#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsa n SER 2 N 0.00 -0.65 0.00 6.15 3.41 -1.26 -4.94 113.62 116.33 2jsa n SER 2 Ca 0.00 -1.33 0.00 0.00 -0.26 0.00 0.00 58.87 57.28 2jsa n SER 2 Cb 0.00 0.64 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 2jsa n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jsa n ALA 3 N -0.32 0.00 -0.30 7.33 0.00 -1.26 -4.73 120.51 121.22 2jsa n ALA 3 Ca -0.20 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.16 2jsa n ALA 3 Cb 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 2jsa n ALA 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jsa n LEU 4 N 0.00 -0.77 -0.39 0.00 7.99 -1.26 -0.03 117.00 122.54 2jsa n LEU 4 Ca 0.00 1.53 -0.06 0.00 -0.01 0.00 0.00 56.01 57.47 2jsa n LEU 4 Cb 0.00 -0.29 -0.03 0.00 -0.11 0.00 0.00 43.42 42.99 2jsa n LEU 4 CO 0.00 -1.17 0.53 0.28 -1.51 0.00 0.00 177.39 175.52 2jsa h SER 5 N 0.00 -1.81 0.05 -1.43 0.02 -1.94 1.21 113.55 109.66 2jsa h SER 5 Ca 0.12 0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 61.38 2jsa h SER 5 Cb 0.30 0.86 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 2jsa h SER 5 CO -0.68 -0.26 -0.09 0.00 -1.14 0.00 0.00 176.83 174.66 2jsa h GLN 7 N -0.15 -0.01 -1.32 0.00 7.50 0.87 1.92 115.11 123.91 2jsa h GLN 7 Ca -0.01 0.00 0.38 0.00 0.50 0.00 0.00 58.65 59.53 2jsa h GLN 7 Cb 0.14 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.62 2jsa h GLN 7 CO -0.03 -0.01 1.01 0.52 -1.50 0.00 0.00 178.83 178.82 2jsa h MET 8 N -0.01 0.00 -0.33 1.46 2.86 0.18 1.36 114.93 120.45 2jsa h MET 8 Ca 0.26 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.85 2jsa h MET 8 Cb 0.52 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2jsa h MET 8 CO -0.95 0.00 -0.01 0.00 1.06 0.00 0.00 176.91 177.01 2jsa n GLU 10 N -4.52 0.04 -0.10 0.00 1.02 0.46 -0.73 120.64 116.81 2jsa n GLU 10 Ca -0.02 0.29 -0.20 0.00 -0.02 0.00 0.00 57.16 57.21 2jsa n GLU 10 Cb 0.27 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.10 2jsa n GLU 10 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2jsa n LEU 11 N -1.43 1.86 -0.06 -4.62 7.94 -0.56 -2.81 117.00 117.33 2jsa n LEU 11 Ca 0.03 0.44 -0.11 0.00 -1.11 0.00 0.00 56.01 55.27 2jsa n LEU 11 Cb 0.10 -0.93 -0.04 0.00 0.53 0.00 0.00 43.42 43.08 2jsa n LEU 11 CO 0.09 0.18 0.87 -0.37 -1.11 0.00 0.00 177.39 177.04 2jsa h VAL 12 N -1.00 1.15 0.72 1.96 -1.51 -0.88 -2.01 116.25 114.69 2jsa h VAL 12 Ca -0.33 -0.46 -0.03 0.00 -1.23 0.00 0.00 66.70 64.65 2jsa h VAL 12 Cb 1.21 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 2jsa h VAL 12 CO -0.20 0.15 -0.37 -0.37 -1.23 0.00 0.00 177.57 175.55 2jsa h VAL 13 N 0.18 0.24 -1.32 7.19 -1.51 -1.13 0.37 116.25 120.27 2jsa h VAL 13 Ca 0.07 0.00 0.41 0.00 -1.23 0.00 0.00 66.70 65.95 2jsa h VAL 13 Cb 0.16 0.24 -0.11 0.00 -2.13 0.00 0.00 31.29 29.45 2jsa h VAL 13 CO -0.01 0.00 0.87 0.50 -1.23 0.00 0.00 177.57 177.70 2jsa h LYS 14 N -1.00 0.12 0.13 5.19 