#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 0.68 -4.17 -1.43 4.13 -1.26 -4.77 115.26 108.45 1jtb n ASN 2 Ca 0.00 -0.58 -0.40 0.00 1.68 0.00 0.00 54.58 55.28 1jtb n ASN 2 Cb 0.00 1.11 -0.07 0.00 -1.54 0.00 0.00 39.78 39.28 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 3.54 0.04 0.33 0.00 0.00 -1.26 -4.56 105.19 103.27 1jtb n GLY 4 Ca 0.11 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.32 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 0.09 0.00 1.61 7.50 -1.98 -0.32 115.11 122.01 1jtb h GLN 5 Ca 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.14 1jtb h GLN 5 Cb 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.51 1jtb h GLN 5 CO 0.00 0.06 0.00 0.28 -1.50 0.00 0.00 178.83 177.67 1jtb n VAL 6 N -5.31 0.00 -0.24 -0.54 0.31 -1.26 -2.01 118.33 109.27 1jtb n VAL 6 Ca 0.27 1.34 0.05 0.00 -0.01 0.00 0.00 64.34 65.99 1jtb n VAL 6 Cb 0.88 -2.10 0.16 0.00 -0.91 0.00 0.00 33.84 31.87 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 -0.21 -0.80 4.52 3.58 -1.43 0.54 116.42 122.62 1jtb h ASP 7 Ca 0.00 0.17 0.16 0.00 0.42 0.00 0.00 57.03 57.79 1jtb h ASP 7 Cb 0.00 0.28 -0.15 0.00 1.72 0.00 0.00 39.33 41.18 1jtb h ASP 7 CO 0.00 -0.12 -0.16 -1.28 -2.88 0.00 0.00 179.24 174.79 1jtb h SER 8 N 0.16 -0.68 0.00 2.28 0.87 -0.81 0.50 113.55 115.88 1jtb h SER 8 Ca 0.40 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 61.19 1jtb h SER 8 Cb 0.69 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1jtb h SER 8 CO -0.59 -0.26 -1.52 0.29 -0.53 0.00 0.00 176.83 174.22 1jtb n LYS 9 N -5.50 0.61 0.00 2.24 4.76 -0.63 -4.61 118.16 115.04 1jtb n LYS 9 Ca 0.12 -0.11 0.06 0.00 -2.87 0.00 0.00 58.31 55.51 1jtb n LYS 9 Cb 0.43 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 32.14 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 -1.91 2.34 0.12 1.97 2.81 0.18 -3.17 117.12 119.46 1jtb n MET 10 Ca -0.01 -0.41 -0.17 0.00 -1.81 0.00 0.00 57.70 55.31 1jtb n MET 10 Cb 0.43 -1.13 -0.10 0.00 -0.71 0.00 0.00 33.22 31.71 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 0.84 -0.74 -1.27 0.03 1.63 -0.15 0.34 116.57 117.25 1jtb h LYS 11 Ca 0.00 0.05 0.37 0.00 -0.85 0.00 0.00 60.65 60.22 1jtb h LYS 11 Cb 0.38 0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 32.12 1jtb h LYS 11 CO 0.00 -0.49 1.16 -1.00 -3.45 0.00 0.00 179.45 175.67 1jtb h PRO 12 N -0.76 0.00 0.00 1.90 0.13 -1.85 0.33 132.00 131.75 1jtb h PRO 12 Ca -0.01 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.01 1jtb h PRO 12 Cb 0.77 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 1jtb h PRO 12 CO -0.28 0.00 -0.63 0.00 -0.23 0.00 0.00 178.00 176.86 1jtb h LEU 14 N -1.00 -1.54 -0.44 0.00 5.85 0.10 0.15 115.31 118.42 1jtb h LEU 14 Ca -0.17 0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1jtb h LEU 14 Cb 1.08 0.57 -0.06 0.00 0.37 0.00 0.00 40.66 42.62 1jtb h LEU 14 CO -0.10 -0.55 -0.32 0.71 -0.34 0.00 0.00 178.44 177.83 1jtb h THR 15 N -0.75 0.00 -0.74 1.05 1.35 -0.54 