#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 -0.36 1.45 4.13 -1.26 -4.75 115.26 114.47 1jtb n ASN 2 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1jtb n ASN 2 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 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 3.31 1.90 0.41 0.00 0.00 -1.26 -4.45 105.19 105.10 1jtb n GLY 4 Ca 0.00 -0.22 0.22 0.00 0.00 0.00 0.00 46.02 46.02 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 0.38 0.00 1.61 4.20 -1.88 -0.06 115.11 119.36 1jtb h GLN 5 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1jtb h GLN 5 Cb 0.00 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1jtb h GLN 5 CO 0.00 0.25 0.00 0.28 -0.67 0.00 0.00 178.83 178.69 1jtb n VAL 6 N -4.61 0.00 -0.36 -0.54 0.31 -1.26 -1.52 118.33 110.35 1jtb n VAL 6 Ca 0.25 0.98 0.04 0.00 -0.01 0.00 0.00 64.34 65.59 1jtb n VAL 6 Cb 0.86 -1.75 0.10 0.00 -0.91 0.00 0.00 33.84 32.14 1jtb n VAL 6 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1jtb n ASP 7 N -0.69 -0.45 -0.28 4.52 2.03 -0.85 0.85 116.55 121.68 1jtb n ASP 7 Ca 0.00 1.69 0.09 0.00 0.52 0.00 0.00 54.79 57.09 1jtb n ASP 7 Cb 0.00 -0.47 0.24 0.00 -0.72 0.00 0.00 41.12 40.17 1jtb n ASP 7 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1jtb h SER 8 N 0.00 0.12 -0.16 1.67 0.87 -0.90 0.88 113.55 116.03 1jtb h SER 8 Ca 0.43 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 61.14 1jtb h SER 8 Cb 0.67 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1jtb h SER 8 CO -0.99 -0.04 0.00 0.29 -0.53 0.00 0.00 176.83 175.56 1jtb n LYS 9 N -5.12 2.82 0.00 2.24 4.76 0.89 -4.63 118.16 119.11 1jtb n LYS 9 Ca 0.18 -1.90 0.00 0.00 -2.87 0.00 0.00 58.31 53.72 1jtb n LYS 9 Cb 0.56 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.54 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 -0.16 3.40 -0.04 1.97 2.81 0.25 -1.80 117.12 123.55 1jtb n MET 10 Ca 0.07 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.82 1jtb n MET 10 Cb 0.39 -0.28 -0.10 0.00 -0.71 0.00 0.00 33.22 32.53 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 -0.51 0.00 0.03 1.63 0.63 0.39 116.57 118.75 1jtb h LYS 11 Ca 0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1jtb h LYS 11 Cb 0.00 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1jtb h LYS 11 CO 0.00 -0.34 0.15 -1.00 -3.45 0.00 0.00 179.45 174.81 1jtb h PRO 12 N -0.53 0.00 0.14 1.90 0.13 -1.86 0.40 132.00 132.19 1jtb h PRO 12 Ca 0.04 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.81 1jtb h PRO 12 Cb 0.64 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 1jtb h PRO 12 CO -0.46 0.00 -1.88 0.00 -0.23 0.00 0.00 178.00 175.44 1jtb h LEU 14 N 0.08 -0.35 -0.08 0.00 5.85 0.73 -0.17 115.31 121.36 1jtb h LEU 14 Ca -0.38 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.29 1jtb h LEU 14 Cb 2.06 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 43.11 1jtb h LEU 14 CO 0.12 -0.14 -0.48 0.71 -0.34 0.00 0.00 178.44 178.31 1jtb h THR 15 N -0.55 0.07 -0.78 1.05 1.35 -0.36 -2.04 112.91 111.65 1jtb h THR 