#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 3.86 0.00 1.96 0.23 -1.26 -4.47 115.26 115.58 1jtb n ASN 2 Ca 0.00 -3.10 0.00 0.00 -0.53 0.00 0.00 54.58 50.95 1jtb n ASN 2 Cb 0.00 -0.73 0.00 0.00 -2.08 0.00 0.00 39.78 36.97 1jtb n ASN 2 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jtb n GLY 4 N 1.97 0.00 0.29 0.00 0.00 -1.26 0.34 105.19 106.53 1jtb n GLY 4 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 0.29 0.00 1.61 1.08 -1.96 0.20 115.11 116.33 1jtb h GLN 5 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1jtb h GLN 5 Cb 0.00 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1jtb h GLN 5 CO 0.00 0.19 0.00 0.28 -0.95 0.00 0.00 178.83 178.35 1jtb n VAL 6 N -5.14 0.00 -0.22 -0.54 0.31 0.15 -1.40 118.33 111.50 1jtb n VAL 6 Ca 0.18 1.46 0.02 0.00 -0.01 0.00 0.00 64.34 65.99 1jtb n VAL 6 Cb 0.55 -2.14 0.13 0.00 -0.91 0.00 0.00 33.84 31.47 1jtb n VAL 6 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1jtb h ASP 7 N 0.00 -0.01 -1.07 4.52 3.58 -1.46 0.75 116.42 122.73 1jtb h ASP 7 Ca 0.00 0.13 0.28 0.00 0.42 0.00 0.00 57.03 57.86 1jtb h ASP 7 Cb 0.00 0.18 -0.09 0.00 1.72 0.00 0.00 39.33 41.13 1jtb h ASP 7 CO 0.00 -0.01 0.69 -1.28 -2.88 0.00 0.00 179.24 175.76 1jtb h SER 8 N 0.25 0.40 -0.03 2.28 0.87 0.01 0.53 113.55 117.87 1jtb h SER 8 Ca 0.35 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 1jtb h SER 8 Cb 0.55 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1jtb h SER 8 CO -0.45 0.06 0.00 0.29 -0.53 0.00 0.00 176.83 176.20 1jtb n LYS 9 N -4.60 0.40 0.00 2.24 4.76 -0.16 -4.70 118.16 116.11 1jtb n LYS 9 Ca 0.26 -1.08 0.00 0.00 -2.87 0.00 0.00 58.31 54.62 1jtb n LYS 9 Cb 0.94 -1.17 0.00 0.00 -1.84 0.00 0.00 35.03 32.96 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 0.47 3.12 -0.19 1.97 2.81 0.24 -2.65 117.12 122.90 1jtb n MET 10 Ca 0.05 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.89 1jtb n MET 10 Cb 0.23 -0.99 -0.04 0.00 -0.71 0.00 0.00 33.22 31.71 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 -1.86 -0.20 0.20 0.03 3.00 0.17 0.47 118.16 119.97 1jtb n LYS 11 Ca 0.00 0.96 0.14 0.00 -0.00 0.00 0.00 58.31 59.41 1jtb n LYS 11 Cb 0.39 -1.42 0.67 0.00 0.00 0.00 0.00 35.03 34.67 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 0.00 1.64 0.13 -1.87 0.19 132.00 132.08 1jtb h PRO 12 Ca 0.07 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.00 1jtb h PRO 12 Cb 0.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.28 1jtb h PRO 12 CO -0.42 0.00 -1.12 0.00 -0.23 0.00 0.00 178.00 176.23 1jtb h LEU 14 N -1.00 -0.85 -0.67 0.00 5.85 0.02 0.37 115.31 119.03 1jtb h LEU 14 Ca -0.31 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.57 1jtb h LEU 14 Cb 1.26 0.32 -0.10 0.00 0.37 0.00 0.00 40.66 42.50 1jtb h LEU 14 CO -0.19 -0.30 -0.55 0.71 -0.34 0.00 0.00 178.44 177.77 1jtb h THR 15 N -0.40 0.01 -0.85 1.05 1.35 -0.79 -0.32 112.91 112.96 1jtb h THR 15 Ca -0.00 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.93 1jtb h THR 15 Cb 0.40 0.01 -0.10 0.00 -1.73 0.00 