0.15 112.91 113.42 1jtb h THR 15 Ca -0.00 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.95 1jtb h THR 15 Cb 0.76 0.00 -0.12 0.00 -1.73 0.00 0.00 68.15 67.06 1jtb h THR 15 CO -0.28 0.00 -0.50 0.22 -0.25 0.00 0.00 175.52 174.71 1jtb h TYR 16 N -0.08 -1.51 -0.02 4.73 3.20 -0.71 0.40 116.97 122.99 1jtb h TYR 16 Ca 0.07 0.10 -0.10 0.00 3.14 0.00 0.00 58.73 61.94 1jtb h TYR 16 Cb 0.26 0.76 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 1jtb h TYR 16 CO -0.88 -0.42 -0.45 -0.39 -1.64 0.00 0.00 178.16 174.38 1jtb h VAL 17 N -0.15 1.33 0.00 1.81 -1.51 0.12 -2.74 116.25 115.10 1jtb h VAL 17 Ca 0.18 -1.57 0.00 0.00 -1.23 0.00 0.00 66.70 64.09 1jtb h VAL 17 Cb 0.53 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 1jtb h VAL 17 CO -0.80 0.45 0.00 0.06 -1.23 0.00 0.00 177.57 176.05 1jtb h GLN 18 N 0.04 0.00 0.00 5.19 3.07 -0.01 0.41 115.11 123.81 1jtb h GLN 18 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1jtb h GLN 18 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.37 1jtb h GLN 18 CO 0.06 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.39 1jtb n GLY 19 N 1.19 1.54 3.70 0.06 0.00 -0.30 -2.21 105.19 109.17 1jtb n GLY 19 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1jtb n GLY 19 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jtb s GLY 20 N -2.00 2.83 0.57 -0.02 0.00 0.13 -4.96 107.32 103.86 1jtb s GLY 20 Ca 0.00 -1.07 -0.17 0.00 0.00 0.00 0.00 44.72 43.48 1jtb s GLY 20 CO 0.00 -2.15 -0.25 -1.05 0.00 0.00 0.00 173.10 169.65 1jtb n PRO 21 N -1.15 0.00 0.00 2.90 -0.02 -1.26 -3.33 135.00 132.15 1jtb n PRO 21 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1jtb n PRO 21 Cb 0.67 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 33.21 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 2.56 -0.60 0.95 -1.23 0.00 -1.26 -3.06 105.19 102.54 1jtb n GLY 22 Ca 0.06 -2.26 0.12 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.56 2.29 0.00 1.61 -0.04 -1.26 -4.82 135.00 132.22 1jtb n PRO 23 Ca 0.00 -1.92 0.00 0.00 -0.04 0.00 0.00 63.50 61.54 1jtb n PRO 23 Cb 0.00 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 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 1.34 0.00 0.00 3.54 7.64 -1.26 -0.65 113.62 124.22 1jtb n SER 24 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1jtb n SER 24 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 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 -0.00 0.27 0.23 0.00 -1.26 -4.58 105.19 99.85 1jtb n GLY 25 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.92 -0.13 -0.04 1.61 0.28 -1.20 0.90 120.64 119.13 1jtb n GLU 26 Ca 0.00 1.09 -0.14 0.00 -0.16 0.00 0.00 57.16 57.95 1jtb n GLU 26 Cb 0.42 -1.62 -0.12 0.00 1.43 0.00 0.00 31.44 31.55 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 0.01 0.41 0.07 0.00 -1.07 -0.79 0.12 115.58 114.33 1jtb h ASN 29 Ca 0.57 -0.38 -0.00 0.00 0.07 0.00 0.00 56.30 56.56 1jtb h ASN 29 Cb 1.12 -0.11 -0.01 0.00 -2.07 0.00 0.00 38.32 37.26 