15 Ca -0.04 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.89 1jtb h THR 15 Cb 0.41 0.07 -0.10 0.00 -1.73 0.00 0.00 68.15 66.80 1jtb h THR 15 CO 0.07 0.00 -0.52 0.22 -0.25 0.00 0.00 175.52 175.04 1jtb h TYR 16 N -0.57 -1.67 -0.80 4.73 3.20 -1.03 0.50 116.97 121.33 1jtb h TYR 16 Ca 0.05 0.11 0.04 0.00 3.14 0.00 0.00 58.73 62.06 1jtb h TYR 16 Cb 0.67 0.83 -0.05 0.00 1.54 0.00 0.00 36.73 39.72 1jtb h TYR 16 CO -0.51 -0.36 0.50 -0.39 -1.64 0.00 0.00 178.16 175.76 1jtb h VAL 17 N -0.08 1.10 0.00 1.81 -1.51 -0.43 -2.07 116.25 115.07 1jtb h VAL 17 Ca 0.13 -0.33 -0.07 0.00 -1.23 0.00 0.00 66.70 65.20 1jtb h VAL 17 Cb 0.40 0.05 -0.01 0.00 -2.13 0.00 0.00 31.29 29.60 1jtb h VAL 17 CO -0.78 0.18 -0.33 0.06 -1.23 0.00 0.00 177.57 175.47 1jtb h GLN 18 N 0.97 0.00 0.00 5.19 3.07 -0.68 0.35 115.11 124.01 1jtb h GLN 18 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.07 1jtb h GLN 18 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.61 1jtb h GLN 18 CO -0.13 0.33 0.00 0.41 0.09 0.00 0.00 178.83 179.53 1jtb n GLY 19 N 0.83 0.69 2.91 0.06 0.00 0.16 -3.52 105.19 106.32 1jtb n GLY 19 Ca 0.02 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 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 3.64 2.32 -0.02 0.00 -0.06 -4.97 105.19 106.10 1jtb n GLY 20 Ca 0.00 -2.30 -0.43 0.00 0.00 0.00 0.00 46.02 43.29 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 -0.98 0.00 0.00 1.61 -0.04 -1.26 -4.17 135.00 130.16 1jtb n PRO 21 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1jtb n PRO 21 Cb 0.52 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 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 5.01 3.33 3.71 0.55 0.00 -1.26 -4.39 105.19 112.14 1jtb n GLY 22 Ca 0.37 -1.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.42 4.23 0.40 1.61 0.04 -1.26 -4.60 135.00 133.00 1jtb s PRO 23 Ca 0.00 0.14 0.06 0.00 0.04 0.00 0.00 61.00 61.24 1jtb s PRO 23 Cb 0.00 -3.47 -0.07 0.00 0.04 0.00 0.00 34.50 31.00 1jtb s PRO 23 CO 0.00 0.14 0.02 -1.12 0.04 0.00 0.00 177.00 176.08 1jtb s SER 24 N 0.70 3.57 0.06 6.66 0.01 -1.26 -5.02 113.70 118.41 1jtb s SER 24 Ca 0.18 -1.40 -0.11 0.00 1.31 0.00 0.00 55.95 55.92 1jtb s SER 24 Cb -0.14 -0.26 -0.03 0.00 0.21 0.00 0.00 66.02 65.81 1jtb s SER 24 CO 0.06 -0.52 0.69 0.61 0.41 0.00 0.00 173.24 174.48 1jtb n GLY 25 N -0.93 -1.33 0.34 3.44 0.00 -1.26 -0.81 105.19 104.63 1jtb n GLY 25 Ca -0.05 0.51 0.18 0.00 0.00 0.00 0.00 46.02 46.65 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 -4.10 -0.08 0.18 1.61 0.00 -1.26 -0.61 120.64 116.39 1jtb n GLU 26 Ca 0.01 1.46 -0.14 0.00 0.00 0.00 0.00 57.16 58.49 1jtb n GLU 26 Cb 0.10 -2.37 -0.08 0.00 0.00 0.00 0.00 31.44 29.08 1jtb n GLU 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jtb h ASN 29 N 0.05 0.71 0.08 0.00 -1.07 -0.99 -0.69 115.58 113.66 1jtb h ASN 29 Ca 0.05 -0.32 -0.00 0.00 0.07 0.00 0.00 56.30 56.11 1jtb h ASN 29 Cb 0.06 -0.19 -0.01 0.00 -2.07 0.00 0.00 38.32 36.11 1jtb h ASN 29 CO -0.08 0.85 -0.10 1.23 0.07 0.00 0.00 177.43 