#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 -4.22 -3.51 -1.43 2.85 -1.26 -4.92 115.26 102.76 1jtb n ASN 2 Ca 0.00 -0.09 -0.38 0.00 -0.11 0.00 0.00 54.58 54.01 1jtb n ASN 2 Cb 0.00 -2.65 -0.03 0.00 1.24 0.00 0.00 39.78 38.33 1jtb n ASN 2 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1jtb n GLY 4 N 4.15 -0.27 0.50 0.00 0.00 -1.26 -4.52 105.19 103.78 1jtb n GLY 4 Ca 0.52 -0.14 0.32 0.00 0.00 0.00 0.00 46.02 46.71 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 -0.47 0.02 0.00 1.61 4.20 -1.99 -1.01 115.11 117.46 1jtb h GLN 5 Ca -0.04 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1jtb h GLN 5 Cb 0.57 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1jtb h GLN 5 CO -0.02 0.02 0.00 0.28 -0.67 0.00 0.00 178.83 178.43 1jtb n VAL 6 N -4.24 0.00 -0.00 -0.54 0.31 -1.26 -1.41 118.33 111.19 1jtb n VAL 6 Ca 0.22 1.25 -0.12 0.00 -0.01 0.00 0.00 64.34 65.68 1jtb n VAL 6 Cb 1.10 -1.83 -0.06 0.00 -0.91 0.00 0.00 33.84 32.14 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 -1.34 -0.57 4.52 1.82 -1.46 0.16 116.42 119.54 1jtb h ASP 7 Ca 0.00 0.18 0.13 0.00 -0.39 0.00 0.00 57.03 56.95 1jtb h ASP 7 Cb 0.00 0.54 -0.11 0.00 0.68 0.00 0.00 39.33 40.45 1jtb h ASP 7 CO 0.00 -0.43 -0.09 -0.24 -1.61 0.00 0.00 179.24 176.87 1jtb n SER 8 N -5.44 -0.16 -0.02 2.28 2.88 -0.78 0.15 113.62 112.53 1jtb n SER 8 Ca -0.04 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1jtb n SER 8 Cb 0.36 -0.32 -0.08 0.00 -0.75 0.00 0.00 64.21 63.43 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 -4.86 1.37 0.00 -1.46 4.76 -0.50 -4.70 118.16 112.77 1jtb n LYS 9 Ca 0.11 -0.05 0.11 0.00 -2.87 0.00 0.00 58.31 55.61 1jtb n LYS 9 Cb 0.34 -1.24 0.03 0.00 -1.84 0.00 0.00 35.03 32.32 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 -2.09 1.13 -0.05 1.97 2.81 0.53 -4.34 117.12 117.08 1jtb n MET 10 Ca -0.08 -0.92 -0.09 0.00 -1.81 0.00 0.00 57.70 54.80 1jtb n MET 10 Cb 0.52 -1.48 -0.02 0.00 -0.71 0.00 0.00 33.22 31.53 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 2.24 -0.27 -1.58 0.03 1.63 -0.41 0.79 116.57 118.99 1jtb h LYS 11 Ca 0.00 0.02 0.46 0.00 -0.85 0.00 0.00 60.65 60.28 1jtb h LYS 11 Cb 0.72 0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 32.34 1jtb h LYS 11 CO 0.00 -0.18 1.13 -1.00 -3.45 0.00 0.00 179.45 175.95 1jtb h PRO 12 N -0.28 0.02 0.18 1.90 0.13 -1.82 0.48 132.00 132.61 1jtb h PRO 12 Ca 0.13 -0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.93 1jtb h PRO 12 Cb 0.49 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.63 1jtb h PRO 12 CO -0.41 0.01 -1.61 0.00 -0.23 0.00 0.00 178.00 175.77 1jtb h LEU 14 N 0.11 0.13 -0.53 0.00 5.85 0.13 -1.41 115.31 119.58 1jtb h LEU 14 Ca -0.29 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.14 1jtb h LEU 14 Cb 2.09 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 43.01 1jtb h LEU 14 CO 0.20 0.44 -0.43 0.71 -0.34 0.00 0.00 178.44 179.02 1jtb h THR 15 N -0.19 0.00 -0.49 1.05 1.35 -0.21 0.28 112.91 114.69 1jtb h THR 15 Ca 0.02 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.93 