#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 0.23 1.61 3.41 -1.26 -5.02 113.62 112.59 2jpt n SER 2 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 2jpt n SER 2 Cb 0.00 0.00 0.56 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.02 4.33 4.39 -2.06 -2.86 114.58 118.40 2jpt h GLU 3 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 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 0.21 -0.01 -0.07 -1.16 0.00 0.00 179.01 177.98 2jpt h LEU 4 N 0.00 -0.02 -1.25 1.33 -0.00 -2.00 -3.11 115.31 110.26 2jpt h LEU 4 Ca -0.00 -0.68 0.18 0.00 -0.00 0.00 0.00 57.88 57.38 2jpt h LEU 4 Cb 0.54 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.12 2jpt h LEU 4 CO 0.03 0.69 0.60 -0.33 -0.00 0.00 0.00 178.44 179.43 2jpt h GLU 5 N -0.74 0.62 -0.71 1.13 5.08 -1.95 0.13 114.58 118.14 2jpt h GLU 5 Ca -0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2jpt h GLU 5 Cb 0.69 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2jpt h GLU 5 CO 0.00 0.41 0.42 1.15 -1.00 0.00 0.00 179.01 179.99 2jpt h THR 6 N 0.64 1.21 -0.10 1.13 2.02 -1.53 -2.38 112.91 113.90 2jpt h THR 6 Ca 0.51 -0.48 -0.16 0.00 0.77 0.00 0.00 66.41 67.05 2jpt h THR 6 Cb 0.93 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2jpt h THR 6 CO -0.26 0.22 -0.62 0.00 0.37 0.00 0.00 175.52 175.23 2jpt h ALA 7 N 1.21 0.74 -0.95 6.16 0.00 -0.80 -2.87 119.26 122.75 2jpt h ALA 7 Ca 0.25 -0.55 0.07 0.00 0.00 0.00 0.00 54.91 54.68 2jpt h ALA 7 Cb -0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 2jpt h ALA 7 CO -0.05 0.73 0.60 0.52 0.00 0.00 0.00 179.25 181.05 2jpt h MET 8 N 0.27 1.05 -0.25 0.00 2.07 -0.42 -1.85 114.93 115.80 2jpt h MET 8 Ca -0.01 -0.06 -0.19 0.00 -2.07 0.00 0.00 59.70 57.37 2jpt h MET 8 Cb 1.16 -0.24 0.00 0.00 -1.87 0.00 0.00 31.60 30.65 2jpt h MET 8 CO 0.10 0.69 -0.57 0.93 1.07 0.00 0.00 176.91 179.13 2jpt h GLU 9 N 1.08 0.82 -0.06 1.72 5.08 -1.40 -2.33 114.58 119.49 2jpt h GLU 9 Ca 0.42 -0.56 0.04 0.00 -1.00 0.00 0.00 59.36 58.26 2jpt h GLU 9 Cb 0.21 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 2jpt h GLU 9 CO -0.19 1.18 -0.21 1.15 -1.00 0.00 0.00 179.01 179.95 2jpt h THR 10 N 0.59 0.50 -0.65 1.13 2.02 -1.16 0.40 112.91 115.73 2jpt h THR 10 Ca -0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 2jpt h THR 10 Cb 1.19 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2jpt h THR 10 CO 0.13 0.00 0.14 -0.07 0.37 0.00 0.00 175.52 176.09 2jpt h LEU 11 N -0.30 0.99 -0.87 2.58 3.38 -1.41 -2.69 115.31 116.98 2jpt h LEU 11 Ca 0.08 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 2jpt h LEU 11 Cb 0.41 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2jpt h LEU 11 CO -0.23 0.96 -0.03 0.40 0.09 0.00 0.00 178.44 179.63 2jpt h ILE 12 N 0.99 1.25 0.30 1.22 2.04 -0.82 -1.09 117.51 121.39 2jpt h ILE 12 Ca 0.21 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 2jpt h ILE 12 Cb 0.37 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2jpt h ILE 12 CO 0.00 0.37 -0.20 0.78 0.00 0.00 0.00 178.15 179.10 2jpt h ASN 13 N 0.74 -0.52 -0.39 1.72 -0.26 0.10 0.18 115.58 117.15 2jpt h ASN 13 Ca 0.14 0.04 -0.06 0.00 -0.56 0.00 0.00 56.30 55.85 2jpt h ASN 13 Cb 0.49 0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.89 2jpt h ASN 13 CO 0.02 -0.32 0.03 1.62 -1.06 0.00 0.00 177.43 177.72 2jpt h VAL 14 N -0.49 1.23 0.60 2.81 3.04 -1.44 -0.50 116.25 121.51 2jpt h VAL 14 Ca -0.03 -0.93 -0.03 0.00 -1.01 0.00 0.00 66.70 64.71 2jpt h VAL 14 Cb 0.42 0.84 0.01 0.00 -2.01 0.00 0.00 31.29 30.55 2jpt h VAL 14 CO 0.01 0.33 -0.29 0.15 -1.01 0.00 0.00 177.57 176.76 2jpt h PHE 15 N 0.71 -0.75 0.00 3.17 3.57 -0.85 -2.41 116.94 120.38 2jpt h PHE 15 Ca 0.15 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2jpt h PHE 15 Cb 0.40 0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 2jpt h PHE 15 CO 0.02 -0.42 -0.04 1.25 -2.23 0.00 0.00 178.31 176.89 2jpt h HIS 16 N -0.97 0.00 -0.79 0.41 2.76 -0.61 -1.82 115.15 114.13 2jpt h HIS 16 Ca -0.08 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.06 2jpt h HIS 16 Cb 0.67 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.59 2jpt h HIS 16 CO -0.01 0.04 0.37 0.00 -1.30 0.00 0.00 177.93 177.04 2jpt h ALA 17 N 1.96 1.18 -3.00 5.26 0.00 -0.85 -3.39 119.26 120.42 2jpt h ALA 17 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2jpt h ALA 17 Cb 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2jpt h ALA 17 CO 0.01 0.62 0.00 0.72 0.00 0.00 0.00 179.25 180.60 2jpt n HIS 18 N -4.31 0.00 -4.09 0.00 -0.00 -0.69 -4.93 115.22 101.20 2jpt n HIS 18 Ca 0.08 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.47 2jpt n HIS 18 Cb 0.14 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 29.97 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 -1.25 3.72 0.00 0.41 0.15 -1.21 -4.94 113.70 110.59 2jpt s SER 19 Ca 0.00 -1.00 0.06 0.00 0.70 0.00 0.00 55.95 55.71 2jpt s SER 19 Cb 0.00 -1.48 0.03 0.00 -1.71 0.00 0.00 66.02 62.86 2jpt s SER 19 CO 0.00 -0.10 0.60 0.61 1.20 0.00 0.00 173.24 175.56 2jpt n GLY 20 N 4.55 -0.65 0.00 9.45 0.00 -1.26 -4.49 105.19 112.79 2jpt n GLY 20 Ca -0.17 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 0.08 0.01 -2.04 1.61 4.81 -1.26 -4.76 118.16 116.61 2jpt n LYS 21 Ca 0.03 -0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.20 2jpt n LYS 21 Cb 0.13 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.62 2jpt n LYS 21 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2jpt s GLU 22 N -3.01 2.41 0.25 1.64 2.12 -1.26 -4.64 118.70 116.22 2jpt s GLU 22 Ca 0.09 -1.08 0.26 0.00 0.36 0.00 0.00 54.97 54.60 2jpt s GLU 22 Cb 0.16 -5.22 0.84 0.00 0.26 0.00 0.00 34.13 30.17 2jpt s GLU 22 CO 0.81 -4.05 1.76 0.78 -0.54 0.00 0.00 175.26 174.01 2jpt h GLY 23 N 18.05 0.00 -3.00 -1.50 0.00 -1.97 -3.45 103.07 111.20 2jpt h GLY 23 Ca 0.20 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 47.07 2jpt h GLY 23 CO 1.21 0.00 -0.36 0.51 0.00 0.00 0.00 176.54 177.90 2jpt s ASP 24 N -4.65 6.23 -0.00 0.19 1.47 -1.26 -4.97 116.67 113.67 2jpt s ASP 24 Ca 0.08 0.09 -0.01 0.00 1.18 0.00 0.00 52.55 53.89 2jpt s ASP 24 Cb 0.11 -1.75 -0.00 0.00 -0.34 0.00 0.00 42.92 40.93 2jpt s ASP 24 CO 0.55 -0.20 0.02 0.29 0.68 0.00 0.00 175.17 176.51 2jpt n LYS 25 N -1.54 0.00 -3.80 2.11 5.02 -1.26 -4.87 118.16 113.82 2jpt n LYS 25 Ca -0.06 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.87 2jpt n LYS 25 Cb 0.57 -0.02 -0.07 0.00 -0.02 0.00 0.00 35.03 35.49 2jpt n LYS 25 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2jpt s TYR 26 N 0.02 3.49 -0.01 2.13 -0.85 -1.26 -5.09 117.35 115.78 2jpt s TYR 26 Ca 0.01 0.41 -0.00 0.00 -0.52 0.00 0.00 57.07 56.98 2jpt s TYR 26 Cb -0.02 -2.06 0.01 0.00 0.38 0.00 0.00 41.96 40.27 2jpt s TYR 26 CO 0.01 0.48 0.02 -1.59 -1.52 0.00 0.00 175.55 172.95 2jpt s LYS 27 N -0.24 -0.01 -0.10 -3.49 -2.85 -1.26 -4.68 119.74 107.12 2jpt s LYS 27 Ca 0.11 0.07 -0.03 0.00 -1.00 0.00 0.00 55.97 55.12 2jpt s LYS 27 Cb -0.11 -0.08 0.04 0.00 -2.06 0.00 0.00 37.83 35.61 2jpt s LYS 27 CO 0.01 -0.06 0.07 -0.51 0.10 0.00 0.00 175.35 174.95 2jpt s LEU 28 N 0.38 0.28 0.73 2.77 1.43 -1.10 -5.02 118.68 118.15 2jpt s LEU 28 Ca -0.03 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 2jpt s LEU 28 Cb -0.05 -0.21 0.03 0.00 0.03 0.00 0.00 46.19 46.00 2jpt s LEU 28 CO -0.01 -0.29 1.08 -0.94 0.23 0.00 0.00 176.35 176.42 2jpt s SER 29 N 2.14 4.88 0.41 2.29 1.04 -1.26 -1.58 113.70 121.61 2jpt s SER 29 Ca 0.04 1.77 0.18 0.00 0.48 0.00 0.00 55.95 58.42 2jpt s SER 29 Cb -0.14 -2.51 1.09 0.00 0.10 0.00 0.00 66.02 64.56 2jpt s SER 29 CO -0.06 -1.78 1.81 0.07 0.98 0.00 0.00 173.24 174.26 2jpt h LYS 30 N -0.86 0.39 -0.99 4.02 2.10 -1.65 0.58 116.57 120.16 2jpt h LYS 30 Ca -0.44 -0.02 0.18 0.00 -2.00 0.00 0.00 60.65 58.37 2jpt h LYS 30 Cb 1.22 -0.09 -0.10 0.00 -0.90 0.00 0.00 32.23 32.36 2jpt h LYS 30 CO 0.53 0.26 0.59 0.87 -2.00 0.00 0.00 179.45 179.71 2jpt h LYS 31 N 0.40 0.75 0.00 0.07 1.57 -1.90 0.61 116.57 118.07 2jpt h LYS 31 Ca 0.54 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.24 2jpt h LYS 31 Cb 1.36 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2jpt h LYS 31 CO -0.23 0.50 -0.14 0.93 -0.57 0.00 0.00 179.45 179.93 2jpt h GLU 32 N 0.77 0.09 0.51 3.15 4.39 -1.23 -2.71 114.58 119.55 2jpt h GLU 32 Ca 0.56 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 60.14 2jpt h GLU 32 Cb 0.83 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 2jpt h GLU 32 CO -0.37 0.88 -0.24 1.25 -1.16 0.00 0.00 179.01 179.37 2jpt h LEU 33 N -0.67 -0.58 -0.80 1.33 6.46 -1.21 0.57 115.31 120.42 2jpt h LEU 33 Ca -0.02 -0.06 0.13 0.00 -0.12 0.00 0.00 57.88 57.81 2jpt h LEU 33 Cb 0.93 0.15 -0.09 0.00 -0.73 0.00 0.00 40.66 40.93 2jpt h LEU 33 CO 0.03 -0.25 0.39 0.50 -0.62 0.00 0.00 178.44 178.49 2jpt h LYS 34 N -0.93 0.58 -0.05 1.25 3.64 0.04 0.26 116.57 121.36 2jpt h LYS 34 Ca -0.07 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.13 2jpt h LYS 34 Cb 0.61 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2jpt h LYS 34 CO 0.11 0.38 -0.61 0.93 -2.27 0.00 0.00 179.45 177.99 2jpt h GLU 35 N 0.59 0.17 -0.22 1.90 4.39 -1.41 -3.00 114.58 117.00 2jpt h GLU 35 Ca 0.42 -0.12 0.05 0.00 0.34 0.00 0.00 59.36 60.05 2jpt h GLU 35 Cb 0.56 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.15 2jpt h GLU 35 CO -0.34 0.73 -0.43 1.25 -1.16 0.00 0.00 179.01 179.06 2jpt h LEU 36 N 0.12 -1.37 0.29 1.33 6.46 