#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 -1.17 0.00 6.15 3.41 -1.26 -4.94 113.62 115.81 2jsa n SER 2 Ca 0.00 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 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 -0.85 0.00 0.33 7.33 0.00 -1.26 -4.76 120.51 121.30 2jsa n ALA 3 Ca -0.12 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.52 2jsa n ALA 3 Cb 0.75 0.00 1.13 0.00 0.00 0.00 0.00 19.45 21.33 2jsa n ALA 3 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2jsa h LEU 4 N 0.00 0.00 -0.59 0.00 -0.00 -1.95 0.72 115.31 113.49 2jsa h LEU 4 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.73 2jsa h LEU 4 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 2jsa h LEU 4 CO 0.00 0.00 -0.46 0.77 -0.00 0.00 0.00 178.44 178.75 2jsa h SER 5 N 0.00 0.63 0.80 0.17 4.64 -1.92 -2.67 113.55 115.19 2jsa h SER 5 Ca 0.00 -0.30 -0.04 0.00 -0.47 0.00 0.00 61.79 60.98 2jsa h SER 5 Cb 0.01 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 61.93 2jsa h SER 5 CO -0.00 1.00 -0.40 0.00 -0.87 0.00 0.00 176.83 176.56 2jsa h GLN 7 N -1.09 -0.02 -1.04 0.00 5.75 -1.53 0.50 115.11 117.67 2jsa h GLN 7 Ca -0.11 0.00 0.29 0.00 -0.15 0.00 0.00 58.65 58.68 2jsa h GLN 7 Cb 0.85 0.01 -0.12 0.00 1.07 0.00 0.00 27.48 29.28 2jsa h GLN 7 CO 0.17 -0.02 0.63 0.52 -2.65 0.00 0.00 178.83 177.48 2jsa h MET 8 N -0.02 0.42 -0.60 1.69 2.86 -1.20 1.47 114.93 119.55 2jsa h MET 8 Ca 0.31 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.95 2jsa h MET 8 Cb 0.51 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 2jsa h MET 8 CO -0.70 0.28 0.40 0.00 1.06 0.00 0.00 176.91 177.94 2jsa n GLU 10 N -4.46 0.28 -0.09 0.00 1.02 0.50 -2.24 120.64 115.66 2jsa n GLU 10 Ca 0.07 0.03 -0.22 0.00 -0.02 0.00 0.00 57.16 57.02 2jsa n GLU 10 Cb 0.10 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.90 2jsa n GLU 10 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2jsa h LEU 11 N 0.00 0.06 0.14 -4.62 5.85 0.78 -2.84 115.31 114.67 2jsa h LEU 11 Ca 0.00 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 58.12 2jsa h LEU 11 Cb 0.32 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2jsa h LEU 11 CO 0.00 1.52 -0.07 -0.37 -0.34 0.00 0.00 178.44 179.19 2jsa h VAL 12 N -0.85 0.96 0.66 1.05 -1.51 -1.20 -1.70 116.25 113.65 2jsa h VAL 12 Ca -0.34 -0.39 -0.03 0.00 -1.23 0.00 0.00 66.70 64.71 2jsa h VAL 12 Cb 1.40 1.20 -0.01 0.00 -2.13 0.00 0.00 31.29 31.75 2jsa h VAL 12 CO -0.16 0.09 -0.42 -0.37 -1.23 0.00 0.00 177.57 175.48 2jsa h VAL 13 N -0.37 0.15 -1.43 7.19 -1.51 -1.65 0.38 116.25 119.02 2jsa h VAL 13 Ca -0.02 0.00 0.42 0.00 -1.23 0.00 0.00 66.70 65.88 2jsa h VAL 13 Cb 0.29 0.15 -0.08 0.00 -2.13 0.00 0.00 31.29 29.52 2jsa h VAL 13 CO 0.03 0.00 0.99 0.50 -1.23 0.00 0.00 177.57 177.86 2jsa h LYS 14 N -1.02 0.07 0.14 5.19 3.64 -1.49 1.93 116.57 125.03 2jsa h LYS 14 Ca -0.08 -0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.03 2jsa h LYS 14 Cb 0.83 -0.02 0.03 0.00 -0.41 0.00 0.00 32.23 32.66 2jsa h LYS 14 CO 0.08 0.05 -1.11 0.87 -2.27 0.00 0.00 179.45 177.06 2jsa h LYS 15 N 0.07 0.50 0.09 1.90 1.79 -0.22 -3.02 116.57 117.69 2jsa h LYS 15 Ca 0.74 -0.73 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2jsa h LYS 15 Cb 2.68 0.25 0.00 0.00 -1.58 0.00 0.00 32.23 33.59 2jsa h LYS 15 CO -0.16 1.33 -0.05 -0.92 -1.08 0.00 0.00 179.45 178.58 2jsa h TYR 16 N 0.03 -0.12 -1.00 -1.35 3.20 0.64 0.18 116.97 118.56 2jsa h TYR 16 Ca -0.18 -0.00 0.38 0.00 3.14 0.00 0.00 58.73 62.06 2jsa h TYR 16 Cb 1.84 0.04 -0.18 0.00 1.54 0.00 0.00 36.73 39.97 2jsa h TYR 16 CO 0.14 -0.07 0.43 0.93 -1.64 0.00 0.00 178.16 177.95 2jsa h GLU 17 N -0.38 0.03 -1.02 1.82 4.39 0.19 0.84 114.58 120.44 2jsa h GLU 17 Ca -0.01 -0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.10 2jsa h GLU 17 Cb 0.10 -0.01 -0.40 0.00 -0.10 0.00 0.00 28.75 28.34 2jsa h GLU 17 CO 0.02 0.02 -0.47 0.41 -1.16 0.00 0.00 179.01 177.83 2jsa n GLY 18 N -1.32 6.20 0.08 -3.84 0.00 -1.14 -4.75 105.19 100.42 2jsa n GLY 18 Ca 0.34 -2.63 -0.13 0.00 0.00 0.00 0.00 46.02 43.60 2jsa n GLY 18 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jsa h SER 19 N 2.29 -0.05 0.00 1.61 4.64 0.39 -3.45 113.55 118.98 2jsa h SER 19 Ca 0.40 -0.56 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2jsa h SER 19 Cb 1.22 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2jsa h SER 19 CO 0.93 0.57 0.00 0.00 -0.87 0.00 0.00 176.83 177.45 2jsa n ALA 20 N -2.46 0.00 -0.02 5.18 0.00 -1.26 -4.66 120.51 117.29 2jsa n ALA 20 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 2jsa n ALA 20 Cb 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.72 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 3.91 -2.69 0.00 -0.08 -1.26 -5.06 116.55 111.38 2jsa n ASP 21 Ca 0.00 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.20 2jsa n ASP 21 Cb 0.00 0.68 0.04 0.00 2.34 0.00 0.00 41.12 44.18 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 -2.10 -1.42 -3.60 -0.67 4.01 -1.26 -5.04 118.16 108.07 2jsa n LYS 22 Ca -0.06 0.74 -0.18 0.00 -0.51 0.00 0.00 58.31 58.30 2jsa n LYS 22 Cb 0.58 -4.51 -0.15 0.00 -0.51 0.00 0.00 35.03 30.45 2jsa n LYS 22 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2jsa s ASP 23 N -3.14 1.07 0.05 4.39 1.11 -1.26 -4.98 116.67 113.91 2jsa s ASP 23 Ca 0.25 0.08 0.07 0.00 0.18 0.00 0.00 52.55 53.13 2jsa s ASP 23 Cb -0.03 0.31 0.33 0.00 1.07 0.00 0.00 42.92 44.60 2jsa s ASP 23 CO 0.52 -0.28 1.22 0.00 1.18 0.00 0.00 175.17 177.81 2jsa n ALA 24 N 5.32 1.20 0.10 5.23 0.00 -1.26 -1.16 120.51 129.94 2jsa n ALA 24 Ca -0.05 0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.18 2jsa n ALA 24 Cb 0.50 -1.11 -0.15 0.00 0.00 0.00 0.00 19.45 18.68 2jsa n ALA 24 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2jsa