0.00 68.15 66.73 1jtb h THR 15 CO -0.15 0.00 -0.50 0.00 -0.25 0.00 0.00 175.52 174.61 1jtb n TYR 16 N -5.33 -0.37 -0.32 4.73 9.36 -0.48 0.10 117.16 124.85 1jtb n TYR 16 Ca -0.01 1.06 0.01 0.00 3.32 0.00 0.00 57.90 62.29 1jtb n TYR 16 Cb 0.31 -0.57 0.19 0.00 -0.63 0.00 0.00 39.34 38.64 1jtb n TYR 16 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 1jtb h VAL 17 N 0.00 1.16 -0.33 2.97 -1.51 0.73 0.34 116.25 119.62 1jtb h VAL 17 Ca 0.14 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 1jtb h VAL 17 Cb 0.35 -0.10 0.00 0.00 -2.13 0.00 0.00 31.29 29.40 1jtb h VAL 17 CO -0.80 0.21 0.00 0.00 -1.23 0.00 0.00 177.57 175.75 1jtb n GLN 18 N -4.44 2.42 0.00 5.19 10.64 0.13 0.16 117.38 131.48 1jtb n GLN 18 Ca 0.12 -1.46 0.00 0.00 -1.83 0.00 0.00 57.00 53.83 1jtb n GLN 18 Cb 0.10 -1.60 0.00 0.00 -0.86 0.00 0.00 30.24 27.88 1jtb n GLN 18 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1jtb n GLY 19 N 0.69 4.19 0.00 2.61 0.00 0.28 -4.68 105.19 108.28 1jtb n GLY 19 Ca 0.13 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 2.00 0.12 -0.02 0.00 0.17 -4.62 105.19 102.84 1jtb n GLY 20 Ca 0.00 -2.10 -0.16 0.00 0.00 0.00 0.00 46.02 43.75 1jtb n GLY 20 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jtb n PRO 21 N 0.10 0.71 0.00 1.61 -0.04 -1.26 -4.61 135.00 131.51 1jtb n PRO 21 Ca 0.00 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1jtb n PRO 21 Cb 0.00 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 1jtb n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jtb n GLY 22 N 1.83 0.03 3.87 0.55 0.00 -1.26 -4.93 105.19 105.29 1jtb n GLY 22 Ca -0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 1jtb n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jtb s PRO 23 N -0.04 3.64 0.36 1.61 0.04 -1.26 -5.08 135.00 134.28 1jtb s PRO 23 Ca 0.00 0.67 0.05 0.00 0.04 0.00 0.00 61.00 61.77 1jtb s PRO 23 Cb 0.00 -2.15 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 1jtb s PRO 23 CO 0.00 -0.45 0.04 -1.12 0.04 0.00 0.00 177.00 175.51 1jtb s SER 24 N -3.99 2.99 0.13 6.66 0.01 -1.26 -5.04 113.70 113.20 1jtb s SER 24 Ca 0.54 -1.38 -0.09 0.00 1.31 0.00 0.00 55.95 56.33 1jtb s SER 24 Cb -0.11 -0.20 0.16 0.00 0.21 0.00 0.00 66.02 66.08 1jtb s SER 24 CO 0.49 -0.55 0.87 0.61 0.41 0.00 0.00 173.24 175.07 1jtb n GLY 25 N -0.80 -1.11 0.24 3.44 0.00 -1.26 -0.86 105.19 104.83 1jtb n GLY 25 Ca -0.03 0.62 0.16 0.00 0.00 0.00 0.00 46.02 46.77 1jtb n GLY 25 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1jtb n GLU 26 N -4.84 -0.05 0.10 1.61 0.28 -1.26 -0.65 120.64 115.82 1jtb n GLU 26 Ca 0.06 1.02 -0.05 0.00 -0.16 0.00 0.00 57.16 58.04 1jtb n GLU 26 Cb 0.24 -1.71 -0.02 0.00 1.43 0.00 0.00 31.44 31.37 1jtb n GLU 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jtb h ASN 29 N 0.20 -0.09 -0.96 0.00 7.08 -0.98 0.21 115.58 121.03 1jtb h ASN 29 Ca 0.47 -0.47 0.20 0.00 -3.08 0.00 0.00 56.30 53.43 1jtb h ASN 29 Cb 0.88 0.02 -0.18 0.00 -2.08 0.00 0.00 38.32 36.96 1jtb h ASN 29 CO -0.62 0.46 -0.20 1.23 -2.08 0.00 0.00 177.43 