#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsa s SER 2 N 0.00 5.52 0.00 2.89 0.01 -1.26 -4.56 113.70 116.30 2jsa s SER 2 Ca 0.00 0.78 0.00 0.00 1.31 0.00 0.00 55.95 58.04 2jsa s SER 2 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2jsa s SER 2 CO 0.00 -2.10 0.00 0.00 0.41 0.00 0.00 173.24 171.55 2jsa n ALA 3 N 11.77 0.00 0.22 1.44 0.00 -1.26 -4.96 120.51 127.72 2jsa n ALA 3 Ca 0.22 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.74 2jsa n ALA 3 Cb 0.50 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.35 2jsa n ALA 3 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2jsa n LEU 4 N 0.00 0.39 -0.02 0.00 -0.00 -1.26 -1.89 117.00 114.22 2jsa n LEU 4 Ca 0.00 0.65 -0.12 0.00 -0.00 0.00 0.00 56.01 56.54 2jsa n LEU 4 Cb 0.00 -0.66 -0.08 0.00 -0.00 0.00 0.00 43.42 42.68 2jsa n LEU 4 CO 0.00 -0.68 0.72 -1.28 -0.00 0.00 0.00 177.39 176.14 2jsa h SER 5 N 0.00 0.10 0.62 1.45 0.87 -1.93 -1.60 113.55 113.06 2jsa h SER 5 Ca 0.00 -0.34 -0.02 0.00 -1.23 0.00 0.00 61.79 60.20 2jsa h SER 5 Cb 0.11 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2jsa h SER 5 CO 0.00 0.41 -0.45 0.00 -0.53 0.00 0.00 176.83 176.26 2jsa h GLN 7 N -1.03 -0.05 -1.15 0.00 4.20 -1.57 1.10 115.11 116.62 2jsa h GLN 7 Ca -0.08 0.00 0.32 0.00 0.06 0.00 0.00 58.65 58.96 2jsa h GLN 7 Cb 0.86 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.57 2jsa h GLN 7 CO 0.03 -0.03 0.77 0.52 -0.67 0.00 0.00 178.83 179.45 2jsa h MET 8 N -0.05 0.20 -0.65 1.46 2.86 -0.86 1.40 114.93 119.28 2jsa h MET 8 Ca 0.34 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.92 2jsa h MET 8 Cb 0.58 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 2jsa h MET 8 CO -0.82 0.13 0.23 0.00 1.06 0.00 0.00 176.91 177.51 2jsa n GLU 10 N -4.29 0.30 -0.03 0.00 2.13 0.47 -1.50 120.64 117.72 2jsa n GLU 10 Ca 0.05 0.08 -0.20 0.00 0.66 0.00 0.00 57.16 57.76 2jsa n GLU 10 Cb 0.20 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.27 2jsa n GLU 10 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2jsa n LEU 11 N -1.30 2.60 -0.03 4.31 7.94 0.20 -2.68 117.00 128.04 2jsa n LEU 11 Ca 0.10 0.13 -0.14 0.00 -1.11 0.00 0.00 56.01 54.98 2jsa n LEU 11 Cb 0.18 -0.98 -0.10 0.00 0.53 0.00 0.00 43.42 43.05 2jsa n LEU 11 CO 0.17 0.85 0.47 -0.37 -1.11 0.00 0.00 177.39 177.40 2jsa h VAL 12 N 0.05 1.47 0.79 1.96 -1.51 -1.07 -2.55 116.25 115.40 2jsa h VAL 12 Ca -0.46 -1.70 -0.04 0.00 -1.23 0.00 0.00 66.70 63.27 2jsa h VAL 12 Cb 2.00 2.47 0.01 0.00 -2.13 0.00 0.00 31.29 33.64 2jsa h VAL 12 CO 0.04 0.47 -0.38 -0.37 -1.23 0.00 0.00 177.57 176.11 2jsa h VAL 13 N -0.36 0.03 -1.24 7.19 -1.51 -1.47 0.46 116.25 119.36 2jsa h VAL 13 Ca -0.02 -0.21 0.39 0.00 -1.23 0.00 0.00 66.70 65.63 2jsa h VAL 13 Cb 0.88 0.04 -0.12 0.00 -2.13 0.00 0.00 31.29 29.96 2jsa h VAL 13 CO 0.04 0.00 0.79 0.50 -1.23 0.00 0.00 177.57 