1jtb h THR 15 Cb 0.38 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 66.73 1jtb h THR 15 CO 0.01 0.00 -0.43 0.22 -0.25 0.00 0.00 175.52 175.07 1jtb h TYR 16 N -0.14 -1.34 -0.48 4.73 3.20 -1.21 0.31 116.97 122.03 1jtb h TYR 16 Ca 0.09 0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1jtb h TYR 16 Cb 0.37 0.65 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 1jtb h TYR 16 CO -0.86 -0.33 0.25 -0.39 -1.64 0.00 0.00 178.16 175.19 1jtb h VAL 17 N -0.17 1.16 0.00 1.81 -1.51 0.26 -2.42 116.25 115.37 1jtb h VAL 17 Ca 0.08 -0.41 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1jtb h VAL 17 Cb 0.39 0.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.07 1jtb h VAL 17 CO -0.56 0.17 -0.07 0.06 -1.23 0.00 0.00 177.57 175.95 1jtb h GLN 18 N 0.67 0.00 0.00 5.19 3.07 0.09 0.32 115.11 124.45 1jtb h GLN 18 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.91 1jtb h GLN 18 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.60 1jtb h GLN 18 CO -0.03 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.30 1jtb n GLY 19 N 1.13 1.44 2.19 0.06 0.00 0.52 -2.32 105.19 108.22 1jtb n GLY 19 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.15 3.74 3.37 -0.02 0.00 0.77 -4.97 105.19 107.93 1jtb n GLY 20 Ca 0.00 -2.30 -0.61 0.00 0.00 0.00 0.00 46.02 43.10 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 -0.80 0.04 0.00 1.61 -0.04 -1.26 -3.84 135.00 130.70 1jtb n PRO 21 Ca -0.12 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1jtb n PRO 21 Cb 0.38 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 6.70 1.78 0.04 0.55 0.00 -1.26 -4.30 105.19 108.69 1jtb n GLY 22 Ca 0.49 -1.95 0.11 0.00 0.00 0.00 0.00 46.02 44.68 1jtb n GLY 22 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jtb n PRO 23 N -1.79 0.10 0.00 1.61 -0.04 -1.26 -4.52 135.00 129.10 1jtb n PRO 23 Ca 0.00 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1jtb n PRO 23 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 -1.38 0.00 0.04 3.54 7.64 -1.26 -2.32 113.62 119.87 1jtb n SER 24 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1jtb n SER 24 Cb 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 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 0.00 -0.07 0.30 0.23 0.00 -1.26 -4.71 105.19 99.68 1jtb n GLY 25 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.25 0.66 1.61 9.09 -1.98 -0.44 114.58 123.77 1jtb h GLU 26 Ca 0.00 -0.02 -0.02 0.00 0.05 0.00 0.00 59.36 59.37 1jtb h GLU 26 Cb 0.31 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.34 1jtb h GLU 26 CO 0.00 0.17 -0.50 0.00 0.05 0.00 0.00 179.01 178.73 1jtb h ASN 29 N 0.09 -0.47 -0.99 0.00 -1.07 -1.17 0.15 115.58 112.12 1jtb h ASN 29 Ca 0.37 -0.12 0.11 0.00 0.07 0.00 0.00 56.30 56.74 1jtb h ASN 29 Cb 0.62 0.12 -0.14 0.00 -2.07 0.00 0.00 38.32 36.85 1jtb h ASN 29 CO -0.62 -0.09 -0.51 1.23 0.07 0.00 0.00 177.43 177.50 1jtb h GLY 30 N -0.91 -0.49 0.39 9.14 0.00 0.62 0.26 103.07 112.08 1jtb h GLY 30 Ca -0.06 0.69 -0.00 0.00 0.00 0.00 0.00 47.33 