0.45 -0.02 0.62 0.93 -0.57 0.00 0.00 179.45 179.95 2jpt h GLU 32 N -0.03 0.58 0.16 3.15 5.08 -1.58 1.55 114.58 123.50 2jpt h GLU 32 Ca 0.04 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2jpt h GLU 32 Cb 0.08 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2jpt h GLU 32 CO -0.08 0.39 -0.08 1.25 -1.00 0.00 0.00 179.01 179.49 2jpt h LEU 33 N 0.60 -0.18 -1.21 1.33 6.46 -0.54 -0.85 115.31 120.92 2jpt h LEU 33 Ca 0.54 -0.25 0.08 0.00 -0.12 0.00 0.00 57.88 58.13 2jpt h LEU 33 Cb 1.06 0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.98 2jpt h LEU 33 CO -0.30 0.38 0.56 0.50 -0.62 0.00 0.00 178.44 178.97 2jpt h LYS 34 N -0.98 0.89 -0.09 1.25 3.64 0.00 -0.75 116.57 120.54 2jpt h LYS 34 Ca -0.02 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.15 2jpt h LYS 34 Cb 0.42 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2jpt h LYS 34 CO 0.04 0.59 -0.61 0.93 -2.27 0.00 0.00 179.45 178.12 2jpt h GLU 35 N 0.91 0.31 0.00 1.90 4.39 0.21 -2.60 114.58 119.71 2jpt h GLU 35 Ca 0.39 -0.21 0.03 0.00 0.34 0.00 0.00 59.36 59.90 2jpt h GLU 35 Cb 0.31 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.94 2jpt h GLU 35 CO -0.15 0.82 -0.47 1.25 -1.16 0.00 0.00 179.01 179.30 2jpt h LEU 36 N 0.23 -1.44 0.00 1.33 6.46 0.38 0.31 115.31 122.58 2jpt h LEU 36 Ca -0.01 0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.92 2jpt h LEU 36 Cb 1.13 0.55 0.00 0.00 -0.73 0.00 0.00 40.66 41.61 2jpt h LEU 36 CO 0.10 -0.49 -0.00 -0.07 -0.62 0.00 0.00 178.44 177.36 2jpt h LEU 37 N -0.63 -0.00 -0.60 2.25 4.07 -1.63 -2.83 115.31 115.94 2jpt h LEU 37 Ca 0.03 -0.62 0.12 0.00 0.08 0.00 0.00 57.88 57.50 2jpt h LEU 37 Cb 0.69 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.32 2jpt h LEU 37 CO -0.33 0.62 -0.11 1.56 -1.08 0.00 0.00 178.44 179.10 2jpt h GLN 38 N -0.63 0.03 0.00 1.13 4.20 -1.38 2.71 115.11 121.17 2jpt h GLN 38 Ca -0.00 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2jpt h GLN 38 Cb 0.62 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 2jpt h GLN 38 CO 0.00 0.02 -0.12 1.79 -0.67 0.00 0.00 178.83 179.85 2jpt h THR 39 N 0.03 1.07 0.00 -0.54 1.35 -0.45 3.41 112.91 117.79 2jpt h THR 39 Ca 0.30 -0.42 -0.04 0.00 -0.55 0.00 0.00 66.41 65.69 2jpt h THR 39 Cb 0.46 1.23 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 2jpt h THR 39 CO -0.59 0.12 -0.25 -0.33 -0.25 0.00 0.00 175.52 174.22 2jpt h GLU 40 N 0.00 0.00 -0.65 4.72 3.07 0.85 -3.37 114.58 119.19 2jpt h GLU 40 Ca -0.00 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.55 2jpt h GLU 40 Cb 0.22 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 27.95 2jpt h GLU 40 CO 0.02 0.78 0.26 1.28 -1.40 0.00 0.00 179.01 179.95 2jpt n LEU 41 N -4.61 5.42 -0.18 1.33 4.77 0.84 -4.71 117.00 119.86 2jpt n LEU 41 Ca -0.12 -3.58 -0.02 0.00 -0.03 0.00 0.00 