177.68 2jsa h LYS 14 N -1.27 0.16 0.08 5.19 3.64 -1.63 2.14 116.57 124.87 2jsa h LYS 14 Ca -0.11 -0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 58.99 2jsa h LYS 14 Cb 0.82 -0.04 0.02 0.00 -0.41 0.00 0.00 32.23 32.62 2jsa h LYS 14 CO 0.18 0.11 -1.15 0.87 -2.27 0.00 0.00 179.45 177.19 2jsa h LYS 15 N 0.16 0.55 0.00 1.90 1.79 -1.09 -2.86 116.57 117.02 2jsa h LYS 15 Ca 0.76 -0.69 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2jsa h LYS 15 Cb 2.28 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 33.15 2jsa h LYS 15 CO -0.40 1.29 0.00 0.98 -1.08 0.00 0.00 179.45 180.24 2jsa n TYR 16 N -3.76 0.00 -0.60 -1.35 9.36 0.61 -0.47 117.16 120.95 2jsa n TYR 16 Ca -0.11 0.00 0.48 0.00 3.32 0.00 0.00 57.90 61.59 2jsa n TYR 16 Cb 0.94 -0.35 0.79 0.00 -0.63 0.00 0.00 39.34 40.09 2jsa n TYR 16 CO 0.00 0.00 0.00 1.05 0.22 0.00 0.00 176.86 178.13 2jsa h GLU 17 N 0.00 0.01 -0.77 2.98 -0.00 0.16 1.44 114.58 118.41 2jsa h GLU 17 Ca 0.00 -0.00 -0.54 0.00 -0.00 0.00 0.00 59.36 58.82 2jsa h GLU 17 Cb 0.00 -0.00 -0.43 0.00 -0.00 0.00 0.00 28.75 28.32 2jsa h GLU 17 CO 0.00 0.01 -0.83 0.41 -0.00 0.00 0.00 179.01 178.60 2jsa n GLY 18 N -1.85 6.25 0.08 1.06 0.00 -1.08 -4.77 105.19 104.87 2jsa n GLY 18 Ca 0.40 -2.62 -0.08 0.00 0.00 0.00 0.00 46.02 43.72 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 2.21 -0.04 0.00 1.61 4.64 0.47 -3.44 113.55 119.00 2jsa h SER 19 Ca 0.35 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2jsa h SER 19 Cb 1.51 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 2jsa h SER 19 CO 0.74 0.68 0.00 0.00 -0.87 0.00 0.00 176.83 177.38 2jsa n ALA 20 N -2.67 0.00 0.05 5.18 0.00 -1.26 -4.72 120.51 117.08 2jsa n ALA 20 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.42 2jsa n ALA 20 Cb 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.64 2jsa n ALA 20 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jsa n ASP 21 N 0.00 2.85 -3.43 0.00 5.75 -1.26 -5.04 116.55 115.42 2jsa n ASP 21 Ca 0.00 -0.10 -0.19 0.00 -0.01 0.00 0.00 54.79 54.49 2jsa n ASP 21 Cb 0.00 1.30 0.03 0.00 -1.03 0.00 0.00 41.12 41.42 2jsa n ASP 21 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2jsa n LYS 22 N -1.68 -1.53 -3.42 0.11 4.76 -1.26 -5.00 118.16 110.14 2jsa n LYS 22 Ca -0.01 0.85 -0.15 0.00 -2.87 0.00 0.00 58.31 56.13 2jsa n LYS 22 Cb 0.18 -4.74 -0.10 0.00 -1.84 0.00 0.00 35.03 28.53 2jsa n LYS 22 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2jsa s ASP 23 N -3.28 1.10 0.25 4.39 -1.08 -1.26 -4.98 116.67 111.81 2jsa s ASP 23 Ca 0.30 -0.24 0.18 0.00 -0.52 0.00 0.00 52.55 52.28 2jsa s ASP 23 Cb -0.08 0.65 0.93 0.00 -1.46 0.00 0.00 42.92 42.96 2jsa s ASP 23 CO 0.81 -0.34 1.55 0.00 0.52 0.00 0.00 175.17 177.71 2jsa n ALA 24 N 5.33 1.14 0.13 3.66 0.00 -1.26 -0.70 120.51 128.81 2jsa n ALA 24 Ca -0.04 0.14 -0.21 0.00 0.00 