176.22 1jtb h GLY 30 N -0.68 0.77 0.49 9.14 0.00 0.58 0.28 103.07 113.64 1jtb h GLY 30 Ca -0.01 0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 1jtb h GLY 30 CO 0.02 -0.38 -0.24 -2.08 0.00 0.00 0.00 176.54 173.86 1jtb h VAL 31 N 0.00 0.00 0.02 4.60 2.07 0.04 0.24 116.25 123.22 1jtb h VAL 31 Ca 0.48 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.90 1jtb h VAL 31 Cb 0.77 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 1jtb h VAL 31 CO -0.97 0.00 -0.32 -0.09 0.02 0.00 0.00 177.57 176.21 1jtb h ARG 32 N -0.78 -0.46 0.43 1.57 1.12 -0.06 0.23 114.38 116.42 1jtb h ARG 32 Ca -0.07 0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 58.82 1jtb h ARG 32 Cb 0.50 0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 30.57 1jtb h ARG 32 CO 0.11 -0.31 -0.28 -0.44 -3.11 0.00 0.00 179.97 175.94 1jtb h ASP 33 N -0.48 -0.72 -0.61 -3.80 5.19 -0.57 -1.68 116.42 113.75 1jtb h ASP 33 Ca 0.06 0.04 0.08 0.00 -0.62 0.00 0.00 57.03 56.59 1jtb h ASP 33 Cb 0.56 0.21 -0.09 0.00 0.18 0.00 0.00 39.33 40.19 1jtb h ASP 33 CO -0.25 -0.42 -0.29 0.18 -3.12 0.00 0.00 179.24 175.33 1jtb n LEU 34 N -4.08 -0.51 -0.25 1.55 7.99 0.83 0.15 117.00 122.67 1jtb n LEU 34 Ca -0.08 1.08 0.05 0.00 -0.01 0.00 0.00 56.01 57.05 1jtb n LEU 34 Cb 0.28 -0.20 0.15 0.00 -0.11 0.00 0.00 43.42 43.55 1jtb n LEU 34 CO 0.19 -0.93 0.82 -0.74 -1.51 0.00 0.00 177.39 175.22 1jtb h HIS 35 N 0.00 -0.05 -0.02 -1.77 2.76 0.29 0.29 115.15 116.65 1jtb h HIS 35 Ca 0.16 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1jtb h HIS 35 Cb 0.32 0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.42 1jtb h HIS 35 CO -0.58 -0.24 -0.21 0.27 -1.30 0.00 0.00 177.93 175.87 1jtb n ASN 36 N -5.34 2.28 -0.07 3.26 6.94 0.39 -4.36 115.26 118.35 1jtb n ASN 36 Ca 0.13 -1.65 -0.21 0.00 -0.02 0.00 0.00 54.58 52.83 1jtb n ASN 36 Cb 0.47 0.20 -0.12 0.00 -2.36 0.00 0.00 39.78 37.97 1jtb n ASN 36 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1jtb h GLN 37 N 3.24 0.08 -2.05 -3.83 1.08 0.27 -3.38 115.11 110.51 1jtb h GLN 37 Ca 0.00 -0.13 -0.12 0.00 -1.45 0.00 0.00 58.65 56.95 1jtb h GLN 37 Cb 0.81 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.24 1jtb h GLN 37 CO 0.00 1.06 -0.21 0.00 -0.95 0.00 0.00 178.83 178.73 1jtb n ALA 38 N -3.23 5.23 -1.37 3.87 0.00 0.84 -3.56 120.51 122.29 1jtb n ALA 38 Ca -0.29 -1.12 0.07 0.00 0.00 0.00 0.00 53.44 52.09 1jtb n ALA 38 Cb 0.75 -1.90 0.10 0.00 0.00 0.00 0.00 19.45 18.40 1jtb n ALA 38 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1jtb n GLN 39 N 2.20 0.90 -3.88 0.00 7.27 -1.26 -2.04 117.38 120.57 1jtb n GLN 39 Ca 0.26 -2.13 -0.09 0.00 0.07 0.00 0.00 57.00 55.12 1jtb n GLN 39 Cb 0.72 -1.20 -0.07 0.00 2.41 0.00 0.00 30.24 32.10 1jtb n GLN 39 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1jtb s SER 40 N -2.33 0.07 0.00 1.69 0.15 -1.23 -4.99 113.70 107.06 1jtb s SER 40 Ca 0.23 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1jtb s SER 40 Cb 0.20 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 1jtb s SER 40 CO 0.02 -0.80 0.00 -1.54 1.20 0.00 0.00 173.24 172.12 1jtb n SER 41 N -0.13 0.00 0.00 5.45 3.41 -1.26 -1.45 113.62 119.65 1jtb n SER 41 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1jtb n SER 41 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 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 0.00 0.51 0.00 5.00 0.00 -1.26 -5.16 105.19 104.29 1jtb n GLY 42 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -0.88 -0.30 1.61 9.92 -0.52 -4.62 116.55 121.75 1jtb n ASP 43 Ca 0.00 -0.45 -0.09 0.00 -0.53 0.00 0.00 54.79 53.72 1jtb n ASP 43 Cb 0.00 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 1jtb n ASP 43 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1jtb h ARG 44 N 0.00 -0.14 0.00 -1.24 2.47 -1.71 0.17 114.38 113.93 1jtb h ARG 44 Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1jtb h ARG 44 Cb 0.00 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1jtb h ARG 44 CO 0.00 -0.09 0.63 1.96 0.56 0.00 0.00 179.97 183.03 1jtb h GLN 45 N -0.14 0.00 0.00 0.04 4.20 -1.90 1.28 115.11 118.60 1jtb h GLN 45 Ca 0.18 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.55 1jtb h GLN 45 Cb 0.53 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.25 1jtb h GLN 45 CO -0.81 0.00 -1.86 2.41 -0.67 0.00 0.00 178.83 177.90 1jtb n THR 46 N -1.88 1.53 -0.27 -0.54 -1.04 0.54 -3.92 114.28 108.70 1jtb n THR 46 Ca -0.00 -0.20 0.05 0.00 -2.04 0.00 0.00 64.05 61.85 1jtb n THR 46 Cb 0.64 -1.96 0.18 0.00 -1.82 0.00 0.00 70.33 67.37 1jtb n THR 46 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1jtb h VAL 47 N -0.99 0.74 -0.22 12.58 3.04 0.20 -1.84 116.25 129.77 1jtb h VAL 47 Ca -0.51 -0.19 0.02 0.00 -1.01 0.00 0.00 66.70 65.00 1jtb h VAL 47 Cb 1.46 0.14 -0.03 0.00 -2.01 0.00 0.00 31.29 30.85 1jtb h VAL 47 CO -0.31 0.10 -0.13 0.00 -1.01 0.00 0.00 177.57 176.23 1jtb h ASN 49 N 0.00 -0.10 -0.93 0.00 2.35 -1.48 0.56 115.58 115.99 1jtb h ASN 49 Ca 0.03 0.17 0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1jtb h ASN 49 Cb 0.09 0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.66 1jtb h ASN 49 CO -0.20 -0.10 0.61 0.00 -1.65 0.00 0.00 177.43 176.09 1jtb h LEU 51 N 1.26 -0.38 -0.72 0.00 3.38 0.37 -0.35 115.31 118.86 1jtb h LEU 51 Ca 0.34 0.02 0.23 0.00 0.09 0.00 0.00 57.88 58.55 1jtb h LEU 51 Cb -0.14 0.10 -0.13 0.00 0.09 0.00 0.00 40.66 40.58 1jtb h LEU 51 CO -0.07 -0.25 0.11 0.29 0.09 0.00 0.00 178.44 178.61 1jtb n LYS 52 N -3.18 -0.05 0.04 1.13 4.76 0.13 -0.08 118.16 120.92 1jtb n LYS 52 Ca -0.05 1.06 -0.20 0.00 -2.87 0.00 0.00 58.31 56.26 1jtb n LYS 52 Cb 0.17 -1.74 -0.13 0.00 -1.84 0.00 0.00 35.03 31.48 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 0.44 0.79 0.72 0.00 -0.45 -1.69 103.07 102.88 1jtb h GLY 53 Ca 0.48 -0.97 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1jtb h GLY 53 CO -0.65 0.85 -0.05 1.19 0.00 0.00 0.00 176.54 177.88 1jtb h ILE 54 N -0.17 1.29 -0.93 2.60 6.09 0.88 -3.01 117.51 124.26 1jtb h ILE 54 Ca -0.13 -1.04 0.08 0.00 -1.37 0.00 0.00 64.86 62.40 1jtb h ILE 54 Cb 1.60 1.59 -0.11 0.00 0.47 0.00 0.00 36.82 40.37 1jtb h ILE 54 CO 0.16 0.31 -0.54 0.00 -3.07 0.00 0.00 178.15 175.01 1jtb n ALA 55 N -2.37 -0.59 0.00 0.18 0.00 0.89 -1.20 120.51 117.44 1jtb n ALA 55 Ca -0.05 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.18 1jtb n ALA 55 Cb 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -5.17 0.00 -1.22 0.00 0.63 -0.63 -0.08 116.66 110.18 1jtb n ARG 56 Ca 0.02 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.99 1jtb n ARG 56 Cb 0.24 0.00 0.07 0.00 0.45 0.00 0.00 32.46 33.22 1jtb n ARG 56 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jtb n GLY 57 N -0.94 2.05 0.00 5.14 0.00 -0.65 -5.00 105.19 105.80 1jtb n GLY 57 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 0.06 0.00 0.00 -0.61 2.08 0.88 -4.84 119.36 116.92 1jtb n ILE 58 Ca 0.09 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.40 1jtb n ILE 58 Cb 1.01 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.90 1jtb n ILE 58 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1jtb n HIS 59 N -2.96 0.00 0.00 1.39 8.25 -1.26 -4.88 115.22 115.76 1jtb n HIS 59 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 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 -1.71 0.64 0.00 0.00 176.34 175.27 1jtb n ASN 60 N 0.00 1.68 -2.24 0.41 2.85 -1.26 -5.15 115.26 111.54 1jtb n ASN 60 Ca 0.00 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1jtb n ASN 60 Cb 0.00 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.02 1jtb n ASN 60 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1jtb n LEU 61 N -2.12 -2.72 -2.31 1.20 7.94 -1.25 -4.90 117.00 112.83 1jtb n LEU 61 Ca 0.00 1.62 -0.34 0.00 -1.11 0.00 0.00 56.01 56.18 1jtb n LEU 61 Cb 0.25 -2.12 0.08 0.00 0.53 0.00 0.00 43.42 42.16 1jtb n LEU 61 CO 0.00 -2.19 1.39 -3.20 -1.11 0.00 0.00 177.39 172.28 1jtb n ASN 62 N 2.00 7.55 0.00 1.96 4.05 0.12 -4.92 115.26 126.02 1jtb n ASN 62 Ca -0.02 -3.79 0.00 0.00 0.45 0.00 0.00 54.58 51.22 1jtb n ASN 62 Cb 0.03 -0.94 0.00 0.00 1.23 0.00 0.00 39.78 40.10 1jtb n ASN 62 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1jtb n LEU 63 N -0.91 0.00 -0.31 1.20 -0.00 -1.26 -0.06 117.00 115.66 1jtb n LEU 63 Ca 0.62 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.77 1jtb n LEU 63 Cb 0.68 0.00 0.29 0.00 -0.00 0.00 0.00 43.42 44.39 1jtb n LEU 63 CO 0.78 0.00 0.90 0.78 -0.00 0.00 0.00 177.39 179.85 1jtb h ASN 64 N 0.00 -0.15 -0.31 1.96 4.21 -1.97 0.72 115.58 120.05 1jtb h ASN 64 Ca 0.00 0.22 -0.05 0.00 1.21 0.00 0.00 56.30 57.68 1jtb h ASN 64 Cb 0.00 0.33 -0.01 0.00 -1.12 0.00 0.00 38.32 37.52 1jtb h ASN 64 CO 0.00 -0.23 0.00 -0.55 -1.29 0.00 0.00 177.43 175.37 1jtb h ASN 65 N 0.13 0.53 -0.09 5.81 -1.07 -0.87 -2.22 115.58 117.82 1jtb h ASN 65 Ca 0.57 -0.31 0.03 0.00 0.07 0.00 0.00 56.30 56.66 1jtb h ASN 65 Cb 1.17 -0.14 -0.04 0.00 -2.07 0.00 0.00 38.32 37.24 1jtb h ASN 65 CO -0.73 0.71 -0.12 0.00 0.07 0.00 0.00 177.43 177.36 1jtb h ALA 66 N 0.84 -0.06 0.00 4.14 0.00 0.17 0.17 119.26 124.53 1jtb h ALA 66 