#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 3.04 -4.27 1.45 6.94 -1.26 -5.03 115.26 116.13 1jtb n ASN 2 Ca 0.00 -3.24 -0.43 0.00 -0.02 0.00 0.00 54.58 50.89 1jtb n ASN 2 Cb 0.00 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 36.91 1jtb n ASN 2 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1jtb n GLY 4 N 3.95 -0.07 0.37 0.00 0.00 -1.26 -4.78 105.19 103.40 1jtb n GLY 4 Ca 0.41 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.55 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 0.75 0.00 1.61 7.50 -1.98 -1.90 115.11 121.08 1jtb h GLN 5 Ca 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.11 1jtb h GLN 5 Cb 0.00 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 27.36 1jtb h GLN 5 CO 0.00 0.49 0.00 0.28 -1.50 0.00 0.00 178.83 178.10 1jtb n VAL 6 N -4.64 0.00 -0.11 -0.54 0.31 -1.26 -1.32 118.33 110.77 1jtb n VAL 6 Ca 0.20 1.23 -0.11 0.00 -0.01 0.00 0.00 64.34 65.65 1jtb n VAL 6 Cb 0.50 -1.80 -0.05 0.00 -0.91 0.00 0.00 33.84 31.58 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 -1.46 -1.13 4.52 1.82 -1.80 -0.33 116.42 118.04 1jtb h ASP 7 Ca 0.00 0.21 0.41 0.00 -0.39 0.00 0.00 57.03 57.27 1jtb h ASP 7 Cb 0.00 0.63 -0.14 0.00 0.68 0.00 0.00 39.33 40.50 1jtb h ASP 7 CO 0.00 -0.38 0.69 -0.24 -1.61 0.00 0.00 179.24 177.70 1jtb n SER 8 N -5.41 0.24 -0.04 2.28 2.88 -0.74 -0.56 113.62 112.27 1jtb n SER 8 Ca -0.01 1.34 -0.04 0.00 -1.33 0.00 0.00 58.87 58.83 1jtb n SER 8 Cb 0.35 -0.66 -0.06 0.00 -0.75 0.00 0.00 64.21 63.10 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 -4.71 2.54 -0.30 -1.46 4.76 -0.43 -4.79 118.16 113.78 1jtb n LYS 9 Ca 0.36 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.88 1jtb n LYS 9 Cb 1.33 -1.20 0.21 0.00 -1.84 0.00 0.00 35.03 33.53 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 -2.32 2.43 -0.07 1.97 2.81 -0.18 -4.13 117.12 117.63 1jtb n MET 10 Ca -0.13 -2.67 -0.14 0.00 -1.81 0.00 0.00 57.70 52.95 1jtb n MET 10 Cb 0.74 -1.68 -0.10 0.00 -0.71 0.00 0.00 33.22 31.48 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 1.21 -0.46 -1.32 0.03 1.63 -1.00 0.87 116.57 117.54 1jtb h LYS 11 Ca 0.00 0.03 0.38 0.00 -0.85 0.00 0.00 60.65 60.21 1jtb h LYS 11 Cb 1.23 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 32.92 1jtb h LYS 11 CO 0.13 -0.31 1.18 -1.00 -3.45 0.00 0.00 179.45 176.01 1jtb h PRO 12 N -0.48 0.00 0.11 1.90 0.13 -1.86 1.00 132.00 132.80 1jtb h PRO 12 Ca 0.05 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.99 1jtb h PRO 12 Cb 0.62 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.77 1jtb h PRO 12 CO -0.49 0.00 -0.80 0.00 -0.23 0.00 0.00 178.00 176.48 