56.01 52.26 2jpt n LEU 41 Cb 0.42 -0.73 0.04 0.00 -2.33 0.00 0.00 43.42 40.83 2jpt n LEU 41 CO 0.24 1.07 0.75 0.28 -1.33 0.00 0.00 177.39 178.40 2jpt h SER 42 N 1.31 -0.53 0.12 -1.43 0.02 0.63 0.50 113.55 114.17 2jpt h SER 42 Ca 0.37 0.17 -0.27 0.00 -0.84 0.00 0.00 61.79 61.22 2jpt h SER 42 Cb 2.22 0.35 0.02 0.00 0.14 0.00 0.00 62.40 65.12 2jpt h SER 42 CO 0.71 -0.19 -1.09 1.23 -1.14 0.00 0.00 176.83 176.35 2jpt h GLY 43 N -0.01 0.69 0.64 -3.77 0.00 -1.84 -3.26 103.07 95.52 2jpt h GLY 43 Ca 0.26 -1.28 -0.03 0.00 0.00 0.00 0.00 47.33 46.28 2jpt h GLY 43 CO -0.57 1.13 -0.31 -2.75 0.00 0.00 0.00 176.54 174.05 2jpt h PHE 44 N 0.32 -0.80 0.00 5.60 3.57 -1.73 -2.86 116.94 121.04 2jpt h PHE 44 Ca -0.14 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.34 2jpt h PHE 44 Cb 1.75 0.26 0.00 0.00 2.79 0.00 0.00 35.95 40.75 2jpt h PHE 44 CO 0.10 -0.50 0.40 1.37 -2.23 0.00 0.00 178.31 177.45 2jpt h LEU 45 N -1.22 0.00 -2.20 0.59 -0.00 -0.19 0.38 115.31 112.67 2jpt h LEU 45 Ca -0.09 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.84 2jpt h LEU 45 Cb 0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.31 2jpt h LEU 45 CO 0.14 0.00 0.17 -0.78 -0.00 0.00 0.00 178.44 177.97 2jpt h ASP 46 N 0.00 0.00 1.10 0.17 3.58 -1.55 0.27 116.42 120.00 2jpt h ASP 46 Ca 0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2jpt h ASP 46 Cb 0.80 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 2jpt h ASP 46 CO 0.00 0.00 -0.92 0.00 -2.88 0.00 0.00 179.24 175.44 2jpt h ALA 47 N 1.83 0.61 0.00 -0.78 0.00 -0.40 -3.31 119.26 117.21 2jpt h ALA 47 Ca 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2jpt h ALA 47 Cb 0.42 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2jpt h ALA 47 CO -0.00 0.22 -0.31 1.96 0.00 0.00 0.00 179.25 181.13 2jpt h GLN 48 N 0.00 0.00 -1.59 0.00 4.20 -0.61 -3.30 115.11 113.81 2jpt h GLN 48 Ca -0.03 0.00 0.46 0.00 0.06 0.00 0.00 58.65 59.14 2jpt h GLN 48 Cb 1.14 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.85 2jpt h GLN 48 CO 0.01 0.16 1.14 0.87 -0.67 0.00 0.00 178.83 180.34 2jpt h LYS 49 N 0.00 0.01 -0.32 1.46 1.79 -1.28 1.71 116.57 119.94 2jpt h LYS 49 Ca -0.01 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 2jpt h LYS 49 Cb 1.14 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.77 2jpt h LYS 49 CO 0.02 0.01 0.01 0.22 -1.08 0.00 0.00 179.45 178.63 2jpt h ASP 50 N 0.01 0.45 -3.36 0.86 3.58 -1.83 -3.41 116.42 112.73 2jpt h ASP 50 Ca 0.77 -0.08 -0.57 0.00 0.42 0.00 0.00 57.03 57.57 2jpt h ASP 50 Cb 3.03 -0.12 -0.06 0.00 1.72 0.00 0.00 39.33 43.89 2jpt h ASP 50 CO -0.03 0.52 0.07 0.00 -2.88 0.00 0.00 179.24 176.91 2jpt s ALA 51 N -4.99 3.39 0.02 -0.78 0.00 0.58 -4.94 121.76 115.05 2jpt s ALA 51 Ca -0.07 0.03 0.32 0.00 0.00 0.00 0.00 51.96 52.24 2jpt s ALA 51 Cb 0.16 -2.92 