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1jtb h ALA 66 Cb 0.43 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1jtb h ALA 66 CO 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 179.25 178.68 1jtb n ALA 67 N -2.46 1.30 0.53 0.00 0.00 0.45 -0.32 120.51 120.01 1jtb n ALA 67 Ca -0.04 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.47 1jtb n ALA 67 Cb 0.18 -1.07 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.39 0.77 0.08 0.00 2.88 0.48 -4.47 113.62 111.97 1jtb n SER 68 Ca 0.02 -0.57 -0.12 0.00 -1.33 0.00 0.00 58.87 56.87 1jtb n SER 68 Cb 0.04 1.35 -0.05 0.00 -0.75 0.00 0.00 64.21 64.80 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 0.62 -0.66 2.46 1.08 0.61 -0.55 117.51 121.07 1jtb h ILE 69 Ca 0.00 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.61 1jtb h ILE 69 Cb 0.61 0.62 -0.11 0.00 -3.07 0.00 0.00 36.82 34.87 1jtb h ILE 69 CO 0.00 0.00 0.04 -0.65 -0.69 0.00 0.00 178.15 176.85 1jtb h PRO 70 N -0.30 0.14 0.35 2.37 0.11 -1.78 0.14 132.00 133.03 1jtb h PRO 70 Ca 0.03 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 1jtb h PRO 70 Cb 0.33 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1jtb h PRO 70 CO -0.11 0.10 -0.17 0.77 -0.21 0.00 0.00 178.00 178.37 1jtb h SER 71 N 0.15 -0.40 -1.32 -2.05 0.02 -1.78 -2.52 113.55 105.64 1jtb h SER 71 Ca 0.35 0.01 0.39 0.00 -0.84 0.00 0.00 61.79 61.70 1jtb h SER 71 Cb 0.59 0.10 -0.08 0.00 0.14 0.00 0.00 62.40 63.15 1jtb h SER 71 CO -0.54 -0.22 0.92 0.50 -1.14 0.00 0.00 176.83 176.35 1jtb h LYS 72 N -0.60 0.09 -0.65 3.45 3.64 -0.59 -1.31 116.57 120.60 1jtb h LYS 72 Ca -0.05 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1jtb h LYS 72 Cb 0.36 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1jtb h LYS 72 CO 0.08 0.06 0.00 0.00 -2.27 0.00 0.00 179.45 177.32 1jtb n ASN 74 N 1.26 -0.58 0.00 0.00 5.15 -0.49 -4.71 115.26 115.88 1jtb n ASN 74 Ca 0.24 -1.04 0.00 0.00 -0.60 0.00 0.00 54.58 53.17 1jtb n ASN 74 Cb 0.72 -2.81 0.00 0.00 -0.53 0.00 0.00 39.78 37.16 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 -4.42 0.17 0.00 3.44 3.14 -0.98 -4.90 118.33 114.78 1jtb n VAL 75 Ca -0.26 -0.57 0.00 0.00 -2.96 0.00 0.00 64.34 60.55 1jtb n VAL 75 Cb 0.66 0.93 0.00 0.00 -1.06 0.00 0.00 33.84 34.37 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 -0.08 0.00 0.00 6.55 0.23 -1.23 -4.87 115.26 115.86 1jtb n ASN 76 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1jtb n ASN 76 Cb 0.05 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 1jtb n ASN 76 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 1jtb n VAL 77 N 0.00 0.00 -0.59 3.53 3.14 -1.26 -4.70 118.33 118.45 1jtb n VAL 77 Ca 0.00 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 1jtb n VAL 77 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 1jtb n VAL 77 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1jtb n PRO 78 N 0.00 0.26 -4.73 1.45 -0.02 -1.26 -4.86 135.00 125.83 1jtb n PRO 78 Ca 0.00 -1.12 -0.31 0.00 -2.02 0.00 0.00 63.50 60.05 1jtb n PRO 78 Cb 0.00 -2.55 -0.13 0.00 -0.02 