179.40 1jtb h GLY 30 N 0.54 -0.93 -0.44 9.14 0.00 -0.43 0.26 103.07 111.23 1jtb h GLY 30 Ca 0.11 0.41 0.04 0.00 0.00 0.00 0.00 47.33 47.89 1jtb h GLY 30 CO 0.02 -0.33 -0.26 -0.62 0.00 0.00 0.00 176.54 175.36 1jtb n VAL 31 N -2.93 -0.30 0.00 4.60 0.31 0.20 0.11 118.33 120.33 1jtb n VAL 31 Ca -0.02 1.26 -0.11 0.00 -0.01 0.00 0.00 64.34 65.45 1jtb n VAL 31 Cb 0.09 -1.58 -0.05 0.00 -0.91 0.00 0.00 33.84 31.39 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 -0.43 0.00 5.55 1.12 -0.96 0.22 114.38 119.88 1jtb h ARG 32 Ca 0.07 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.97 1jtb h ARG 32 Cb 0.18 0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.24 1jtb h ARG 32 CO -0.41 -0.29 0.00 -3.47 -3.11 0.00 0.00 179.97 172.69 1jtb n ASP 33 N -5.43 0.00 -0.08 -3.80 2.03 0.27 -2.43 116.55 107.12 1jtb n ASP 33 Ca -0.04 0.45 -0.02 0.00 0.52 0.00 0.00 54.79 55.71 1jtb n ASP 33 Cb 0.35 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.73 1jtb n ASP 33 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1jtb n LEU 34 N -0.70 -0.18 -0.31 -2.67 7.99 0.30 0.23 117.00 121.66 1jtb n LEU 34 Ca 0.00 0.33 0.04 0.00 -0.01 0.00 0.00 56.01 56.36 1jtb n LEU 34 Cb 0.00 -0.05 0.12 0.00 -0.11 0.00 0.00 43.42 43.38 1jtb n LEU 34 CO 0.00 -0.27 0.70 -0.74 -1.51 0.00 0.00 177.39 175.57 1jtb h HIS 35 N 0.00 -0.43 0.00 -1.77 2.76 -0.24 0.91 115.15 116.37 1jtb h HIS 35 Ca 0.03 0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1jtb h HIS 35 Cb 0.08 0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.37 1jtb h HIS 35 CO -0.18 -0.37 -1.30 0.09 -1.30 0.00 0.00 177.93 174.86 1jtb n ASN 36 N -5.55 0.60 -1.51 3.26 3.02 0.63 -4.28 115.26 111.42 1jtb n ASN 36 Ca 0.13 0.23 0.02 0.00 -0.03 0.00 0.00 54.58 54.93 1jtb n ASN 36 Cb 0.45 0.91 0.30 0.00 -0.61 0.00 0.00 39.78 40.83 1jtb n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jtb n GLN 37 N -2.55 3.55 0.00 3.52 6.02 0.42 -4.38 117.38 123.96 1jtb n GLN 37 Ca -0.01 -3.04 0.00 0.00 -0.01 0.00 0.00 57.00 53.94 1jtb n GLN 37 Cb 0.56 -2.07 0.00 0.00 1.02 0.00 0.00 30.24 29.75 1jtb n GLN 37 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jtb n ALA 38 N -0.20 -0.02 -0.57 -1.58 0.00 0.29 -4.60 120.51 113.84 1jtb n ALA 38 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1jtb n ALA 38 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.59 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 -1.25 0.00 0.00 0.00 6.02 -1.26 -4.72 117.38 116.17 1jtb n GLN 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1jtb n GLN 39 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1jtb n GLN 39 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1jtb n SER 40 N -1.34 0.00 0.00 1.08 3.41 -1.26 -5.06 113.62 110.45 1jtb n SER 40 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1jtb n SER 40 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1jtb n SER 40 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1jtb n SER 41 N -0.09 0.00 0.00 4.04 2.88 -1.26 -4.88 113.62 114.31 1jtb n SER 