0.00 0.00 53.44 53.33 2jsa n ALA 24 Cb 0.49 -1.27 -0.15 0.00 0.00 0.00 0.00 19.45 18.52 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 0.71 0.50 0.00 -1.24 -1.99 -0.87 115.58 112.70 2jsa h ASN 25 Ca 0.00 -0.75 0.00 0.00 0.71 0.00 0.00 56.30 56.26 2jsa h ASN 25 Cb 0.06 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 38.88 2jsa h ASN 25 CO 0.00 1.58 -0.27 0.52 -1.29 0.00 0.00 177.43 177.96 2jsa n VAL 26 N -3.67 0.00 -0.07 2.57 0.31 0.12 -2.87 118.33 114.73 2jsa n VAL 26 Ca -0.14 -0.04 -0.06 0.00 -0.01 0.00 0.00 64.34 64.10 2jsa n VAL 26 Cb 1.06 0.07 -0.02 0.00 -0.91 0.00 0.00 33.84 34.04 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 -1.21 1.43 -0.24 2.52 5.41 0.03 -2.46 119.36 124.84 2jsa n ILE 27 Ca 0.09 0.20 0.02 0.00 1.00 0.00 0.00 62.75 64.06 2jsa n ILE 27 Cb 0.32 -2.38 0.14 0.00 -0.71 0.00 0.00 39.64 37.01 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 -1.00 0.50 -0.13 0.38 2.10 -1.30 0.17 116.57 117.28 2jsa h LYS 28 Ca -0.01 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.59 2jsa h LYS 28 Cb 0.60 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2jsa h LYS 28 CO -0.00 0.33 -0.02 0.87 -2.00 0.00 0.00 179.45 178.63 2jsa h LYS 29 N 0.52 0.25 -0.44 0.07 1.57 -1.73 -3.08 116.57 113.73 2jsa h LYS 29 Ca 0.35 -0.09 0.09 0.00 -1.87 0.00 0.00 60.65 59.13 2jsa h LYS 29 Cb 0.43 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.63 2jsa h LYS 29 CO -0.31 0.53 -0.24 -0.44 -0.57 0.00 0.00 179.45 178.42 2jsa h ASP 30 N -0.05 -0.82 -0.70 0.86 3.32 -0.92 -1.18 116.42 116.93 2jsa h ASP 30 Ca 0.03 0.17 0.10 0.00 0.02 0.00 0.00 57.03 57.36 2jsa h ASP 30 Cb 0.43 0.43 -0.12 0.00 0.22 0.00 0.00 39.33 40.29 2jsa h ASP 30 CO 0.01 -0.26 -0.44 0.15 -1.72 0.00 0.00 179.24 176.98 2jsa h PHE 31 N -0.16 -1.30 -1.02 4.55 3.04 -0.64 0.91 116.94 122.33 2jsa h PHE 31 Ca 0.20 0.09 0.25 0.00 3.98 0.00 0.00 57.97 62.49 2jsa h PHE 31 Cb 0.48 0.67 -0.10 0.00 2.56 0.00 0.00 35.95 39.55 2jsa h PHE 31 CO -0.49 -0.41 0.64 0.22 -2.02 0.00 0.00 178.31 176.25 2jsa h ASP 32 N -0.16 0.55 -0.10 0.41 3.58 -1.15 0.58 116.42 120.13 2jsa h ASP 32 Ca 0.21 0.10 0.04 0.00 0.42 0.00 0.00 57.03 57.80 2jsa h ASP 32 Cb 0.55 0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.55 2jsa h ASP 32 CO -0.77 0.12 -0.41 0.00 -2.88 0.00 0.00 179.24 175.30 2jsa h ALA 33 N 1.66 -0.59 0.28 -0.78 0.00 0.14 0.24 119.26 120.21 2jsa h ALA 33 Ca 0.60 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.49 2jsa h ALA 33 Cb 1.34 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.90 2jsa h ALA 33 CO -0.36 -0.92 -0.13 1.49 0.00 0.00 0.00 179.25 179.33 2jsa h GLU 34 N -0.50 -0.36 -1.85 0.00 4.57 -0.59 -2.98 114.58 112.86 2jsa h GLU 34 Ca 0.07 0.02 0.55 0.00 -1.18 0.00 0.00 59.36 58.82 2jsa h GLU 34 Cb 0.63 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 29.21 