1jtb h LEU 14 N -0.27 -0.89 -0.67 0.00 5.85 0.22 0.98 115.31 120.52 1jtb h LEU 14 Ca -0.13 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.68 1jtb h LEU 14 Cb 1.59 0.23 -0.08 0.00 0.37 0.00 0.00 40.66 42.77 1jtb h LEU 14 CO 0.15 -0.63 -0.42 0.71 -0.34 0.00 0.00 178.44 177.90 1jtb h THR 15 N -1.05 0.00 -0.88 1.05 1.35 -0.99 0.52 112.91 112.92 1jtb h THR 15 Ca -0.11 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 65.92 1jtb h THR 15 Cb 0.80 0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 67.06 1jtb h THR 15 CO 0.17 0.00 -0.26 0.22 -0.25 0.00 0.00 175.52 175.41 1jtb h TYR 16 N -0.04 -0.60 0.00 4.73 5.03 -0.95 0.82 116.97 125.97 1jtb h TYR 16 Ca 0.11 0.08 -0.16 0.00 2.58 0.00 0.00 58.73 61.34 1jtb h TYR 16 Cb 0.31 0.40 -0.02 0.00 1.55 0.00 0.00 36.73 38.97 1jtb h TYR 16 CO -0.97 -0.39 -0.74 -0.39 -1.32 0.00 0.00 178.16 174.35 1jtb h VAL 17 N -0.01 1.38 0.00 1.81 -1.51 0.24 -2.96 116.25 115.20 1jtb h VAL 17 Ca 0.40 -2.68 -0.10 0.00 -1.23 0.00 0.00 66.70 63.08 1jtb h VAL 17 Cb 0.63 2.51 -0.01 0.00 -2.13 0.00 0.00 31.29 32.29 1jtb h VAL 17 CO -0.91 0.73 -0.50 0.06 -1.23 0.00 0.00 177.57 175.72 1jtb h GLN 18 N 0.00 0.00 0.00 5.19 3.07 0.86 0.36 115.11 124.59 1jtb h GLN 18 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1jtb h GLN 18 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.01 1jtb h GLN 18 CO 0.10 0.50 0.00 0.41 0.09 0.00 0.00 178.83 179.93 1jtb n GLY 19 N 0.30 0.96 3.17 0.06 0.00 0.47 -4.59 105.19 105.56 1jtb n GLY 19 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 3.34 2.71 -0.02 0.00 0.26 -4.94 105.19 106.55 1jtb n GLY 20 Ca 0.00 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.91 0.00 0.00 1.61 -0.02 -1.26 -2.62 135.00 131.80 1jtb n PRO 21 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1jtb n PRO 21 Cb 0.58 -0.81 0.00 0.00 -0.02 0.00 0.00 33.50 33.24 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 1.78 0.84 3.63 -1.23 0.00 -1.26 -3.14 105.19 105.81 1jtb n GLY 22 Ca 0.11 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.59 3.66 0.12 1.61 0.04 -1.26 -5.05 135.00 132.54 1jtb s PRO 23 Ca 0.00 2.31 0.08 0.00 0.04 0.00 0.00 61.00 63.42 1jtb s PRO 23 Cb 0.00 -4.25 -0.04 0.00 0.04 0.00 0.00 34.50 30.25 1jtb s PRO 23 CO 0.00 -1.50 -0.11 -1.12 0.04 0.00 0.00 177.00 174.32 1jtb s SER 24 N 6.19 4.31 0.26 6.66 0.01 -1.26 -5.04 113.70 124.82 1jtb s SER 24 Ca 0.93 -0.45 -0.10 0.00 1.31 0.00 0.00 55.95 57.65 1jtb s SER 24 Cb -0.37 -0.78 0.40 0.00 0.21 0.00 0.00 66.02 65.48 1jtb s SER 24 CO 0.38 0.16 1.50 0.61 0.41 0.00 0.00 173.24 176.30 1jtb n GLY 25 N 0.55 -1.69 0.17 3.44 0.00 -1.26 -2.27 105.19 104.14 