41 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1jtb n SER 41 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 4.72 0.00 0.28 0.46 0.00 -1.26 -1.38 105.19 108.01 1jtb n GLY 42 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.47 -0.02 -0.36 1.61 8.00 -1.26 0.12 116.55 121.17 1jtb n ASP 43 Ca 0.00 1.39 0.03 0.00 0.71 0.00 0.00 54.79 56.91 1jtb n ASP 43 Cb 0.00 -0.54 0.17 0.00 -0.02 0.00 0.00 41.12 40.73 1jtb n ASP 43 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1jtb h ARG 44 N 0.00 1.09 -0.28 -1.24 -0.00 -1.55 0.45 114.38 112.85 1jtb h ARG 44 Ca 0.54 -0.07 0.07 0.00 -0.50 0.00 0.00 59.98 60.03 1jtb h ARG 44 Cb 1.19 -0.25 -0.01 0.00 0.00 0.00 0.00 29.97 30.90 1jtb h ARG 44 CO -0.75 0.72 0.20 1.96 0.00 0.00 0.00 179.97 182.10 1jtb h GLN 45 N 1.12 0.03 0.10 0.04 4.20 0.79 0.28 115.11 121.67 1jtb h GLN 45 Ca 0.43 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.13 1jtb h GLN 45 Cb 0.19 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1jtb h GLN 45 CO -0.18 0.02 -0.05 1.15 -0.67 0.00 0.00 178.83 179.10 1jtb h THR 46 N 0.03 1.09 -0.55 -0.54 2.02 -0.04 -3.19 112.91 111.73 1jtb h THR 46 Ca 0.13 -1.22 0.10 0.00 0.77 0.00 0.00 66.41 66.19 1jtb h THR 46 Cb 0.48 1.81 -0.11 0.00 -1.74 0.00 0.00 68.15 68.60 1jtb h THR 46 CO -0.01 0.27 -0.29 0.58 0.37 0.00 0.00 175.52 176.45 1jtb h VAL 47 N -0.75 0.23 -0.90 3.16 2.07 0.64 0.15 116.25 120.84 1jtb h VAL 47 Ca -0.01 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.74 1jtb h VAL 47 Cb 0.56 0.23 -0.17 0.00 -1.52 0.00 0.00 31.29 30.39 1jtb h VAL 47 CO 0.02 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.58 1jtb h ASN 49 N 0.00 0.41 -0.75 0.00 2.35 -0.73 0.38 115.58 117.24 1jtb h ASN 49 Ca 0.52 -0.37 0.05 0.00 -0.55 0.00 0.00 56.30 55.94 1jtb h ASN 49 Cb 1.01 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 39.22 1jtb h ASN 49 CO -0.86 0.69 0.46 0.00 -1.65 0.00 0.00 177.43 176.07 1jtb h LEU 51 N 0.86 -0.89 -0.99 0.00 3.38 -0.40 -1.23 115.31 116.04 1jtb h LEU 51 Ca 0.32 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.49 1jtb h LEU 51 Cb 0.11 0.23 -0.18 0.00 0.09 0.00 0.00 40.66 40.91 1jtb h LEU 51 CO -0.15 -0.58 -0.28 0.29 0.09 0.00 0.00 178.44 177.82 1jtb n LYS 52 N -5.51 -0.12 0.20 1.13 5.02 0.13 -0.78 118.16 118.23 1jtb n LYS 52 Ca -0.14 1.53 -0.08 0.00 -2.02 0.00 0.00 58.31 57.60 1jtb n LYS 52 Cb 0.43 -2.29 -0.04 0.00 -0.02 0.00 0.00 35.03 33.11 1jtb n LYS 52 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1jtb h GLY 53 N 0.00 -0.54 -0.34 0.72 0.00 -0.82 -0.21 103.07 101.88 1jtb h GLY 53 Ca 0.44 0.20 0.14 0.00 0.00 0.00 0.00 47.33 48.11 1jtb h GLY 53 CO -1.01 -0.19 -0.14 1.19 0.00 0.00 0.00 176.54 176.39 1jtb h ILE 54 N -0.64 0.33 -1.00 2.60 2.10 -0.67 0.28 117.51 120.51 1jtb h ILE 54 Ca -0.05 -0.01 0.23 0.00 1.08 0.00 0.00 64.86 66.11 1jtb h ILE 54 Cb 0.39 0.31 -0.10 0.00 -1.09 0.00 0.00 36.82 36.34 1jtb h ILE 54 CO 0.09 0.00 0.63 0.00 -1.08 0.00 0.00 178.15 177.78 1jtb h ALA 55 N 1.67 1.94 -1.00 0.18 0.00 -0.92 0.32 