2jsa h GLU 34 CO -0.38 -0.03 1.32 0.00 -1.18 0.00 0.00 179.01 178.74 2jsa n LYS 36 N -3.98 0.00 0.22 0.00 4.76 0.83 0.09 118.16 120.08 2jsa n LYS 36 Ca 0.43 0.13 0.14 0.00 -2.87 0.00 0.00 58.31 56.13 2jsa n LYS 36 Cb 1.91 -0.90 0.75 0.00 -1.84 0.00 0.00 35.03 34.95 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 0.00 1.97 2.10 -0.90 1.45 116.57 121.19 2jsa h LYS 37 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2jsa h LYS 37 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2jsa h LYS 37 CO 0.00 0.00 0.00 -0.11 -2.00 0.00 0.00 179.45 177.34 2jsa n LEU 38 N -2.50 1.36 -1.83 7.07 7.94 1.21 -4.23 117.00 126.02 2jsa n LEU 38 Ca -0.02 0.30 -0.17 0.00 -1.11 0.00 0.00 56.01 55.01 2jsa n LEU 38 Cb 0.11 -0.25 0.11 0.00 0.53 0.00 0.00 43.42 43.92 2jsa n LEU 38 CO 0.12 -0.25 1.05 0.49 -1.11 0.00 0.00 177.39 177.70 2jsa n PHE 39 N -1.24 2.03 0.00 1.96 3.72 0.11 -4.58 117.46 119.47 2jsa n PHE 39 Ca 0.00 -1.50 -0.14 0.00 -0.05 0.00 0.00 57.45 55.76 2jsa n PHE 39 Cb 0.00 -0.76 -0.08 0.00 -0.94 0.00 0.00 39.48 37.69 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 0.78 -1.47 -1.24 1.38 2.07 0.20 -2.82 115.15 114.04 2jsa h HIS 40 Ca 0.42 0.06 -0.75 0.00 -2.85 0.00 0.00 60.37 57.25 2jsa h HIS 40 Cb 2.06 0.66 -0.14 0.00 2.57 0.00 0.00 27.41 32.56 2jsa h HIS 40 CO 1.04 -0.53 2.13 -2.37 -3.07 0.00 0.00 177.93 175.13 2jsa n THR 41 N -5.44 4.19 -3.76 6.12 5.66 -1.26 -4.78 114.28 115.01 2jsa n THR 41 Ca -0.05 -4.22 -0.13 0.00 -3.05 0.00 0.00 64.05 56.60 2jsa n THR 41 Cb 0.38 -2.41 -0.10 0.00 -1.55 0.00 0.00 70.33 66.65 2jsa n THR 41 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2jsa s ILE 42 N 1.06 0.01 -0.35 1.09 1.01 -1.06 -5.08 121.20 117.88 2jsa s ILE 42 Ca 0.41 -0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.70 2jsa s ILE 42 Cb 0.09 -0.49 0.00 0.00 0.01 0.00 0.00 42.46 42.07 2jsa s ILE 42 CO -0.01 -0.04 1.38 -2.16 0.00 0.00 0.00 174.94 174.11 2jsa s PRO 43 N -0.06 3.74 0.00 2.79 0.04 -1.26 -2.70 135.00 137.54 2jsa s PRO 43 Ca -0.02 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.14 2jsa s PRO 43 Cb -0.03 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.55 2jsa s PRO 43 CO 0.01 -1.36 0.00 1.19 0.04 0.00 0.00 177.00 176.89 2jsa n PHE 44 N 8.28 0.00 0.28 0.56 3.72 -1.26 -4.89 117.46 124.15 2jsa n PHE 44 Ca 0.16 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.42 2jsa n PHE 44 Cb 0.47 -0.41 -0.07 0.00 -0.94 0.00 0.00 39.48 38.53 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 -1.05 2.00 1.37 0.00 -1.78 0.21 103.07 103.83 2jsa h GLY 45 Ca 0.00 0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 2jsa h GLY 45 CO 0.00 -0.35 -0.04 -0.91 0.00 0.00 0.00 176.54 175.24 2jsa h THR 46 N -0.82 0.71 -0.30 4.70 1.35 -1.76 0.30 112.91 117.09 2jsa h THR 46 Ca -0.07 -0.15 -0.07 0.00 -0.55 0.00 0.00 66.41 65.57 2jsa