1jtb n GLY 25 Ca -0.13 1.04 -0.05 0.00 0.00 0.00 0.00 46.02 46.87 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 -0.17 0.44 1.61 4.11 -1.96 0.67 114.58 119.28 1jtb h GLU 26 Ca 0.44 0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.86 1jtb h GLU 26 Cb 0.68 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1jtb h GLU 26 CO -0.98 -0.11 -0.21 0.00 0.07 0.00 0.00 179.01 177.78 1jtb h ASN 29 N 0.01 1.10 0.65 0.00 7.08 -0.69 -0.75 115.58 122.99 1jtb h ASN 29 Ca 0.45 -0.16 -0.03 0.00 -3.08 0.00 0.00 56.30 53.48 1jtb h ASN 29 Cb 0.75 -0.29 -0.00 0.00 -2.08 0.00 0.00 38.32 36.70 1jtb h ASN 29 CO -0.89 0.96 -0.38 1.23 -2.08 0.00 0.00 177.43 176.27 1jtb h GLY 30 N 1.17 -1.04 -0.50 9.14 0.00 0.26 0.25 103.07 112.36 1jtb h GLY 30 Ca 0.27 0.42 0.18 0.00 0.00 0.00 0.00 47.33 48.21 1jtb h GLY 30 CO -0.03 -0.37 -0.03 -2.08 0.00 0.00 0.00 176.54 174.03 1jtb h VAL 31 N -0.97 0.26 0.85 4.60 2.07 0.08 0.53 116.25 123.67 1jtb h VAL 31 Ca -0.08 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1jtb h VAL 31 Cb 0.77 0.19 0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1jtb h VAL 31 CO 0.10 0.01 -0.42 -0.09 0.02 0.00 0.00 177.57 177.19 1jtb h ARG 32 N 0.07 -1.12 -0.43 1.57 1.12 -0.47 0.17 114.38 115.30 1jtb h ARG 32 Ca 0.43 0.08 0.07 0.00 -1.11 0.00 0.00 59.98 59.45 1jtb h ARG 32 Cb 0.77 0.25 -0.09 0.00 -0.01 0.00 0.00 29.97 30.89 1jtb h ARG 32 CO -0.74 -0.74 -0.46 0.22 -3.11 0.00 0.00 179.97 175.14 1jtb h ASP 33 N -1.16 -1.53 -0.96 -3.80 1.82 0.33 0.14 116.42 111.27 1jtb h ASP 33 Ca -0.12 0.23 0.12 0.00 -0.39 0.00 0.00 57.03 56.87 1jtb h ASP 33 Cb 0.90 0.66 -0.14 0.00 0.68 0.00 0.00 39.33 41.43 1jtb h ASP 33 CO 0.18 -0.37 -0.47 0.18 -1.61 0.00 0.00 179.24 177.15 1jtb n LEU 34 N -5.41 -0.81 -0.31 2.28 7.99 0.11 0.18 117.00 121.03 1jtb n LEU 34 Ca -0.01 1.69 0.13 0.00 -0.01 0.00 0.00 56.01 57.82 1jtb n LEU 34 Cb 0.35 -0.31 0.28 0.00 -0.11 0.00 0.00 43.42 43.63 1jtb n LEU 34 CO 0.03 -1.45 0.86 -0.74 -1.51 0.00 0.00 177.39 174.57 1jtb h HIS 35 N 0.00 0.10 -0.53 -1.77 2.76 0.21 0.42 115.15 116.34 1jtb h HIS 35 Ca 0.25 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 1jtb h HIS 35 Cb 0.49 0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.55 1jtb h HIS 35 CO -0.91 -0.34 0.00 0.27 -1.30 0.00 0.00 177.93 175.64 1jtb n ASN 36 N -5.38 3.57 -0.06 3.26 6.94 0.48 -4.56 115.26 119.51 1jtb n ASN 36 Ca 0.22 -1.98 -0.11 0.00 -0.02 0.00 0.00 54.58 52.69 1jtb n ASN 36 Cb 0.71 -0.35 -0.05 0.00 -2.36 0.00 0.00 39.78 37.73 1jtb n ASN 36 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1jtb n GLN 37 N 1.40 0.30 -0.79 -3.83 1.13 0.36 -4.76 117.38 111.20 