0.23 1.23 115.31 123.60 2jpt h LEU 36 Ca -0.01 0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 2jpt h LEU 36 Cb 1.11 0.57 0.00 0.00 -0.73 0.00 0.00 40.66 41.62 2jpt h LEU 36 CO 0.09 -0.41 -0.14 -0.07 -0.62 0.00 0.00 178.44 177.29 2jpt h LEU 37 N -0.44 -0.33 -0.63 2.25 4.07 -1.61 -2.36 115.31 116.27 2jpt h LEU 37 Ca 0.09 -0.21 0.13 0.00 0.08 0.00 0.00 57.88 57.97 2jpt h LEU 37 Cb 0.61 0.08 -0.11 0.00 1.08 0.00 0.00 40.66 42.33 2jpt h LEU 37 CO -0.46 0.12 -0.06 1.56 -1.08 0.00 0.00 178.44 178.52 2jpt h GLN 38 N -0.86 0.07 0.00 1.13 4.20 -1.36 1.96 115.11 120.24 2jpt h GLN 38 Ca -0.04 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2jpt h GLN 38 Cb 0.52 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 2jpt h GLN 38 CO 0.06 0.04 -0.07 1.79 -0.67 0.00 0.00 178.83 179.99 2jpt h THR 39 N 0.07 1.02 0.00 -0.54 1.35 0.15 3.61 112.91 118.57 2jpt h THR 39 Ca 0.32 -0.25 -0.04 0.00 -0.55 0.00 0.00 66.41 65.89 2jpt h THR 39 Cb 0.52 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 2jpt h THR 39 CO -0.58 0.07 -0.23 -0.33 -0.25 0.00 0.00 175.52 174.20 2jpt h GLU 40 N 0.00 0.00 -0.52 4.72 3.07 0.14 -3.37 114.58 118.62 2jpt h GLU 40 Ca -0.00 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.62 2jpt h GLU 40 Cb 0.13 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 27.90 2jpt h GLU 40 CO 0.01 0.77 0.12 1.47 -1.40 0.00 0.00 179.01 179.99 2jpt n LEU 41 N -4.61 4.85 -0.21 1.33 -0.00 0.58 -4.74 117.00 114.21 2jpt n LEU 41 Ca -0.12 -3.62 -0.02 0.00 -0.00 0.00 0.00 56.01 52.26 2jpt n LEU 41 Cb 0.42 -0.68 0.05 0.00 -0.00 0.00 0.00 43.42 43.21 2jpt n LEU 41 CO 0.24 1.12 0.70 0.28 -0.00 0.00 0.00 177.39 179.73 2jpt h SER 42 N 1.21 -0.78 0.60 1.45 0.02 0.67 0.93 113.55 117.65 2jpt h SER 42 Ca 0.30 0.21 -0.20 0.00 -0.84 0.00 0.00 61.79 61.25 2jpt h SER 42 Cb 1.97 0.46 -0.01 0.00 0.14 0.00 0.00 62.40 64.96 2jpt h SER 42 CO 0.56 -0.25 -0.91 1.23 -1.14 0.00 0.00 176.83 176.33 2jpt h GLY 43 N -0.05 0.22 0.35 -3.77 0.00 -1.85 -3.22 103.07 94.74 2jpt h GLY 43 Ca 0.29 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 2jpt h GLY 43 CO -0.68 0.36 -0.17 -2.75 0.00 0.00 0.00 176.54 173.31 2jpt h PHE 44 N 0.11 -0.43 0.00 5.60 3.04 -1.45 -3.14 116.94 120.67 2jpt h PHE 44 Ca -0.05 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.89 2jpt h PHE 44 Cb 1.55 0.14 0.00 0.00 2.56 0.00 0.00 35.95 40.20 2jpt h PHE 44 CO 0.03 -0.27 0.36 1.37 -2.02 0.00 0.00 178.31 177.78 2jpt h LEU 45 N -1.08 0.00 -1.98 0.59 -0.00 0.66 0.28 115.31 113.79 2jpt h LEU 45 Ca -0.05 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 57.93 2jpt h LEU 45 Cb 0.36 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.00 2jpt h LEU 45 CO 0.08 0.00 0.26 -0.78 -0.00 0.00 0.00 178.44 178.00 2jpt h ASP 46 N 0.00 0.02 1.69 0.17 1.82 -1.55 0.46 116.42 119.03 2jpt h ASP 46 Ca 0.00 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.60 2jpt h ASP 46 Cb 0.72 -0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.72 2jpt h ASP 46 CO 0.00 0.01 -0.32 0.00 -1.61 0.00 0.00 179.24 177.32 2jpt h ALA 47 N 1.82 0.83 0.00 -0.78 0.00 -0.61 -3.22 119.26 117.30 