h ASN 25 N 0.00 0.66 0.64 0.00 2.35 -1.99 -1.08 115.58 116.16 2jsa h ASN 25 Ca 0.00 -0.94 0.00 0.00 -0.55 0.00 0.00 56.30 54.81 2jsa h ASN 25 Cb 0.08 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.24 2jsa h ASN 25 CO 0.00 1.56 -0.13 0.52 -1.65 0.00 0.00 177.43 177.72 2jsa n VAL 26 N -3.92 0.00 -0.03 2.81 0.31 -0.31 -2.70 118.33 114.49 2jsa n VAL 26 Ca -0.16 -0.02 -0.02 0.00 -0.01 0.00 0.00 64.34 64.13 2jsa n VAL 26 Cb 0.97 -0.22 -0.01 0.00 -0.91 0.00 0.00 33.84 33.66 2jsa n VAL 26 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2jsa n ILE 27 N -1.30 0.67 -0.35 2.52 5.41 -0.36 -2.40 119.36 123.56 2jsa n ILE 27 Ca 0.10 0.36 0.15 0.00 1.00 0.00 0.00 62.75 64.36 2jsa n ILE 27 Cb 0.31 -1.92 0.35 0.00 -0.71 0.00 0.00 39.64 37.67 2jsa n ILE 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 2jsa h LYS 28 N -0.47 0.64 0.34 0.38 2.10 -1.34 0.16 116.57 118.39 2jsa h LYS 28 Ca 0.00 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.59 2jsa h LYS 28 Cb 0.28 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 2jsa h LYS 28 CO 0.00 0.43 -0.17 0.87 -2.00 0.00 0.00 179.45 178.58 2jsa h LYS 29 N 0.66 -0.45 -0.83 0.07 1.57 -1.71 -3.11 116.57 112.78 2jsa h LYS 29 Ca 0.61 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.55 2jsa h LYS 29 Cb 1.04 0.10 -0.14 0.00 0.08 0.00 0.00 32.23 33.31 2jsa h LYS 29 CO -0.43 -0.13 -0.35 -0.44 -0.57 0.00 0.00 179.45 177.53 2jsa h ASP 30 N -0.93 -1.26 -0.46 0.86 3.32 -0.84 -0.30 116.42 116.82 2jsa h ASP 30 Ca -0.05 0.27 0.05 0.00 0.02 0.00 0.00 57.03 57.32 2jsa h ASP 30 Cb 0.52 0.66 -0.07 0.00 0.22 0.00 0.00 39.33 40.67 2jsa h ASP 30 CO 0.08 -0.29 -0.38 0.15 -1.72 0.00 0.00 179.24 177.07 2jsa h PHE 31 N -0.06 -1.19 -1.27 4.55 3.04 -0.76 0.93 116.94 122.17 2jsa h PHE 31 Ca 0.31 0.07 0.38 0.00 3.98 0.00 0.00 57.97 62.72 2jsa h PHE 31 Cb 0.59 0.58 -0.10 0.00 2.56 0.00 0.00 35.95 39.57 2jsa h PHE 31 CO -0.76 -0.29 0.84 0.22 -2.02 0.00 0.00 178.31 176.30 2jsa h ASP 32 N -0.14 0.25 0.76 0.41 1.82 -1.00 0.51 116.42 119.03 2jsa h ASP 32 Ca 0.08 0.09 -0.04 0.00 -0.39 0.00 0.00 57.03 56.77 2jsa h ASP 32 Cb 0.33 0.07 0.01 0.00 0.68 0.00 0.00 39.33 40.42 2jsa h ASP 32 CO -0.50 -0.07 -0.36 0.00 -1.61 0.00 0.00 179.24 176.70 2jsa h ALA 33 N 1.54 -1.02 -0.36 -0.78 0.00 0.16 0.20 119.26 119.00 2jsa h ALA 33 Ca 0.73 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 55.26 2jsa h ALA 33 Cb 2.31 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 20.41 2jsa h ALA 33 CO -0.30 -1.07 0.20 -1.91 0.00 0.00 0.00 179.25 176.16 2jsa n GLU 34 N -5.53 1.79 0.03 0.00 4.07 0.14 -2.99 120.64 118.16 2jsa n GLU 34 Ca -0.14 -1.23 0.00 0.00 -0.06 0.00 0.00 57.16 55.72 2jsa n GLU 34 Cb 0.41 -1.57 0.00 0.00 -0.06 0.00 0.00 31.44 30.22 2jsa n GLU 34 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jsa h LYS 36 N 0.00 0.80 0.00 