1.27 0.00 0.00 0.00 0.00 23.12 21.62 2jpt s ALA 51 CO 0.76 -0.17 1.94 0.22 0.00 0.00 0.00 175.76 178.51 2jpt h ASP 52 N 6.87 0.00 -0.55 0.00 3.58 -1.81 -3.00 116.42 121.52 2jpt h ASP 52 Ca -0.39 0.00 0.16 0.00 0.42 0.00 0.00 57.03 57.22 2jpt h ASP 52 Cb 1.18 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.21 2jpt h ASP 52 CO 0.76 0.00 0.54 0.00 -2.88 0.00 0.00 179.24 177.66 2jpt h ALA 53 N 2.02 2.32 -0.56 -0.78 0.00 -1.92 0.23 119.26 120.58 2jpt h ALA 53 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2jpt h ALA 53 Cb 0.54 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2jpt h ALA 53 CO 0.00 -0.82 0.15 -0.39 0.00 0.00 0.00 179.25 178.19 2jpt h VAL 54 N 0.00 1.24 0.00 0.00 -1.51 -1.83 -2.50 116.25 111.66 2jpt h VAL 54 Ca 0.26 -0.85 -0.08 0.00 -1.23 0.00 0.00 66.70 64.80 2jpt h VAL 54 Cb 1.33 0.74 -0.01 0.00 -2.13 0.00 0.00 31.29 31.22 2jpt h VAL 54 CO -0.00 0.31 -0.39 -0.78 -1.23 0.00 0.00 177.57 175.48 2jpt h ASP 55 N 0.78 0.00 -0.57 4.19 3.58 -0.77 -3.10 116.42 120.54 2jpt h ASP 55 Ca 0.18 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.74 2jpt h ASP 55 Cb 0.32 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.27 2jpt h ASP 55 CO -0.00 0.39 -0.06 0.50 -2.88 0.00 0.00 179.24 177.19 2jpt h LYS 56 N 0.00 0.06 -0.06 0.28 3.64 -1.10 0.30 116.57 119.69 2jpt h LYS 56 Ca -0.00 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.22 2jpt h LYS 56 Cb 0.71 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2jpt h LYS 56 CO 0.05 0.04 -0.63 -0.39 -2.27 0.00 0.00 179.45 176.26 2jpt h VAL 57 N 0.07 1.40 -0.12 2.00 -1.51 -1.59 -2.94 116.25 113.55 2jpt h VAL 57 Ca 0.28 -2.04 0.04 0.00 -1.23 0.00 0.00 66.70 63.76 2jpt h VAL 57 Cb 0.45 2.04 -0.00 0.00 -2.13 0.00 0.00 31.29 31.65 2jpt h VAL 57 CO -0.52 0.60 0.10 0.24 -1.23 0.00 0.00 177.57 176.76 2jpt h MET 58 N 0.16 0.00 -0.74 5.19 2.86 -0.91 -1.21 114.93 120.27 2jpt h MET 58 Ca -0.01 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.83 2jpt h MET 58 Cb 1.14 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.76 2jpt h MET 58 CO 0.10 0.00 0.52 -0.22 1.06 0.00 0.00 176.91 178.37 2jpt h LYS 59 N 0.00 0.14 0.41 1.72 3.64 -1.12 1.48 116.57 122.84 2jpt h LYS 59 Ca 0.06 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2jpt h LYS 59 Cb 0.27 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2jpt h LYS 59 CO -0.00 0.09 -0.20 0.93 -2.27 0.00 0.00 179.45 178.00 2jpt h GLU 60 N 0.14 -0.54 -0.40 1.90 5.08 -1.41 -2.48 114.58 116.88 2jpt h GLU 60 Ca 0.36 0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.66 2jpt h GLU 60 Cb 1.23 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 2jpt h GLU 60 CO -0.05 -0.36 -0.15 1.37 -1.00 0.00 0.00 179.01 178.82 2jpt h LEU 61 N -0.84 0.72 -0.22 1.33 8.10 -1.58 -3.03 115.31 119.80 2jpt h LEU 61 Ca -0.06 -0.22 0.05 0.00 0.11 0.00 0.00 57.88 57.76 2jpt h LEU 61 Cb 0.43 -0.20 -0.06 0.00 -0.44 0.00 0.00 40.66 40.39 2jpt h LEU 61 CO 0.09 0.88 -0.16 -0.78 -4.11 0.00 0.00 178.44 174.36 2jpt h ASP 62 N 0.65 -0.52 0.07 0.17 3.58 0.20 0.11 116.42 120.68 2jpt h ASP 62 Ca 0.11 0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 2jpt h ASP 62 Cb 0.62 0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.93 2jpt h ASP 62 CO 0.04 -0.20 -0.02 -0.08 -2.88 0.00 0.00 179.24 176.10 2jpt h GLU 63 N -0.16 0.00 -0.97 0.28 4.81 -1.36 -0.91 114.58 116.28 2jpt h GLU 63 Ca 0.13 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 2jpt h GLU 63 Cb 0.35 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 2jpt h GLU 63 CO -0.31 0.02 0.04 -0.25 -0.73 0.00 0.00 179.01 177.78 2jpt n ASP 64 N -3.79 2.27 -0.17 1.04 8.00 0.39 -4.56 116.55 119.74 2jpt n ASP 64 Ca -0.03 -2.16 0.03 0.00 0.71 0.00 0.00 54.79 53.34 2jpt n ASP 64 Cb 0.11 -0.53 0.07 0.00 -0.02 0.00 0.00 41.12 40.74 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 0.17 -0.78 0.49 0.44 0.00 -0.35 0.28 105.19 105.45 2jpt n GLY 65 Ca 0.05 0.50 0.06 0.00 0.00 0.00 0.00 46.02 46.62 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 -4.75 2.19 -3.40 1.61 2.03 -1.26 -4.88 116.55 108.07 2jpt n ASP 66 Ca 0.07 -1.60 -0.14 0.00 0.52 0.00 0.00 54.79 53.64 2jpt n ASP 66 Cb 0.23 -0.06 0.08 0.00 -0.72 0.00 0.00 41.12 40.65 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 0.59 0.35 3.44 0.27 0.00 0.79 -5.02 105.19 105.61 2jpt n GLY 67 Ca 0.08 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 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 -4.08 0.74 0.19 1.61 -1.05 -1.26 -3.21 118.70 111.65 2jpt s GLU 68 Ca 0.39 0.51 -0.03 0.00 -0.15 0.00 0.00 54.97 55.69 2jpt s GLU 68 Cb -0.02 0.35 -0.05 0.00 -0.44 0.00 0.00 34.13 33.97 2jpt s GLU 68 CO 0.26 -0.15 0.41 0.54 0.95 0.00 0.00 175.26 177.28 2jpt s VAL 69 N -0.29 5.15 0.00 1.83 0.11 0.18 -4.90 120.40 122.48 2jpt s VAL 69 Ca -0.05 -0.11 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 2jpt s VAL 69 Cb -0.03 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 31.13 2jpt s VAL 69 CO 0.03 -0.11 0.85 -0.67 -3.33 0.00 0.00 175.10 171.87 2jpt n ASP 70 N -0.38 0.00 0.00 3.54 2.03 -1.26 -1.01 116.55 119.47 2jpt n ASP 70 Ca -0.03 0.85 0.00 0.00 0.52 0.00 0.00 54.79 56.12 2jpt n ASP 70 Cb 0.53 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 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 -1.56 0.00 0.25 -0.67 7.35 -1.26 -3.29 117.46 118.29 2jpt n PHE 71 Ca 0.00 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.78 2jpt n PHE 71 Cb 0.00 0.00 0.65 0.00 0.35 0.00 0.00 39.48 40.48 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 0.00 -4.13 7.50 -1.97 -1.62 115.11 114.88 2jpt h GLN 72 Ca 