2jpt h ALA 47 Ca 0.17 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2jpt h ALA 47 Cb 0.67 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2jpt h ALA 47 CO -0.01 0.24 -0.69 1.96 0.00 0.00 0.00 179.25 180.74 2jpt h GLN 48 N 0.00 0.00 -1.55 0.00 4.20 -0.28 -3.31 115.11 114.17 2jpt h GLN 48 Ca -0.01 0.00 0.45 0.00 0.06 0.00 0.00 58.65 59.15 2jpt h GLN 48 Cb 1.15 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.86 2jpt h GLN 48 CO 0.02 0.26 1.14 0.87 -0.67 0.00 0.00 178.83 180.46 2jpt h LYS 49 N 0.00 0.00 0.00 1.46 1.79 -1.00 2.40 116.57 121.22 2jpt h LYS 49 Ca -0.04 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 2jpt h LYS 49 Cb 1.28 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 2jpt h LYS 49 CO 0.04 0.00 -0.18 0.22 -1.08 0.00 0.00 179.45 178.44 2jpt h ASP 50 N 0.00 0.00 -3.27 0.86 3.58 -1.79 -3.41 116.42 112.39 2jpt h ASP 50 Ca 0.73 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 57.60 2jpt h ASP 50 Cb 3.01 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 43.98 2jpt h ASP 50 CO -0.01 0.18 -0.19 0.00 -2.88 0.00 0.00 179.24 176.34 2jpt s ALA 51 N -4.46 3.54 -0.01 -0.78 0.00 0.81 -4.96 121.76 115.90 2jpt s ALA 51 Ca -0.03 -0.26 0.32 0.00 0.00 0.00 0.00 51.96 51.99 2jpt s ALA 51 Cb 0.15 -2.54 1.23 0.00 0.00 0.00 0.00 23.12 21.95 2jpt s ALA 51 CO 0.67 0.10 1.92 -0.44 0.00 0.00 0.00 175.76 178.01 2jpt h ASP 52 N 6.38 0.00 -0.87 0.00 3.32 -1.81 -3.05 116.42 120.39 2jpt h ASP 52 Ca -0.43 0.00 0.23 0.00 0.02 0.00 0.00 57.03 56.85 2jpt h ASP 52 Cb 1.18 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.68 2jpt h ASP 52 CO 0.73 0.00 0.61 0.00 -1.72 0.00 0.00 179.24 178.86 2jpt h ALA 53 N 2.03 2.54 -0.50 3.45 0.00 -1.92 0.11 119.26 124.96 2jpt h ALA 53 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2jpt h ALA 53 Cb 0.55 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 2jpt h ALA 53 CO 0.00 -0.81 0.11 -0.39 0.00 0.00 0.00 179.25 178.16 2jpt h VAL 54 N 0.18 0.73 0.00 0.00 -1.51 -1.83 0.41 116.25 114.23 2jpt h VAL 54 Ca 0.44 -0.08 -0.06 0.00 -1.23 0.00 0.00 66.70 65.76 2jpt h VAL 54 Cb 1.43 0.46 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 2jpt h VAL 54 CO -0.09 0.04 -0.29 -0.78 -1.23 0.00 0.00 177.57 175.23 2jpt h ASP 55 N 0.25 0.00 -0.75 4.19 1.82 -1.22 -2.97 116.42 117.74 2jpt h ASP 55 Ca 0.25 0.00 0.16 0.00 -0.39 0.00 0.00 57.03 57.05 2jpt h ASP 55 Cb 0.33 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 40.24 2jpt h ASP 55 CO -0.32 0.29 0.21 0.50 -1.61 0.00 0.00 179.24 178.30 2jpt h LYS 56 N 0.00 0.29 -0.01 0.28 3.64 -0.70 0.11 116.57 120.17 2jpt h LYS 56 Ca -0.00 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.17 2jpt h LYS 56 Cb 0.54 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2jpt h LYS 56 CO 0.04 0.19 -0.82 -0.39 -2.27 0.00 0.00 179.45 176.21 2jpt h VAL 57 N 0.30 1.47 -0.22 2.00 -1.51 -1.50 -3.05 116.25 113.74 2jpt h VAL 57 Ca 0.42 -2.46 0.06 0.00 -1.23 0.00 0.00 66.70 63.49 2jpt h VAL 57 Cb 0.72 2.35 -0.01 0.00 -2.13 0.00 0.00 31.29 32.22 2jpt h VAL 57 CO -0.50 0.72 0.19 0.24 -1.23 0.00 0.00 177.57 177.00 2jpt h MET 58 N 0.13 0.00 -0.43 5.19 2.86 -0.77 0.39 114.93 122.30 2jpt h MET 58 Ca -0.04 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.71 2jpt h MET 58 Cb 1.42 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.06 2jpt h MET 58 CO 0.13 0.00 0.30 -0.22 1.06 0.00 0.00 176.91 178.18 2jpt h LYS 59 N 0.00 0.10 0.46 1.72 3.64 -1.21 1.15 116.57 122.44 2jpt h LYS 59 Ca 0.10 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2jpt h LYS 59 Cb 0.48 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2jpt h LYS 59 CO -0.00 0.07 -0.22 0.93 -2.27 0.00 0.00 179.45 177.95 2jpt h GLU 60 N 0.10 -0.60 -0.53 1.90 5.08 -1.10 -0.53 114.58 118.90 2jpt h GLU 60 Ca 0.20 0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.52 2jpt h GLU 60 Cb 0.67 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 2jpt h GLU 60 CO -0.02 -0.40 -0.01 1.37 -1.00 0.00 0.00 179.01 178.95 2jpt h LEU 61 N -0.86 0.88 -0.07 1.33 8.10 -1.58 -3.06 115.31 120.06 2jpt h LEU 61 Ca -0.06 -0.23 0.01 0.00 0.11 0.00 0.00 57.88 57.71 2jpt h LEU 61 Cb 0.47 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.44 2jpt h LEU 61 CO 0.10 0.94 -0.02 -0.78 -4.11 0.00 0.00 178.44 174.57 2jpt h ASP 62 N 0.83 -0.08 -0.87 0.17 3.58 0.13 1.22 116.42 121.41 2jpt h ASP 62 Ca 0.15 0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.71 2jpt h ASP 62 Cb 0.51 0.05 -0.10 0.00 1.72 0.00 0.00 39.33 41.50 2jpt h ASP 62 CO 0.03 -0.03 -0.51 1.21 -2.88 0.00 0.00 179.24 177.05 2jpt n GLU 63 N -5.14 -0.38 -1.01 0.28 2.13 -0.21 0.21 120.64 116.53 2jpt n GLU 63 Ca -0.05 1.44 -0.06 0.00 0.66 0.00 0.00 57.16 59.14 2jpt n GLU 63 Cb 0.07 -2.12 0.30 0.00 0.27 0.00 0.00 31.44 29.96 2jpt n GLU 63 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jpt n ASP 64 N -4.95 4.67 -0.34 4.31 8.00 -1.15 -4.70 116.55 122.39 2jpt n ASP 64 Ca 0.02 -3.26 0.04 0.00 0.71 0.00 0.00 54.79 52.29 2jpt n ASP 64 Cb 0.23 -0.74 0.10 0.00 -0.02 0.00 0.00 41.12 40.69 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 -0.26 -1.66 0.32 0.44 0.00 0.42 0.34 105.19 104.79 2jpt n GLY 65 Ca 0.41 1.01 0.19 0.00 0.00 0.00 0.00 46.02 47.63 2jpt n GLY 65 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2jpt h ASP 66 N 0.00 0.00 -3.23 1.61 3.04 -1.83 -3.33 116.42 112.69 2jpt h ASP 66 Ca 0.41 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 54.17 2jpt h ASP 66 Cb 0.64 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.94 2jpt h ASP 66 CO -0.95 0.00 0.01 0.61 -2.04 0.00 0.00 179.24 176.88 2jpt n GLY 67 N -1.19 0.48 2.88 7.15 0.00 1.03 -4.92 105.19 110.61 2jpt n GLY 67 Ca -0.03 -1.92 -0.16 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.68 0.32 0.21 1.61 -1.05 -1.26 -3.24 118.70 112.61 2jpt s GLU 68 Ca 0.05 -0.03 0.06 0.00 -0.15 0.00 0.00 54.97 54.90 2jpt s GLU 68 Cb -0.00 -0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 33.26 2jpt s GLU 68 CO 0.03 -0.03 0.18 0.54 0.95 0.00 0.00 175.26 176.93 2jpt s VAL 69 N 0.47 4.54 0.00 1.83 0.11 -0.62 -4.75 120.40 121.98 2jpt s VAL 69 Ca -0.05 -1.22 0.00 0.00 -2.93 0.00 0.00 61.98 57.79 2jpt s VAL 69 Cb -0.08 -3.39 0.00 0.00 -1.53 0.00 0.00 36.38 31.39 2jpt s VAL 69 CO -0.01 -0.23 0.00 -0.67 -3.33 0.00 0.00 175.10 170.86 2jpt n ASP 70 N -0.80 0.00 0.17 3.54 2.03 -1.26 -2.73 116.55 117.51 2jpt n ASP 70 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2jpt n ASP 70 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 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 -4.08 -0.33 -0.67 -0.00 -1.26 -4.06 117.46 107.05 2jpt n PHE 71 Ca 0.00 1.19 0.12 0.00 -0.00 0.00 0.00 57.45 58.76 2jpt n PHE 71 Cb 0.00 3.09 0.30 0.00 -0.00 0.00 0.00 39.48 42.87 2jpt n PHE 71 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 2jpt h GLN 72 N 0.00 0.65 -0.29 -4.13 7.50 -2.02 0.19 115.11 117.01 2jpt h GLN 72 Ca 0.00 -0.04 0.09 0.00 0.50 0.00 0.00 58.65 59.20 2jpt h GLN 72 Cb 0.00 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.37 2jpt h GLN 72 CO 0.00 0.43 0.66 0.93 -1.50 0.00 0.00 178.83 179.36 2jpt h GLU 73 N 0.67 0.00 0.00 1.46 5.08 -1.97 0.40 114.58 120.22 2jpt h GLU 73 Ca 0.55 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.86 2jpt h GLU 73 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2jpt h GLU 73 CO -0.40 0.00 -0.23 0.10 -1.00 0.00 0.00 179.01 177.47 2jpt h TYR 74 N 0.00 0.00 0.04 4.33 -0.00 -1.01 -3.25 116.97 117.08 2jpt h TYR 74 Ca 0.14 0.00 0.02 0.00 -0.00 0.00 0.00 58.73 58.89 2jpt h TYR 74 Cb 1.47 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 38.14 2jpt h TYR 74 CO 0.00 0.23 -0.53 -0.39 -0.00 0.00 0.00 178.16 177.47 2jpt h VAL 75 N 0.00 0.00 -0.86 -0.90 -1.51 -0.36 -0.96 116.25 111.66 2jpt h VAL 75 Ca -0.00 0.00 0.12 0.00 -1.23 0.00 0.00 66.70 65.58 2jpt h VAL 75 Cb 0.57 0.00 -0.06 0.00 -2.13 0.00 0.00 31.29 29.67 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 -0.70 0.90 -0.97 7.19 3.04 -1.76 0.11 116.25 124.08 2jpt h VAL 76 Ca 0.01 -0.26 0.19 0.00 -1.01 0.00 0.00 66.70 65.63 2jpt h VAL 76 Cb 0.73 0.09 -0.09 0.00 -2.01 0.00 0.00 31.29 30.01 2jpt h VAL 76 CO -0.33 0.14 0.61 0.25 -1.01 0.00 0.00 177.57 177.23 2jpt h LEU 77 N 0.75 0.62 -0.92 3.16 5.85 -1.26 0.91 115.31 124.42 2jpt h LEU 77 Ca 0.41 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 59.09 2jpt h LEU 77 Cb 0.56 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 2jpt h LEU 77 CO -0.18 0.24 -0.42 0.58 -0.34 0.00 0.00 178.44 178.32 2jpt h VAL 78 N 0.62 1.31 -0.55 1.05 2.07 -0.30 -3.01 116.25 117.44 2jpt h VAL 78 Ca 0.53 -1.54 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 2jpt h VAL 78 Cb 1.01 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 2jpt h VAL 78 CO -0.28 0.46 0.10 0.00 0.02 0.00 0.00 177.57 177.86 2jpt h ALA 79 N 1.36 0.74 -0.76 1.67 0.00 0.11 -0.41 119.26 121.96 2jpt h ALA 79 Ca 0.02 -0.24 0.15 0.00 0.00 0.00 0.00 54.91 54.84 2jpt h ALA 79 Cb 0.83 -0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.31 2jpt h ALA 79 CO 0.07 0.47 0.28 0.00 0.00 0.00 0.00 179.25 180.07 2jpt h ALA 80 N 1.00 1.06 0.01 0.00 0.00 -1.03 0.18 119.26 120.48 2jpt h ALA 80 Ca 0.17 0.13 -0.19 0.00 0.00 0.00 0.00 54.91 55.02 2jpt h ALA 80 Cb 0.40 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2jpt h ALA 80 CO 0.01 -0.25 -0.87 1.25 0.00 0.00 0.00 179.25 179.38 2jpt h LEU 