h THR 46 Cb 0.66 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 2jsa h THR 46 CO 0.05 0.04 -0.08 -0.09 -0.25 0.00 0.00 175.52 175.19 2jsa h ARG 47 N 0.00 0.58 -0.07 4.72 9.65 -1.78 -2.87 114.38 124.61 2jsa h ARG 47 Ca -0.00 -0.23 -0.17 0.00 -1.10 0.00 0.00 59.98 58.48 2jsa h ARG 47 Cb 0.09 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 2jsa h ARG 47 CO 0.01 0.78 -0.70 1.49 2.80 0.00 0.00 179.97 184.34 2jsa h GLU 48 N 0.35 0.35 -0.67 0.20 4.22 0.31 -2.13 114.58 117.21 2jsa h GLU 48 Ca 0.08 -0.28 0.13 0.00 0.08 0.00 0.00 59.36 59.36 2jsa h GLU 48 Cb 0.57 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.78 2jsa h GLU 48 CO 0.03 0.92 0.18 0.00 -2.18 0.00 0.00 179.01 177.96 2jsa h ASP 50 N 0.30 0.00 -0.33 0.00 3.58 -1.43 -2.65 116.42 115.89 2jsa h ASP 50 Ca 0.36 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.81 2jsa h ASP 50 Cb 0.56 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2jsa h ASP 50 CO -0.43 0.42 0.00 1.57 -2.88 0.00 0.00 179.24 177.92 2jsa n HIS 51 N -3.33 0.70 -0.02 0.28 -0.00 0.20 -3.89 115.22 109.17 2jsa n HIS 51 Ca 0.01 -0.29 -0.03 0.00 0.46 0.00 0.00 57.72 57.88 2jsa n HIS 51 Cb 0.62 -0.12 -0.01 0.00 -0.12 0.00 0.00 29.99 30.36 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 0.46 0.00 -1.05 1.57 9.36 0.23 -4.73 117.16 123.00 2jsa n TYR 52 Ca 0.13 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 61.14 2jsa n TYR 52 Cb 0.47 -0.13 -0.11 0.00 -0.63 0.00 0.00 39.34 38.94 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 -2.75 3.28 0.00 2.97 0.24 -1.05 -1.92 118.33 119.11 2jsa n VAL 53 Ca -0.06 -1.78 0.00 0.00 -2.04 0.00 0.00 64.34 60.45 2jsa n VAL 53 Cb 0.56 -2.18 0.00 0.00 -1.47 0.00 0.00 33.84 30.75 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 2.95 0.00 0.00 -1.34 5.15 -1.26 -4.90 115.26 115.85 2jsa n ASN 54 Ca 0.53 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.51 2jsa n ASN 54 Cb 0.63 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.88 2jsa n ASN 54 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2jsa n SER 55 N 0.00 0.00 -0.34 1.20 2.88 -1.15 -4.92 113.62 111.29 2jsa n SER 55 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 2jsa n SER 55 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 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 0.00 0.80 -0.03 -1.46 5.02 -0.81 -4.27 118.16 117.41 2jsa n LYS 56 Ca 0.00 -0.95 0.04 0.00 -2.02 0.00 0.00 58.31 55.38 2jsa n LYS 56 Cb 0.00 -1.15 -0.16 0.00 -0.02 0.00 0.00 35.03 33.70 2jsa n LYS 56 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2jsa n VAL 57 N 0.33 0.53 0.02 -0.18 0.31 -1.10 -2.94 118.33 115.30 2jsa n VAL 57 Ca 0.05 -0.63 -0.18 0.00 -0.01 0.00 0.00 64.34 63.57 2jsa n VAL 57 Cb 0.23 -0.20 -0.12 0.00 -0.91 0.00 0.00 33.84 32.84 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 