#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtb n ASN 2 N 0.00 0.00 -2.28 1.96 5.15 -1.26 -4.45 115.26 114.37 1jtb n ASN 2 Ca 0.00 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.76 1jtb n ASN 2 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 1jtb n ASN 2 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jtb h GLY 4 N 3.79 -1.15 -1.03 0.00 0.00 -1.99 0.88 103.07 103.56 1jtb h GLY 4 Ca 0.34 0.46 0.42 0.00 0.00 0.00 0.00 47.33 48.54 1jtb h GLY 4 CO 0.74 -0.41 0.66 1.46 0.00 0.00 0.00 176.54 178.99 1jtb h GLN 5 N -1.07 0.05 0.25 4.80 1.08 -1.98 0.43 115.11 118.67 1jtb h GLN 5 Ca -0.10 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 1jtb h GLN 5 Cb 0.85 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 1jtb h GLN 5 CO 0.12 0.03 -0.12 0.28 -0.95 0.00 0.00 178.83 178.20 1jtb h VAL 6 N 0.05 0.00 0.00 -0.54 2.07 -1.63 0.44 116.25 116.64 1jtb h VAL 6 Ca 0.84 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 68.07 1jtb h VAL 6 Cb 2.34 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1jtb h VAL 6 CO -0.64 0.00 0.44 -2.24 0.02 0.00 0.00 177.57 175.15 1jtb h ASP 7 N -0.62 0.00 0.07 0.57 3.04 0.18 0.52 116.42 120.18 1jtb h ASP 7 Ca -0.03 0.00 -0.30 0.00 -3.24 0.00 0.00 57.03 53.46 1jtb h ASP 7 Cb 0.25 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.52 1jtb h ASP 7 CO 0.06 0.00 -1.62 -1.28 -2.04 0.00 0.00 179.24 174.35 1jtb h SER 8 N 0.00 0.23 -0.16 4.15 0.87 -0.02 -3.29 113.55 115.33 1jtb h SER 8 Ca 0.00 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 59.81 1jtb h SER 8 Cb 0.88 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1jtb h SER 8 CO 0.00 1.68 0.00 0.29 -0.53 0.00 0.00 176.83 178.27 1jtb n LYS 9 N -3.94 1.63 0.00 2.24 4.76 0.12 -4.65 118.16 118.32 1jtb n LYS 9 Ca -0.31 -1.53 0.00 0.00 -2.87 0.00 0.00 58.31 53.60 1jtb n LYS 9 Cb 0.87 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.86 1jtb n LYS 9 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1jtb n MET 10 N 0.46 1.80 -0.06 1.97 2.81 0.17 -0.12 117.12 124.15 1jtb n MET 10 Ca 0.08 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.95 1jtb n MET 10 Cb 0.32 -0.89 -0.01 0.00 -0.71 0.00 0.00 33.22 31.92 1jtb n MET 10 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1jtb n LYS 11 N -1.94 -0.06 0.33 0.03 3.00 -0.78 0.99 118.16 119.74 1jtb n LYS 11 Ca 0.00 0.52 0.13 0.00 -0.00 0.00 0.00 58.31 58.97 1jtb n LYS 11 Cb 0.39 -0.78 0.70 0.00 0.00 0.00 0.00 35.03 35.35 1jtb n LYS 11 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1jtb h PRO 12 N 0.00 0.00 0.02 1.64 0.13 -1.86 0.32 132.00 132.24 1jtb h PRO 12 Ca 0.02 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.82 1jtb h PRO 12 Cb 0.05 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.13 1jtb h PRO 12 CO -0.13 0.00 -2.05 0.00 -0.23 0.00 0.00 178.00 175.60 1jtb h LEU 14 N 0.01 -0.08 -0.52 0.00 5.85 0.45 0.25 115.31 121.26 1jtb h LEU 14 Ca -0.42 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.11 1jtb h LEU 14 Cb 2.09 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 43.04 1jtb h LEU 14 CO 0.05 0.24 -0.44 0.71 -0.34 0.00 0.00 178.44 178.66 1jtb h THR 15 N -0.40 0.09 -0.04 1.05 1.35 -1.38 -0.31 112.91 113.26 1jtb h THR 15 Ca -0.01 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.86 1jtb h THR 15 Cb 0.35 0.09 -0.02 0.00 -1.73 0.00 0.00 68.15 66.84 1jtb h THR 15 CO 0.02 0.00 -0.17 0.22 -0.25 0.00 0.00 175.52 175.33 1jtb h TYR 16 N -0.26 -0.52 -0.83 4.73 3.20 -0.70 0.33 116.97 122.92 1jtb h TYR 16 Ca 0.16 0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.25 1jtb h TYR 16 Cb 0.57 0.23 -0.12 0.00 1.54 0.00 0.00 36.73 38.95 1jtb h TYR 16 CO -0.69 -0.18 0.29 -0.39 -1.64 0.00 0.00 178.16 175.56 1jtb h VAL 17 N -0.19 0.47 -0.11 1.81 -1.51 0.56 -0.43 116.25 116.85 1jtb h VAL 17 Ca 0.01 -0.11 -0.21 0.00 -1.23 0.00 0.00 66.70 65.16 1jtb h VAL 17 Cb 0.22 0.11 0.00 0.00 -2.13 0.00 0.00 31.29 29.49 1jtb h VAL 17 CO -0.14 0.06 -0.77 0.06 -1.23 0.00 0.00 177.57 175.56 1jtb h GLN 18 N 0.33 0.61 0.00 5.19 3.07 -0.89 0.40 115.11 123.82 1jtb h GLN 18 Ca 0.50 -0.50 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1jtb h GLN 18 Cb 0.92 0.11 0.00 0.00 0.08 0.00 0.00 27.48 28.59 1jtb h GLN 18 CO -0.54 1.12 0.00 0.41 0.09 0.00 0.00 178.83 179.92 1jtb n GLY 19 N 0.65 0.92 2.12 0.06 0.00 0.34 -3.78 105.19 105.49 1jtb n GLY 19 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 1jtb n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jtb n GLY 20 N 0.00 3.63 3.34 -0.02 0.00 0.89 -4.99 105.19 108.03 1jtb n GLY 20 Ca 0.00 -2.29 -0.61 0.00 0.00 0.00 0.00 46.02 43.12 1jtb n GLY 20 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jtb n PRO 21 N -0.84 0.03 0.00 1.61 -0.02 -1.26 -4.06 135.00 130.46 1jtb n PRO 21 Ca -0.10 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1jtb n PRO 21 Cb 0.37 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 1jtb n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jtb n GLY 22 N 6.91 0.95 0.20 -1.23 0.00 -1.26 -4.30 105.19 106.47 1jtb n GLY 22 Ca 0.51 -1.91 0.14 0.00 0.00 0.00 0.00 46.02 44.76 1jtb n GLY 22 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jtb h PRO 23 N 0.00 0.00 -4.87 1.61 0.11 -1.86 -3.45 132.00 123.54 1jtb h PRO 23 Ca 0.00 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.88 1jtb h PRO 23 Cb 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 30.97 1jtb h PRO 23 CO 0.00 0.00 -0.33 0.43 -0.21 0.00 0.00 178.00 177.89 1jtb n SER 24 N -2.76 -0.98 0.00 -2.05 7.64 -1.26 -0.64 113.62 113.57 1jtb n SER 24 Ca 0.02 