119.26 121.46 1jtb h ALA 55 Ca 0.34 0.08 0.33 0.00 0.00 0.00 0.00 54.91 55.65 1jtb h ALA 55 Cb 0.53 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.14 1jtb h ALA 55 CO -0.68 -0.33 0.54 -0.09 0.00 0.00 0.00 179.25 178.68 1jtb h ARG 56 N 0.57 0.28 0.00 0.00 2.43 0.15 -3.26 114.38 114.54 1jtb h ARG 56 Ca 0.58 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.74 1jtb h ARG 56 Cb 1.19 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1jtb h ARG 56 CO -0.35 0.18 -0.61 0.41 -1.51 0.00 0.00 179.97 178.09 1jtb n GLY 57 N -1.29 0.00 0.00 2.80 0.00 -0.67 -5.03 105.19 101.00 1jtb n GLY 57 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.00 0.00 0.00 -0.61 5.41 0.11 -4.93 119.36 118.34 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 0.05 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.98 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 -0.45 0.00 -2.98 1.39 8.25 -1.26 -4.96 115.22 115.21 1jtb n HIS 59 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 1jtb n HIS 59 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 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 4.81 -4.57 0.41 5.15 -1.23 -5.03 115.26 114.80 1jtb n ASN 60 Ca 0.00 -3.65 -0.39 0.00 -0.60 0.00 0.00 54.58 49.94 1jtb n ASN 60 Cb 0.00 -0.67 -0.03 0.00 -0.53 0.00 0.00 39.78 38.54 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 -0.02 2.70 0.05 1.20 7.94 -1.26 -4.07 117.00 123.55 1jtb n LEU 61 Ca 0.33 -0.20 -0.20 0.00 -1.11 0.00 0.00 56.01 54.82 1jtb n LEU 61 Cb 0.37 -1.57 -0.13 0.00 0.53 0.00 0.00 43.42 42.62 1jtb n LEU 61 CO 0.38 -1.20 0.07 -1.13 -1.11 0.00 0.00 177.39 174.41 1jtb h ASN 62 N 17.64 0.60 0.00 1.96 -0.73 -0.58 -3.48 115.58 130.99 1jtb h ASN 62 Ca -0.31 -0.87 0.00 0.00 1.87 0.00 0.00 56.30 56.99 1jtb h ASN 62 Cb 1.26 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 39.66 1jtb h ASN 62 CO 1.08 1.41 0.00 0.18 -0.37 0.00 0.00 177.43 179.72 1jtb n LEU 63 N -4.06 0.00 -0.24 0.34 4.77 -1.26 -4.39 117.00 112.16 1jtb n LEU 63 Ca -0.13 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.87 1jtb n LEU 63 Cb 0.83 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 42.02 1jtb n LEU 63 CO 0.51 0.00 0.75 0.78 -1.33 0.00 0.00 177.39 178.10 1jtb h ASN 64 N 0.00 -0.57 -0.35 -1.43 2.35 -1.96 0.50 115.58 114.13 1jtb h ASN 64 Ca 0.00 0.21 0.04 0.00 -0.55 0.00 0.00 56.30 56.00 1jtb h ASN 64 Cb 0.00 0.41 -0.07 0.00 0.05 0.00 0.00 38.32 38.71 1jtb h ASN 64 CO 0.00 -0.22 -0.52 -1.13 -1.65 0.00 0.00 177.43 173.92 1jtb h ASN 65 N 0.02 -1.71 -0.62 5.81 -1.24 -1.95 0.76 115.58 116.65 1jtb h ASN 65 Ca 0.35 0.22 0.10 0.00 0.71 0.00 0.00 56.30 57.69 1jtb h ASN 65 Cb 0.57 0.70 -0.08 0.00 0.73 0.00 0.00 38.32 40.23 1jtb h ASN 65 CO -0.71 -0.38 0.22 0.00 -1.29 0.00 0.00 177.43 175.27 1jtb h ALA 66 N -0.17 0.80 0.00 1.57 0.00 -0.52 0.38 119.26 121.32 1jtb h ALA 66 Ca 0.06 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1jtb h ALA 66 Cb 0.56 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1jtb h ALA 66 CO -0.53 -0.22 -0.06 