#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 6.50 0.00 1.96 4.13 -1.26 -4.80 115.26 121.79 1jtb n ASN 2 Ca 0.00 -3.77 0.00 0.00 1.68 0.00 0.00 54.58 52.49 1jtb n ASN 2 Cb 0.00 -0.78 0.00 0.00 -1.54 0.00 0.00 39.78 37.46 1jtb n ASN 2 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jtb n GLY 4 N 0.00 1.50 0.36 0.00 0.00 -1.26 -4.07 105.19 101.71 1jtb n GLY 4 Ca 0.00 -0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 1jtb n GLY 4 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1jtb h GLN 5 N 0.00 0.00 0.21 1.61 1.08 -1.99 -1.34 115.11 114.68 1jtb h GLN 5 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1jtb h GLN 5 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1jtb h GLN 5 CO 0.00 0.00 -0.21 0.28 -0.95 0.00 0.00 178.83 177.95 1jtb h VAL 6 N 0.00 0.00 -0.93 -0.54 2.07 -1.96 -1.85 116.25 113.03 1jtb h VAL 6 Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1jtb h VAL 6 Cb 0.77 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 1jtb h VAL 6 CO -0.00 0.00 0.59 0.44 0.02 0.00 0.00 177.57 178.61 1jtb h ASP 7 N -0.41 1.10 -0.84 0.57 3.32 -1.67 0.29 116.42 118.78 1jtb h ASP 7 Ca -0.03 -0.05 0.21 0.00 0.02 0.00 0.00 57.03 57.18 1jtb h ASP 7 Cb 0.36 -0.28 -0.16 0.00 0.22 0.00 0.00 39.33 39.47 1jtb h ASP 7 CO -0.03 0.82 -0.06 -0.24 -1.72 0.00 0.00 179.24 178.02 1jtb n SER 8 N -4.40 -0.17 -0.20 6.45 2.88 -0.59 0.61 113.62 118.21 1jtb n SER 8 Ca 0.10 1.44 0.02 0.00 -1.33 0.00 0.00 58.87 59.10 1jtb n SER 8 Cb 0.04 -0.49 0.04 0.00 -0.75 0.00 0.00 64.21 63.04 1jtb n SER 8 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1jtb n LYS 9 N -5.27 1.47 0.00 -1.46 4.76 -0.76 -4.66 118.16 112.23 1jtb n LYS 9 Ca 0.18 -1.28 0.00 0.00 -2.87 0.00 0.00 58.31 54.34 1jtb n LYS 9 Cb 0.57 -1.09 0.00 0.00 -1.84 0.00 0.00 35.03 32.67 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 0.02 0.07 0.28 1.97 2.81 0.98 -4.34 117.12 118.91 1jtb n MET 10 Ca 0.03 -0.56 -0.16 0.00 -1.81 0.00 0.00 57.70 55.20 1jtb n MET 10 Cb 0.22 -0.83 -0.08 0.00 -0.71 0.00 0.00 33.22 31.82 1jtb n MET 10 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1jtb h LYS 11 N 0.00 -0.69 -0.10 0.03 1.63 0.03 0.20 116.57 117.68 1jtb h LYS 11 Ca 0.00 0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.88 1jtb h LYS 11 Cb 0.31 0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 32.09 1jtb h LYS 11 CO 0.00 -0.46 0.72 -1.00 -3.45 0.00 0.00 179.45 175.26 1jtb h PRO 12 N -0.71 0.00 0.09 1.90 0.13 -1.86 0.38 132.00 131.92 1jtb h PRO 12 Ca -0.06 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.71 1jtb h PRO 12 Cb 0.57 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.67 1jtb h PRO 12 CO 0.07 0.00 -2.08 0.00 -0.23 0.00 0.00 178.00 175.77 1jtb h LEU 14 N -0.03 -0.65 -0.33 0.00 5.85 0.97 -0.25 115.31 120.87 1jtb h LEU 14 Ca -0.46 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.30 1jtb h LEU 14 Cb 1.95 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 43.07 1jtb h LEU 14 CO 0.02 -0.38 -0.43 0.71 -0.34 0.00 0.00 178.44 178.01 1jtb h THR 15 N -0.89 0.11 -0.76 1.05 1.35 -0.50 0.48 112.91 113.75 1jtb h THR 15 Ca -0.08 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.85 1jtb h THR 15 Cb 0.63 0.11 -0.10 0.00 -1.73 0.00 0.00 68.15 67.06 1jtb h THR 15 CO 0.13 0.00 -0.58 0.22 -0.25 0.00 0.00 175.52 175.04 1jtb h TYR 16 N -0.38 -1.82 -0.87 4.73 3.20 -1.02 0.36 116.97 121.18 1jtb h TYR 16 Ca 0.12 0.11 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1jtb h TYR 16 Cb 0.60 0.89 -0.04 0.00 1.54 0.00 0.00 36.73 39.72 1jtb h TYR 16 CO -0.59 -0.42 0.52 -0.39 -1.64 0.00 0.00 178.16 175.64 1jtb h VAL 17 N -0.16 1.24 0.00 1.81 -1.51 0.80 -1.77 116.25 116.66 1jtb h VAL 17 Ca 0.12 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 1jtb h VAL 17 Cb 0.48 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.66 1jtb h VAL 17 CO -0.80 0.25 0.00 0.06 -1.23 0.00 0.00 177.57 175.85 1jtb h GLN 18 N 1.20 0.00 0.00 5.19 3.07 -0.10 0.36 115.11 124.83 1jtb h GLN 18 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.05 1jtb h GLN 18 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.51 1jtb h GLN 18 CO -0.06 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.27 1jtb n GLY 19 N 0.53 1.93 0.00 0.06 0.00 0.00 -2.91 105.19 104.80 1jtb n GLY 19 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.49 2.95 2.73 -0.02 0.00 0.11 -4.95 105.19 105.52 1jtb n GLY 20 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.52 0.00 -4.70 1.61 -0.02 -1.26 -4.01 135.00 126.10 1jtb n PRO 21 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.17 1jtb n PRO 21 Cb 0.00 -0.95 -0.08 0.00 -0.02 0.00 0.00 33.50 32.45 1jtb n PRO 21 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1jtb s GLY 22 N 2.40 2.85 -0.87 -1.23 0.00 -1.26 -4.46 107.32 104.75 1jtb s GLY 22 Ca 0.00 -0.90 -0.00 0.00 0.00 0.00 0.00 44.72 43.82 1jtb s GLY 22 CO 0.00 -2.13 1.75 -1.55 0.00 0.00 0.00 173.10 171.17 1jtb n PRO 23 N -1.15 4.09 -0.26 2.90 -0.04 -1.26 -5.01 135.00 134.27 1jtb n PRO 23 Ca -0.15 -4.26 -0.08 0.00 -0.04 0.00 0.00 63.50 58.97 1jtb n PRO 23 Cb 0.67 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 1jtb n PRO 23 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1jtb n SER 24 N -0.29 -0.67 0.15 3.54 7.64 -1.26 -4.67 113.62 118.07 1jtb n SER 24 Ca 0.47 0.15 0.04 0.00 1.01 0.00 0.00 58.87 60.54 1jtb n SER 24 Cb 0.30 -0.18 0.43 0.00 -1.01 0.00 0.00 64.21 63.75 1jtb n SER 24 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1jtb h GLY 25 N 0.03 0.18 0.79 0.23 0.00 -1.99 -2.81 103.07 99.49 1jtb h GLY 25 Ca -0.08 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.16 1jtb h GLY 25 CO 0.09 0.10 -0.13 1.05 0.00 0.00 0.00 176.54 177.65 1jtb h GLU 26 N 0.16 -0.25 0.24 4.80 -0.00 -1.99 0.11 114.58 117.65 1jtb h GLU 26 Ca 0.03 0.02 -0.01 0.00 -0.00 0.00 0.00 59.36 59.40 1jtb h GLU 26 Cb 0.33 0.06 0.00 0.00 -0.00 0.00 0.00 28.75 29.14 1jtb h GLU 26 CO 0.02 -0.17 -0.11 0.00 -0.00 0.00 0.00 179.01 178.75 1jtb h ASN 29 N 0.25 0.35 -0.32 0.00 7.08 -0.81 -1.85 115.58 120.27 1jtb h ASN 29 Ca 0.43 -0.51 0.06 0.00 -3.08 0.00 0.00 56.30 53.20 1jtb h ASN 29 Cb 0.74 -0.10 -0.08 