1jtb h ASN 29 CO -0.95 0.70 -0.09 1.23 0.07 0.00 0.00 177.43 178.39 1jtb h GLY 30 N 0.12 -0.91 -0.63 9.14 0.00 0.90 0.18 103.07 111.87 1jtb h GLY 30 Ca 0.05 0.40 0.06 0.00 0.00 0.00 0.00 47.33 47.84 1jtb h GLY 30 CO 0.02 -0.33 -0.37 -0.62 0.00 0.00 0.00 176.54 175.25 1jtb n VAL 31 N -2.87 -0.42 0.34 4.60 0.31 0.26 0.33 118.33 120.87 1jtb n VAL 31 Ca -0.02 1.53 -0.18 0.00 -0.01 0.00 0.00 64.34 65.67 1jtb n VAL 31 Cb 0.08 -1.90 -0.09 0.00 -0.91 0.00 0.00 33.84 31.02 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 -0.90 -0.71 5.55 1.12 -0.50 0.23 114.38 119.17 1jtb h ARG 32 Ca 0.11 0.06 0.15 0.00 -1.11 0.00 0.00 59.98 59.19 1jtb h ARG 32 Cb 0.27 0.21 -0.12 0.00 -0.01 0.00 0.00 29.97 30.31 1jtb h ARG 32 CO -0.60 -0.60 -0.04 -0.44 -3.11 0.00 0.00 179.97 175.18 1jtb h ASP 33 N -0.94 -0.40 0.41 -3.80 5.19 0.18 0.18 116.42 117.25 1jtb h ASP 33 Ca -0.07 0.19 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1jtb h ASP 33 Cb 0.77 0.35 -0.03 0.00 0.18 0.00 0.00 39.33 40.60 1jtb h ASP 33 CO 0.06 -0.18 -0.45 -0.07 -3.12 0.00 0.00 179.24 175.48 1jtb h LEU 34 N 0.08 -1.26 -0.88 1.55 -0.00 0.39 0.89 115.31 116.09 1jtb h LEU 34 Ca 0.37 0.11 0.22 0.00 -0.00 0.00 0.00 57.88 58.58 1jtb h LEU 34 Cb 0.63 0.42 -0.16 0.00 -0.00 0.00 0.00 40.66 41.55 1jtb h LEU 34 CO -0.64 -0.60 0.06 -0.74 -0.00 0.00 0.00 178.44 176.52 1jtb h HIS 35 N -0.89 0.03 0.00 1.13 2.76 0.25 0.37 115.15 118.80 1jtb h HIS 35 Ca -0.04 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1jtb h HIS 35 Cb 0.80 0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.88 1jtb h HIS 35 CO -0.26 -0.31 -0.48 0.27 -1.30 0.00 0.00 177.93 175.85 1jtb n ASN 36 N -5.38 0.54 -0.08 3.26 6.94 -0.71 -3.20 115.26 116.62 1jtb n ASN 36 Ca 0.19 0.03 -0.17 0.00 -0.02 0.00 0.00 54.58 54.61 1jtb n ASN 36 Cb 0.63 0.09 -0.13 0.00 -2.36 0.00 0.00 39.78 38.01 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 -1.79 0.68 -0.10 -3.83 6.02 0.30 -3.86 117.38 114.81 1jtb n GLN 37 Ca 0.05 0.16 0.02 0.00 -0.01 0.00 0.00 57.00 57.22 1jtb n GLN 37 Cb 0.38 -1.59 0.07 0.00 1.02 0.00 0.00 30.24 30.13 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 -3.05 2.53 -1.16 -1.58 0.00 0.11 -4.29 120.51 113.08 1jtb n ALA 38 Ca -0.38 -0.29 -0.17 0.00 0.00 0.00 0.00 53.44 52.61 1jtb n ALA 38 Cb 1.04 -0.99 -0.13 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.03 2.13 0.00 0.00 7.27 -1.20 -3.25 117.38 122.30 1jtb n GLN 39 Ca 0.05 -1.43 0.00 0.00 0.07 0.00 0.00 57.00 55.69 1jtb n GLN 39 Cb 0.18 -2.04 0.00 0.00 2.41 0.00 0.00 30.24 30.79 1jtb n GLN 39 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1jtb n SER 40 N 1.97 0.35 -3.70 1.69 2.88 -1.26 -5.05 113.62 110.50 1jtb n SER 40 Ca 0.45 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.57 1jtb n SER 40 Cb 0.80 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.27 1jtb n SER 40 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1jtb n SER 41 N 0.00 7.04 0.00 -3.46 2.88 -1.26 -4.58 