47.96 1jtb h GLY 30 CO 0.09 -0.05 -0.48 -2.08 0.00 0.00 0.00 176.54 174.02 1jtb h VAL 31 N -0.00 0.06 -0.14 4.60 2.07 -0.14 0.29 116.25 122.98 1jtb h VAL 31 Ca 0.23 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.79 1jtb h VAL 31 Cb 0.48 0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.24 1jtb h VAL 31 CO -0.96 0.00 -0.44 -0.09 0.02 0.00 0.00 177.57 176.10 1jtb h ARG 32 N -0.87 -0.49 0.40 1.57 1.12 0.11 0.32 114.38 116.54 1jtb h ARG 32 Ca -0.03 0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.87 1jtb h ARG 32 Cb 0.80 0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 30.84 1jtb h ARG 32 CO -0.15 -0.32 -0.51 -0.44 -3.11 0.00 0.00 179.97 175.43 1jtb h ASP 33 N -0.51 -1.45 -0.88 -3.80 3.32 -0.44 0.14 116.42 112.79 1jtb h ASP 33 Ca 0.07 0.13 0.11 0.00 0.02 0.00 0.00 57.03 57.36 1jtb h ASP 33 Cb 0.64 0.50 -0.13 0.00 0.22 0.00 0.00 39.33 40.55 1jtb h ASP 33 CO -0.41 -0.64 -0.48 -0.07 -1.72 0.00 0.00 179.24 175.92 1jtb h LEU 34 N -0.94 -1.74 -1.02 1.55 -0.00 0.35 0.79 115.31 114.29 1jtb h LEU 34 Ca -0.05 0.30 0.14 0.00 -0.00 0.00 0.00 57.88 58.27 1jtb h LEU 34 Cb 0.85 0.82 -0.09 0.00 -0.00 0.00 0.00 40.66 42.23 1jtb h LEU 34 CO -0.13 -0.28 0.63 -0.74 -0.00 0.00 0.00 178.44 177.92 1jtb h HIS 35 N -0.07 1.12 -0.64 1.13 2.76 0.45 0.30 115.15 120.19 1jtb h HIS 35 Ca 0.23 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 1jtb h HIS 35 Cb 0.52 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 29.13 1jtb h HIS 35 CO -0.89 0.40 0.00 0.09 -1.30 0.00 0.00 177.93 176.23 1jtb n ASN 36 N -4.65 3.78 0.00 3.26 5.03 0.10 -4.50 115.26 118.29 1jtb n ASN 36 Ca 0.20 -2.00 0.00 0.00 0.87 0.00 0.00 54.58 53.65 1jtb n ASN 36 Cb 0.41 -0.43 0.00 0.00 -1.02 0.00 0.00 39.78 38.74 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 1.60 0.00 -0.22 3.52 6.02 0.24 -4.70 117.38 123.83 1jtb n GLN 37 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 1jtb n GLN 37 Cb 0.61 -0.94 0.00 0.00 1.02 0.00 0.00 30.24 30.94 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 -2.48 3.17 -2.34 -1.58 0.00 0.96 -4.36 120.51 113.88 1jtb n ALA 38 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1jtb n ALA 38 Cb 0.47 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.94 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 0.95 3.62 0.05 0.00 10.64 -1.26 -2.58 117.38 128.79 1jtb n GLN 39 Ca 0.00 -4.18 0.00 0.00 -1.83 0.00 0.00 57.00 50.99 1jtb n GLN 39 Cb 0.50 -2.31 0.00 0.00 -0.86 0.00 0.00 30.24 27.57 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 -0.37 0.67 0.00 2.61 7.64 -1.26 -5.08 113.62 117.82 1jtb n SER 40 Ca 0.46 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.49 1jtb n SER 40 Cb 0.35 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 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 -3.23 0.00 -2.37 6.43 2.88 -1.26 -4.95 113.62 111.12 1jtb n SER 41 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1jtb n SER 41 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 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 