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 2jpt h GLN 72 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.53 2jpt h GLN 72 CO 0.00 0.08 -0.05 0.93 -1.50 0.00 0.00 178.83 178.28 2jpt h GLU 73 N 0.00 0.00 0.00 1.46 5.08 -1.97 -2.24 114.58 116.91 2jpt h GLU 73 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2jpt h GLU 73 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2jpt h GLU 73 CO 0.01 0.05 -0.16 0.10 -1.00 0.00 0.00 179.01 178.02 2jpt h TYR 74 N 0.00 0.00 0.11 4.33 -0.00 -1.70 -3.18 116.97 116.54 2jpt h TYR 74 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 58.73 58.75 2jpt h TYR 74 Cb 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 36.88 2jpt h TYR 74 CO 0.00 0.16 -0.50 -0.39 -0.00 0.00 0.00 178.16 177.43 2jpt h VAL 75 N 0.00 0.05 -0.94 -0.90 -1.51 -1.57 -1.37 116.25 110.00 2jpt h VAL 75 Ca -0.00 0.00 0.19 0.00 -1.23 0.00 0.00 66.70 65.66 2jpt h VAL 75 Cb 0.33 0.05 -0.08 0.00 -2.13 0.00 0.00 31.29 29.45 2jpt h VAL 75 CO 0.02 0.00 0.61 1.62 -1.23 0.00 0.00 177.57 178.59 2jpt h VAL 76 N -0.72 0.71 -1.01 7.19 3.04 -1.76 0.25 116.25 123.95 2jpt h VAL 76 Ca 0.01 -0.19 0.18 0.00 -1.01 0.00 0.00 66.70 65.68 2jpt h VAL 76 Cb 0.74 0.09 -0.10 0.00 -2.01 0.00 0.00 31.29 30.01 2jpt h VAL 76 CO -0.28 0.10 0.62 0.25 -1.01 0.00 0.00 177.57 177.25 2jpt h LEU 77 N 0.56 0.82 -1.38 3.16 5.85 -1.35 0.65 115.31 123.63 2jpt h LEU 77 Ca 0.51 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 59.27 2jpt h LEU 77 Cb 1.04 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 2jpt h LEU 77 CO -0.25 0.32 -0.03 0.58 -0.34 0.00 0.00 178.44 178.73 2jpt h VAL 78 N 0.82 1.17 -0.33 1.05 2.07 -0.32 -2.72 116.25 117.99 2jpt h VAL 78 Ca 0.56 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 67.43 2jpt h VAL 78 Cb 0.81 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 2jpt h VAL 78 CO -0.36 0.23 0.13 0.00 0.02 0.00 0.00 177.57 177.59 2jpt h ALA 79 N 1.62 0.39 -0.74 1.67 0.00 0.44 0.55 119.26 123.18 2jpt h ALA 79 Ca 0.08 0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.16 2jpt h ALA 79 Cb 0.29 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.97 2jpt h ALA 79 CO 0.01 -0.25 0.25 0.00 0.00 0.00 0.00 179.25 179.25 2jpt h ALA 80 N 1.19 1.01 0.00 0.00 0.00 -1.17 0.21 119.26 120.50 2jpt h ALA 80 Ca 0.14 0.14 -0.19 0.00 0.00 0.00 0.00 54.91 55.00 2jpt h ALA 80 Cb 0.09 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2jpt h ALA 80 CO -0.13 -0.27 -0.85 1.25 0.00 0.00 0.00 179.25 179.25 2jpt h LEU 81 N 0.36 0.15 0.62 0.00 6.46 -1.43 -3.00 115.31 118.48 2jpt h LEU 81 Ca 0.41 -0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 58.02 2jpt h LEU 81 Cb 0.66 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 2jpt h LEU 81 CO -0.44 0.93 -0.45 0.74 -0.62 0.00 0.00 178.44 178.60 2jpt h THR 82 N 