0.00 0.00 0.00 0.00 179.25 178.43 1jtb h ALA 67 N 1.45 1.42 0.00 0.00 0.00 0.16 0.26 119.26 122.54 1jtb h ALA 67 Ca 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1jtb h ALA 67 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1jtb h ALA 67 CO -0.34 0.08 -0.75 1.03 0.00 0.00 0.00 179.25 179.27 1jtb h SER 68 N 0.00 0.00 -0.15 0.00 0.87 0.42 -3.37 113.55 111.32 1jtb h SER 68 Ca -0.00 -0.16 0.05 0.00 -1.23 0.00 0.00 61.79 60.45 1jtb h SER 68 Cb 0.17 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.07 1jtb h SER 68 CO 0.01 0.08 -0.25 0.40 -0.53 0.00 0.00 176.83 176.53 1jtb h ILE 69 N 0.00 0.40 -0.53 2.23 1.08 0.31 -1.25 117.51 119.74 1jtb h ILE 69 Ca 0.00 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.57 1jtb h ILE 69 Cb 0.83 0.40 -0.11 0.00 -3.07 0.00 0.00 36.82 34.87 1jtb h ILE 69 CO 0.00 0.00 -0.28 -0.65 -0.69 0.00 0.00 178.15 176.53 1jtb h PRO 70 N -0.31 -0.14 -0.55 2.37 0.11 -1.73 0.47 132.00 132.22 1jtb h PRO 70 Ca 0.11 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 1jtb h PRO 70 Cb 0.47 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.59 1jtb h PRO 70 CO -0.32 -0.09 0.34 0.77 -0.21 0.00 0.00 178.00 178.48 1jtb h SER 71 N -0.15 0.65 1.24 -2.05 0.02 -1.76 -0.27 113.55 111.23 1jtb h SER 71 Ca 0.23 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 1jtb h SER 71 Cb 0.52 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1jtb h SER 71 CO -0.62 0.51 -0.41 0.07 -1.14 0.00 0.00 176.83 175.25 1jtb h LYS 72 N 0.74 0.00 0.00 3.45 5.09 0.02 -3.36 116.57 122.51 1jtb h LYS 72 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.94 1jtb h LYS 72 Cb -0.03 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.30 1jtb h LYS 72 CO -0.04 0.41 -1.22 0.00 -2.09 0.00 0.00 179.45 176.51 1jtb n ASN 74 N -1.69 -2.74 -0.04 0.00 5.15 -0.13 -4.76 115.26 111.03 1jtb n ASN 74 Ca 0.01 -0.31 0.03 0.00 -0.60 0.00 0.00 54.58 53.71 1jtb n ASN 74 Cb 0.35 -2.73 0.05 0.00 -0.53 0.00 0.00 39.78 36.92 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 -2.44 1.17 -0.51 3.44 3.14 -1.16 -4.84 118.33 117.13 1jtb n VAL 75 Ca -0.10 -1.29 0.00 0.00 -2.96 0.00 0.00 64.34 59.98 1jtb n VAL 75 Cb 0.57 0.30 0.00 0.00 -1.06 0.00 0.00 33.84 33.65 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 -0.75 0.00 -4.00 6.55 2.04 -1.26 -4.92 115.26 112.92 1jtb n ASN 76 Ca 0.05 0.00 -0.14 0.00 -0.44 0.00 0.00 54.58 54.05 1jtb n ASN 76 Cb 0.41 0.00 -0.13 0.00 -2.53 0.00 0.00 39.78 37.53 1jtb n ASN 76 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1jtb s VAL 77 N -0.56 0.43 0.21 3.53 0.11 -1.26 -5.06 120.40 117.80 1jtb s VAL 77 Ca 0.00 -0.61 0.03 0.00 -2.93 0.00 0.00 61.98 58.47 1jtb s VAL 77 Cb 0.00 -0.44 -0.07 0.00 -1.53 0.00 0.00 36.38 34.34 1jtb s VAL 77 CO 0.00 -0.13 1.51 -0.65 -3.33 0.00 0.00 175.10 172.49 1jtb h PRO 78 N 5.31 0.24 -2.47 1.54 0.11 -1.94 -3.47 132.00 131.33 1jtb h PRO 78 Ca -0.31 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1jtb h PRO 78 Cb 1.20 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1jtb