5.00 6.08 0.45 0.46 0.00 -1.26 -4.85 105.19 111.07 1jtb n GLY 42 Ca 0.00 -2.68 -0.17 0.00 0.00 0.00 0.00 46.02 43.17 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 2.46 -0.96 -1.03 1.61 3.32 -1.93 0.37 116.42 120.26 1jtb h ASP 43 Ca 0.37 0.03 0.26 0.00 0.02 0.00 0.00 57.03 57.71 1jtb h ASP 43 Cb 1.02 0.25 -0.11 0.00 0.22 0.00 0.00 39.33 40.71 1jtb h ASP 43 CO 0.93 -0.67 0.63 0.08 -1.72 0.00 0.00 179.24 178.49 1jtb h ARG 44 N -1.16 0.48 0.23 3.56 -0.00 -1.83 0.52 114.38 116.18 1jtb h ARG 44 Ca -0.12 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.98 59.83 1jtb h ARG 44 Cb 0.87 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.97 30.72 1jtb h ARG 44 CO 0.19 0.32 -0.15 1.96 -0.00 0.00 0.00 179.97 182.29 1jtb h GLN 45 N 0.49 -0.36 -0.64 0.08 4.20 -1.71 0.56 115.11 117.73 1jtb h GLN 45 Ca 0.63 0.02 0.10 0.00 0.06 0.00 0.00 58.65 59.46 1jtb h GLN 45 Cb 1.38 0.08 -0.11 0.00 0.30 0.00 0.00 27.48 29.12 1jtb h GLN 45 CO -0.40 -0.24 -0.40 1.15 -0.67 0.00 0.00 178.83 178.27 1jtb h THR 46 N -0.37 0.10 -0.26 -0.54 2.02 0.41 0.18 112.91 114.45 1jtb h THR 46 Ca -0.02 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.22 1jtb h THR 46 Cb 0.32 0.10 -0.08 0.00 -1.74 0.00 0.00 68.15 66.75 1jtb h THR 46 CO 0.02 0.00 -0.37 0.58 0.37 0.00 0.00 175.52 176.12 1jtb h VAL 47 N -0.18 0.20 -0.75 3.16 2.07 0.17 0.19 116.25 121.11 1jtb h VAL 47 Ca 0.21 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.89 1jtb h VAL 47 Cb 0.56 0.20 -0.14 0.00 -1.52 0.00 0.00 31.29 30.39 1jtb h VAL 47 CO -0.73 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 176.70 1jtb h ASN 49 N 0.01 1.10 0.22 0.00 2.35 0.69 -1.30 115.58 118.65 1jtb h ASN 49 Ca 0.37 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 1jtb h ASN 49 Cb 0.57 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1jtb h ASN 49 CO -0.77 0.83 -0.11 0.00 -1.65 0.00 0.00 177.43 175.74 1jtb n LEU 51 N -5.20 -1.01 -0.33 0.00 4.77 0.11 0.57 117.00 115.91 1jtb n LEU 51 Ca -0.09 1.69 0.15 0.00 -0.03 0.00 0.00 56.01 57.73 1jtb n LEU 51 Cb 0.15 -0.22 0.35 0.00 -2.33 0.00 0.00 43.42 41.37 1jtb n LEU 51 CO 0.35 -1.38 1.13 0.50 -1.33 0.00 0.00 177.39 176.65 1jtb h LYS 52 N 0.00 0.53 0.00 3.23 3.64 -0.97 0.47 116.57 123.47 1jtb h LYS 52 Ca 0.15 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1jtb h LYS 52 Cb 0.39 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1jtb h LYS 52 CO -0.89 0.35 -0.08 0.78 -2.27 0.00 0.00 179.45 177.34 1jtb h GLY 53 N 0.55 0.00 -0.06 5.01 0.00 0.67 -2.03 103.07 107.21 1jtb h GLY 53 Ca 0.60 0.00 0.16 0.00 0.00 0.00 0.00 47.33 48.09 1jtb h GLY 53 CO -0.48 0.00 0.20 1.19 0.00 0.00 0.00 176.54 177.46 1jtb h ILE 54 N -1.00 0.53 -0.17 2.60 6.09 0.12 1.13 117.51 126.81 1jtb h ILE 54 Ca -0.02 -0.10 0.05 0.00 -1.37 0.00 0.00 64.86 63.41 1jtb h ILE 54 Cb 0.85 0.21 -0.07 0.00 0.47 0.00 0.00 36.82 38.27 1jtb h ILE 54 CO -0.01 0.05 -0.44 0.00 -3.07 0.00 0.00 178.15 174.69 1jtb h ALA 55 N 1.61 -0.60 -1.31 0.18 0.00 -0.14 1.29 119.26 120.29 1jtb h ALA 55 Ca 0.42 -0.00 0.40 0.00 0.00 0.00 0.00 54.91 55.73 1jtb h ALA 55 Cb 0.72 0.83 -0.11 0.00 0.00 0.00 0.00 17.79 19.23 1jtb h ALA 55 CO -0.50 -0.93 0.86 -0.09 0.00 0.00 0.00 179.25 178.59 1jtb h ARG 56 N -0.48 0.13 -0.35 0.00 1.12 0.20 0.19 114.38 115.19 1jtb h ARG 56 Ca 0.08 -0.01 -0.17 0.00 -1.11 0.00 0.00 59.98 58.77 1jtb h ARG 56 Cb 0.63 -0.03 -0.10 0.00 -0.01 0.00 0.00 29.97 30.46 1jtb h ARG 56 CO -0.43 0.09 -0.06 0.41 -3.11 0.00 0.00 179.97 176.87 1jtb n GLY 57 N -1.57 4.81 4.00 2.80 0.00 0.40 -5.06 105.19 110.57 1jtb n GLY 57 Ca 0.34 -1.21 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 1jtb n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jtb s ILE 58 N -3.21 2.00 0.00 -0.61 1.01 0.14 -4.99 121.20 115.54 1jtb s ILE 58 Ca 0.45 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1jtb s ILE 58 Cb 0.40 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 40.46 1jtb s ILE 58 CO 0.01 0.00 0.00 1.41 0.00 0.00 0.00 174.94 176.36 1jtb n HIS 59 N -2.94 0.00 -3.16 3.97 8.25 -1.26 -4.95 115.22 115.13 1jtb n HIS 59 Ca 0.17 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.38 1jtb n HIS 59 Cb 0.61 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.66 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 -0.69 2.77 -4.53 0.41 5.15 -0.98 -5.06 115.26 112.33 1jtb n ASN 60 Ca 0.00 -3.31 -0.22 0.00 -0.60 0.00 0.00 54.58 50.45 1jtb n ASN 60 Cb 0.00 -0.61 -0.15 0.00 -0.53 0.00 0.00 39.78 38.49 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 0.42 0.25 -3.55 1.20 7.94 -1.25 -4.33 117.00 117.68 1jtb n LEU 61 Ca 0.28 -0.83 -0.41 0.00 -1.11 0.00 0.00 56.01 53.94 1jtb n LEU 61 Cb 0.48 -1.08 -0.01 0.00 0.53 0.00 0.00 43.42 43.33 1jtb n LEU 61 CO 0.30 -1.83 2.91 -3.20 -1.11 0.00 0.00 177.39 174.46 1jtb n ASN 62 N 11.85 6.28 -0.25 1.96 2.85 0.11 -4.82 115.26 133.25 1jtb n ASN 62 Ca 0.57 -2.77 0.04 0.00 -0.11 0.00 0.00 54.58 52.31 1jtb n ASN 62 Cb 0.27 -1.58 0.09 0.00 1.24 0.00 0.00 39.78 39.80 1jtb n ASN 62 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1jtb n LEU 63 N 4.56 -0.25 -0.27 1.20 -0.00 -1.26 0.02 117.00 121.00 1jtb n LEU 63 Ca 0.63 1.17 0.07 0.00 -0.00 0.00 0.00 56.01 57.88 1jtb n LEU 63 Cb 0.31 -0.35 0.19 0.00 -0.00 0.00 0.00 43.42 43.57 1jtb n LEU 63 CO 0.86 -1.12 0.84 0.78 -0.00 0.00 0.00 177.39 178.75 1jtb h ASN 64 N 0.00 -0.29 -0.16 1.96 2.35 -1.98 0.30 115.58 117.76 1jtb h ASN 64 Ca 0.32 0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 56.26 1jtb h ASN 64 Cb 0.49 0.34 -0.01 0.00 0.05 0.00 0.00 38.32 39.20 1jtb h ASN 64 CO -0.70 -0.18 0.03 -0.55 -1.65 0.00 0.00 177.43 174.38 1jtb h ASN 65 N 0.12 0.26 -0.51 5.81 -1.07 -0.81 -1.76 115.58 117.62 1jtb h ASN 65 Ca 0.45 -0.26 0.09 0.00 0.07 0.00 0.00 56.30 56.65 1jtb h ASN 65 Cb 0.81 -0.07 -0.07 0.00 -2.07 0.00 0.00 38.32 36.92 1jtb h ASN 65 CO -0.68 0.45 0.09 0.00 0.07 0.00 0.00 177.43 177.37 1jtb h ALA 66 N 0.82 0.57 0.00 4.14 0.00 -0.42 0.28 119.26 124.65 1jtb h ALA 66 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1jtb h ALA 66 Cb 0.30 