0.00 -2.08 0.00 0.00 38.32 36.80 1jtb h ASN 29 CO -0.53 0.79 -0.41 1.23 -2.08 0.00 0.00 177.43 176.42 1jtb h GLY 30 N -0.08 -0.56 -0.96 9.14 0.00 0.29 -1.73 103.07 109.18 1jtb h GLY 30 Ca 0.02 0.52 0.11 0.00 0.00 0.00 0.00 47.33 47.98 1jtb h GLY 30 CO 0.04 -0.20 -0.49 -0.62 0.00 0.00 0.00 176.54 175.27 1jtb n VAL 31 N -5.42 -0.59 0.36 4.60 0.31 0.18 0.59 118.33 118.37 1jtb n VAL 31 Ca -0.01 2.30 -0.17 0.00 -0.01 0.00 0.00 64.34 66.44 1jtb n VAL 31 Cb 0.35 -2.92 -0.08 0.00 -0.91 0.00 0.00 33.84 30.28 1jtb n VAL 31 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1jtb h ARG 32 N 0.00 -0.98 -0.49 5.55 1.12 -0.50 0.21 114.38 119.28 1jtb h ARG 32 Ca 0.23 0.07 0.10 0.00 -1.11 0.00 0.00 59.98 59.26 1jtb h ARG 32 Cb 0.47 0.22 -0.10 0.00 -0.01 0.00 0.00 29.97 30.55 1jtb h ARG 32 CO -0.92 -0.65 -0.23 -0.44 -3.11 0.00 0.00 179.97 174.61 1jtb h ASP 33 N -1.02 -0.81 -0.40 -3.80 5.19 -0.72 0.33 116.42 115.18 1jtb h ASP 33 Ca -0.09 0.18 0.06 0.00 -0.62 0.00 0.00 57.03 56.57 1jtb h ASP 33 Cb 0.82 0.43 -0.09 0.00 0.18 0.00 0.00 39.33 40.67 1jtb h ASP 33 CO 0.09 -0.26 -0.47 -0.07 -3.12 0.00 0.00 179.24 175.41 1jtb h LEU 34 N -0.13 -1.57 -2.20 1.55 -0.00 0.37 1.47 115.31 114.80 1jtb h LEU 34 Ca 0.22 0.23 0.05 0.00 -0.00 0.00 0.00 57.88 58.39 1jtb h LEU 34 Cb 0.48 0.67 -0.01 0.00 -0.00 0.00 0.00 40.66 41.80 1jtb h LEU 34 CO -0.57 -0.38 0.26 -0.74 -0.00 0.00 0.00 178.44 177.01 1jtb h HIS 35 N -0.36 0.00 -0.00 1.13 2.76 0.28 0.28 115.15 119.24 1jtb h HIS 35 Ca 0.12 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1jtb h HIS 35 Cb 0.59 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.55 1jtb h HIS 35 CO -0.65 0.00 -0.80 0.09 -1.30 0.00 0.00 177.93 175.27 1jtb n ASN 36 N -3.60 1.17 -0.01 3.26 5.03 0.44 -4.55 115.26 117.00 1jtb n ASN 36 Ca 0.02 -1.02 -0.01 0.00 0.87 0.00 0.00 54.58 54.44 1jtb n ASN 36 Cb 0.37 0.76 -0.02 0.00 -1.02 0.00 0.00 39.78 39.88 1jtb n ASN 36 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jtb n GLN 37 N -1.14 3.61 0.00 3.52 10.64 0.22 -4.63 117.38 129.60 1jtb n GLN 37 Ca 0.06 -0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.23 1jtb n GLN 37 Cb 0.36 -1.06 0.00 0.00 -0.86 0.00 0.00 30.24 28.68 1jtb n GLN 37 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1jtb n ALA 38 N -2.09 2.36 -2.01 2.61 0.00 0.82 -2.73 120.51 119.47 1jtb n ALA 38 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.15 1jtb n ALA 38 Cb 0.58 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 19.05 1jtb n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jtb n GLN 39 N 0.36 3.55 -2.27 0.00 10.64 -1.26 -2.06 117.38 126.33 1jtb n GLN 39 Ca 0.00 -4.14 -0.27 0.00 -1.83 0.00 0.00 57.00 50.76 1jtb n GLN 39 Cb 0.35 -2.28 0.01 0.00 -0.86 0.00 0.00 30.24 27.46 1jtb n GLN 39 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1jtb n SER 40 N -0.70 5.02 0.00 2.61 7.64 -1.11 -4.99 113.62 122.09 1jtb n SER 40 Ca 0.45 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.59 1jtb n SER 40 Cb 0.93 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1jtb n SER 40 