0.00 0.00 33.50 30.80 1jtb n PRO 78 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1jtb s TYR 79 N 6.57 2.54 0.00 6.00 6.14 -1.26 -4.92 117.35 132.43 1jtb s TYR 79 Ca 0.64 -0.27 0.00 0.00 0.64 0.00 0.00 57.07 58.09 1jtb s TYR 79 Cb 0.14 -1.48 0.00 0.00 0.42 0.00 0.00 41.96 41.05 1jtb s TYR 79 CO 0.30 0.22 0.00 2.41 0.64 0.00 0.00 175.55 179.12 1jtb n THR 80 N 1.69 0.00 -1.52 4.34 -1.04 -1.26 -4.75 114.28 111.73 1jtb n THR 80 Ca -0.16 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.82 1jtb n THR 80 Cb 0.52 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.03 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 -4.06 12.58 2.08 -1.26 -4.82 119.36 123.88 1jtb n ILE 81 Ca 0.00 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.22 1jtb n ILE 81 Cb 0.00 -0.03 -0.11 0.00 -0.75 0.00 0.00 39.64 38.76 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 -0.98 0.55 0.10 4.38 0.01 -1.26 -4.78 113.70 111.72 1jtb s SER 82 Ca 0.05 -0.74 -0.23 0.00 1.31 0.00 0.00 55.95 56.33 1jtb s SER 82 Cb -0.03 0.12 -0.12 0.00 0.21 0.00 0.00 66.02 66.21 1jtb s SER 82 CO 0.06 -0.41 1.72 -0.65 0.41 0.00 0.00 173.24 174.37 1jtb h PRO 83 N 3.90 -0.07 -0.73 12.44 0.11 -2.02 -2.45 132.00 143.18 1jtb h PRO 83 Ca -0.34 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.32 1jtb h PRO 83 Cb 1.18 0.02 -0.42 0.00 0.11 0.00 0.00 31.00 31.89 1jtb h PRO 83 CO 0.52 -0.05 -0.91 -3.47 -0.21 0.00 0.00 178.00 173.88 1jtb n ASP 84 N -5.15 3.81 0.00 -2.05 2.03 -1.26 -4.65 116.55 109.28 1jtb n ASP 84 Ca -0.06 -3.21 0.00 0.00 0.52 0.00 0.00 54.79 52.04 1jtb n ASP 84 Cb 0.08 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 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 -0.64 0.00 -1.09 5.18 0.00 -0.93 -4.72 119.36 117.17 1jtb n ILE 85 Ca 0.32 0.00 -0.25 0.00 0.00 0.00 0.00 62.75 62.81 1jtb n ILE 85 Cb 0.89 0.00 -0.08 0.00 0.00 0.00 0.00 39.64 40.45 1jtb n ILE 85 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1jtb n ASP 86 N 0.00 6.73 0.00 9.51 9.92 -1.26 -4.88 116.55 136.57 1jtb n ASP 86 Ca 0.00 -2.48 0.00 0.00 -0.53 0.00 0.00 54.79 51.78 1jtb n ASP 86 Cb 0.00 -1.41 0.00 0.00 -0.64 0.00 0.00 41.12 39.07 1jtb n ASP 86 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jtb n SER 88 N -0.37 0.99 -3.79 0.00 2.88 -1.26 -4.60 113.62 107.47 1jtb n SER 88 Ca 0.00 -0.49 -0.42 0.00 -1.33 0.00 0.00 58.87 56.63 1jtb n SER 88 Cb 0.00 1.32 0.01 0.00 -0.75 0.00 0.00 64.21 64.79 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 -1.66 4.99 -4.64 -1.46 1.85 -0.39 -4.93 116.66 110.41 1jtb n ARG 89 Ca 0.00 -4.56 -0.29 0.00 -1.00 0.00 0.00 57.85 52.00 1jtb n ARG 89 Cb 0.32 -2.50 -0.08 0.00 -1.05 0.00 0.00 32.46 29.15 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 -3.50 0.84 0.00 8.89 1.01 -1.26 -4.84 121.20 122.34 1jtb s ILE 90 Ca 0.36 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 59.01 1jtb s ILE 90 Cb 0.13 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.36 1jtb s ILE 90 CO -0.02 0.00 0.18 -1.22 0.00 0.00 0.00 174.94 173.87