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.61 1jtb n SER 24 Cb 0.36 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1jtb n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jtb n GLY 25 N -0.63 1.58 0.32 0.23 0.00 -1.26 -4.58 105.19 100.86 1jtb n GLY 25 Ca 0.04 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.15 1jtb n GLY 25 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1jtb h GLU 26 N 0.00 0.06 0.47 1.61 4.11 -1.95 0.16 114.58 119.05 1jtb h GLU 26 Ca 0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 1jtb h GLU 26 Cb 0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1jtb h GLU 26 CO 0.00 0.04 -0.51 0.00 0.07 0.00 0.00 179.01 178.61 1jtb h ASN 29 N -0.32 0.49 0.05 0.00 -1.07 -0.86 0.21 115.58 114.07 1jtb h ASN 29 Ca -0.00 -0.25 0.02 0.00 0.07 0.00 0.00 56.30 56.14 1jtb h ASN 29 Cb 0.30 -0.13 -0.05 0.00 -2.07 0.00 0.00 38.32 36.37 1jtb h ASN 29 CO -0.02 0.61 -0.53 1.23 0.07 0.00 0.00 177.43 178.78 1jtb h GLY 30 N 0.34 -1.13 -0.35 9.14 0.00 -0.06 0.20 103.07 111.22 1jtb h GLY 30 Ca 0.10 0.65 0.08 0.00 0.00 0.00 0.00 47.33 48.16 1jtb h GLY 30 CO 0.00 -0.25 -0.40 -2.08 0.00 0.00 0.00 176.54 173.82 1jtb h VAL 31 N -0.71 0.13 0.18 4.60 2.07 0.26 0.34 116.25 123.12 1jtb h VAL 31 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1jtb h VAL 31 Cb 0.74 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1jtb h VAL 31 CO -0.33 0.00 -0.37 -0.09 0.02 0.00 0.00 177.57 176.80 1jtb h ARG 32 N -0.26 -0.58 -0.06 1.57 1.12 0.07 0.20 114.38 116.44 1jtb h ARG 32 Ca 0.17 0.04 0.04 0.00 -1.11 0.00 0.00 59.98 59.11 1jtb h ARG 32 Cb 0.57 0.13 -0.06 0.00 -0.01 0.00 0.00 29.97 30.60 1jtb h ARG 32 CO -0.62 -0.38 -0.38 -0.44 -3.11 0.00 0.00 179.97 175.04 1jtb h ASP 33 N -0.60 -1.17 -0.79 -3.80 3.32 -0.35 -0.71 116.42 112.33 1jtb h ASP 33 Ca -0.02 0.15 0.12 0.00 0.02 0.00 0.00 57.03 57.31 1jtb h ASP 33 Cb 0.57 0.47 -0.13 0.00 0.22 0.00 0.00 39.33 40.46 1jtb h ASP 33 CO -0.15 -0.42 -0.38 0.25 -1.72 0.00 0.00 179.24 176.82 1jtb h LEU 34 N -0.50 -1.36 -1.24 1.55 7.12 0.21 1.30 115.31 122.39 1jtb h LEU 34 Ca 0.07 0.27 0.21 0.00 0.13 0.00 0.00 57.88 58.55 1jtb h LEU 34 Cb 0.61 0.69 -0.09 0.00 -0.53 0.00 0.00 40.66 41.34 1jtb h LEU 34 CO -0.34 -0.30 0.62 -0.74 -0.13 0.00 0.00 178.44 177.55 1jtb h HIS 35 N -0.09 0.82 -0.40 1.25 2.76 0.81 0.34 115.15 120.63 1jtb h HIS 35 Ca 0.28 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 1jtb h HIS 35 Cb 0.57 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.28 1jtb h HIS 35 CO -0.77 0.18 0.00 -1.71 -1.30 0.00 0.00 177.93 174.33 1jtb n ASN 36 N -4.65 3.27 -0.05 3.26 4.05 0.36 -4.47 115.26 117.03 1jtb n ASN 36 Ca 0.22 -1.96 -0.10 0.00 0.45 0.00 0.00 54.58 53.19 1jtb n ASN 36 Cb 0.66 -0.26 -0.04 0.00 1.23 0.00 0.00 39.78 41.37 1jtb n