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1jtb n SER 41 N -0.57 0.00 -0.32 6.43 2.88 -1.26 -4.75 113.62 116.04 1jtb n SER 41 Ca 0.42 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 58.04 1jtb n SER 41 Cb 0.73 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.36 1jtb n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jtb n GLY 42 N 0.00 4.89 0.29 0.46 0.00 -1.26 -4.88 105.19 104.69 1jtb n GLY 42 Ca 0.00 -1.19 -0.08 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.26 -0.73 -0.16 1.61 9.92 -1.25 -0.60 116.55 124.07 1jtb n ASP 43 Ca 0.17 1.54 -0.03 0.00 -0.53 0.00 0.00 54.79 55.94 1jtb n ASP 43 Cb 0.67 -0.31 0.04 0.00 -0.64 0.00 0.00 41.12 40.88 1jtb n ASP 43 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 1jtb h ARG 44 N 0.00 0.04 -0.61 -1.24 -0.00 -1.75 0.26 114.38 111.08 1jtb h ARG 44 Ca 0.11 -0.00 0.12 0.00 -0.00 0.00 0.00 59.98 60.21 1jtb h ARG 44 Cb 0.28 -0.01 -0.09 0.00 -0.00 0.00 0.00 29.97 30.15 1jtb h ARG 44 CO -0.65 0.02 0.08 1.96 -0.00 0.00 0.00 179.97 181.38 1jtb h GLN 45 N 0.04 0.19 -0.64 0.08 4.20 -1.18 0.55 115.11 118.34 1jtb h GLN 45 Ca 0.25 -0.01 0.14 0.00 0.06 0.00 0.00 58.65 59.08 1jtb h GLN 45 Cb 0.38 -0.04 -0.11 0.00 0.30 0.00 0.00 27.48 28.01 1jtb h GLN 45 CO -0.48 0.12 0.03 1.15 -0.67 0.00 0.00 178.83 178.98 1jtb h THR 46 N 0.19 0.49 0.49 -0.54 2.02 0.55 -0.78 112.91 115.34 1jtb h THR 46 Ca 0.32 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.43 1jtb h THR 46 Cb 0.50 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1jtb h THR 46 CO -0.46 0.03 -0.27 0.58 0.37 0.00 0.00 175.52 175.77 1jtb h VAL 47 N 0.14 0.44 -0.85 3.16 2.07 0.21 -1.39 116.25 120.03 1jtb h VAL 47 Ca 0.34 0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.08 1jtb h VAL 47 Cb 0.56 0.44 -0.14 0.00 -1.52 0.00 0.00 31.29 30.63 1jtb h VAL 47 CO -0.53 0.00 0.14 0.00 0.02 0.00 0.00 177.57 177.20 1jtb h ASN 49 N 0.16 0.70 0.11 0.00 2.35 -0.91 0.24 115.58 118.23 1jtb h ASN 49 Ca 0.51 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 56.08 1jtb h ASN 49 Cb 0.99 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 1jtb h ASN 49 CO -0.68 0.70 -0.15 0.00 -1.65 0.00 0.00 177.43 175.65 1jtb h LEU 51 N -0.31 -1.28 -0.89 0.00 3.38 -0.27 -1.30 115.31 114.64 1jtb h LEU 51 Ca 0.02 0.15 0.15 0.00 0.09 0.00 0.00 57.88 58.28 1jtb h LEU 51 Cb 0.32 0.50 -0.15 0.00 0.09 0.00 0.00 40.66 41.41 1jtb h LEU 51 CO -0.07 -0.36 -0.32 0.29 0.09 0.00 0.00 178.44 178.07 1jtb n LYS 52 N -4.68 -0.18 0.28 1.13 4.76 0.82 0.28 118.16 120.58 1jtb n LYS 52 Ca -0.05 1.38 -0.16 0.00 -2.87 0.00 0.00 58.31 56.61 1jtb n LYS 52 Cb 0.28 -2.05 -0.08 0.00 -1.84 0.00 0.00 35.03 31.34 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 -0.83 0.92 0.72 0.00 -0.22 0.76 103.07 104.41 1jtb h GLY 53 Ca 0.34 0.36 -0.03 0.00 0.00 0.00 0.00 47.33 48.00 1jtb h GLY 53 CO -0.90 -0.30 0.11 1.19 0.00 0.00 0.00 176.54 176.64 1jtb h ILE 54 N -0.77 1.20 -0.89 2.60 2.10 -0.59 -1.22 117.51 119.95 1jtb h ILE 54 Ca -0.05 -0.65 0.26 0.00 1.08 0.00 0.00 64.86 65.49 1jtb h ILE 54 Cb 0.64 1.01 -0.04 