3.64 -1.45 2.08 116.57 125.27 2jsa h LYS 14 Ca -0.10 -0.01 -0.29 0.00 -1.27 0.00 0.00 60.65 58.99 2jsa h LYS 14 Cb 0.78 -0.03 0.03 0.00 -0.41 0.00 0.00 32.23 32.60 2jsa h LYS 14 CO 0.15 0.08 -1.21 0.87 -2.27 0.00 0.00 179.45 177.06 2jsa h LYS 15 N 0.12 0.59 0.00 1.90 1.79 -0.54 -2.93 116.57 117.51 2jsa h LYS 15 Ca 0.78 -0.81 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2jsa h LYS 15 Cb 2.48 0.27 0.00 0.00 -1.58 0.00 0.00 32.23 33.40 2jsa h LYS 15 CO -0.34 1.37 0.00 0.98 -1.08 0.00 0.00 179.45 180.38 2jsa n TYR 16 N -3.83 0.00 -0.42 -1.35 9.36 0.58 -0.30 117.16 121.20 2jsa n TYR 16 Ca -0.14 0.00 0.37 0.00 3.32 0.00 0.00 57.90 61.45 2jsa n TYR 16 Cb 0.97 -0.42 0.64 0.00 -0.63 0.00 0.00 39.34 39.91 2jsa n TYR 16 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2jsa h GLU 17 N 0.00 0.02 -1.26 2.98 4.39 0.20 0.72 114.58 121.63 2jsa h GLU 17 Ca 0.00 -0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 2jsa h GLU 17 Cb 0.00 -0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 28.22 2jsa h GLU 17 CO 0.00 0.01 -0.77 0.41 -1.16 0.00 0.00 179.01 177.50 2jsa n GLY 18 N -1.43 5.96 0.08 -3.84 0.00 -1.11 -4.77 105.19 100.09 2jsa n GLY 18 Ca 0.39 -2.68 -0.16 0.00 0.00 0.00 0.00 46.02 43.57 2jsa n GLY 18 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2jsa h SER 19 N 2.47 0.00 0.00 1.61 0.87 0.36 -3.43 113.55 115.42 2jsa h SER 19 Ca 0.30 -0.70 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2jsa h SER 19 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2jsa h SER 19 CO 0.81 1.16 0.00 0.00 -0.53 0.00 0.00 176.83 178.26 2jsa n ALA 20 N -2.99 0.00 0.14 6.23 0.00 -1.26 -4.71 120.51 117.92 2jsa n ALA 20 Ca -0.18 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.28 2jsa n ALA 20 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 2jsa n ALA 20 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jsa n ASP 21 N 0.00 1.83 -3.54 0.00 -0.08 -1.26 -5.04 116.55 108.46 2jsa n ASP 21 Ca 0.00 -0.34 -0.18 0.00 -1.51 0.00 0.00 54.79 52.75 2jsa n ASP 21 Cb 0.00 1.11 0.01 0.00 2.34 0.00 0.00 41.12 44.58 2jsa n ASP 21 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2jsa n LYS 22 N -1.38 -1.37 -3.54 -0.67 4.76 -1.26 -4.99 118.16 109.70 2jsa n LYS 22 Ca 0.00 0.93 -0.10 0.00 -2.87 0.00 0.00 58.31 56.27 2jsa n LYS 22 Cb 0.11 -3.80 -0.10 0.00 -1.84 0.00 0.00 35.03 29.41 2jsa n LYS 22 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jsa s ASP 23 N -3.09 0.07 0.00 4.39 1.01 -1.26 -4.99 116.67 112.79 2jsa s ASP 23 Ca 0.10 0.61 0.09 0.00 0.71 0.00 0.00 52.55 54.06 2jsa s ASP 23 Cb -0.04 1.14 0.39 0.00 1.01 0.00 0.00 42.92 45.42 2jsa s ASP 23 CO 0.84 -0.26 1.24 0.00 0.21 0.00 0.00 175.17 177.21 2jsa n ALA 24 N 5.37 1.45 -0.07 5.23 0.00 -1.26 -1.22 120.51 130.00 2jsa n ALA 24 Ca -0.06 -0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.19 2jsa n ALA 24 Cb 0.50 -1.