1jtb n GLN 37 Ca 0.20 0.09 -0.13 0.00 -1.94 0.00 0.00 57.00 55.22 1jtb n GLN 37 Cb 0.58 -1.13 0.03 0.00 0.11 0.00 0.00 30.24 29.83 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 -3.17 4.79 -2.55 -1.58 0.00 0.10 -4.26 120.51 113.84 1jtb n ALA 38 Ca -0.24 -1.31 -0.16 0.00 0.00 0.00 0.00 53.44 51.74 1jtb n ALA 38 Cb 0.71 -1.29 0.02 0.00 0.00 0.00 0.00 19.45 18.90 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 0.51 2.29 -0.07 0.00 -0.00 -1.26 -3.59 117.38 115.25 1jtb n GLN 39 Ca 0.24 -3.82 -0.11 0.00 -0.00 0.00 0.00 57.00 53.31 1jtb n GLN 39 Cb 0.60 -1.75 -0.06 0.00 -0.00 0.00 0.00 30.24 29.02 1jtb n GLN 39 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1jtb n SER 40 N -0.35 2.53 0.00 2.61 3.41 -1.26 -5.07 113.62 115.49 1jtb n SER 40 Ca 0.23 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1jtb n SER 40 Cb 0.78 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1jtb n SER 40 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1jtb n SER 41 N -3.07 0.00 -2.80 4.04 3.41 -1.26 -5.00 113.62 108.94 1jtb n SER 41 Ca -0.26 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.10 1jtb n SER 41 Cb 0.76 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.68 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 5.23 0.05 5.00 0.00 -1.26 -4.88 105.19 109.33 1jtb n GLY 42 Ca 0.00 -2.55 -0.01 0.00 0.00 0.00 0.00 46.02 43.46 1jtb n GLY 42 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jtb h ASP 43 N 2.85 0.00 -0.93 1.61 5.19 -1.95 0.63 116.42 123.82 1jtb h ASP 43 Ca 0.17 0.00 0.16 0.00 -0.62 0.00 0.00 57.03 56.74 1jtb h ASP 43 Cb 0.74 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.17 1jtb h ASP 43 CO 0.77 0.50 0.59 0.03 -3.12 0.00 0.00 179.24 178.02 1jtb h ARG 44 N -0.91 0.67 -0.04 3.56 3.08 -1.90 0.66 114.38 119.50 1jtb h ARG 44 Ca 0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1jtb h ARG 44 Cb 0.09 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1jtb h ARG 44 CO 0.00 0.44 0.01 1.96 -1.07 0.00 0.00 179.97 181.31 1jtb h GLN 45 N 0.69 0.06 -0.54 0.04 4.20 -1.87 -0.37 115.11 117.32 1jtb h GLN 45 Ca 0.48 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.27 1jtb h GLN 45 Cb 0.82 -0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.48 1jtb h GLN 45 CO -0.24 0.29 -0.37 1.15 -0.67 0.00 0.00 178.83 178.98 1jtb h THR 46 N -0.18 0.15 -0.08 -0.54 2.02 0.57 0.53 112.91 115.38 1jtb h THR 46 Ca 0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.23 1jtb h THR 46 Cb 0.26 0.15 -0.06 0.00 -1.74 0.00 0.00 68.15 66.75 1jtb h THR 46 CO 0.00 0.00 -0.39 0.58 0.37 0.00 0.00 175.52 176.08 1jtb h VAL 47 N -0.22 0.18 -0.82 