0.00 -1.09 0.00 0.00 36.82 37.34 1jtb h ILE 54 CO 0.04 0.22 0.79 0.00 -1.08 0.00 0.00 178.15 178.12 1jtb h ALA 55 N 0.95 2.75 -0.51 0.18 0.00 0.01 0.22 119.26 122.86 1jtb h ALA 55 Ca 0.11 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.19 1jtb h ALA 55 Cb 0.24 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 1jtb h ALA 55 CO -0.00 -1.25 0.25 -2.13 0.00 0.00 0.00 179.25 176.12 1jtb n ARG 56 N -3.83 -0.03 0.00 0.00 3.00 0.24 -4.03 116.66 112.01 1jtb n ARG 56 Ca 0.19 0.70 0.00 0.00 -0.00 0.00 0.00 57.85 58.74 1jtb n ARG 56 Cb 1.09 -1.25 0.00 0.00 0.00 0.00 0.00 32.46 32.30 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 -1.14 0.00 0.00 5.14 0.00 -0.56 -5.12 105.19 103.50 1jtb n GLY 57 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.68 -4.78 119.36 120.06 1jtb n ILE 58 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1jtb n ILE 58 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 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 0.00 0.00 -2.73 1.39 8.25 -1.26 -4.97 115.22 115.89 1jtb n HIS 59 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 1jtb n HIS 59 Cb 0.00 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.11 1jtb n HIS 59 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jtb n ASN 60 N -0.47 3.16 -4.37 0.41 5.03 -1.15 -5.06 115.26 112.82 1jtb n ASN 60 Ca 0.00 -3.32 -0.39 0.00 0.87 0.00 0.00 54.58 51.74 1jtb n ASN 60 Cb 0.00 -0.52 -0.15 0.00 -1.02 0.00 0.00 39.78 38.09 1jtb n ASN 60 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1jtb n LEU 61 N -0.20 0.19 -2.42 3.41 7.94 -1.26 -4.48 117.00 120.19 1jtb n LEU 61 Ca 0.27 0.14 -0.25 0.00 -1.11 0.00 0.00 56.01 55.06 1jtb n LEU 61 Cb 0.65 -0.87 -0.07 0.00 0.53 0.00 0.00 43.42 43.65 1jtb n LEU 61 CO 0.30 -0.74 1.59 -3.20 -1.11 0.00 0.00 177.39 174.23 1jtb n ASN 62 N 9.95 6.29 0.00 1.96 4.05 0.13 -4.84 115.26 132.80 1jtb n ASN 62 Ca 0.64 -3.10 0.00 0.00 0.45 0.00 0.00 54.58 52.57 1jtb n ASN 62 Cb 0.03 -1.26 0.00 0.00 1.23 0.00 0.00 39.78 39.79 1jtb n ASN 62 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1jtb n LEU 63 N 1.10 0.00 -0.35 1.20 4.77 -1.26 0.56 117.00 123.02 1jtb n LEU 63 Ca 0.48 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.50 1jtb n LEU 63 Cb 0.60 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.81 1jtb n LEU 63 CO 0.30 0.00 0.66 0.78 -1.33 0.00 0.00 177.39 177.80 1jtb h ASN 64 N 0.00 -0.96 -0.44 -1.43 2.35 -1.96 0.39 115.58 113.54 1jtb h ASN 64 Ca 0.00 0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 56.01 1jtb h ASN 64 Cb 0.00 0.61 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 1jtb h ASN 64 CO 0.00 -0.31 0.17 -0.55 -1.65 0.00 0.00 177.43 175.08 1jtb h ASN 65 N -0.00 0.61 -0.44 5.81 -1.07 -0.29 -0.48 115.58 119.72 1jtb h ASN 65 Ca 0.45 -0.18 0.00 0.00 0.07 0.00 0.00 56.30 56.64 1jtb h ASN 65 Cb 0.69 -0.16 -0.02 0.00 -2.07 0.00 0.00 38.32 36.76 1jtb h ASN 65 CO -0.99 0.62 0.29 0.00 0.07 0.00 0.00 177.43 177.43 1jtb h ALA 66 N 1.01 0.56 0.00 4.14 0.00 -0.42 0.24 119.26 124.79 1jtb h ALA 66 