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.68 2jsa n ALA 24 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2jsa h ASN 25 N 0.00 0.00 0.79 0.00 -0.73 -1.99 -1.35 115.58 112.31 2jsa h ASN 25 Ca 0.00 -0.92 0.00 0.00 1.87 0.00 0.00 56.30 57.25 2jsa h ASN 25 Cb 0.13 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.72 2jsa h ASN 25 CO 0.00 1.07 0.00 0.52 -0.37 0.00 0.00 177.43 178.65 2jsa n VAL 26 N -4.59 0.32 -0.01 2.57 0.31 -0.86 -2.35 118.33 113.72 2jsa n VAL 26 Ca -0.13 0.08 -0.01 0.00 -0.01 0.00 0.00 64.34 64.27 2jsa n VAL 26 Cb 0.51 -0.67 -0.00 0.00 -0.91 0.00 0.00 33.84 32.77 2jsa n VAL 26 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2jsa h ILE 27 N 0.00 0.00 -0.90 2.52 2.04 -1.22 -2.80 117.51 117.14 2jsa h ILE 27 Ca 0.00 -0.19 0.25 0.00 1.00 0.00 0.00 64.86 65.92 2jsa h ILE 27 Cb 0.40 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.34 2jsa h ILE 27 CO 0.00 0.00 0.31 0.07 0.00 0.00 0.00 178.15 178.53 2jsa h LYS 28 N -0.19 0.25 0.30 2.37 2.10 -1.34 0.30 116.57 120.34 2jsa h LYS 28 Ca 0.00 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 2jsa h LYS 28 Cb 0.09 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 2jsa h LYS 28 CO 0.00 0.16 -0.14 0.87 -2.00 0.00 0.00 179.45 178.34 2jsa h LYS 29 N 0.25 -0.38 -0.53 0.07 1.57 -1.66 -2.99 116.57 112.91 2jsa h LYS 29 Ca 0.59 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.48 2jsa h LYS 29 Cb 1.20 0.09 -0.10 0.00 0.08 0.00 0.00 32.23 33.50 2jsa h LYS 29 CO -0.63 -0.12 -0.37 -0.44 -0.57 0.00 0.00 179.45 177.32 2jsa h ASP 30 N -0.61 -1.28 -0.93 0.86 5.19 -0.30 0.75 116.42 120.09 2jsa h ASP 30 Ca -0.04 0.22 0.17 0.00 -0.62 0.00 0.00 57.03 56.76 2jsa h ASP 30 Cb 0.44 0.60 -0.17 0.00 0.18 0.00 0.00 39.33 40.38 2jsa h ASP 30 CO 0.07 -0.33 -0.31 0.15 -3.12 0.00 0.00 179.24 175.70 2jsa h PHE 31 N -0.22 -0.78 -0.83 4.55 3.04 -0.59 1.54 116.94 123.65 2jsa h PHE 31 Ca 0.19 0.09 0.03 0.00 3.98 0.00 0.00 57.97 62.27 2jsa h PHE 31 Cb 0.56 0.48 -0.05 0.00 2.56 0.00 0.00 35.95 39.51 2jsa h PHE 31 CO -0.64 -0.40 0.55 0.22 -2.02 0.00 0.00 178.31 176.02 2jsa h ASP 32 N -0.02 0.90 -0.20 0.41 3.58 -0.76 0.47 116.42 120.80 2jsa h ASP 32 Ca 0.39 -0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.87 2jsa h ASP 32 Cb 0.64 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.43 2jsa h ASP 32 CO -0.95 0.62 -0.09 0.00 -2.88 0.00 0.00 179.24 175.94 2jsa h ALA 33 N 1.51 0.08 0.31 -0.78 0.00 0.34 0.30 119.26 121.02 2jsa h ALA 33 Ca 0.33 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 2jsa h ALA 33 Cb 0.01 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jsa h ALA 33 CO -0.09 -0.51 -0.15 1.49 0.00 0.00 0.00 179.25 179.98 2jsa h GLU 34 N -0.06 -0.40 -1.58 0.00 4.57 -0.31 -3.01 114.58 113.79 2jsa h GLU 34 Ca 0.11 0.03 0.51 0.00 -1.18 0.00 0.00 59.36 58.82 2jsa h GLU 34 Cb 0.23 0.09 -0.12 0.00 -0.16 0.00 0.00 28.75 28.79 2jsa h GLU 34 CO -0.25 -0.26 1.07 0.00 -1.18 0.00 0.00 179.01 178.39 2jsa