ASN 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1jtb n GLN 37 N 1.35 0.23 -0.31 1.20 1.13 0.35 -4.70 117.38 116.63 1jtb n GLN 37 Ca 0.19 0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 1jtb n GLN 37 Cb 0.57 -0.97 0.00 0.00 0.11 0.00 0.00 30.24 29.95 1jtb n GLN 37 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jtb n ALA 38 N -3.25 3.36 -2.32 -1.58 0.00 0.94 -4.03 120.51 113.63 1jtb n ALA 38 Ca -0.19 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 52.99 1jtb n ALA 38 Cb 0.66 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 19.07 1jtb n ALA 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jtb n GLN 39 N 1.20 3.45 -0.02 0.00 6.02 -1.26 -3.28 117.38 123.49 1jtb n GLN 39 Ca 0.00 -4.36 -0.06 0.00 -0.01 0.00 0.00 57.00 52.57 1jtb n GLN 39 Cb 0.47 -2.24 -0.02 0.00 1.02 0.00 0.00 30.24 29.47 1jtb n GLN 39 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1jtb n SER 40 N -0.56 0.74 0.00 1.08 2.88 -1.26 -5.07 113.62 111.44 1jtb n SER 40 Ca 0.40 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1jtb n SER 40 Cb 0.77 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1jtb n SER 40 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1jtb n SER 41 N -3.44 0.00 -0.33 -3.46 3.41 -1.26 -5.00 113.62 103.54 1jtb n SER 41 Ca -0.10 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.55 1jtb n SER 41 Cb 0.44 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.49 1jtb n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jtb n GLY 42 N 4.40 3.30 0.04 5.00 0.00 -1.26 -4.91 105.19 111.75 1jtb n GLY 42 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 1jtb n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jtb n ASP 43 N -0.28 -0.09 -0.06 1.61 8.00 -1.26 0.46 116.55 124.92 1jtb n ASP 43 Ca 0.09 0.28 -0.07 0.00 0.71 0.00 0.00 54.79 55.79 1jtb n ASP 43 Cb 0.44 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.44 1jtb n ASP 43 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1jtb h ARG 44 N 0.00 0.01 -1.00 -1.24 -0.00 -1.90 0.27 114.38 110.52 1jtb h ARG 44 Ca 0.01 -0.00 0.05 0.00 -0.00 0.00 0.00 59.98 60.04 1jtb h ARG 44 Cb 0.04 -0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 29.94 1jtb h ARG 44 CO -0.08 0.01 0.65 1.96 -0.00 0.00 0.00 179.97 182.51 1jtb h GLN 45 N 0.01 1.20 -0.46 0.08 4.20 -0.34 0.24 115.11 120.02 1jtb h GLN 45 Ca 0.12 -0.07 0.09 0.00 0.06 0.00 0.00 58.65 58.85 1jtb h GLN 45 Cb 0.18 -0.27 -0.07 0.00 0.30 0.00 0.00 27.48 27.62 1jtb h GLN 45 CO -0.26 0.79 0.03 1.15 -0.67 0.00 0.00 178.83 179.88 1jtb h THR 46 N 1.23 0.67 0.50 -0.54 2.02 0.13 -0.20 112.91 116.71 1jtb h THR 46 Ca 0.41 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.53 1jtb h THR 46 Cb 0.07 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1jtb h