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1jtb h ALA 66 CO 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 178.94 1jtb h ALA 67 N 1.41 1.00 -0.00 0.00 0.00 -0.29 0.25 119.26 121.63 1jtb h ALA 67 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1jtb h ALA 67 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1jtb h ALA 67 CO -0.35 0.00 -0.63 0.43 0.00 0.00 0.00 179.25 178.70 1jtb n SER 68 N -2.43 0.79 0.11 0.00 7.64 0.95 -4.39 113.62 116.30 1jtb n SER 68 Ca -0.01 -0.61 -0.11 0.00 1.01 0.00 0.00 58.87 59.14 1jtb n SER 68 Cb 0.09 0.48 -0.07 0.00 -1.01 0.00 0.00 64.21 63.70 1jtb n SER 68 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1jtb h ILE 69 N 0.25 0.67 -0.84 0.44 1.08 0.01 -0.87 117.51 118.26 1jtb h ILE 69 Ca 0.00 -0.89 0.33 0.00 -0.39 0.00 0.00 64.86 63.91 1jtb h ILE 69 Cb 0.51 1.08 -0.15 0.00 -3.07 0.00 0.00 36.82 35.19 1jtb h ILE 69 CO 0.00 0.16 0.36 -2.65 -0.69 0.00 0.00 178.15 175.32 1jtb n PRO 70 N -5.02 -0.05 -0.05 2.37 -0.02 -1.26 0.21 135.00 131.18 1jtb n PRO 70 Ca -0.08 1.18 -0.01 0.00 -2.02 0.00 0.00 63.50 62.57 1jtb n PRO 70 Cb 0.26 -2.07 -0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1jtb n PRO 70 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jtb h SER 71 N 0.00 0.00 -0.79 2.55 0.87 -1.82 -1.73 113.55 112.63 1jtb h SER 71 Ca 0.67 0.00 0.23 0.00 -1.23 0.00 0.00 61.79 61.46 1jtb h SER 71 Cb 1.70 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.63 1jtb h SER 71 CO -0.68 0.49 0.73 0.50 -0.53 0.00 0.00 176.83 177.35 1jtb h LYS 72 N -0.90 0.00 -0.50 2.24 3.64 0.45 0.12 116.57 121.63 1jtb h LYS 72 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jtb h LYS 72 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1jtb h LYS 72 CO 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 1jtb n ASN 74 N 0.79 -1.98 -4.10 0.00 4.05 0.43 -4.73 115.26 109.70 1jtb n ASN 74 Ca 0.20 -0.52 -0.33 0.00 0.45 0.00 0.00 54.58 54.38 1jtb n ASN 74 Cb 0.67 -0.71 -0.16 0.00 1.23 0.00 0.00 39.78 40.81 1jtb n ASN 74 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1jtb s VAL 75 N -3.46 2.04 0.00 3.44 0.11 -0.70 -4.94 120.40 116.90 1jtb s VAL 75 Ca 0.12 -1.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.15 1jtb s VAL 75 Cb -0.07 -1.90 0.00 0.00 -1.53 0.00 0.00 36.38 32.89 1jtb s VAL 75 CO 0.42 0.45 0.56 0.59 -3.33 0.00 0.00 175.10 173.79 1jtb n ASN 76 N 4.60 0.00 -3.90 3.54 4.13 -1.26 -4.76 115.26 117.61 1jtb n ASN 76 Ca -0.20 -1.34 -0.16 0.00 1.68 0.00 0.00 54.58 54.57 1jtb n ASN 76 Cb 0.49 -0.22 -0.15 0.00 -1.54 0.00 0.00 39.78 38.36 1jtb n ASN 76 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1jtb s VAL 77 N 3.12 0.28 0.03 2.41 -7.23 -1.26 -4.90 120.40 112.84 1jtb s VAL 77 Ca 0.00 -0.10 -0.27 0.00 -1.81 0.00 0.00 61.98 59.80 1jtb s VAL 77 Cb 0.00 -0.27 -0.17 0.00 0.56 0.00 0.00 36.38 36.50 1jtb s VAL 77 CO 0.00 0.11 1.31 -0.65 -0.31 0.00 0.00 175.10 175.55 1jtb h PRO 78 N 6.41 -0.59 0.00 4.82 0.11 -1.98 -3.46 132.00 137.31 1jtb h PRO 78 Ca -0.31 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1jtb