n LYS 36 N -4.39 0.00 0.17 0.00 4.76 0.10 0.18 118.16 118.99 2jsa n LYS 36 Ca 0.41 0.13 0.16 0.00 -2.87 0.00 0.00 58.31 56.14 2jsa n LYS 36 Cb 1.71 -1.12 0.77 0.00 -1.84 0.00 0.00 35.03 34.55 2jsa n LYS 36 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 2jsa h LYS 37 N 0.00 0.00 0.43 1.97 5.09 -0.86 1.68 116.57 124.88 2jsa h LYS 37 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.72 2jsa h LYS 37 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 2jsa h LYS 37 CO 0.00 0.00 -0.21 1.25 -2.09 0.00 0.00 179.45 178.40 2jsa h LEU 38 N 0.00 -0.49 -4.59 7.07 6.46 0.33 -3.33 115.31 120.76 2jsa h LEU 38 Ca 0.11 -0.10 -0.60 0.00 -0.12 0.00 0.00 57.88 57.16 2jsa h LEU 38 Cb 0.51 0.13 -0.41 0.00 -0.73 0.00 0.00 40.66 40.15 2jsa h LEU 38 CO -0.00 -0.13 -0.64 0.49 -0.62 0.00 0.00 178.44 177.54 2jsa n PHE 39 N -5.22 3.43 -0.14 1.25 3.72 0.49 -4.80 117.46 116.20 2jsa n PHE 39 Ca -0.10 -3.13 -0.10 0.00 -0.05 0.00 0.00 57.45 54.07 2jsa n PHE 39 Cb 0.29 -0.16 -0.01 0.00 -0.94 0.00 0.00 39.48 38.67 2jsa n PHE 39 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 176.76 177.83 2jsa h HIS 40 N 2.62 0.75 -0.44 1.38 2.07 0.23 -2.84 115.15 118.93 2jsa h HIS 40 Ca 0.30 -0.12 -0.09 0.00 -2.85 0.00 0.00 60.37 57.62 2jsa h HIS 40 Cb 0.86 -0.20 -0.02 0.00 2.57 0.00 0.00 27.41 30.62 2jsa h HIS 40 CO 0.84 0.75 -0.08 1.79 -3.07 0.00 0.00 177.93 178.16 2jsa h THR 41 N 0.53 1.25 -2.63 6.12 1.35 -1.87 -3.44 112.91 114.22 2jsa h THR 41 Ca 0.12 -1.12 -0.60 0.00 -0.55 0.00 0.00 66.41 64.26 2jsa h THR 41 Cb 0.43 1.00 0.12 0.00 -1.73 0.00 0.00 68.15 67.97 2jsa h THR 41 CO 0.02 0.38 0.13 -0.38 -0.25 0.00 0.00 175.52 175.42 2jsa n ILE 42 N -4.18 2.07 0.00 6.82 5.41 -1.07 -4.96 119.36 123.45 2jsa n ILE 42 Ca 0.02 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.27 2jsa n ILE 42 Cb 0.35 -1.04 0.00 0.00 -0.71 0.00 0.00 39.64 38.24 2jsa n ILE 42 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2jsa n PRO 43 N 0.59 0.00 0.00 0.38 -0.04 -1.26 -4.15 135.00 130.51 2jsa n PRO 43 Ca 0.09 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.63 2jsa n PRO 43 Cb 0.34 -0.31 0.45 0.00 -0.04 0.00 0.00 33.50 33.95 2jsa n PRO 43 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2jsa n PHE 44 N -0.18 0.00 0.25 0.54 3.72 -1.26 -3.56 117.46 116.96 2jsa n PHE 44 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 2jsa n PHE 44 Cb 0.00 -0.04 -0.08 0.00 -0.94 0.00 0.00 39.48 38.42 2jsa n PHE 44 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2jsa h GLY 45 N 2.47 -1.13 1.83 1.37 0.00 -1.87 0.17 103.07 105.91 2jsa h GLY 45 Ca 0.00 0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.84 2jsa h GLY 45 CO 0.00 -0.36 0.09 -0.91 0.00 0.00 0.00 176.54 175.37 2jsa h THR 46 N -0.81 1.06 0.22 4.70 1.35 -1.72 0.18 112.91 117.89 2jsa h THR 46 Ca -0.06 -0.15 -0.01 0.00 -0.55 0.00 0.00 66.41 65.65 2jsa h THR 46 Cb 0.69 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 