#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 0.00 0.00 6.15 2.88 -1.26 -4.78 113.62 116.61 2jsa n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jsa n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2jsa n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jsa n ALA 3 N -0.00 0.00 -0.37 -1.46 0.00 -1.26 -4.97 120.51 112.45 2jsa n ALA 3 Ca 0.00 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.77 2jsa n ALA 3 Cb 0.00 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.05 2jsa n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jsa h LEU 4 N 0.00 0.32 -0.94 0.00 -0.00 -2.02 0.36 115.31 113.02 2jsa h LEU 4 Ca 0.00 0.21 0.12 0.00 -0.00 0.00 0.00 57.88 58.21 2jsa h LEU 4 Cb 0.00 0.21 -0.14 0.00 -0.00 0.00 0.00 40.66 40.73 2jsa h LEU 4 CO 0.00 -0.32 -0.48 0.77 -0.00 0.00 0.00 178.44 178.41 2jsa h SER 5 N 0.07 -1.74 0.09 -0.43 4.64 -1.97 1.22 113.55 115.42 2jsa h SER 5 Ca 0.83 0.31 0.00 0.00 -0.47 0.00 0.00 61.79 62.47 2jsa h SER 5 Cb 2.31 0.83 -0.02 0.00 -0.31 0.00 0.00 62.40 65.21 2jsa h SER 5 CO -0.64 -0.27 -0.22 0.00 -0.87 0.00 0.00 176.83 174.83 2jsa h GLN 7 N -0.34 -0.11 -0.73 0.00 5.75 -1.08 1.57 115.11 120.17 2jsa h GLN 7 Ca -0.01 0.01 0.21 0.00 -0.15 0.00 0.00 58.65 58.71 2jsa h GLN 7 Cb 0.33 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 2jsa h GLN 7 CO -0.09 -0.07 0.67 0.52 -2.65 0.00 0.00 178.83 177.21 2jsa h MET 8 N -0.11 0.00 -0.19 1.69 2.86 0.19 1.46 114.93 120.83 2jsa h MET 8 Ca 0.25 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.81 2jsa h MET 8 Cb 0.56 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 2jsa h MET 8 CO -0.81 0.00 -0.24 0.00 1.06 0.00 0.00 176.91 176.92 2jsa n GLU 10 N -4.15 0.12 -0.03 0.00 2.13 0.50 -2.10 120.64 117.10 2jsa n GLU 10 Ca -0.01 0.02 -0.22 0.00 0.66 0.00 0.00 57.16 57.61 2jsa n GLU 10 Cb 0.37 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.45 2jsa n GLU 10 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2jsa h LEU 11 N 0.00 0.27 0.12 4.31 5.85 -0.77 -2.79 115.31 122.30 2jsa h LEU 11 Ca 0.00 -0.79 -0.01 0.00 0.84 0.00 0.00 57.88 57.93 2jsa h LEU 11 Cb 0.42 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2jsa h LEU 11 CO 0.00 1.70 -0.06 -0.37 -0.34 0.00 0.00 178.44 179.38 2jsa h VAL 12 N -0.35 1.05 0.68 1.05 -1.51 -1.29 -1.99 116.25 113.90 2jsa h VAL 12 Ca -0.38 -0.77 -0.03 0.00 -1.23 0.00 0.00 66.70 64.29 2jsa h VAL 12 Cb 1.75 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 32.44 2jsa h VAL 12 CO -0.02 0.18 -0.37 -0.37 -1.23 0.00 0.00 177.57 175.76 2jsa h VAL 13 N -0.52 0.25 -1.35 7.19 -1.51 -1.62 0.65 116.25 119.33 2jsa h VAL 13 Ca -0.02 0.00 0.39 0.00 -1.23 0.00 0.00 66.70 65.85 2jsa h VAL 13 Cb 0.42 0.25 -0.07 0.00 -2.13 0.00 0.00 31.29 29.76 2jsa h VAL 13 CO 0.03 0.00 0.96 0.50 -1.23 0.00 0.00 177.57 177.82 2jsa h LYS 14 