0.00 1.57 -0.74 2.00 116.57 120.21 2jsa h LYS 36 Ca 0.00 -0.24 -0.20 0.00 -1.87 0.00 0.00 60.65 58.34 2jsa h LYS 36 Cb 0.34 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.59 2jsa h LYS 36 CO 0.00 0.83 -0.79 0.87 -0.57 0.00 0.00 179.45 179.79 2jsa h LYS 37 N 0.74 0.53 0.40 3.15 1.79 -1.71 0.17 116.57 121.63 2jsa h LYS 37 Ca 0.14 -0.57 -0.02 0.00 -2.18 0.00 0.00 60.65 58.01 2jsa h LYS 37 Cb 0.51 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2jsa h LYS 37 CO 0.03 1.20 -0.19 1.25 -1.08 0.00 0.00 179.45 180.65 2jsa h LEU 38 N 0.09 -0.46 -2.31 2.94 5.85 -1.67 -3.15 115.31 116.61 2jsa h LEU 38 Ca -0.10 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.45 2jsa h LEU 38 Cb 1.48 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.58 2jsa h LEU 38 CO 0.16 -0.02 0.11 0.49 -0.34 0.00 0.00 178.44 178.83 2jsa n PHE 39 N -5.15 0.93 0.28 1.25 3.72 0.67 -4.23 117.46 114.94 2jsa n PHE 39 Ca -0.08 -0.61 0.17 0.00 -0.05 0.00 0.00 57.45 56.89 2jsa n PHE 39 Cb 0.26 -0.37 0.93 0.00 -0.94 0.00 0.00 39.48 39.36 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 0.94 0.00 0.00 1.38 2.07 -0.61 -2.44 115.15 116.49 2jsa h HIS 40 Ca 0.11 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.55 2jsa h HIS 40 Cb 1.34 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.31 2jsa h HIS 40 CO 0.49 0.00 -0.72 1.79 -3.07 0.00 0.00 177.93 176.41 2jsa h THR 41 N 0.00 0.35 -0.45 6.12 1.35 -1.82 -3.48 112.91 114.98 2jsa h THR 41 Ca 0.00 -1.43 -0.30 0.00 -0.55 0.00 0.00 66.41 64.13 2jsa h THR 41 Cb 0.17 0.82 0.05 0.00 -1.73 0.00 0.00 68.15 67.46 2jsa h THR 41 CO 0.00 0.12 -0.23 -0.38 -0.25 0.00 0.00 175.52 174.77 2jsa n ILE 42 N -4.56 0.88 -2.32 6.82 2.08 -0.92 -4.67 119.36 116.68 2jsa n ILE 42 Ca -0.15 -0.22 -0.41 0.00 0.56 0.00 0.00 62.75 62.53 2jsa n ILE 42 Cb 0.39 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.26 2jsa n ILE 42 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2jsa s PRO 43 N -0.44 3.07 0.00 0.38 0.04 -1.26 -3.00 135.00 133.78 2jsa s PRO 43 Ca 0.29 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.67 2jsa s PRO 43 Cb -0.42 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 29.90 2jsa s PRO 43 CO 0.25 -2.23 0.00 1.19 0.04 0.00 0.00 177.00 176.25 2jsa n PHE 44 N 10.50 0.00 -0.32 0.56 3.72 -1.26 -4.86 117.46 125.81 2jsa n PHE 44 Ca 0.13 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.70 2jsa n PHE 44 Cb 0.50 -0.30 0.37 0.00 -0.94 0.00 0.00 39.48 39.11 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 0.00 1.69 0.17 1.37 0.00 -1.79 0.38 103.07 104.89 2jsa h GLY 45 Ca 0.00 -0.14 0.11 0.00 0.00 0.00 0.00 47.33 47.30 2jsa h GLY 45 CO 0.00 -0.41 0.10 -0.91 0.00 0.00 0.00 176.54 175.32 2jsa h THR 46 N 0.29 0.63 -0.97 4.70 1.35 -1.79 0.20 112.91 117.31 2jsa h THR 46 Ca 0.63 -0.08 0.17 0.00 -0.55 0.00 0.00 66.41 66.58 2jsa h THR 46 Cb 1.34 