113.62 114.24 1jtb n SER 41 Ca 0.00 -3.37 0.00 0.00 -1.33 0.00 0.00 58.87 54.17 1jtb n SER 41 Cb 0.00 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.16 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 1.22 3.72 0.00 0.46 0.00 -1.26 -5.05 105.19 104.28 1jtb n GLY 42 Ca 0.47 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 -0.28 1.61 9.92 -1.26 -0.04 116.55 126.50 1jtb n ASP 43 Ca 0.00 0.31 0.16 0.00 -0.53 0.00 0.00 54.79 54.73 1jtb n ASP 43 Cb 0.00 -0.12 0.30 0.00 -0.64 0.00 0.00 41.12 40.66 1jtb n ASP 43 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1jtb n ARG 44 N -1.76 -0.06 0.02 -1.24 1.74 -1.20 0.11 116.66 114.27 1jtb n ARG 44 Ca 0.00 1.20 -0.19 0.00 -0.77 0.00 0.00 57.85 58.09 1jtb n ARG 44 Cb 0.00 -1.96 -0.10 0.00 -1.02 0.00 0.00 32.46 29.37 1jtb n ARG 44 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1jtb h GLN 45 N 0.00 0.66 -0.26 5.56 4.20 -0.72 -2.18 115.11 122.37 1jtb h GLN 45 Ca 0.54 -0.68 -0.05 0.00 0.06 0.00 0.00 58.65 58.52 1jtb h GLN 45 Cb 1.22 0.19 -0.02 0.00 0.30 0.00 0.00 27.48 29.17 1jtb h GLN 45 CO -0.73 1.27 -0.06 1.15 -0.67 0.00 0.00 178.83 179.79 1jtb h THR 46 N 0.32 1.19 -0.08 -0.54 2.02 0.30 0.34 112.91 116.47 1jtb h THR 46 Ca -0.11 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.27 1jtb h THR 46 Cb 1.58 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1jtb h THR 46 CO 0.18 0.27 0.05 0.58 0.37 0.00 0.00 175.52 176.96 1jtb h VAL 47 N 0.39 1.05 -0.89 3.16 2.07 -0.19 0.34 116.25 122.18 1jtb h VAL 47 Ca 0.08 -0.12 0.20 0.00 0.82 0.00 0.00 66.70 67.68 1jtb h VAL 47 Cb 0.36 0.99 -0.11 0.00 -1.52 0.00 0.00 31.29 31.00 1jtb h VAL 47 CO 0.02 0.04 0.43 0.00 0.02 0.00 0.00 177.57 178.07 1jtb h ASN 49 N 0.50 0.11 0.21 0.00 -0.26 0.15 0.25 115.58 116.54 1jtb h ASN 49 Ca 0.53 0.05 0.01 0.00 -0.56 0.00 0.00 56.30 56.33 1jtb h ASN 49 Cb 0.93 0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 38.20 1jtb h ASN 49 CO -0.47 0.10 -0.35 0.00 -1.06 0.00 0.00 177.43 175.65 1jtb h LEU 51 N -0.64 -1.75 -0.11 0.00 -0.00 0.20 0.22 115.31 113.24 1jtb h LEU 51 Ca 0.01 0.26 0.01 0.00 -0.00 0.00 0.00 57.88 58.16 1jtb h LEU 51 Cb 0.63 0.76 -0.02 0.00 -0.00 0.00 0.00 40.66 42.02 1jtb h LEU 51 CO -0.15 -0.35 -0.15 0.11 -0.00 0.00 0.00 178.44 177.90 1jtb h LYS 52 N -0.27 -0.10 -0.59 1.13 1.79 0.09 0.46 116.57 119.08 1jtb h LYS 52 Ca 0.13 0.01 0.16 0.00 -2.18 0.00 0.00 60.65 58.77 1jtb h LYS 52 Cb 0.56 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.21 1jtb h LYS 52 CO -0.69 -0.07 0.42 0.78 -1.08 0.00 0.00 179.45 178.81 1jtb h GLY 53 N -0.11 0.06 0.09 3.86 0.00 -0.14 0.00 103.07 106.84 1jtb h GLY 53 Ca 0.02 -0.02 -0.26 0.00 0.00 0.00 0.00 47.33 47.08 1jtb h GLY 53 CO -0.16 0.01 -1.41 4.51 0.00 0.00 0.00 176.54 179.48 1jtb n ILE 54 N -4.38 1.57 -0.34 2.60 3.06 0.73 -3.94 119.36 118.67 1jtb n ILE 54 Ca 0.11 -0.13 0.16 0.00 -2.50 0.00 0.00 62.75 60.39 1jtb n ILE 54 Cb 0.64 -1.99 0.31 0.00 0.54 0.00 0.00 39.64 39.13 1jtb n