N -0.97 0.04 0.18 5.19 3.11 -1.55 1.80 116.57 124.38 2jsa h LYS 14 Ca -0.09 -0.00 -0.32 0.00 -2.81 0.00 0.00 60.65 57.43 2jsa h LYS 14 Cb 0.76 -0.01 0.01 0.00 -1.00 0.00 0.00 32.23 32.00 2jsa h LYS 14 CO 0.12 0.03 -1.50 0.87 -2.81 0.00 0.00 179.45 176.16 2jsa h LYS 15 N 0.05 0.37 0.13 1.90 1.79 -0.42 -3.02 116.57 117.36 2jsa h LYS 15 Ca 0.67 -0.64 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2jsa h LYS 15 Cb 2.54 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 33.43 2jsa h LYS 15 CO -0.07 1.28 -0.06 -0.92 -1.08 0.00 0.00 179.45 178.60 2jsa h TYR 16 N 0.10 -0.16 -0.93 -1.35 3.20 0.81 0.11 116.97 118.75 2jsa h TYR 16 Ca -0.25 -0.00 0.27 0.00 3.14 0.00 0.00 58.73 61.89 2jsa h TYR 16 Cb 2.07 0.05 -0.14 0.00 1.54 0.00 0.00 36.73 40.25 2jsa h TYR 16 CO 0.09 -0.10 0.37 0.93 -1.64 0.00 0.00 178.16 177.81 2jsa h GLU 17 N -0.42 0.25 -1.73 1.82 4.39 0.10 0.47 114.58 119.46 2jsa h GLU 17 Ca -0.02 -0.02 -0.63 0.00 0.34 0.00 0.00 59.36 59.03 2jsa h GLU 17 Cb 0.13 -0.06 -0.38 0.00 -0.10 0.00 0.00 28.75 28.34 2jsa h GLU 17 CO 0.03 0.17 -0.29 0.41 -1.16 0.00 0.00 179.01 178.17 2jsa n GLY 18 N -1.35 5.87 0.10 -3.84 0.00 -1.14 -4.72 105.19 100.12 2jsa n GLY 18 Ca 0.25 -2.71 -0.21 0.00 0.00 0.00 0.00 46.02 43.36 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 2.77 0.05 -1.82 1.61 0.87 0.16 -3.43 113.55 113.75 2jsa h SER 19 Ca 0.35 -0.61 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2jsa h SER 19 Cb 0.67 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 2jsa h SER 19 CO 0.98 1.48 0.00 0.00 -0.53 0.00 0.00 176.83 178.76 2jsa n ALA 20 N -3.29 -0.27 0.00 6.23 0.00 -1.26 -4.85 120.51 117.08 2jsa n ALA 20 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2jsa n ALA 20 Cb 0.70 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.83 2jsa n ALA 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jsa n ASP 21 N -0.91 0.00 -2.69 0.00 9.92 -1.26 -4.96 116.55 116.65 2jsa n ASP 21 Ca 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.13 2jsa n ASP 21 Cb 0.32 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 40.86 2jsa n ASP 21 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2jsa n LYS 22 N 0.00 -4.80 -3.87 -1.24 4.76 -1.26 -5.00 118.16 106.74 2jsa n LYS 22 Ca 0.00 0.59 -0.36 0.00 -2.87 0.00 0.00 58.31 55.67 2jsa n LYS 22 Cb 0.00 -4.85 -0.13 0.00 -1.84 0.00 0.00 35.03 28.21 2jsa n LYS 22 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 2jsa s ASP 23 N -3.81 4.89 0.00 4.39 1.47 -1.26 -4.94 116.67 117.42 2jsa s ASP 23 Ca 0.08 -1.12 0.09 0.00 1.18 0.00 0.00 52.55 52.78 2jsa s ASP 23 Cb -0.03 -1.75 0.45 0.00 -0.34 0.00 0.00 42.92 41.24 2jsa s ASP 23 CO 0.51 -0.24 1.23 0.00 0.68 0.00 0.00 175.17 177.35 2jsa n ALA 24 N 4.69 1.54 -0.07 2.11 0.00 -1.26 -0.72 120.51 126.80 2jsa n ALA 24 Ca -0.14 -0.04 -0.09 0.00 0.00 