3.16 2.07 -0.15 -0.08 116.25 120.40 1jtb h VAL 47 Ca 0.20 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.87 1jtb h VAL 47 Cb 0.56 0.18 -0.15 0.00 -1.52 0.00 0.00 31.29 30.36 1jtb h VAL 47 CO -0.65 0.00 -0.29 0.00 0.02 0.00 0.00 177.57 176.65 1jtb h ASN 49 N -0.04 -0.22 0.03 0.00 -0.26 0.54 0.78 115.58 116.41 1jtb h ASN 49 Ca 0.35 0.17 -0.00 0.00 -0.56 0.00 0.00 56.30 56.26 1jtb h ASN 49 Cb 0.60 0.29 0.00 0.00 -1.06 0.00 0.00 38.32 38.15 1jtb h ASN 49 CO -0.86 -0.13 -0.02 0.00 -1.06 0.00 0.00 177.43 175.37 1jtb h LEU 51 N -0.58 -1.93 -0.90 0.00 3.38 0.88 -2.03 115.31 114.13 1jtb h LEU 51 Ca -0.00 0.27 0.10 0.00 0.09 0.00 0.00 57.88 58.34 1jtb h LEU 51 Cb 0.53 0.81 -0.12 0.00 0.09 0.00 0.00 40.66 41.97 1jtb h LEU 51 CO 0.01 -0.33 -0.46 0.29 0.09 0.00 0.00 178.44 178.03 1jtb n LYS 52 N -5.26 -0.33 -0.02 1.13 4.76 0.17 0.24 118.16 118.86 1jtb n LYS 52 Ca -0.01 1.36 -0.17 0.00 -2.87 0.00 0.00 58.31 56.62 1jtb n LYS 52 Cb 0.30 -2.01 -0.07 0.00 -1.84 0.00 0.00 35.03 31.41 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 0.84 0.87 0.72 0.00 -1.41 -1.68 103.07 102.42 1jtb h GLY 53 Ca 0.21 -1.20 -0.13 0.00 0.00 0.00 0.00 47.33 46.21 1jtb h GLY 53 CO -0.86 1.07 -0.43 1.19 0.00 0.00 0.00 176.54 177.50 1jtb h ILE 54 N 0.49 1.36 -0.87 2.60 2.10 -0.99 -3.06 117.51 119.13 1jtb h ILE 54 Ca -0.05 -1.72 0.19 0.00 1.08 0.00 0.00 64.86 64.35 1jtb h ILE 54 Cb 1.38 2.09 -0.16 0.00 -1.09 0.00 0.00 36.82 39.04 1jtb h ILE 54 CO 0.16 0.52 -0.14 0.00 -1.08 0.00 0.00 178.15 177.60 1jtb h ALA 55 N 0.52 0.71 -0.26 0.18 0.00 -0.24 -0.78 119.26 119.37 1jtb h ALA 55 Ca -0.02 0.32 0.11 0.00 0.00 0.00 0.00 54.91 55.33 1jtb h ALA 55 Cb 1.06 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 1jtb h ALA 55 CO 0.09 -0.43 0.14 -2.13 0.00 0.00 0.00 179.25 176.92 1jtb n ARG 56 N -5.51 -0.02 0.00 0.00 0.63 -0.63 -1.92 116.66 109.21 1jtb n ARG 56 Ca 0.15 0.36 0.00 0.00 -0.92 0.00 0.00 57.85 57.44 1jtb n ARG 56 Cb 0.50 -0.65 0.00 0.00 0.45 0.00 0.00 32.46 32.76 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 -1.07 0.00 0.00 5.14 0.00 -0.56 -4.99 105.19 103.71 1jtb n GLY 57 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.95 0.00 0.00 -0.61 5.41 -0.41 -4.09 119.36 117.72 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 0.36 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.29 1jtb n ILE 58 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1jtb n HIS 59 N 0.00 0.00 -0.20 1.39 -0.00 -1.26 -4.89 115.22 110.26 1jtb n HIS 59 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1jtb n HIS 59 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1jtb n HIS 59 