THR 46 CO -0.15 0.03 -0.38 0.58 0.37 0.00 0.00 175.52 175.98 1jtb h VAL 47 N 0.15 0.23 -0.96 3.16 2.07 0.11 -1.01 116.25 120.01 1jtb h VAL 47 Ca 0.23 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.99 1jtb h VAL 47 Cb 0.33 0.23 -0.18 0.00 -1.52 0.00 0.00 31.29 30.16 1jtb h VAL 47 CO -0.36 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.14 1jtb h ASN 49 N 0.00 0.85 -0.18 0.00 2.35 -0.54 0.19 115.58 118.26 1jtb h ASN 49 Ca 0.53 -0.22 -0.09 0.00 -0.55 0.00 0.00 56.30 55.98 1jtb h ASN 49 Cb 1.00 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.14 1jtb h ASN 49 CO -0.94 0.84 -0.22 0.00 -1.65 0.00 0.00 177.43 175.46 1jtb h LEU 51 N 0.11 -1.31 -0.35 0.00 3.38 -0.13 -1.34 115.31 115.67 1jtb h LEU 51 Ca 0.02 0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1jtb h LEU 51 Cb 0.78 0.54 -0.05 0.00 0.09 0.00 0.00 40.66 42.03 1jtb h LEU 51 CO 0.05 -0.26 -0.19 0.29 0.09 0.00 0.00 178.44 178.42 1jtb n LYS 52 N -4.53 -0.14 -0.17 1.13 4.76 0.65 0.84 118.16 120.70 1jtb n LYS 52 Ca -0.02 0.53 -0.11 0.00 -2.87 0.00 0.00 58.31 55.85 1jtb n LYS 52 Cb 0.23 -0.79 0.01 0.00 -1.84 0.00 0.00 35.03 32.64 1jtb n LYS 52 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1jtb h GLY 53 N 0.00 1.10 0.00 0.72 0.00 -1.28 -1.43 103.07 102.18 1jtb h GLY 53 Ca 0.07 -0.94 -0.04 0.00 0.00 0.00 0.00 47.33 46.41 1jtb h GLY 53 CO -0.34 0.86 -0.24 1.19 0.00 0.00 0.00 176.54 178.02 1jtb h ILE 54 N 0.88 1.31 -0.88 2.60 2.10 -0.22 -3.29 117.51 120.02 1jtb h ILE 54 Ca 0.12 -2.07 0.29 0.00 1.08 0.00 0.00 64.86 64.28 1jtb h ILE 54 Cb 0.76 2.56 -0.16 0.00 -1.09 0.00 0.00 36.82 38.89 1jtb h ILE 54 CO 0.06 0.44 0.19 0.00 -1.08 0.00 0.00 178.15 177.77 1jtb n ALA 55 N -2.81 0.62 0.00 0.18 0.00 0.25 0.33 120.51 119.07 1jtb n ALA 55 Ca -0.12 0.92 0.00 0.00 0.00 0.00 0.00 53.44 54.24 1jtb n ALA 55 Cb 0.44 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1jtb n ALA 55 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1jtb n ARG 56 N -5.16 0.00 -0.59 0.00 3.00 -0.54 -3.08 116.66 110.29 1jtb n ARG 56 Ca 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 58.08 1jtb n ARG 56 Cb 0.85 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.28 1jtb n ARG 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jtb n GLY 57 N -0.71 0.42 0.00 5.14 0.00 -0.57 -5.09 105.19 104.38 1jtb n GLY 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jtb n GLY 57 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1jtb n ILE 58 N 0.00 0.00 0.00 -0.61 5.41 0.15 -4.61 119.36 119.70 1jtb n ILE 58 Ca -0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1jtb n ILE 58 Cb 0.45 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.38 1jtb n ILE 58 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1jtb n HIS 59 N -0.21 -0.05 -2.78 