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1jtb h ALA 66 Cb 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1jtb h ALA 66 CO -0.01 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1jtb n ALA 67 N -2.22 2.16 -0.01 0.00 0.00 0.90 -0.77 120.51 120.57 1jtb n ALA 67 Ca 0.01 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.42 1jtb n ALA 67 Cb 0.02 -1.22 -0.10 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.86 1.91 0.05 0.00 2.88 0.63 -4.54 113.62 113.70 1jtb n SER 68 Ca 0.10 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.49 1jtb n SER 68 Cb 0.05 1.49 -0.08 0.00 -0.75 0.00 0.00 64.21 64.92 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 0.00 0.06 -0.42 2.46 2.04 0.10 -0.65 117.51 121.10 1jtb h ILE 69 Ca -0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.86 1jtb h ILE 69 Cb 0.79 0.06 -0.08 0.00 -0.74 0.00 0.00 36.82 36.85 1jtb h ILE 69 CO 0.00 0.00 -0.54 1.55 0.00 0.00 0.00 178.15 179.16 1jtb h PRO 70 N -0.63 -0.37 -0.33 2.37 0.13 -1.80 0.36 132.00 131.73 1jtb h PRO 70 Ca 0.03 0.03 0.06 0.00 -0.87 0.00 0.00 66.00 65.24 1jtb h PRO 70 Cb 0.70 0.08 -0.05 0.00 0.13 0.00 0.00 31.00 31.86 1jtb h PRO 70 CO -0.35 -0.24 0.01 0.77 -0.23 0.00 0.00 178.00 177.96 1jtb h SER 71 N -0.38 -0.10 1.36 1.44 0.02 -1.80 -1.05 113.55 113.03 1jtb h SER 71 Ca 0.09 0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 61.03 1jtb h SER 71 Cb 0.59 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1jtb h SER 71 CO -0.60 -0.02 -0.35 0.50 -1.14 0.00 0.00 176.83 175.22 1jtb h LYS 72 N 0.11 0.00 0.10 3.45 3.64 0.03 -3.36 116.57 120.55 1jtb h LYS 72 Ca 0.16 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.19 1jtb h LYS 72 Cb 0.21 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1jtb h LYS 72 CO -0.25 0.35 -1.91 0.00 -2.27 0.00 0.00 179.45 175.36 1jtb n ASN 74 N -3.39 0.00 -2.71 0.00 5.15 -0.43 -4.79 115.26 109.07 1jtb n ASN 74 Ca -0.28 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 53.65 1jtb n ASN 74 Cb 1.05 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 40.36 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 0.00 0.75 -1.87 3.44 3.14 -0.99 -4.85 118.33 117.94 1jtb n VAL 75 Ca 0.00 -2.47 -0.41 0.00 -2.96 0.00 0.00 64.34 58.50 1jtb n VAL 75 Cb 0.00 0.93 -0.01 0.00 -1.06 0.00 0.00 33.84 33.71 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 -0.47 6.05 -4.46 6.55 6.94 -1.20 -4.58 115.26 124.08 1jtb n ASN 76 Ca 0.03 -2.92 -0.30 0.00 -0.02 0.00 0.00 54.58 51.37 1jtb n ASN 76 Cb 0.83 -1.53 -0.12 0.00 -2.36 0.00 0.00 39.78 36.60 1jtb n ASN 76 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1jtb s VAL 77 N 1.31 2.72 -0.21 3.53 0.11 -1.26 -5.01 120.40 121.58 1jtb s VAL 77 Ca 0.51 -1.43 -0.20 0.00 -2.93 0.00 0.00 61.98 57.93 1jtb s VAL 77 Cb 0.14 -2.20 -0.23 0.00 -1.53 0.00 0.00 36.38 32.57 1jtb s VAL 77 CO -0.06 0.19 1.56 -2.65 -3.33 0.00 0.00 175.10 170.81 1jtb n PRO 78 N 1.11 0.44 -3.19 1.54 -0.02 -1.26 -4.78 135.00 128.83 1jtb n PRO 78 Ca -0.16 -1.08 -0.40 0.00 -2.02 0.00 0.00 63.50 59.84 1jtb n PRO 78 Cb 0.52 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 