0.38 -0.09 0.00 -1.73 0.00 0.00 68.15 68.06 2jsa h THR 46 CO -0.62 0.04 0.61 0.03 -0.25 0.00 0.00 175.52 175.33 2jsa h ARG 47 N 0.23 0.72 -0.12 4.72 2.47 -0.63 0.21 114.38 121.98 2jsa h ARG 47 Ca 0.30 -0.04 -0.18 0.00 -1.26 0.00 0.00 59.98 58.80 2jsa h ARG 47 Cb 0.45 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.61 2jsa h ARG 47 CO -0.41 0.48 -0.66 0.93 0.56 0.00 0.00 179.97 180.86 2jsa h GLU 48 N 0.74 0.46 0.43 0.04 4.39 -0.58 -1.99 114.58 118.07 2jsa h GLU 48 Ca 0.52 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 2jsa h GLU 48 Cb 0.83 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 2jsa h GLU 48 CO -0.29 0.97 -0.42 0.00 -1.16 0.00 0.00 179.01 178.10 2jsa h ASP 50 N -0.86 0.00 0.06 0.00 1.82 -1.30 0.56 116.42 116.70 2jsa h ASP 50 Ca -0.04 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2jsa h ASP 50 Cb 0.76 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.77 2jsa h ASP 50 CO -0.06 0.02 -0.00 1.57 -1.61 0.00 0.00 179.24 179.15 2jsa n HIS 51 N -4.26 0.00 -0.09 0.28 -0.00 -0.14 -3.13 115.22 107.89 2jsa n HIS 51 Ca -0.03 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.07 2jsa n HIS 51 Cb 0.10 -0.03 -0.14 0.00 -0.12 0.00 0.00 29.99 29.80 2jsa n HIS 51 CO 0.00 0.00 0.00 0.98 0.46 0.00 0.00 176.34 177.78 2jsa n TYR 52 N -0.90 0.00 -0.53 1.57 9.36 0.19 -4.12 117.16 122.72 2jsa n TYR 52 Ca 0.22 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.29 2jsa n TYR 52 Cb 0.15 -0.88 0.07 0.00 -0.63 0.00 0.00 39.34 38.05 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 -2.66 2.49 -2.61 2.97 0.24 -0.89 -0.44 118.33 117.43 2jsa n VAL 53 Ca -0.29 -1.37 -0.02 0.00 -2.04 0.00 0.00 64.34 60.63 2jsa n VAL 53 Cb 1.07 -1.02 -0.02 0.00 -1.47 0.00 0.00 33.84 32.40 2jsa n VAL 53 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2jsa n ASN 54 N -0.05 -0.72 0.00 -1.34 5.15 -1.26 -4.87 115.26 112.17 2jsa n ASN 54 Ca 0.32 -1.38 0.00 0.00 -0.60 0.00 0.00 54.58 52.92 2jsa n ASN 54 Cb 0.85 0.69 0.00 0.00 -0.53 0.00 0.00 39.78 40.79 2jsa n ASN 54 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2jsa n SER 55 N -0.36 0.00 -0.06 1.20 7.64 -1.25 -4.93 113.62 115.86 2jsa n SER 55 Ca -0.21 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.68 2jsa n SER 55 Cb 0.59 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.78 2jsa n SER 55 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2jsa n LYS 56 N 0.00 3.03 -0.12 1.43 4.76 -0.91 -4.49 118.16 121.86 2jsa n LYS 56 Ca 0.00 -0.32 -0.26 0.00 -2.87 0.00 0.00 58.31 54.86 2jsa n LYS 56 Cb 0.00 -0.84 -0.11 0.00 -1.84 0.00 0.00 35.03 32.24 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 -0.50 1.54 -0.27 -0.18 0.31 0.42 -2.82 118.33 116.83 2jsa n VAL 57 Ca 0.01 -0.36 0.06 0.00 -0.01 0.00 0.00 64.34 64.04 2jsa n VAL 57 Cb 0.07 -1.83 0.20 0.00 -0.91 0.00 0.00 33.84 31.37 2jsa n VAL 57 