0.50 0.03 4.52 5.19 -1.87 -2.85 116.42 121.95 2jsa h ASP 58 Ca -0.18 -0.83 -0.00 0.00 -0.62 0.00 0.00 57.03 55.40 2jsa h ASP 58 Cb 1.43 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.79 2jsa h ASP 58 CO 0.01 1.27 -0.01 1.55 -3.12 0.00 0.00 179.24 178.94 2jsa h PRO 59 N -0.21 -0.04 -0.69 3.56 0.13 -1.75 -2.35 132.00 130.64 2jsa h PRO 59 Ca -0.10 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.19 2jsa h PRO 59 Cb 1.41 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.44 2jsa h PRO 59 CO 0.13 0.63 0.04 0.82 -0.23 0.00 0.00 178.00 179.39 2jsa h ILE 60 N -0.79 0.44 0.00 -3.56 2.04 -1.69 1.54 117.51 115.49 2jsa h ILE 60 Ca -0.00 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 2jsa h ILE 60 Cb 0.69 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2jsa h ILE 60 CO 0.01 0.03 -0.15 0.40 0.00 0.00 0.00 178.15 178.44 2jsa h ILE 61 N 0.14 0.48 0.00 -0.67 2.04 -1.57 -0.97 117.51 116.96 2jsa h ILE 61 Ca 0.37 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.49 2jsa h ILE 61 Cb 0.64 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2jsa h ILE 61 CO -0.57 0.14 0.00 1.12 0.00 0.00 0.00 178.15 178.84 2jsa h HIS 62 N 0.00 0.00 0.00 1.37 2.07 0.27 0.61 115.15 119.47 2jsa h HIS 62 Ca -0.00 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.41 2jsa h HIS 62 Cb 0.50 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.47 2jsa h HIS 62 CO 0.00 0.00 -0.61 0.93 -3.07 0.00 0.00 177.93 175.18 2jsa h GLU 63 N 0.00 0.00 -0.67 5.12 3.07 0.03 -2.80 114.58 119.33 2jsa h GLU 63 Ca 0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 2jsa h GLU 63 Cb 0.50 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.38 2jsa h GLU 63 CO 0.00 0.89 0.10 -0.07 -1.40 0.00 0.00 179.01 178.53 2jsa h LEU 64 N -1.00 1.08 -0.96 1.33 3.38 -1.46 0.48 115.31 118.16 2jsa h LEU 64 Ca -0.16 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 2jsa h LEU 64 Cb 1.06 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2jsa h LEU 64 CO -0.10 1.07 0.11 1.05 0.09 0.00 0.00 178.44 180.67 2jsa h GLU 65 N 1.05 0.87 0.28 1.13 -0.00 -1.03 -3.16 114.58 113.73 2jsa h GLU 65 Ca 0.20 -0.19 -0.01 0.00 -0.00 0.00 0.00 59.36 59.36 2jsa h GLU 65 Cb 0.46 -0.12 0.00 0.00 -0.00 0.00 0.00 28.75 29.09 2jsa h GLU 65 CO 0.02 0.80 -0.14 0.78 -0.00 0.00 0.00 179.01 180.47 2jsa h GLY 66 N 0.99 -0.39 0.00 1.06 0.00 -1.17 -3.47 103.07 100.09 2jsa h GLY 66 Ca 0.18 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2jsa h GLY 66 CO 0.00 -0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.01 2jsa n GLY 67 N 0.11 0.00 3.24 4.60 0.00 0.12 -5.09 105.19 108.17 2jsa n GLY 67 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 1.73 0.89 2.61 2.01 0.14 -4.98 115.64 118.05 2jsa s THR 68 Ca 0.00 -0.96 -0.11 0.00 0.31 0.00 0.00 61.69 60.93 2jsa s THR 68 Cb 0.00 -1.44 0.12 0.00 0.01 0.00 