h PRO 78 CO 0.46 0.83 0.00 0.98 -0.21 0.00 0.00 178.00 180.06 1jtb n TYR 79 N -3.82 0.00 0.00 0.65 9.36 -1.26 -3.64 117.16 118.45 1jtb n TYR 79 Ca -0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.19 1jtb n TYR 79 Cb 0.67 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.38 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 -0.35 0.00 -3.35 2.97 -1.04 -0.84 -4.64 114.28 107.03 1jtb n THR 80 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 1jtb n THR 80 Cb 0.00 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.59 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 -6.44 -3.98 12.58 2.08 -1.24 -5.04 119.36 117.32 1jtb n ILE 81 Ca 0.00 -0.65 -0.09 0.00 0.56 0.00 0.00 62.75 62.57 1jtb n ILE 81 Cb 0.00 -5.22 -0.10 0.00 -0.75 0.00 0.00 39.64 33.57 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 -4.13 0.26 0.12 4.38 0.01 -1.26 -4.83 113.70 108.25 1jtb s SER 82 Ca 0.09 -0.61 -0.22 0.00 1.31 0.00 0.00 55.95 56.52 1jtb s SER 82 Cb -0.01 0.18 -0.05 0.00 0.21 0.00 0.00 66.02 66.35 1jtb s SER 82 CO 0.71 -0.46 1.69 1.55 0.41 0.00 0.00 173.24 177.14 1jtb h PRO 83 N 3.88 -0.12 -3.17 12.44 0.13 -1.97 -2.77 132.00 140.43 1jtb h PRO 83 Ca -0.33 0.01 -0.71 0.00 -0.87 0.00 0.00 66.00 64.11 1jtb h PRO 83 Cb 1.18 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1jtb h PRO 83 CO 0.50 -0.08 3.15 -0.40 -0.23 0.00 0.00 178.00 180.95 1jtb n ASP 84 N -5.24 7.16 -4.65 1.44 5.75 -1.26 -4.73 116.55 115.02 1jtb n ASP 84 Ca -0.04 -2.83 -0.43 0.00 -0.01 0.00 0.00 54.79 51.49 1jtb n ASP 84 Cb 0.16 -1.52 -0.02 0.00 -1.03 0.00 0.00 41.12 38.70 1jtb n ASP 84 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 1jtb s ILE 85 N 1.38 4.33 -1.68 2.12 2.07 -1.05 -4.88 121.20 123.49 1jtb s ILE 85 Ca 0.58 1.57 0.20 0.00 -1.41 0.00 0.00 60.65 61.59 1jtb s ILE 85 Cb 0.16 -4.15 0.66 0.00 0.13 0.00 0.00 42.46 39.26 1jtb s ILE 85 CO -0.07 -0.30 1.56 0.47 -1.91 0.00 0.00 174.94 174.70 1jtb n ASP 86 N 6.92 4.15 0.00 4.50 8.00 -1.26 -4.75 116.55 134.11 1jtb n ASP 86 Ca 0.14 -2.17 0.00 0.00 0.71 0.00 0.00 54.79 53.47 1jtb n ASP 86 Cb 0.46 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 1jtb n ASP 86 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jtb n SER 88 N 0.80 0.68 -2.68 0.00 2.88 -1.26 -3.69 113.62 110.36 1jtb n SER 88 Ca 0.00 0.58 -0.27 0.00 -1.33 0.00 0.00 58.87 57.85 1jtb n SER 88 Cb 0.00 -0.76 -0.02 0.00 -0.75 0.00 0.00 64.21 62.69 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 -2.15 3.29 -4.23 -1.46 0.00 -1.26 -5.04 116.66 105.80 1jtb n ARG 89 Ca 0.05 -4.62 -0.24 0.00 -0.00 0.00 0.00 57.85 53.04 1jtb n ARG 89 Cb 0.39 -2.22 -0.08 0.00 -0.00 0.00 0.00 32.46 30.55 1jtb n ARG 89 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 1jtb s ILE 90 N -5.04 2.59 0.00 8.89 1.10 -1.24 -1.99 121.20 125.51 1jtb s ILE 90 Ca 0.48 -1.83 0.00 0.00 -0.51 0.00 0.00 60.65 58.79 1jtb s ILE 90 Cb 0.35 -2.91 0.00 0.00 0.15 0.00 0.00 42.46 40.05 1jtb s ILE 90 CO -0.16 -0.13 0.00 -1.22 -2.11 0.00 0.00 174.94 171.32