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1jtb n ASN 60 N 0.00 -0.26 0.00 0.26 3.02 -1.26 -5.03 115.26 111.99 1jtb n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1jtb n ASN 60 Cb 0.00 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 1jtb n ASN 60 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1jtb n LEU 61 N -0.18 0.00 -0.01 3.41 7.94 -1.26 -4.93 117.00 121.96 1jtb n LEU 61 Ca 0.00 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.74 1jtb n LEU 61 Cb 0.07 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.89 1jtb n LEU 61 CO 0.00 0.00 0.30 -1.13 -1.11 0.00 0.00 177.39 175.45 1jtb h ASN 62 N 0.01 0.26 0.00 1.96 -0.73 -0.53 -3.47 115.58 113.09 1jtb h ASN 62 Ca 0.00 -0.86 0.00 0.00 1.87 0.00 0.00 56.30 57.31 1jtb h ASN 62 Cb 0.00 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.51 1jtb h ASN 62 CO 0.00 1.10 0.00 -0.11 -0.37 0.00 0.00 177.43 178.05 1jtb n LEU 63 N -4.41 0.00 -0.18 0.34 7.94 -1.26 -4.59 117.00 114.84 1jtb n LEU 63 Ca -0.11 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.73 1jtb n LEU 63 Cb 0.59 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.53 1jtb n LEU 63 CO 0.41 0.00 0.62 0.78 -1.11 0.00 0.00 177.39 178.09 1jtb h ASN 64 N 0.00 -1.21 -0.62 1.96 2.35 -1.96 0.46 115.58 116.57 1jtb h ASN 64 Ca 0.00 0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1jtb h ASN 64 Cb 0.00 0.58 -0.03 0.00 0.05 0.00 0.00 38.32 38.92 1jtb h ASN 64 CO 0.00 -0.31 0.37 -0.55 -1.65 0.00 0.00 177.43 175.29 1jtb h ASN 65 N -0.20 0.74 0.13 5.81 -1.07 -1.95 -2.38 115.58 116.68 1jtb h ASN 65 Ca 0.21 -0.06 0.01 0.00 0.07 0.00 0.00 56.30 56.53 1jtb h ASN 65 Cb 0.55 -0.19 -0.03 0.00 -2.07 0.00 0.00 38.32 36.59 1jtb h ASN 65 CO -0.65 0.59 -0.23 0.00 0.07 0.00 0.00 177.43 177.20 1jtb h ALA 66 N 1.19 -0.41 0.00 4.14 0.00 -1.17 -0.80 119.26 122.21 1jtb h ALA 66 Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1jtb h ALA 66 Cb -0.02 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1jtb h ALA 66 CO -0.04 -0.77 0.00 0.00 0.00 0.00 0.00 179.25 178.44 1jtb n ALA 67 N -2.55 1.09 0.36 0.00 0.00 0.14 0.13 120.51 119.68 1jtb n ALA 67 Ca -0.07 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1jtb n ALA 67 Cb 0.27 -1.15 -0.11 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.80 0.41 -0.04 0.00 2.88 -0.40 -4.44 113.62 110.22 1jtb n SER 68 Ca -0.00 -0.28 -0.08 0.00 -1.33 0.00 0.00 58.87 57.18 1jtb n SER 68 Cb 0.03 1.45 -0.02 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 0.64 -0.91 2.46 1.08 0.65 -1.61 117.51 119.83 1jtb h ILE 69 Ca 0.00 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 64.72 1jtb h ILE 69 Cb 0.82 0.64 -0.14 0.00 -3.07 0.00 0.00 36.82 35.07 1jtb h ILE 69 CO 0.00 0.00 0.30 -0.65 -0.69 0.00 0.00 178.15 177.11 1jtb h PRO 70 N -0.10 0.22 0.33 2.37 0.11 -1.78 0.15 132.00 133.30 1jtb h PRO 70 Ca 0.12 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 1jtb h PRO 70 Cb 0.