1.39 8.25 -1.26 -4.99 115.22 115.57 1jtb n HIS 59 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1jtb n HIS 59 Cb 0.00 0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.14 1jtb n HIS 59 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1jtb n ASN 60 N -1.05 1.45 -3.92 0.41 5.15 -1.25 -5.08 115.26 110.97 1jtb n ASN 60 Ca 0.00 -2.83 -0.33 0.00 -0.60 0.00 0.00 54.58 50.82 1jtb n ASN 60 Cb 0.00 -0.55 -0.14 0.00 -0.53 0.00 0.00 39.78 38.56 1jtb n ASN 60 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1jtb n LEU 61 N 0.00 -0.04 -4.12 1.20 7.94 -1.26 -4.31 117.00 116.41 1jtb n LEU 61 Ca 0.14 0.04 -0.43 0.00 -1.11 0.00 0.00 56.01 54.64 1jtb n LEU 61 Cb 0.77 -0.74 0.00 0.00 0.53 0.00 0.00 43.42 43.99 1jtb n LEU 61 CO 0.26 -0.75 1.40 -3.20 -1.11 0.00 0.00 177.39 174.00 1jtb n ASN 62 N 8.33 5.56 -0.38 1.96 2.85 0.14 -4.85 115.26 128.88 1jtb n ASN 62 Ca 0.58 -3.15 0.35 0.00 -0.11 0.00 0.00 54.58 52.24 1jtb n ASN 62 Cb 0.04 -1.43 0.62 0.00 1.24 0.00 0.00 39.78 40.25 1jtb n ASN 62 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1jtb h LEU 63 N 7.42 0.29 0.76 1.20 3.38 -1.87 0.41 115.31 126.90 1jtb h LEU 63 Ca 0.29 0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.44 1jtb h LEU 63 Cb 0.72 0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.70 1jtb h LEU 63 CO 1.36 -0.36 -0.37 0.78 0.09 0.00 0.00 178.44 179.94 1jtb h ASN 64 N 0.02 -0.87 -0.87 -0.43 2.35 -1.95 0.25 115.58 114.08 1jtb h ASN 64 Ca 0.85 0.02 0.11 0.00 -0.55 0.00 0.00 56.30 56.73 1jtb h ASN 64 Cb 2.43 0.22 -0.08 0.00 0.05 0.00 0.00 38.32 40.95 1jtb h ASN 64 CO -0.65 -0.59 0.51 -1.13 -1.65 0.00 0.00 177.43 173.92 1jtb h ASN 65 N -1.07 0.72 -0.34 5.81 -0.73 -0.66 0.05 115.58 119.36 1jtb h ASN 65 Ca -0.10 0.05 0.03 0.00 1.87 0.00 0.00 56.30 58.15 1jtb h ASN 65 Cb 0.79 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 39.27 1jtb h ASN 65 CO 0.17 0.39 0.14 0.00 -0.37 0.00 0.00 177.43 177.76 1jtb h ALA 66 N 1.49 0.40 0.00 1.57 0.00 -0.45 0.91 119.26 123.18 1jtb h ALA 66 Ca 0.43 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1jtb h ALA 66 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1jtb h ALA 66 CO -0.26 -0.25 0.04 0.00 0.00 0.00 0.00 179.25 178.77 1jtb n ALA 67 N -2.29 0.94 1.01 0.00 0.00 0.84 0.32 120.51 121.33 1jtb n ALA 67 Ca 0.00 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.57 1jtb n ALA 67 Cb 0.10 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.59 1jtb n ALA 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jtb n SER 68 N -1.55 1.00 0.28 0.00 2.88 0.29 -4.29 113.62 112.23 1jtb n SER 68 Ca -0.00 -0.88 -0.15 0.00 -1.33 0.00 0.00 58.87 56.52 1jtb n SER 68 Cb 0.04 0.72 -0.08 0.00 -0.75 0.00 0.00 64.21 64.14 1jtb n SER 68 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1jtb