0.00 0.00 53.44 53.18 2jsa n ALA 24 Cb 0.45 -1.15 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 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 0.00 0.48 0.00 2.35 -1.99 -2.86 115.58 113.56 2jsa h ASN 25 Ca 0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 2jsa h ASN 25 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2jsa h ASN 25 CO 0.00 0.89 0.00 0.52 -1.65 0.00 0.00 177.43 177.19 2jsa n VAL 26 N -4.62 0.45 0.00 2.81 0.31 -1.02 -2.41 118.33 113.85 2jsa n VAL 26 Ca -0.11 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2jsa n VAL 26 Cb 0.32 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 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 -1.35 0.00 -0.37 2.52 5.41 0.11 -2.57 119.36 123.11 2jsa n ILE 27 Ca 0.08 0.18 0.31 0.00 1.00 0.00 0.00 62.75 64.32 2jsa n ILE 27 Cb 0.19 -0.76 0.58 0.00 -0.71 0.00 0.00 39.64 38.94 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 0.00 0.12 -0.22 0.38 2.10 -1.61 1.64 116.57 118.99 2jsa h LYS 28 Ca 0.00 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.62 2jsa h LYS 28 Cb 0.00 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.29 2jsa h LYS 28 CO 0.00 0.08 0.04 0.87 -2.00 0.00 0.00 179.45 178.44 2jsa h LYS 29 N 0.13 0.37 -0.35 0.07 1.57 -1.66 -2.96 116.57 113.74 2jsa h LYS 29 Ca 0.81 -0.09 0.08 0.00 -1.87 0.00 0.00 60.65 59.57 2jsa h LYS 29 Cb 2.20 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 34.38 2jsa h LYS 29 CO -0.60 0.50 -0.21 -0.44 -0.57 0.00 0.00 179.45 178.14 2jsa h ASP 30 N 0.18 -0.69 -0.74 0.86 3.32 0.26 -0.82 116.42 118.80 2jsa h ASP 30 Ca 0.07 0.15 0.14 0.00 0.02 0.00 0.00 57.03 57.40 2jsa h ASP 30 Cb 0.30 0.35 -0.14 0.00 0.22 0.00 0.00 39.33 40.07 2jsa h ASP 30 CO 0.00 -0.24 -0.28 0.15 -1.72 0.00 0.00 179.24 177.16 2jsa h PHE 31 N -0.16 -0.70 -0.18 4.55 3.04 -1.08 1.36 116.94 123.76 2jsa h PHE 31 Ca 0.17 0.08 0.00 0.00 3.98 0.00 0.00 57.97 62.20 2jsa h PHE 31 Cb 0.43 0.42 -0.01 0.00 2.56 0.00 0.00 35.95 39.35 2jsa h PHE 31 CO -0.42 -0.36 0.11 0.22 -2.02 0.00 0.00 178.31 175.84 2jsa h ASP 32 N -0.06 0.21 0.08 0.41 1.82 -1.08 -0.49 116.42 117.29 2jsa h ASP 32 Ca 0.32 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.95 2jsa h ASP 32 Cb 0.57 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.53 2jsa h ASP 32 CO -0.78 0.16 -0.04 0.00 -1.61 0.00 0.00 179.24 176.97 2jsa h ALA 33 N 1.88 -0.88 -0.26 -0.78 0.00 0.30 0.20 119.26 119.72 2jsa h ALA 33 Ca 0.07 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2jsa h ALA 33 Cb -0.02 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 2jsa h ALA 33 CO -0.01 -0.87 -0.55 1.49 0.00 0.00 0.00 179.25 179.30 2jsa h GLU 34 N -0.12 -0.48 -0.55 0.00 4.57 -0.89 -0.96 114.58 116.15 2jsa h GLU 34 Ca -0.01 0.03 0.08 0.00 -1.18 0.00 0.00 59.36 58.29 2jsa h GLU 34 Cb 0.08 0.11 -0.10 0.00 -0.16 