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.34 1jtb h PRO 70 CO -0.28 0.14 -0.16 1.03 -0.21 0.00 0.00 178.00 178.53 1jtb h SER 71 N 0.22 -0.37 -0.71 -2.05 0.87 -1.78 -1.70 113.55 108.03 1jtb h SER 71 Ca 0.59 -0.00 0.26 0.00 -1.23 0.00 0.00 61.79 61.41 1jtb h SER 71 Cb 1.23 0.10 -0.13 0.00 -0.44 0.00 0.00 62.40 63.16 1jtb h SER 71 CO -0.66 0.08 0.25 1.17 -0.53 0.00 0.00 176.83 177.14 1jtb n LYS 72 N -5.07 -0.05 -0.27 2.24 3.00 -0.35 -0.62 118.16 117.04 1jtb n LYS 72 Ca -0.06 1.01 0.11 0.00 -0.00 0.00 0.00 58.31 59.37 1jtb n LYS 72 Cb 0.18 -1.73 0.26 0.00 0.00 0.00 0.00 35.03 33.73 1jtb n LYS 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jtb n ASN 74 N 1.48 -3.05 -3.56 0.00 2.85 0.21 -4.79 115.26 108.40 1jtb n ASN 74 Ca 0.21 -0.68 -0.27 0.00 -0.11 0.00 0.00 54.58 53.72 1jtb n ASN 74 Cb 0.60 -4.62 -0.11 0.00 1.24 0.00 0.00 39.78 36.89 1jtb n ASN 74 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1jtb s VAL 75 N -3.44 1.20 -1.09 3.44 0.11 -0.66 -4.90 120.40 115.07 1jtb s VAL 75 Ca 0.21 -3.20 -0.15 0.00 -2.93 0.00 0.00 61.98 55.91 1jtb s VAL 75 Cb -0.10 -1.81 -0.07 0.00 -1.53 0.00 0.00 36.38 32.86 1jtb s VAL 75 CO 0.77 -1.16 2.17 -0.46 -3.33 0.00 0.00 175.10 173.09 1jtb n ASN 76 N 2.55 4.10 -4.46 3.54 6.94 -1.26 -4.73 115.26 121.94 1jtb n ASN 76 Ca 0.26 -2.64 -0.37 0.00 -0.02 0.00 0.00 54.58 51.82 1jtb n ASN 76 Cb 0.43 -1.31 -0.12 0.00 -2.36 0.00 0.00 39.78 36.42 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 3.85 4.41 -0.21 3.53 0.11 -1.26 -4.99 120.40 125.84 1jtb s VAL 77 Ca 0.52 -0.14 -0.03 0.00 -2.93 0.00 0.00 61.98 59.41 1jtb s VAL 77 Cb 0.14 -3.07 0.00 0.00 -1.53 0.00 0.00 36.38 31.93 1jtb s VAL 77 CO 0.01 0.33 2.64 -0.81 -3.33 0.00 0.00 175.10 173.94 1jtb n PRO 78 N 4.94 1.85 -3.52 1.54 -0.04 -1.26 -4.91 135.00 133.60 1jtb n PRO 78 Ca -0.16 -1.30 -0.38 0.00 -0.04 0.00 0.00 63.50 61.62 1jtb n PRO 78 Cb 0.51 -1.73 -0.06 0.00 -0.04 0.00 0.00 33.50 32.18 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 -0.68 3.63 0.00 0.54 5.04 -1.26 -4.54 117.35 120.08 1jtb s TYR 79 Ca 0.41 0.85 0.00 0.00 -2.44 0.00 0.00 57.07 55.90 1jtb s TYR 79 Cb 0.25 -2.30 0.00 0.00 0.35 0.00 0.00 41.96 40.26 1jtb s TYR 79 CO -0.06 0.50 0.00 2.41 -1.34 0.00 0.00 175.55 177.06 1jtb n THR 80 N 2.46 0.00 -3.58 4.34 -1.04 -1.26 -4.81 114.28 110.39 1jtb n THR 