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2jsa h ASP 58 N -0.77 0.37 0.15 4.52 1.82 -1.83 0.43 116.42 121.12 2jsa h ASP 58 Ca -0.60 0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.13 2jsa h ASP 58 Cb 1.63 0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.69 2jsa h ASP 58 CO -0.30 0.15 -0.07 1.55 -1.61 0.00 0.00 179.24 178.96 2jsa h PRO 59 N 0.51 -0.20 -0.49 0.28 0.13 -1.79 -2.28 132.00 128.17 2jsa h PRO 59 Ca 0.43 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.63 2jsa h PRO 59 Cb 0.62 0.04 -0.09 0.00 0.13 0.00 0.00 31.00 31.71 2jsa h PRO 59 CO -0.38 0.17 -0.52 0.82 -0.23 0.00 0.00 178.00 177.86 2jsa h ILE 60 N -0.96 0.03 -0.01 -3.56 2.04 -1.32 1.65 117.51 115.38 2jsa h ILE 60 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2jsa h ILE 60 Cb 0.46 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2jsa h ILE 60 CO 0.03 0.00 0.02 0.40 0.00 0.00 0.00 178.15 178.61 2jsa h ILE 61 N -0.33 0.23 -0.04 -0.67 2.04 -0.27 0.18 117.51 118.66 2jsa h ILE 61 Ca 0.11 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.92 2jsa h ILE 61 Cb 0.58 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2jsa h ILE 61 CO -0.64 0.00 -0.24 1.12 0.00 0.00 0.00 178.15 178.39 2jsa h HIS 62 N 0.00 0.06 0.00 1.37 2.07 0.30 0.22 115.15 119.17 2jsa h HIS 62 Ca 0.00 -0.01 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 2jsa h HIS 62 Cb 0.05 -0.02 -0.00 0.00 2.57 0.00 0.00 27.41 30.01 2jsa h HIS 62 CO 0.00 0.30 -0.23 0.93 -3.07 0.00 0.00 177.93 175.85 2jsa h GLU 63 N 0.06 0.00 -0.64 5.12 5.08 0.31 -2.78 114.58 121.73 2jsa h GLU 63 Ca 0.01 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.49 2jsa h GLU 63 Cb 0.45 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.61 2jsa h GLU 63 CO 0.03 0.21 0.15 -0.07 -1.00 0.00 0.00 179.01 178.33 2jsa h LEU 64 N -1.00 0.02 -1.10 1.33 3.38 -1.44 0.29 115.31 116.79 2jsa h LEU 64 Ca -0.03 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2jsa h LEU 64 Cb 0.37 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 2jsa h LEU 64 CO -0.02 0.01 0.38 1.05 0.09 0.00 0.00 178.44 179.96 2jsa h GLU 65 N 0.27 1.01 0.00 1.13 -0.00 -0.71 -1.25 114.58 115.03 2jsa h GLU 65 Ca 0.34 -0.12 -0.04 0.00 -0.00 0.00 0.00 59.36 59.54 2jsa h GLU 65 Cb 0.52 -0.20 -0.01 0.00 -0.00 0.00 0.00 28.75 29.06 2jsa h GLU 65 CO -0.42 0.75 -0.19 0.78 -0.00 0.00 0.00 179.01 179.93 2jsa h GLY 66 N 1.06 0.00 0.00 1.06 0.00 -0.26 -3.45 103.07 101.48 2jsa h GLY 66 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2jsa h GLY 66 CO -0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.11 2jsa n GLY 67 N -0.70 0.36 3.78 4.60 0.00 -0.09 -5.08 105.19 108.07 2jsa n GLY 67 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2jsa n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jsa s THR 68 N -1.17 3.39 0.58 2.61 2.01 0.31 -4.94 115.64 118.43 2jsa s THR 68 