ILE 54 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1jtb n ALA 55 N -3.39 0.53 0.00 1.51 0.00 0.16 -0.37 120.51 118.95 1jtb n ALA 55 Ca -0.33 1.05 0.00 0.00 0.00 0.00 0.00 53.44 54.16 1jtb n ALA 55 Cb 0.74 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 -5.45 0.00 0.00 0.00 3.00 -0.04 -1.66 116.66 112.51 1jtb n ARG 56 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.09 1jtb n ARG 56 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.25 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 -0.83 0.00 0.00 5.14 0.00 -0.33 -5.07 105.19 104.09 1jtb n GLY 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.54 0.00 0.00 -0.61 5.41 0.51 -4.89 119.36 119.24 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 0.03 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.96 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 -3.30 1.39 8.25 -1.26 -4.97 115.22 115.33 1jtb n HIS 59 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 1jtb n HIS 59 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 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 0.00 3.29 -4.53 0.41 4.13 -0.94 -5.05 115.26 112.57 1jtb n ASN 60 Ca 0.00 -3.37 -0.28 0.00 1.68 0.00 0.00 54.58 52.61 1jtb n ASN 60 Cb 0.00 -0.64 -0.11 0.00 -1.54 0.00 0.00 39.78 37.48 1jtb n ASN 60 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1jtb n LEU 61 N 0.71 0.89 -3.04 3.41 7.94 -1.25 -4.31 117.00 121.34 1jtb n LEU 61 Ca 0.29 -0.63 -0.33 0.00 -1.11 0.00 0.00 56.01 54.23 1jtb n LEU 61 Cb 0.43 -1.22 -0.06 0.00 0.53 0.00 0.00 43.42 43.10 1jtb n LEU 61 CO 0.36 -1.64 3.03 -3.20 -1.11 0.00 0.00 177.39 174.83 1jtb n ASN 62 N 13.19 7.98 -0.25 1.96 4.05 0.14 -4.78 115.26 137.55 1jtb n ASN 62 Ca 0.53 -2.54 -0.02 0.00 0.45 0.00 0.00 54.58 52.99 1jtb n ASN 62 Cb 0.31 -1.52 0.00 0.00 1.23 0.00 0.00 39.78 39.80 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 3.38 -0.49 -0.33 1.20 -0.00 -1.26 0.43 117.00 119.92 1jtb n LEU 63 Ca 0.71 1.13 0.11 0.00 -0.00 0.00 0.00 56.01 57.96 1jtb n LEU 63 Cb 0.37 -0.23 0.23 0.00 -0.00 0.00 0.00 43.42 43.79 1jtb n LEU 63 CO 0.71 -0.99 0.78 0.78 -0.00 0.00 0.00 177.39 178.66 1jtb h ASN 64 N 0.00 -0.55 -0.10 1.96 2.35 -1.97 0.47 115.58 117.73 1jtb h ASN 64 Ca 0.19 0.27 -0.06 0.00 -0.55 0.00 0.00 56.30 56.15 1jtb h ASN 64 Cb 0.35 0.49 0.00 0.00 0.05 0.00 0.00 38.32 39.21 1jtb h ASN 64 CO -0.63 -0.31 -0.17 -0.55 -1.65 0.00 0.00 177.43 174.11 1jtb h ASN 65 N 0.03 0.33 -0.16 5.81 -1.07 -0.43 -2.02 115.58 118.05 1jtb h ASN 65 Ca 0.53 -0.55 0.05 0.00 0.07 0.00 0.00 56.30 56.41 1jtb h ASN 65 Cb 1.02 -0.09 -0.05 0.00 -2.07 0.00 0.00 38.32 37.12 1jtb h ASN 65 CO -0.89 0.81 -0.17 0.00 0.07 0.00 0.00 177.43 177.25 1jtb h ALA 66 N 0.52 -0.06 0.00 4.14 0.00 0.34 0.31 119.26 124.51 1jtb h ALA 66 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jtb h ALA 66 Cb 0.75 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1jtb h ALA 66 CO 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 