1jtb n PRO 78 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1jtb n TYR 79 N 7.46 3.15 0.00 6.00 9.36 -1.26 -4.85 117.16 137.01 1jtb n TYR 79 Ca 0.37 -3.21 0.00 0.00 3.32 0.00 0.00 57.90 58.37 1jtb n TYR 79 Cb 0.30 -1.19 0.00 0.00 -0.63 0.00 0.00 39.34 37.82 1jtb n TYR 79 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1jtb n THR 80 N 1.54 0.00 -3.67 2.97 -1.04 -1.26 -4.82 114.28 108.00 1jtb n THR 80 Ca 0.26 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 62.09 1jtb n THR 80 Cb 0.36 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.86 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 -0.86 -4.26 12.58 2.08 -1.26 -4.91 119.36 122.73 1jtb n ILE 81 Ca 0.00 -0.23 -0.21 0.00 0.56 0.00 0.00 62.75 62.87 1jtb n ILE 81 Cb 0.00 -0.75 -0.12 0.00 -0.75 0.00 0.00 39.64 38.02 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 -4.11 2.25 0.07 4.38 0.01 -1.26 -4.91 113.70 110.14 1jtb s SER 82 Ca 0.14 -0.75 -0.08 0.00 1.31 0.00 0.00 55.95 56.57 1jtb s SER 82 Cb -0.08 -0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.09 1jtb s SER 82 CO 0.41 -0.05 0.52 -2.65 0.41 0.00 0.00 173.24 171.89 1jtb n PRO 83 N 0.78 -0.11 -2.89 12.44 -0.02 -1.26 -0.94 135.00 143.01 1jtb n PRO 83 Ca -0.17 0.52 -0.26 0.00 -2.02 0.00 0.00 63.50 61.57 1jtb n PRO 83 Cb 0.55 -0.76 -0.03 0.00 -0.02 0.00 0.00 33.50 33.24 1jtb n PRO 83 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1jtb n ASP 84 N -4.47 4.17 0.00 2.55 2.03 -1.26 -5.07 116.55 114.51 1jtb n ASP 84 Ca 0.02 -3.62 0.00 0.00 0.52 0.00 0.00 54.79 51.71 1jtb n ASP 84 Cb 0.12 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 1jtb n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jtb n ILE 85 N -0.24 0.00 -3.90 5.18 0.13 -0.11 -4.96 119.36 115.46 1jtb n ILE 85 Ca 0.31 0.00 -0.31 0.00 -1.10 0.00 0.00 62.75 61.65 1jtb n ILE 85 Cb 0.46 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 39.22 1jtb n ILE 85 CO 0.00 0.00 0.00 1.51 2.80 0.00 0.00 176.55 180.86 1jtb s ASP 86 N 0.00 6.37 -0.03 9.51 -4.77 -1.26 -4.77 116.67 121.72 1jtb s ASP 86 Ca 0.00 0.30 0.15 0.00 -3.30 0.00 0.00 52.55 49.71 1jtb s ASP 86 Cb 0.00 -1.97 -0.24 0.00 -1.09 0.00 0.00 42.92 39.62 1jtb s ASP 86 CO 0.00 0.18 0.32 0.00 0.70 0.00 0.00 175.17 176.37 1jtb n SER 88 N -2.07 0.17 -0.11 0.00 2.88 -1.26 -2.41 113.62 110.82 1jtb n SER 88 Ca -0.04 -1.61 0.09 0.00 -1.33 0.00 0.00 58.87 55.97 1jtb n SER 88 Cb 0.44 -0.09 0.12 0.00 -0.75 0.00 0.00 64.21 63.93 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 -0.37 1.20 -4.21 -1.46 1.85 -1.26 -5.04 116.66 107.37 1jtb n ARG 89 Ca 0.00 -2.36 -0.23 0.00 -1.00 0.00 0.00 57.85 54.26 1jtb n ARG 89 Cb 0.04 -1.37 -0.06 0.00 -1.05 0.00 0.00 32.46 30.02 1jtb n ARG 89 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1jtb s ILE 90 N -2.49 3.62 -0.96 8.89 1.01 -1.01 -4.38 121.20 125.88 1jtb s ILE 90 Ca 0.27 -1.75 0.08 0.00 0.00 0.00 0.00 60.65 59.25 1jtb s ILE 90 Cb 0.24 -3.00 0.06 0.00 0.01 0.00 0.00 42.46 39.77 1jtb s ILE 90 CO 0.03 -0.34 0.74 -1.22 0.00 0.00 0.00 174.94 174.15