Ca 0.00 0.52 -0.06 0.00 0.31 0.00 0.00 61.69 62.46 2jsa s THR 68 Cb 0.00 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.47 2jsa s THR 68 CO 0.00 -0.52 0.89 0.00 -0.69 0.00 0.00 174.62 174.30 2jsa s ALA 69 N -2.72 3.30 -1.91 7.40 0.00 -1.26 -3.94 121.76 122.63 2jsa s ALA 69 Ca 0.63 -0.64 0.24 0.00 0.00 0.00 0.00 51.96 52.19 2jsa s ALA 69 Cb -0.18 -2.63 1.38 0.00 0.00 0.00 0.00 23.12 21.70 2jsa s ALA 69 CO 0.50 -0.73 1.79 -0.35 0.00 0.00 0.00 175.76 176.96 2jsa n PRO 70 N -2.55 0.68 0.00 0.00 -0.04 -1.26 -1.81 135.00 130.03 2jsa n PRO 70 Ca 0.04 0.01 0.05 0.00 -0.04 0.00 0.00 63.50 63.56 2jsa n PRO 70 Cb 0.57 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.05 3.21 -0.11 0.54 5.02 -1.26 -4.37 118.16 120.15 2jsa n LYS 71 Ca 0.17 -0.21 -0.13 0.00 -2.02 0.00 0.00 58.31 56.12 2jsa n LYS 71 Cb 0.10 -1.00 -0.14 0.00 -0.02 0.00 0.00 35.03 33.96 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 -0.90 0.82 0.16 4.39 8.00 -0.79 -4.44 116.55 123.79 2jsa n ASP 72 Ca 0.03 -0.04 -0.14 0.00 0.71 0.00 0.00 54.79 55.35 2jsa n ASP 72 Cb 0.17 0.40 -0.07 0.00 -0.02 0.00 0.00 41.12 41.60 2jsa n ASP 72 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2jsa h VAL 73 N 0.00 0.70 -0.04 2.53 2.07 -1.58 -2.51 116.25 117.43 2jsa h VAL 73 Ca -0.55 0.00 -0.69 0.00 0.82 0.00 0.00 66.70 66.28 2jsa h VAL 73 Cb 2.11 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2jsa h VAL 73 CO -0.01 0.00 2.82 0.00 0.02 0.00 0.00 177.57 180.40 2jsa n THR 75 N 5.46 0.00 -0.02 0.00 -1.04 -1.20 -4.49 114.28 112.99 2jsa n THR 75 Ca 0.51 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 62.36 2jsa n THR 75 Cb 0.40 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.80 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 0.26 -0.70 -2.82 1.57 -1.22 -3.07 116.57 110.59 2jsa h LYS 76 Ca 0.00 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2jsa h LYS 76 Cb 0.00 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2jsa h LYS 76 CO 0.00 0.96 0.00 1.28 -0.57 0.00 0.00 179.45 181.12 2jsa n LEU 77 N -4.42 2.39 -4.04 2.94 4.77 -1.18 -4.85 117.00 112.61 2jsa n LEU 77 Ca -0.10 -1.21 -0.33 0.00 -0.03 0.00 0.00 56.01 54.34 2jsa n LEU 77 Cb 0.54 -0.47 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2jsa n LEU 77 CO 0.41 0.38 0.03 0.59 -1.33 0.00 0.00 177.39 177.47 2jsa n ASN 78 N 0.24 -4.00 -3.44 -1.43 4.13 -1.16 -4.87 115.26 104.73 2jsa n ASN 78 Ca 0.10 -0.87 -0.32 0.00 1.68 0.00 0.00 54.58 55.16 2jsa n ASN 78 Cb 0.50 -3.23 -0.04 0.00 -1.54 0.00 0.00 39.78 35.47 2jsa n ASN 78 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 2jsa n GLU 79 N -4.46 3.55 0.00 3.52 0.28 -1.26 -4.68 120.64 117.58 2jsa n GLU 79 Ca 0.06 -4.70 0.00 0.00 -0.16 0.00 0.00 57.16 52.36 2jsa n GLU 79 Cb 0.51 -2.34 0.00 0.00 1.43 0.00 0.00 31.44 31.04 2jsa n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97