2jsa h THR 46 CO -0.02 0.06 -0.11 -0.09 -0.25 0.00 0.00 175.52 175.11 2jsa h ARG 47 N 0.24 -0.28 -0.28 4.72 9.65 -1.57 0.15 114.38 127.00 2jsa h ARG 47 Ca 0.06 0.02 -0.13 0.00 -1.10 0.00 0.00 59.98 58.83 2jsa h ARG 47 Cb 0.01 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 2jsa h ARG 47 CO -0.01 -0.15 -0.37 1.49 2.80 0.00 0.00 179.97 183.73 2jsa h GLU 48 N -0.35 0.65 -0.39 0.20 4.22 -0.17 -1.34 114.58 117.39 2jsa h GLU 48 Ca -0.03 -0.32 0.03 0.00 0.08 0.00 0.00 59.36 59.11 2jsa h GLU 48 Cb 0.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2jsa h GLU 48 CO 0.05 0.92 0.21 0.00 -2.18 0.00 0.00 179.01 178.01 2jsa h ASP 50 N 0.42 0.00 -0.61 0.00 3.58 -0.52 -1.34 116.42 117.96 2jsa h ASP 50 Ca 0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2jsa h ASP 50 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2jsa h ASP 50 CO -0.10 0.00 0.00 1.41 -2.88 0.00 0.00 179.24 177.67 2jsa n HIS 51 N -2.69 0.80 -0.07 0.28 8.25 0.55 -4.20 115.22 118.13 2jsa n HIS 51 Ca 0.02 -0.41 -0.08 0.00 -0.26 0.00 0.00 57.72 56.99 2jsa n HIS 51 Cb 0.29 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.32 2jsa n HIS 51 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2jsa n TYR 52 N 1.60 0.00 0.29 4.41 9.36 0.18 -4.19 117.16 128.81 2jsa n TYR 52 Ca 0.23 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.50 2jsa n TYR 52 Cb 0.62 -0.59 0.25 0.00 -0.63 0.00 0.00 39.34 38.99 2jsa n TYR 52 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 2jsa n VAL 53 N -2.69 1.32 -3.16 2.97 0.24 -0.99 -2.19 118.33 113.82 2jsa n VAL 53 Ca -0.23 0.37 -0.19 0.00 -2.04 0.00 0.00 64.34 62.25 2jsa n VAL 53 Cb 0.84 -1.25 -0.04 0.00 -1.47 0.00 0.00 33.84 31.93 2jsa n VAL 53 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2jsa n ASN 54 N -1.65 0.44 0.00 -1.34 3.02 -1.26 -4.49 115.26 109.97 2jsa n ASN 54 Ca 0.02 -2.95 0.00 0.00 -0.03 0.00 0.00 54.58 51.62 2jsa n ASN 54 Cb 0.11 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 2jsa n ASN 54 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2jsa n SER 55 N 0.64 0.00 -0.28 6.41 2.88 -1.14 -4.93 113.62 117.20 2jsa n SER 55 Ca 0.23 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.79 2jsa n SER 55 Cb 0.62 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.11 2jsa n SER 55 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jsa n LYS 56 N -0.60 0.52 -0.04 -1.46 4.76 -0.93 -4.72 118.16 115.68 2jsa n LYS 56 Ca 0.00 -1.31 0.02 0.00 -2.87 0.00 0.00 58.31 54.15 2jsa n LYS 56 Cb 0.00 -0.77 -0.16 0.00 -1.84 0.00 0.00 35.03 32.26 2jsa n LYS 56 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2jsa n VAL 57 N -0.37 0.61 0.06 -0.18 0.31 -1.09 -2.99 118.33 114.67 2jsa n VAL 57 Ca 0.04 -0.65 -0.20 0.00 -0.01 0.00 0.00 64.34 63.51 2jsa n VAL 57 Cb 0.62 -0.21 -0.13 0.00 -0.91 0.00 0.00 33.84 33.20 2jsa n VAL 57 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2jsa h ASP 58 