h ILE 69 N 0.34 0.35 -0.73 2.46 2.04 0.11 -1.77 117.51 120.32 1jtb h ILE 69 Ca 0.00 -0.37 0.15 0.00 1.00 0.00 0.00 64.86 65.64 1jtb h ILE 69 Cb 0.53 0.48 -0.10 0.00 -0.74 0.00 0.00 36.82 36.99 1jtb h ILE 69 CO 0.00 0.05 0.22 -0.65 0.00 0.00 0.00 178.15 177.77 1jtb h PRO 70 N -0.98 0.32 0.43 2.37 0.11 -1.75 0.20 132.00 132.72 1jtb h PRO 70 Ca -0.07 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 1jtb h PRO 70 Cb 0.62 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1jtb h PRO 70 CO 0.12 0.21 -0.21 0.77 -0.21 0.00 0.00 178.00 178.68 1jtb h SER 71 N 0.33 -0.49 -0.97 -2.05 0.02 -1.80 -0.74 113.55 107.85 1jtb h SER 71 Ca 0.40 0.02 0.22 0.00 -0.84 0.00 0.00 61.79 61.59 1jtb h SER 71 Cb 0.65 0.13 -0.08 0.00 0.14 0.00 0.00 62.40 63.24 1jtb h SER 71 CO -0.46 -0.20 0.63 0.50 -1.14 0.00 0.00 176.83 176.16 1jtb h LYS 72 N -0.89 0.47 -0.65 3.45 3.64 -0.82 0.32 116.57 122.08 1jtb h LYS 72 Ca -0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1jtb h LYS 72 Cb 0.45 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1jtb h LYS 72 CO 0.10 0.31 0.00 0.00 -2.27 0.00 0.00 179.45 177.59 1jtb n ASN 74 N 1.25 -0.07 -0.57 0.00 5.15 0.11 -4.73 115.26 116.41 1jtb n ASN 74 Ca 0.22 -0.02 0.05 0.00 -0.60 0.00 0.00 54.58 54.23 1jtb n ASN 74 Cb 0.66 -0.03 0.15 0.00 -0.53 0.00 0.00 39.78 40.02 1jtb n ASN 74 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1jtb n VAL 75 N -1.00 1.20 -3.61 3.44 3.14 -0.61 -5.02 118.33 115.88 1jtb n VAL 75 Ca -0.00 -1.15 -0.18 0.00 -2.96 0.00 0.00 64.34 60.05 1jtb n VAL 75 Cb 0.01 0.38 0.01 0.00 -1.06 0.00 0.00 33.84 33.17 1jtb n VAL 75 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1jtb n ASN 76 N 0.18 -1.92 -3.77 6.55 2.04 -1.25 -4.92 115.26 112.18 1jtb n ASN 76 Ca 0.11 -0.53 -0.28 0.00 -0.44 0.00 0.00 54.58 53.44 1jtb n ASN 76 Cb 0.47 -0.70 -0.11 0.00 -2.53 0.00 0.00 39.78 36.91 1jtb n ASN 76 CO 0.00 0.00 0.00 1.33 -0.44 0.00 0.00 177.26 178.15 1jtb n VAL 77 N -2.32 1.47 -0.27 3.53 0.24 -1.26 -4.87 118.33 114.84 1jtb n VAL 77 Ca -0.08 -4.79 -0.13 0.00 -2.04 0.00 0.00 64.34 57.30 1jtb n VAL 77 Cb 0.27 -2.12 -0.03 0.00 -1.47 0.00 0.00 33.84 30.48 1jtb n VAL 77 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1jtb n PRO 78 N 1.84 0.00 -4.31 7.34 -0.04 -1.26 -4.78 135.00 133.79 1jtb n PRO 78 Ca 0.22 -0.55 -0.20 0.00 -0.04 0.00 0.00 63.50 62.93 1jtb n PRO 78 Cb 0.37 -1.95 -0.16 0.00 -0.04 0.00 0.00 33.50 31.72 1jtb n PRO 78 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1jtb s TYR 79 N 4.94 0.91 0.00 0.54 6.14 -1.26 -4.92 117.35 123.70 1jtb s TYR 79 Ca 0.20 -0.25 0.00 0.00 0.64 0.00 0.00 57.07 57.65 1jtb s TYR 79 Cb 0.04 -0.70 0.00 0.00 0.42 0.00 0.00 41.96 41.72 1jtb s TYR 79 CO 0.10 -0.15 0.00 2.41 0.64 0.00 0.00 175.55 178.55 1jtb