179.25 178.68 1jtb n ALA 67 N -2.62 1.20 0.01 0.00 0.00 0.13 -0.51 120.51 118.72 1jtb n ALA 67 Ca -0.02 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.43 1jtb n ALA 67 Cb 0.23 -1.07 -0.11 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.50 0.47 0.13 0.00 2.88 0.93 -4.37 113.62 112.16 1jtb n SER 68 Ca 0.01 0.20 -0.14 0.00 -1.33 0.00 0.00 58.87 57.61 1jtb n SER 68 Cb 0.05 0.83 -0.07 0.00 -0.75 0.00 0.00 64.21 64.27 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 0.18 -0.80 2.46 1.08 0.74 -0.90 117.51 120.26 1jtb h ILE 69 Ca -0.17 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.44 1jtb h ILE 69 Cb 1.49 0.18 -0.10 0.00 -3.07 0.00 0.00 36.82 35.31 1jtb h ILE 69 CO 0.02 0.00 0.36 -0.65 -0.69 0.00 0.00 178.15 177.20 1jtb h PRO 70 N -0.66 0.50 0.38 2.37 0.11 -1.76 0.42 132.00 133.36 1jtb h PRO 70 Ca 0.02 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 1jtb h PRO 70 Cb 0.67 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1jtb h PRO 70 CO -0.22 0.33 -0.18 0.77 -0.21 0.00 0.00 178.00 178.48 1jtb h SER 71 N 0.51 -0.43 -1.10 -2.05 0.02 -1.78 -2.42 113.55 106.30 1jtb h SER 71 Ca 0.44 0.01 0.31 0.00 -0.84 0.00 0.00 61.79 61.72 1jtb h SER 71 Cb 0.67 0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.27 1jtb h SER 71 CO -0.40 -0.18 0.78 0.50 -1.14 0.00 0.00 176.83 176.39 1jtb h LYS 72 N -0.76 0.08 -0.56 3.45 3.11 -0.36 0.18 116.57 121.70 1jtb h LYS 72 Ca -0.05 -0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.62 1jtb h LYS 72 Cb 0.39 -0.02 -0.09 0.00 -1.00 0.00 0.00 32.23 31.51 1jtb h LYS 72 CO 0.08 0.05 0.15 0.00 -2.81 0.00 0.00 179.45 176.93 1jtb n ASN 74 N -0.40 -0.32 -0.31 0.00 5.15 0.05 -4.68 115.26 114.75 1jtb n ASN 74 Ca 0.35 -0.10 0.03 0.00 -0.60 0.00 0.00 54.58 54.26 1jtb n ASN 74 Cb 1.22 -0.12 0.06 0.00 -0.53 0.00 0.00 39.78 40.41 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 -1.22 0.63 -0.19 3.44 3.14 -0.95 -4.94 118.33 118.25 1jtb n VAL 75 Ca -0.01 -0.82 0.00 0.00 -2.96 0.00 0.00 64.34 60.55 1jtb n VAL 75 Cb 0.04 0.73 0.00 0.00 -1.06 0.00 0.00 33.84 33.55 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 0.16 0.00 -4.75 6.55 2.04 -1.26 -4.86 115.26 113.14 1jtb n ASN 76 Ca 0.05 0.00 -0.38 0.00 -0.44 0.00 0.00 54.58 53.81 1jtb n ASN 76 Cb 0.28 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.47 1jtb n ASN 76 CO 0.00 0.00 0.00 0.68 -0.44 0.00 0.00 177.26 177.50 1jtb s VAL 77 N 0.00 5.09 0.00 3.53 -7.23 -1.26 -4.95 120.40 115.58 1jtb s VAL 77 Ca 0.00 1.01 0.00 0.00 -1.81 0.00 0.00 61.98 61.18 1jtb s VAL 77 Cb 0.00 -3.83 0.00 0.00 0.56 0.00 0.00 36.38 33.11 1jtb s VAL 77 CO 0.00 0.39 0.00 -0.81 -0.31 0.00 0.00 175.10 174.37 1jtb n PRO 78 N 3.11 0.00 -2.41 4.82 -0.04 -1.26 -4.85 135.00 134.37 1jtb n PRO 78 Ca -0.08 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.33 1jtb n PRO 78 Cb 0.52 -0.32 -0.01 0.00 -0.04 0.00 0.00 33.50 33.64 1jtb n PRO 78 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1jtb