81 N 0.40 0.16 0.45 0.00 6.46 -1.57 -3.14 115.31 118.07 2jpt h LEU 81 Ca 0.43 -0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 58.04 2jpt h LEU 81 Cb 0.68 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.55 2jpt h LEU 81 CO -0.44 0.95 -0.41 0.74 -0.62 0.00 0.00 178.44 178.66 2jpt h THR 82 N 0.07 0.00 -0.98 1.05 2.02 0.11 0.45 112.91 115.62 2jpt h THR 82 Ca -0.03 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.26 2jpt h THR 82 Cb 1.51 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.84 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 -0.85 0.95 -0.45 3.16 3.04 -1.33 0.19 116.25 120.96 2jpt h VAL 83 Ca -0.06 -0.34 -0.08 0.00 -1.01 0.00 0.00 66.70 65.21 2jpt h VAL 83 Cb 0.72 -0.13 -0.02 0.00 -2.01 0.00 0.00 31.29 29.85 2jpt h VAL 83 CO -0.03 0.18 -0.04 0.00 -1.01 0.00 0.00 177.57 176.67 2jpt h ALA 84 N 1.53 1.08 -0.20 3.17 0.00 -1.40 -1.78 119.26 121.65 2jpt h ALA 84 Ca 0.47 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 2jpt h ALA 84 Cb 0.44 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.05 2jpt h ALA 84 CO -0.23 0.58 -0.60 0.00 0.00 0.00 0.00 179.25 178.99 2jpt h ASN 86 N 0.49 0.54 -0.31 0.00 -1.24 -0.53 -2.18 115.58 112.36 2jpt h ASN 86 Ca -0.02 -0.05 -0.02 0.00 0.71 0.00 0.00 56.30 56.92 2jpt h ASN 86 Cb 1.22 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 40.12 2jpt h ASN 86 CO 0.13 0.43 0.12 0.78 -1.29 0.00 0.00 177.43 177.60 2jpt h ASN 87 N 0.61 0.47 -0.77 1.15 2.35 -1.35 -2.22 115.58 115.82 2jpt h ASN 87 Ca 0.16 -0.05 0.11 0.00 -0.55 0.00 0.00 56.30 55.97 2jpt h ASN 87 Cb -0.02 -0.12 -0.08 0.00 0.05 0.00 0.00 38.32 38.15 2jpt h ASN 87 CO -0.03 0.45 0.40 0.15 -1.65 0.00 0.00 177.43 176.75 2jpt h PHE 88 N 0.52 0.72 0.00 1.19 3.57 -1.08 -2.63 116.94 119.23 2jpt h PHE 88 Ca 0.13 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 2jpt h PHE 88 Cb 0.14 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.68 2jpt h PHE 88 CO 0.01 0.25 -0.00 0.74 -2.23 0.00 0.00 178.31 177.07 2jpt h PHE 89 N 0.65 -0.00 -3.56 0.41 0.04 -1.36 -3.43 116.94 109.70 2jpt h PHE 89 Ca 0.39 -0.00 -0.63 0.00 2.80 0.00 0.00 57.97 60.53 2jpt h PHE 89 Cb 0.44 0.00 -0.18 0.00 2.20 0.00 0.00 35.95 38.41 2jpt h PHE 89 CO -0.09 0.65 -0.57 -1.58 -0.60 0.00 0.00 178.31 176.12 2jpt s TRP 90 N -3.58 3.20 -0.15 -0.55 0.23 -0.88 -4.96 118.94 112.25 2jpt s TRP 90 Ca -0.17 -0.05 0.18 0.00 -2.03 0.00 0.00 56.10 54.03 2jpt s TRP 90 Cb 0.00 -2.21 -0.10 0.00 0.03 0.00 0.00 33.47 31.19 2jpt s TRP 90 CO 0.68 -0.08 0.89 1.49 0.96 0.00 0.00 176.95 180.89 2jpt h GLU 91 N 7.61 0.00 -0.98 4.98 4.81 -1.84 -3.36 114.58 125.80 2jpt h GLU 91 Ca -0.37 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.04 2jpt h GLU 91 Cb 1.17 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.46 2jpt h GLU 91 CO 0.63 0.21 0.61 -2.95 -0.73 0.00 0.00 179.01 176.78 2jpt h ASN 92 N 0.00 0.71 0.00 1.04 7.08 -1.93 -3.52 115.58 118.97 2jpt h ASN 92 Ca -0.12 0.08 0.00 0.00 -3.08 0.00 0.00 56.30 53.18 2jpt h ASN 92 Cb 1.42 -0.06 0.00 0.00 -2.08 0.00 0.00 38.32 37.61 2jpt h ASN 92 CO 0.03 0.28 0.00 -0.24 -2.08 0.00 0.00 177.43 175.42