n THR 80 N 3.65 0.00 -2.07 4.34 -1.04 -1.16 -4.84 114.28 113.16 1jtb n THR 80 Ca -0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1jtb n THR 80 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1jtb n THR 80 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1jtb n ILE 81 N 0.00 0.00 -4.35 12.58 2.08 -1.26 -4.88 119.36 123.53 1jtb n ILE 81 Ca 0.00 0.00 -0.24 0.00 0.56 0.00 0.00 62.75 63.07 1jtb n ILE 81 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 38.81 1jtb n ILE 81 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 1jtb s SER 82 N -2.59 4.19 0.00 4.38 0.01 -1.26 -4.99 113.70 113.44 1jtb s SER 82 Ca 0.00 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.50 1jtb s SER 82 Cb 0.00 -0.65 0.00 0.00 0.21 0.00 0.00 66.02 65.58 1jtb s SER 82 CO 0.00 0.03 0.84 -0.81 0.41 0.00 0.00 173.24 173.70 1jtb n PRO 83 N -0.68 0.00 -1.65 12.44 -0.04 -1.26 -4.29 135.00 139.52 1jtb n PRO 83 Ca -0.07 0.37 -0.35 0.00 -0.04 0.00 0.00 63.50 63.42 1jtb n PRO 83 Cb 0.59 -1.35 0.02 0.00 -0.04 0.00 0.00 33.50 32.72 1jtb n PRO 83 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1jtb n ASP 84 N -1.60 7.26 -1.33 3.54 -0.08 -1.26 -4.84 116.55 118.24 1jtb n ASP 84 Ca 0.00 -3.64 -0.18 0.00 -1.51 0.00 0.00 54.79 49.46 1jtb n ASP 84 Cb 0.00 -1.09 -0.03 0.00 2.34 0.00 0.00 41.12 42.34 1jtb n ASP 84 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jtb n ILE 85 N -0.23 0.00 -3.89 5.18 3.06 -1.26 -4.96 119.36 117.26 1jtb n ILE 85 Ca 0.53 0.00 -0.34 0.00 -2.50 0.00 0.00 62.75 60.44 1jtb n ILE 85 Cb 0.40 -0.08 -0.05 0.00 0.54 0.00 0.00 39.64 40.45 1jtb n ILE 85 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 1jtb s ASP 86 N 0.50 6.39 -0.72 9.51 -4.77 -1.26 -4.82 116.67 121.50 1jtb s ASP 86 Ca 0.28 0.38 -0.03 0.00 -3.30 0.00 0.00 52.55 49.89 1jtb s ASP 86 Cb -0.40 -2.02 0.21 0.00 -1.09 0.00 0.00 42.92 39.62 1jtb s ASP 86 CO 0.20 0.28 2.35 0.00 0.70 0.00 0.00 175.17 178.71 1jtb n SER 88 N 0.22 2.95 -3.56 0.00 2.88 -1.26 -4.76 113.62 110.09 1jtb n SER 88 Ca 0.52 -0.05 -0.39 0.00 -1.33 0.00 0.00 58.87 57.62 1jtb n SER 88 Cb 0.37 0.03 0.01 0.00 -0.75 0.00 0.00 64.21 63.87 1jtb n SER 88 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1jtb n ARG 89 N -2.74 5.09 -4.31 -1.46 0.00 -1.26 -4.95 116.66 107.03 1jtb n ARG 89 Ca -0.20 -4.69 -0.16 0.00 -0.00 0.00 0.00 57.85 52.79 1jtb n ARG 89 Cb 0.75 -2.44 -0.10 0.00 -0.00 0.00 0.00 32.46 30.67 1jtb n ARG 89 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1jtb s ILE 90 N -4.27 0.82 0.00 8.89 1.01 -1.26 -2.96 121.20 123.43 1jtb s ILE 90 Ca 0.40 -2.01 0.00 0.00 0.00 0.00 0.00 60.65 59.04 1jtb s ILE 90 Cb 0.20 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 40.29 1jtb s ILE 90 CO -0.12 -0.27 0.49 -1.22 0.00 0.00 0.00 174.94 173.82