0.00 0.00 28.75 28.68 2jsa h GLU 34 CO 0.02 -0.32 -0.43 0.00 -1.18 0.00 0.00 179.01 177.09 2jsa n LYS 36 N -5.41 0.00 -0.11 0.00 4.76 0.68 0.25 118.16 118.34 2jsa n LYS 36 Ca 0.01 1.06 -0.19 0.00 -2.87 0.00 0.00 58.31 56.32 2jsa n LYS 36 Cb 0.35 -2.48 -0.07 0.00 -1.84 0.00 0.00 35.03 31.00 2jsa n LYS 36 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2jsa n LYS 37 N -3.82 0.56 -0.28 1.97 5.02 0.53 -2.94 118.16 119.20 2jsa n LYS 37 Ca 0.42 0.26 0.09 0.00 -2.02 0.00 0.00 58.31 57.06 2jsa n LYS 37 Cb 1.95 -1.48 0.24 0.00 -0.02 0.00 0.00 35.03 35.72 2jsa n LYS 37 CO 0.00 0.00 0.00 1.37 -0.52 0.00 0.00 177.40 178.25 2jsa h LEU 38 N -1.00 0.15 -4.32 -0.35 8.10 0.59 -0.95 115.31 117.53 2jsa h LEU 38 Ca -0.35 0.15 -0.60 0.00 0.11 0.00 0.00 57.88 57.19 2jsa h LEU 38 Cb 1.28 0.17 -0.40 0.00 -0.44 0.00 0.00 40.66 41.27 2jsa h LEU 38 CO -0.21 -0.02 -0.48 0.49 -4.11 0.00 0.00 178.44 174.11 2jsa n PHE 39 N -5.11 3.17 0.03 0.17 3.01 0.69 -4.74 117.46 114.68 2jsa n PHE 39 Ca 0.18 -2.77 -0.03 0.00 1.01 0.00 0.00 57.45 55.83 2jsa n PHE 39 Cb 0.54 -0.34 0.21 0.00 -0.01 0.00 0.00 39.48 39.88 2jsa n PHE 39 CO 0.00 0.00 0.00 1.12 1.01 0.00 0.00 176.76 178.89 2jsa h HIS 40 N 2.48 0.50 0.06 1.38 2.07 -1.05 -3.08 115.15 117.51 2jsa h HIS 40 Ca 0.36 -0.11 -0.15 0.00 -2.85 0.00 0.00 60.37 57.63 2jsa h HIS 40 Cb 1.00 -0.12 0.02 0.00 2.57 0.00 0.00 27.41 30.87 2jsa h HIS 40 CO 0.90 0.67 -0.63 1.79 -3.07 0.00 0.00 177.93 177.58 2jsa h THR 41 N 0.39 1.49 -2.57 6.12 1.35 -1.85 -3.46 112.91 114.39 2jsa h THR 41 Ca 0.06 -2.27 -0.60 0.00 -0.55 0.00 0.00 66.41 63.05 2jsa h THR 41 Cb 0.67 2.90 0.12 0.00 -1.73 0.00 0.00 68.15 70.11 2jsa h THR 41 CO 0.05 0.65 -0.00 -0.38 -0.25 0.00 0.00 175.52 175.58 2jsa n ILE 42 N -4.22 2.10 0.00 6.82 5.41 -1.16 -4.97 119.36 123.33 2jsa n ILE 42 Ca -0.12 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.13 2jsa n ILE 42 Cb 0.71 -0.91 0.00 0.00 -0.71 0.00 0.00 39.64 38.74 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 0.51 0.00 0.01 0.38 -0.04 -1.26 -4.27 135.00 130.34 2jsa n PRO 43 Ca 0.10 0.00 0.23 0.00 -0.04 0.00 0.00 63.50 63.79 2jsa n PRO 43 Cb 0.36 -0.06 0.70 0.00 -0.04 0.00 0.00 33.50 34.45 2jsa n PRO 43 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2jsa h PHE 44 N 0.00 0.00 -0.61 0.54 -0.00 -1.96 -2.72 116.94 112.19 2jsa h PHE 44 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.97 58.02 2jsa h PHE 44 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 35.95 35.88 2jsa h PHE 44 CO 0.00 0.00 -0.36 0.41 -0.00 0.00 0.00 178.31 178.36 2jsa n GLY 45 N -1.55 -2.04 0.36 6.09 0.00 -1.26 0.22 105.19 107.02 2jsa n GLY 45 Ca 0.11 0.81 0.01 0.00 0.00 0.00 0.00 46.02 46.95 2jsa n GLY 45 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jsa h THR 46 N 0.00 1.17 0.70 2.61 1.35 -1.66 0.31 112.91 117.39 