h PRO 78 Cb 1.18 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1jtb h PRO 78 CO 0.50 -0.29 0.00 0.98 -0.21 0.00 0.00 178.00 178.97 1jtb n TYR 79 N -5.26 0.00 0.00 0.65 9.36 -1.26 -4.01 117.16 116.64 1jtb n TYR 79 Ca -0.11 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.11 1jtb n TYR 79 Cb 0.30 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.01 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 0.00 0.00 -3.92 2.97 -1.04 -1.26 -3.81 114.28 107.22 1jtb n THR 80 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 1jtb n THR 80 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 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 -1.48 -4.40 12.58 2.08 -1.26 -4.95 119.36 121.94 1jtb n ILE 81 Ca 0.00 -0.32 -0.24 0.00 0.56 0.00 0.00 62.75 62.75 1jtb n ILE 81 Cb 0.00 -1.26 -0.09 0.00 -0.75 0.00 0.00 39.64 37.54 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 -4.12 3.99 0.02 4.38 0.01 -1.26 -4.88 113.70 111.84 1jtb s SER 82 Ca 0.28 -0.92 -0.25 0.00 1.31 0.00 0.00 55.95 56.37 1jtb s SER 82 Cb -0.15 -0.51 -0.18 0.00 0.21 0.00 0.00 66.02 65.39 1jtb s SER 82 CO 0.55 -0.03 1.38 -0.65 0.41 0.00 0.00 173.24 174.90 1jtb h PRO 83 N 2.06 -0.16 -2.43 12.44 0.11 -2.01 -3.20 132.00 138.81 1jtb h PRO 83 Ca -0.42 0.01 -0.81 0.00 0.11 0.00 0.00 66.00 64.89 1jtb h PRO 83 Cb 1.25 0.04 -0.27 0.00 0.11 0.00 0.00 31.00 32.13 1jtb h PRO 83 CO 0.62 0.15 0.96 -0.40 -0.21 0.00 0.00 178.00 179.11 1jtb n ASP 84 N -5.02 7.09 -4.58 -2.05 5.75 -1.26 -4.44 116.55 112.05 1jtb n ASP 84 Ca -0.09 -3.62 -0.43 0.00 -0.01 0.00 0.00 54.79 50.65 1jtb n ASP 84 Cb 0.20 -1.19 -0.03 0.00 -1.03 0.00 0.00 41.12 39.07 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 -3.93 4.30 -1.09 2.12 2.07 -1.21 -4.93 121.20 118.54 1jtb s ILE 85 Ca 0.37 0.90 -0.05 0.00 -1.41 0.00 0.00 60.65 60.46 1jtb s ILE 85 Cb 0.15 -4.55 0.30 0.00 0.13 0.00 0.00 42.46 38.50 1jtb s ILE 85 CO -0.07 -0.99 1.39 0.47 -1.91 0.00 0.00 174.94 173.83 1jtb n ASP 86 N 7.61 6.20 0.00 4.50 8.00 -1.26 -4.36 116.55 137.24 1jtb n ASP 86 Ca 0.08 -3.33 0.00 0.00 0.71 0.00 0.00 54.79 52.25 1jtb n ASP 86 Cb 0.49 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.30 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 0.00 2.35 -2.34 0.00 3.41 -1.26 -4.76 113.62 111.02 1jtb n SER 88 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 1jtb n SER 88 Cb 0.00 0.92 0.01 0.00 -0.26 0.00 0.00 64.21 64.87 1jtb n SER 88 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1jtb n ARG 89 N -2.30 3.46 -4.19 4.33 0.00 -1.26 -5.01 116.66 111.70 1jtb n ARG 89 Ca -0.14 -4.35 -0.25 0.00 -0.00 0.00 0.00 57.85 53.10 1jtb n ARG 89 Cb 0.74 -2.26 -0.07 0.00 -0.00 0.00 0.00 32.46 30.87 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 -5.20 2.17 -0.50 8.89 1.01 -1.25 -4.56 121.20 121.76 1jtb s ILE 90 Ca 0.49 -1.72 0.04 0.00 0.00 0.00 0.00 60.65 59.46 1jtb s ILE 90 Cb 0.41 -2.89 0.03 0.00 0.01 0.00 0.00 42.46 40.01 1jtb s ILE 90 CO -0.12 0.00 0.63 -1.22 0.00 0.00 0.00 174.94 174.23