N 0.00 0.63 0.04 4.52 5.19 -1.84 -2.86 116.42 122.10 2jsa h ASP 58 Ca -0.23 -0.87 -0.00 0.00 -0.62 0.00 0.00 57.03 55.31 2jsa h ASP 58 Cb 1.53 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.84 2jsa h ASP 58 CO 0.01 1.44 -0.02 1.55 -3.12 0.00 0.00 179.24 179.10 2jsa h PRO 59 N -0.09 -0.06 -0.83 3.56 0.13 -1.86 -2.04 132.00 130.82 2jsa h PRO 59 Ca -0.15 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.17 2jsa h PRO 59 Cb 1.68 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.71 2jsa h PRO 59 CO 0.18 0.58 0.33 0.82 -0.23 0.00 0.00 178.00 179.68 2jsa h ILE 60 N -0.81 0.56 0.00 -3.56 2.04 -1.69 1.60 117.51 115.64 2jsa h ILE 60 Ca -0.01 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2jsa h ILE 60 Cb 0.66 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2jsa h ILE 60 CO 0.01 0.08 -0.03 0.40 0.00 0.00 0.00 178.15 178.60 2jsa h ILE 61 N 0.41 0.08 0.00 -0.67 2.04 -1.56 -2.27 117.51 115.55 2jsa h ILE 61 Ca 0.48 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2jsa h ILE 61 Cb 0.83 1.66 -0.00 0.00 -0.74 0.00 0.00 36.82 38.58 2jsa h ILE 61 CO -0.48 0.03 -0.08 1.12 0.00 0.00 0.00 178.15 178.75 2jsa h HIS 62 N 0.00 0.00 0.04 1.37 2.07 0.30 0.89 115.15 119.83 2jsa h HIS 62 Ca -0.00 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.37 2jsa h HIS 62 Cb 0.66 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.63 2jsa h HIS 62 CO 0.00 0.08 -0.77 0.93 -3.07 0.00 0.00 177.93 175.10 2jsa h GLU 63 N 0.00 0.08 -0.35 5.12 4.39 -0.69 -2.09 114.58 121.05 2jsa h GLU 63 Ca -0.00 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.47 2jsa h GLU 63 Cb 0.64 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 2jsa h GLU 63 CO 0.01 1.07 -0.13 -0.07 -1.16 0.00 0.00 179.01 178.73 2jsa h LEU 64 N -0.78 0.59 -0.50 1.33 3.38 -1.47 0.92 115.31 118.78 2jsa h LEU 64 Ca -0.19 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.48 2jsa h LEU 64 Cb 1.32 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2jsa h LEU 64 CO -0.04 0.75 -0.66 1.05 0.09 0.00 0.00 178.44 179.63 2jsa h GLU 65 N 0.55 0.00 0.04 1.13 -0.00 -0.95 -3.26 114.58 112.10 2jsa h GLU 65 Ca 0.10 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 59.31 2jsa h GLU 65 Cb 0.54 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.31 2jsa h GLU 65 CO 0.03 0.66 -0.58 0.78 -0.00 0.00 0.00 179.01 179.90 2jsa h GLY 66 N 2.41 0.37 0.00 1.06 0.00 -0.76 -3.48 103.07 102.67 2jsa h GLY 66 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.60 2jsa h GLY 66 CO 0.09 0.63 0.00 0.61 0.00 0.00 0.00 176.54 177.87 2jsa n GLY 67 N 1.25 0.34 3.74 4.60 0.00 0.76 -5.07 105.19 110.81 2jsa n GLY 67 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 2jsa n GLY 67 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jsa n THR 68 N 0.00 3.98 -1.80 2.61 -1.04 0.28 -4.90 114.28 113.42 2jsa n THR 68 Ca 0.00 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.05 61.22 2jsa n