0.00 72.50 71.19 2jsa s THR 68 CO 0.00 0.47 1.09 0.00 -0.69 0.00 0.00 174.62 175.50 2jsa s ALA 69 N -0.53 1.56 -0.86 7.40 0.00 -1.26 -3.50 121.76 124.56 2jsa s ALA 69 Ca 0.08 0.10 0.23 0.00 0.00 0.00 0.00 51.96 52.37 2jsa s ALA 69 Cb -0.08 -3.25 0.92 0.00 0.00 0.00 0.00 23.12 20.70 2jsa s ALA 69 CO -0.01 -2.37 1.71 -0.35 0.00 0.00 0.00 175.76 174.75 2jsa n PRO 70 N -3.92 0.08 0.00 0.00 -0.04 -1.26 -1.79 135.00 128.08 2jsa n PRO 70 Ca 0.08 0.19 0.10 0.00 -0.04 0.00 0.00 63.50 63.83 2jsa n PRO 70 Cb 0.54 -1.62 0.05 0.00 -0.04 0.00 0.00 33.50 32.43 2jsa n PRO 70 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2jsa n LYS 71 N -1.76 1.71 -0.10 0.54 2.85 -1.26 -4.28 118.16 115.85 2jsa n LYS 71 Ca 0.05 -1.39 -0.13 0.00 -1.05 0.00 0.00 58.31 55.78 2jsa n LYS 71 Cb 0.28 -1.41 -0.11 0.00 -0.65 0.00 0.00 35.03 33.14 2jsa n LYS 71 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2jsa n ASP 72 N 0.63 1.84 0.02 -5.58 -0.08 -0.87 -4.53 116.55 107.98 2jsa n ASP 72 Ca 0.11 -0.08 -0.11 0.00 -1.51 0.00 0.00 54.79 53.19 2jsa n ASP 72 Cb 0.48 0.02 -0.04 0.00 2.34 0.00 0.00 41.12 43.92 2jsa n ASP 72 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2jsa h VAL 73 N 0.00 0.30 0.00 5.18 2.07 -1.53 -2.58 116.25 119.68 2jsa h VAL 73 Ca -0.49 0.00 -0.66 0.00 0.82 0.00 0.00 66.70 66.37 2jsa h VAL 73 Cb 1.85 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2jsa h VAL 73 CO -0.05 0.00 3.21 0.00 0.02 0.00 0.00 177.57 180.75 2jsa n THR 75 N 4.69 0.00 0.38 0.00 5.66 -0.98 -4.24 114.28 119.78 2jsa n THR 75 Ca 0.59 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.71 2jsa n THR 75 Cb 0.32 0.00 0.22 0.00 -1.55 0.00 0.00 70.33 69.32 2jsa n THR 75 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2jsa h LYS 76 N 0.00 0.00 -0.00 1.09 1.57 -1.57 -3.02 116.57 114.64 2jsa h LYS 76 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jsa h LYS 76 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jsa h LYS 76 CO 0.00 0.00 -0.09 1.28 -0.57 0.00 0.00 179.45 180.07 2jsa n LEU 77 N -2.63 0.28 -1.28 2.94 7.99 -1.05 -4.89 117.00 118.37 2jsa n LEU 77 Ca 0.04 0.14 -0.12 0.00 -0.01 0.00 0.00 56.01 56.06 2jsa n LEU 77 Cb 0.49 -0.25 -0.01 0.00 -0.11 0.00 0.00 43.42 43.54 2jsa n LEU 77 CO 0.34 0.05 -0.15 -3.20 -1.51 0.00 0.00 177.39 172.93 2jsa n ASN 78 N -1.14 -3.82 -2.67 -1.43 5.15 -1.14 -4.93 115.26 105.27 2jsa n ASN 78 Ca 0.13 0.02 -0.25 0.00 -0.60 0.00 0.00 54.58 53.88 2jsa n ASN 78 Cb 0.27 -2.97 -0.01 0.00 -0.53 0.00 0.00 39.78 36.54 2jsa n ASN 78 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2jsa n GLU 79 N -2.18 3.12 0.00 1.20 0.28 -1.26 -4.99 120.64 116.81 2jsa n GLU 79 Ca -0.14 -4.50 0.00 0.00 -0.16 0.00 0.00 57.16 52.37 2jsa n GLU 79 Cb 0.58 -2.16 0.00 0.00 1.43 0.00 0.00 31.44 31.29 2jsa n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97