n TYR 79 N 0.72 0.14 -0.10 0.54 9.36 -1.26 -0.75 117.16 125.82 1jtb n TYR 79 Ca 0.00 -0.40 -0.13 0.00 3.32 0.00 0.00 57.90 60.69 1jtb n TYR 79 Cb 0.00 -0.04 -0.09 0.00 -0.63 0.00 0.00 39.34 38.58 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 -0.19 1.13 -4.08 2.97 -1.04 -1.24 -4.66 114.28 107.17 1jtb n THR 80 Ca -0.03 -0.46 -0.37 0.00 -2.04 0.00 0.00 64.05 61.16 1jtb n THR 80 Cb 0.10 -1.14 -0.02 0.00 -1.82 0.00 0.00 70.33 67.45 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 -3.03 -1.77 -4.02 12.58 2.08 -1.26 -4.94 119.36 119.00 1jtb n ILE 81 Ca -0.34 -0.50 -0.24 0.00 0.56 0.00 0.00 62.75 62.23 1jtb n ILE 81 Cb 0.89 -1.55 -0.01 0.00 -0.75 0.00 0.00 39.64 38.21 1jtb n ILE 81 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1jtb n SER 82 N -2.08 2.68 -4.39 4.38 7.64 -1.26 -4.72 113.62 115.86 1jtb n SER 82 Ca -0.17 -2.71 -0.35 0.00 1.01 0.00 0.00 58.87 56.65 1jtb n SER 82 Cb 0.55 0.04 0.09 0.00 -1.01 0.00 0.00 64.21 63.88 1jtb n SER 82 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1jtb n PRO 83 N -1.50 -0.01 0.00 1.43 -0.04 -1.26 -4.29 135.00 129.33 1jtb n PRO 83 Ca -0.06 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1jtb n PRO 83 Cb 0.55 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1jtb n PRO 83 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1jtb n ASP 84 N -0.36 0.00 0.00 3.54 -0.08 -1.26 -4.59 116.55 113.80 1jtb n ASP 84 Ca 0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 1jtb n ASP 84 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 1jtb n ASP 84 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jtb n ILE 85 N 0.00 0.00 0.35 5.18 3.06 -1.26 -4.88 119.36 121.81 1jtb n ILE 85 Ca 0.00 0.00 -0.18 0.00 -2.50 0.00 0.00 62.75 60.07 1jtb n ILE 85 Cb 0.00 0.00 -0.09 0.00 0.54 0.00 0.00 39.64 40.09 1jtb n ILE 85 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 1jtb h ASP 86 N 0.00 -1.02 0.00 9.51 5.19 -1.95 -3.45 116.42 124.70 1jtb h ASP 86 Ca 0.00 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1jtb h ASP 86 Cb 0.00 0.30 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1jtb h ASP 86 CO 0.00 -0.62 0.00 0.00 -3.12 0.00 0.00 179.24 175.50 1jtb n SER 88 N 0.00 0.11 -2.22 0.00 2.88 -1.26 -3.87 113.62 109.25 1jtb n SER 88 Ca 0.00 0.51 -0.29 0.00 -1.33 0.00 0.00 58.87 57.76 1jtb n SER 88 Cb 0.00 -0.54 0.04 0.00 -0.75 0.00 0.00 64.21 62.96 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 -1.60 3.24 -4.35 -1.46 1.85 -1.26 -4.90 116.66 108.17 1jtb n ARG 89 Ca 0.07 -3.87 -0.25 0.00 -1.00 0.00 0.00 57.85 52.80 1jtb n ARG 89 Cb 0.34 -2.28 -0.12 0.00 -1.05 0.00 0.00 32.46 29.35 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 -4.80 2.00 -0.06 8.89 1.01 -1.25 -3.64 121.20 123.36 1jtb s ILE 90 Ca 0.55 -1.84 0.00 0.00 0.00 0.00 0.00 60.65 59.37 1jtb s ILE 90 Cb 0.44 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 41.04 1jtb s ILE 90 CO -0.03 -0.14 0.51 -1.22 0.00 0.00 0.00 174.94 174.06