80 Ca -0.13 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.69 1jtb n THR 80 Cb 0.52 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.99 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 -0.67 -4.18 12.58 2.08 -1.26 -4.92 119.36 122.99 1jtb n ILE 81 Ca 0.00 -0.29 -0.17 0.00 0.56 0.00 0.00 62.75 62.85 1jtb n ILE 81 Cb 0.00 -0.65 -0.12 0.00 -0.75 0.00 0.00 39.64 38.12 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 -3.83 1.45 0.00 4.38 0.01 -1.26 -4.83 113.70 109.62 1jtb s SER 82 Ca 0.03 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1jtb s SER 82 Cb -0.02 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1jtb s SER 82 CO 0.56 -0.08 0.54 -0.81 0.41 0.00 0.00 173.24 173.86 1jtb n PRO 83 N 1.48 0.00 -0.46 12.44 -0.04 -1.26 -0.24 135.00 146.92 1jtb n PRO 83 Ca -0.21 0.54 -0.05 0.00 -0.04 0.00 0.00 63.50 63.74 1jtb n PRO 83 Cb 0.54 -0.88 0.02 0.00 -0.04 0.00 0.00 33.50 33.14 1jtb n PRO 83 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1jtb n ASP 84 N -1.84 4.61 -0.51 3.54 5.75 -1.26 -4.95 116.55 121.89 1jtb n ASP 84 Ca 0.00 -2.49 -0.07 0.00 -0.01 0.00 0.00 54.79 52.22 1jtb n ASP 84 Cb 0.00 -0.87 -0.01 0.00 -1.03 0.00 0.00 41.12 39.21 1jtb n ASP 84 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jtb n ILE 85 N 0.70 0.00 -3.34 2.12 0.00 0.66 -4.92 119.36 114.58 1jtb n ILE 85 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 62.75 62.65 1jtb n ILE 85 Cb 0.61 -0.06 0.01 0.00 0.00 0.00 0.00 39.64 40.20 1jtb n ILE 85 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1jtb s ASP 86 N 0.63 5.13 -0.10 9.51 2.15 -1.26 -4.74 116.67 127.99 1jtb s ASP 86 Ca 0.14 -0.79 0.17 0.00 0.43 0.00 0.00 52.55 52.49 1jtb s ASP 86 Cb -0.18 -0.16 -0.23 0.00 -0.30 0.00 0.00 42.92 42.05 1jtb s ASP 86 CO 0.08 -0.96 0.39 0.00 -0.17 0.00 0.00 175.17 174.51 1jtb h SER 88 N 0.00 0.00 -2.10 0.00 0.87 -1.95 -3.39 113.55 106.98 1jtb h SER 88 Ca -0.37 -0.03 -0.56 0.00 -1.23 0.00 0.00 61.79 59.61 1jtb h SER 88 Cb 1.97 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 63.53 1jtb h SER 88 CO 0.04 0.01 -0.91 -2.11 -0.53 0.00 0.00 176.83 173.34 1jtb n ARG 89 N -2.75 1.68 -4.39 2.24 0.00 -1.26 -5.08 116.66 107.10 1jtb n ARG 89 Ca 0.03 -3.93 -0.25 0.00 -0.00 0.00 0.00 57.85 53.71 1jtb n ARG 89 Cb 0.51 -1.77 -0.09 0.00 -0.00 0.00 0.00 32.46 31.11 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 -2.33 2.59 0.00 8.89 1.01 -1.26 -4.54 121.20 125.55 1jtb s ILE 90 Ca 0.40 -2.06 0.00 0.00 0.00 0.00 0.00 60.65 58.99 1jtb s ILE 90 Cb 0.22 -2.72 0.00 0.00 0.01 0.00 0.00 42.46 39.97 1jtb s ILE 90 CO -0.08 -0.23 0.45 -1.22 0.00 0.00 0.00 174.94 173.86