0.06 0.00 -0.83 1.05 2.02 0.31 -0.83 112.91 114.69 2jpt h THR 82 Ca -0.03 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.22 2jpt h THR 82 Cb 1.48 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.83 2jpt h THR 82 CO 0.12 0.00 0.51 1.62 0.37 0.00 0.00 175.52 178.14 2jpt h VAL 83 N -1.02 1.02 -0.87 3.16 3.04 -1.15 0.72 116.25 121.15 2jpt h VAL 83 Ca -0.08 -0.32 0.10 0.00 -1.01 0.00 0.00 66.70 65.39 2jpt h VAL 83 Cb 0.84 0.02 -0.07 0.00 -2.01 0.00 0.00 31.29 30.06 2jpt h VAL 83 CO 0.04 0.17 0.51 0.00 -1.01 0.00 0.00 177.57 177.28 2jpt h ALA 84 N 1.40 1.25 -0.11 3.17 0.00 -1.35 -0.12 119.26 123.50 2jpt h ALA 84 Ca 0.37 0.03 -0.23 0.00 0.00 0.00 0.00 54.91 55.07 2jpt h ALA 84 Cb 0.19 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2jpt h ALA 84 CO -0.18 0.14 -0.84 0.00 0.00 0.00 0.00 179.25 178.37 2jpt h ASN 86 N 0.48 0.76 -0.57 0.00 -0.00 0.01 -1.03 115.58 115.23 2jpt h ASN 86 Ca -0.07 0.01 0.06 0.00 -0.00 0.00 0.00 56.30 56.30 2jpt h ASN 86 Cb 1.47 -0.15 -0.03 0.00 -0.00 0.00 0.00 38.32 39.61 2jpt h ASN 86 CO 0.17 0.51 0.38 0.78 -0.00 0.00 0.00 177.43 179.27 2jpt h ASN 87 N 0.90 0.48 -0.34 1.15 2.35 -1.07 -1.83 115.58 117.22 2jpt h ASN 87 Ca 0.33 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 56.12 2jpt h ASN 87 Cb 0.10 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 2jpt h ASN 87 CO -0.15 0.31 0.09 0.15 -1.65 0.00 0.00 177.43 176.19 2jpt h PHE 88 N 0.55 0.15 -0.28 1.19 3.57 -1.20 -2.56 116.94 118.36 2jpt h PHE 88 Ca 0.25 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 2jpt h PHE 88 Cb 0.27 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2jpt h PHE 88 CO -0.00 0.05 0.04 0.74 -2.23 0.00 0.00 178.31 176.91 2jpt h PHE 89 N 0.22 0.49 -3.65 0.41 0.04 -1.31 -3.40 116.94 109.73 2jpt h PHE 89 Ca 0.16 -0.07 -0.67 0.00 2.80 0.00 0.00 57.97 60.18 2jpt h PHE 89 Cb 0.16 -0.13 -0.34 0.00 2.20 0.00 0.00 35.95 37.83 2jpt h PHE 89 CO -0.17 0.57 -0.77 -1.58 -0.60 0.00 0.00 178.31 175.76 2jpt s TRP 90 N -5.16 3.16 -0.30 -0.55 0.52 -0.84 -4.96 118.94 110.80 2jpt s TRP 90 Ca -0.14 -1.93 0.12 0.00 0.02 0.00 0.00 56.10 54.18 2jpt s TRP 90 Cb 0.08 -2.01 0.76 0.00 -1.15 0.00 0.00 33.47 31.15 2jpt s TRP 90 CO 0.74 -0.81 1.67 -1.91 0.02 0.00 0.00 176.95 176.66 2jpt n GLU 91 N 4.56 4.52 -0.32 4.98 2.13 -1.18 -4.36 120.64 130.98 2jpt n GLU 91 Ca -0.15 -2.93 0.25 0.00 0.66 0.00 0.00 57.16 54.99 2jpt n GLU 91 Cb 0.45 -2.21 0.55 0.00 0.27 0.00 0.00 31.44 30.49 2jpt n GLU 91 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2jpt h ASN 92 N 3.58 0.37 -0.02 4.31 2.35 -1.93 -3.53 115.58 120.71 2jpt h ASN 92 Ca 0.03 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2jpt h ASN 92 Cb 1.93 0.01 0.00 0.00 0.05 0.00 0.00 38.32 40.31 2jpt h ASN 92 CO 0.49 0.06 0.00 -0.24 -1.65 0.00 0.00 177.43 176.09