THR 68 Cb 0.00 -1.64 0.09 0.00 -1.82 0.00 0.00 70.33 66.96 2jsa n THR 68 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jsa s ALA 69 N -1.30 2.53 -1.33 2.41 0.00 -1.26 -3.41 121.76 119.39 2jsa s ALA 69 Ca 0.73 -0.50 0.22 0.00 0.00 0.00 0.00 51.96 52.42 2jsa s ALA 69 Cb -0.41 -3.01 1.09 0.00 0.00 0.00 0.00 23.12 20.80 2jsa s ALA 69 CO 0.48 -1.64 1.73 -0.35 0.00 0.00 0.00 175.76 175.98 2jsa n PRO 70 N -3.32 0.25 0.00 0.00 -0.04 -1.26 -1.86 135.00 128.77 2jsa n PRO 70 Ca 0.07 0.08 0.07 0.00 -0.04 0.00 0.00 63.50 63.68 2jsa n PRO 70 Cb 0.59 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.58 2jsa n PRO 70 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2jsa n LYS 71 N -1.33 1.34 -0.09 0.54 5.02 -1.26 -4.41 118.16 117.97 2jsa n LYS 71 Ca 0.09 -1.03 -0.10 0.00 -2.02 0.00 0.00 58.31 55.26 2jsa n LYS 71 Cb 0.20 -1.22 -0.12 0.00 -0.02 0.00 0.00 35.03 33.86 2jsa n LYS 71 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2jsa n ASP 72 N 0.32 1.20 -0.11 4.39 9.92 -0.83 -4.46 116.55 126.98 2jsa n ASP 72 Ca 0.07 -0.03 -0.06 0.00 -0.53 0.00 0.00 54.79 54.24 2jsa n ASP 72 Cb 0.31 0.62 0.02 0.00 -0.64 0.00 0.00 41.12 41.42 2jsa n ASP 72 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2jsa h VAL 73 N 0.00 0.92 0.00 2.53 2.07 -1.58 0.51 116.25 120.70 2jsa h VAL 73 Ca -0.46 -0.11 -0.49 0.00 0.82 0.00 0.00 66.70 66.46 2jsa h VAL 73 Cb 1.97 0.57 0.02 0.00 -1.52 0.00 0.00 31.29 32.33 2jsa h VAL 73 CO 0.00 0.06 3.01 0.00 0.02 0.00 0.00 177.57 180.66 2jsa n THR 75 N 3.90 0.00 -0.05 0.00 -1.04 -1.05 -3.83 114.28 112.20 2jsa n THR 75 Ca 0.58 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 62.45 2jsa n THR 75 Cb 0.19 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.62 2jsa n THR 75 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2jsa h LYS 76 N 0.00 0.39 -0.85 -2.82 1.57 -0.40 -2.83 116.57 111.63 2jsa h LYS 76 Ca 0.00 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.48 2jsa h LYS 76 Cb 0.00 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 2jsa h LYS 76 CO 0.00 0.83 0.07 1.28 -0.57 0.00 0.00 179.45 181.06 2jsa n LEU 77 N -4.48 3.60 -1.34 2.94 4.77 -1.17 -4.82 117.00 116.51 2jsa n LEU 77 Ca -0.07 -1.84 -0.14 0.00 -0.03 0.00 0.00 56.01 53.93 2jsa n LEU 77 Cb 0.42 -0.61 -0.06 0.00 -2.33 0.00 0.00 43.42 40.85 2jsa n LEU 77 CO 0.41 0.51 -0.14 0.59 -1.33 0.00 0.00 177.39 177.43 2jsa n ASN 78 N 0.16 -4.08 0.00 -1.43 4.13 -1.07 -4.85 115.26 108.13 2jsa n ASN 78 Ca 0.17 0.35 0.00 0.00 1.68 0.00 0.00 54.58 56.78 2jsa n ASN 78 Cb 0.78 -3.63 0.00 0.00 -1.54 0.00 0.00 39.78 35.39 2jsa n ASN 78 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2jsa n GLU 79 N -1.81 0.00 -0.96 3.52 0.00 -1.26 -4.73 120.64 115.41 2jsa n GLU 79 Ca -0.14 0.45 -0.36 0.00 0.00 0.00 0.00 57.16 57.11 2jsa n GLU 79 Cb 0.49 -1.36 0.05 0.00 0.00 0.00 0.00 31.44 30.62 2jsa n GLU 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13