2jsa h THR 46 Ca 0.10 -0.39 -0.03 0.00 -0.55 0.00 0.00 66.41 65.53 2jsa h THR 46 Cb 0.25 -0.06 0.01 0.00 -1.73 0.00 0.00 68.15 66.61 2jsa h THR 46 CO -0.57 0.21 -0.34 0.03 -0.25 0.00 0.00 175.52 174.60 2jsa h ARG 47 N 1.13 -0.91 -0.97 4.72 3.08 0.22 0.13 114.38 121.78 2jsa h ARG 47 Ca 0.35 0.06 0.11 0.00 0.07 0.00 0.00 59.98 60.56 2jsa h ARG 47 Cb -0.01 0.21 -0.08 0.00 0.08 0.00 0.00 29.97 30.17 2jsa h ARG 47 CO -0.10 -0.58 0.62 1.49 -1.07 0.00 0.00 179.97 180.33 2jsa h GLU 48 N -1.17 0.96 -0.61 0.04 4.22 0.29 0.94 114.58 119.26 2jsa h GLU 48 Ca -0.10 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.25 2jsa h GLU 48 Cb 0.75 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2jsa h GLU 48 CO 0.16 0.63 0.24 0.00 -2.18 0.00 0.00 179.01 177.87 2jsa n ASP 50 N -4.46 0.00 -0.37 0.00 9.92 0.45 -1.42 116.55 120.67 2jsa n ASP 50 Ca 0.04 -0.03 0.04 0.00 -0.53 0.00 0.00 54.79 54.31 2jsa n ASP 50 Cb 0.17 -0.26 0.05 0.00 -0.64 0.00 0.00 41.12 40.43 2jsa n ASP 50 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 2jsa n HIS 51 N -1.26 0.07 -0.12 1.24 -0.00 0.21 -4.56 115.22 110.79 2jsa n HIS 51 Ca 0.09 -0.09 -0.17 0.00 0.46 0.00 0.00 57.72 58.01 2jsa n HIS 51 Cb 0.15 -0.01 -0.11 0.00 -0.12 0.00 0.00 29.99 29.90 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 0.45 0.00 0.25 1.57 9.36 0.56 -4.06 117.16 125.29 2jsa n TYR 52 Ca 0.06 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.42 2jsa n TYR 52 Cb 0.25 -0.91 0.75 0.00 -0.63 0.00 0.00 39.34 38.80 2jsa n TYR 52 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 2jsa h VAL 53 N -0.06 0.00 -2.05 2.97 -1.51 -1.71 -1.94 116.25 111.96 2jsa h VAL 53 Ca -0.53 0.00 -0.53 0.00 -1.23 0.00 0.00 66.70 64.40 2jsa h VAL 53 Cb 1.80 0.61 -0.40 0.00 -2.13 0.00 0.00 31.29 31.17 2jsa h VAL 53 CO -0.10 0.00 -1.05 0.59 -1.23 0.00 0.00 177.57 175.78 2jsa n ASN 54 N -2.56 1.23 0.00 4.19 5.03 -1.26 -4.38 115.26 117.51 2jsa n ASN 54 Ca -0.02 -3.00 0.00 0.00 0.87 0.00 0.00 54.58 52.43 2jsa n ASN 54 Cb 0.19 -0.63 0.00 0.00 -1.02 0.00 0.00 39.78 38.32 2jsa n ASN 54 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2jsa n SER 55 N 0.72 0.00 -0.00 6.41 7.64 -0.89 -4.93 113.62 122.57 2jsa n SER 55 Ca 0.25 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2jsa n SER 55 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 -0.79 1.67 -0.11 1.43 5.02 -0.78 -4.75 118.16 119.86 2jsa n LYS 56 Ca 0.00 -1.06 -0.24 0.00 -2.02 0.00 0.00 58.31 54.98 2jsa n LYS 56 Cb 0.00 -0.78 -0.11 0.00 -0.02 0.00 0.00 35.03 34.11 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 -0.28 1.56 -0.26 -0.18 0.31 -1.12 -2.67 118.33 115.68 2jsa n VAL 57 Ca 0.00 -0.32 0.07 0.00 -0.01 0.00 0.00 64.34 64.07 2jsa n VAL 57 Cb 0.36 -1.85 0.20 0.00 -0.91 0.00 0.00 33.84 31.64 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 -0.71 0.20 0.20 4.52 1.82 -1.85 0.56 116.42 121.15 2jsa h ASP 58 Ca -0.53 0.13 -0.01 0.00 -0.39 0.00 0.00 57.03 56.23 2jsa h ASP 58 Cb 1.61 0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.75 2jsa h ASP 58 CO -0.23 0.04 -0.09 1.55 -1.61 0.00 0.00 179.24 178.89 2jsa h PRO 59 N 0.38 -0.26 -0.54 0.28 0.13 -1.86 -2.60 132.00 127.53 2jsa h PRO 59 Ca 0.44 0.02 0.06 0.00 -0.87 0.00 0.00 66.00 65.65 2jsa h PRO 59 Cb 0.73 0.06 -0.09 0.00 0.13 0.00 0.00 31.00 31.82 2jsa h PRO 59 CO -0.46 0.00 -0.56 0.82 -0.23 0.00 0.00 178.00 177.57 2jsa h ILE 60 N -1.01 0.00 -0.14 -3.56 2.04 -1.26 1.87 117.51 115.46 2jsa h ILE 60 Ca -0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.87 2jsa h ILE 60 Cb 0.38 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2jsa h ILE 60 CO 0.04 0.00 0.22 0.40 0.00 0.00 0.00 178.15 178.82 2jsa h ILE 61 N -0.31 0.28 0.00 -0.67 2.04 -0.01 0.74 117.51 119.58 2jsa h ILE 61 Ca 0.10 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 2jsa h ILE 61 Cb 0.56 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2jsa h ILE 61 CO -0.67 0.00 -0.23 1.12 0.00 0.00 0.00 178.15 178.37 2jsa h HIS 62 N 0.00 0.00 0.02 1.37 2.07 0.33 0.63 115.15 119.57 2jsa h HIS 62 Ca 0.06 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.58 2jsa h HIS 62 Cb 0.51 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.49 2jsa h HIS 62 CO 0.00 0.23 -0.01 0.93 -3.07 0.00 0.00 177.93 176.01 2jsa h GLU 63 N 0.00 -0.03 0.00 5.12 5.08 0.15 -2.58 114.58 122.32 2jsa h GLU 63 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2jsa h GLU 63 Cb 0.61 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2jsa h GLU 63 CO 0.03 0.69 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.47 2jsa h LEU 64 N -0.86 0.00 -0.11 1.33 3.38 -1.42 0.36 115.31 117.98 2jsa h LEU 64 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2jsa h LEU 64 Cb 0.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2jsa h LEU 64 CO 0.01 0.19 -0.01 -0.33 0.09 0.00 0.00 178.44 178.39 2jsa h GLU 65 N 0.00 0.21 0.45 1.13 5.08 -0.90 -3.30 114.58 117.25 2jsa h GLU 65 Ca -0.00 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2jsa h GLU 65 Cb 0.40 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2jsa h GLU 65 CO 0.03 0.48 -0.22 0.78 -1.00 0.00 0.00 179.01 179.08 2jsa h GLY 66 N -0.08 -0.63 0.00 -3.84 0.00 -1.05 -3.47 103.07 94.01 2jsa h GLY 66 Ca 0.03 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2jsa h GLY 66 CO 0.01 -0.23 0.00 0.61 0.00 0.00 0.00 176.54 176.93 2jsa n GLY 67 N -0.53 0.00 3.40 4.60 0.00 -0.40 -5.11 105.19 107.14 2jsa n GLY 67 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 2.84 1.11 2.61 2.01 0.11 -4.97 115.64 119.35 2jsa s THR 68 Ca 0.00 -0.78 -0.13 0.00 0.31 0.00 0.00 61.69 61.09 2jsa s THR 68 Cb 0.00 -2.13 0.25 0.00 0.01 0.00 0.00 72.50 70.63 2jsa s THR 68 CO 0.00 0.57 1.06 0.00 -0.69 0.00 0.00 174.62 175.55 2jsa s ALA 69 N -0.27 0.17 -0.14 7.40 0.00 -1.26 -3.43 121.76 124.23 2jsa s ALA 69 Ca 0.01 -0.34 0.27 0.00 0.00 0.00 0.00 51.96 51.91 2jsa s ALA 69 Cb -0.13 -3.15 0.83 0.00 0.00 0.00 0.00 23.12 20.67 2jsa s ALA 69 CO 0.03 -3.43 1.78 -1.00 0.00 0.00 0.00 175.76 173.14 2jsa h PRO 70 N -2.34 0.00 -0.00 0.00 0.13 -1.98 -0.47 132.00 127.33 2jsa h PRO 70 Ca -0.58 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2jsa h PRO 70 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2jsa h PRO 70 CO 0.53 0.04 -0.58 0.36 -0.23 0.00 0.00 178.00 178.12 2jsa n LYS 71 N -3.12 0.44 -0.10 0.86 2.85 -1.26 -4.08 118.16 113.75 2jsa n LYS 71 Ca 0.02 -0.32 -0.16 0.00 -1.05 0.00 0.00 58.31 56.80 2jsa n LYS 71 Cb 0.43 -1.49 -0.13 0.00 -0.65 0.00 0.00 35.03 33.19 2jsa n LYS 71 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2jsa n ASP 72 N -1.00 1.56 -0.06 -5.58 9.92 -0.99 -4.42 116.55 115.97 2jsa n ASP 72 Ca 0.07 -0.03 -0.09 0.00 -0.53 0.00 0.00 54.79 54.22 2jsa n ASP 72 Cb 0.36 -0.19 -0.02 0.00 -0.64 0.00 0.00 41.12 40.63 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 0.01 0.29 -0.19 2.53 2.07 -1.24 -0.64 116.25 119.08 2jsa h VAL 73 Ca -0.54 0.00 -0.45 0.00 0.82 0.00 0.00 66.70 66.53 2jsa h VAL 73 Cb 2.00 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 2jsa h VAL 73 CO -0.03 0.00 1.61 0.00 0.02 0.00 0.00 177.57 179.17 2jsa n THR 75 N 2.73 0.00 0.10 0.00 5.66 -0.26 -4.25 114.28 118.26 2jsa n THR 75 Ca 0.59 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.60 2jsa n THR 75 Cb 0.56 -0.36 -0.02 0.00 -1.55 0.00 0.00 70.33 68.95 2jsa n THR 75 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 2jsa h LYS 76 N 0.00 0.00 0.00 1.09 2.10 -1.58 -3.08 116.57 115.10 2jsa h LYS 76 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2jsa h LYS 76 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2jsa h LYS 76 CO 0.00 0.50 0.00 1.28 -2.00 0.00 0.00 179.45 179.23 2jsa n LEU 77 N -3.15 0.00 -1.00 7.07 4.77 -1.14 -4.82 117.00 118.74 2jsa n LEU 77 Ca -0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 2jsa n LEU 77 Cb 0.79 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.83 2jsa n LEU 77 CO 0.42 0.00 -0.11 -3.20 -1.33 0.00 0.00 177.39 173.17 2jsa n ASN 78 N -0.94 -4.46 -3.41 -1.43 2.85 -1.16 -4.82 115.26 101.89 2jsa n ASN 78 Ca 0.18 0.28 -0.41 0.00 -0.11 0.00 0.00 54.58 54.52 2jsa n ASN 78 Cb 0.08 -3.59 0.03 0.00 1.24 0.00 0.00 39.78 37.54 2jsa n ASN 78 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 2jsa n GLU 79 N -1.16 4.60 0.00 1.20 -0.00 -1.26 -4.89 120.64 119.13 2jsa n GLU 79 Ca -0.11 -4.29 0.00 0.00 -0.00 0.00 0.00 57.16 52.76 2jsa n GLU 79 Cb 0.49 -2.41 0.00 0.00 -0.00 0.00 0.00 31.44 29.52 2jsa n GLU 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13