#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 -2.81 -1.43 5.15 -1.26 -4.98 115.26 109.93 1jtb n ASN 2 Ca 0.00 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.59 1jtb n ASN 2 Cb 0.00 0.14 0.04 0.00 -0.53 0.00 0.00 39.78 39.43 1jtb n ASN 2 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jtb n GLY 4 N -0.59 -0.33 0.28 0.00 0.00 -1.26 -4.43 105.19 98.86 1jtb n GLY 4 Ca 0.54 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.66 0.14 0.00 1.61 1.08 -1.98 -1.69 115.11 113.61 1jtb h GLN 5 Ca -0.24 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 1jtb h GLN 5 Cb 1.05 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 1jtb h GLN 5 CO -0.15 0.09 0.00 0.28 -0.95 0.00 0.00 178.83 178.11 1jtb n VAL 6 N -5.30 0.00 -0.08 -0.54 0.31 -1.26 0.51 118.33 111.97 1jtb n VAL 6 Ca 0.16 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.33 1jtb n VAL 6 Cb 0.52 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.33 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 0.00 -1.46 4.52 3.58 -1.59 -1.58 116.42 119.89 1jtb h ASP 7 Ca 0.00 -0.84 0.49 0.00 0.42 0.00 0.00 57.03 57.10 1jtb h ASP 7 Cb 0.00 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 40.92 1jtb h ASP 7 CO 0.00 1.09 0.96 -1.28 -2.88 0.00 0.00 179.24 177.13 1jtb h SER 8 N -1.00 0.17 0.00 2.28 0.87 0.79 0.25 113.55 116.91 1jtb h SER 8 Ca -0.08 0.14 -0.18 0.00 -1.23 0.00 0.00 61.79 60.44 1jtb h SER 8 Cb 1.03 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 63.10 1jtb h SER 8 CO -0.05 -0.23 -1.78 0.29 -0.53 0.00 0.00 176.83 174.53 1jtb n LYS 9 N -4.63 1.76 -0.02 2.24 4.76 0.51 -4.82 118.16 117.95 1jtb n LYS 9 Ca 0.41 -0.03 0.01 0.00 -2.87 0.00 0.00 58.31 55.84 1jtb n LYS 9 Cb 1.63 -1.31 0.03 0.00 -1.84 0.00 0.00 35.03 33.54 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 -2.36 1.46 -0.37 1.97 2.81 -0.44 -4.15 117.12 116.04 1jtb n MET 10 Ca -0.17 -1.22 -0.10 0.00 -1.81 0.00 0.00 57.70 54.40 1jtb n MET 10 Cb 0.79 -1.06 -0.09 0.00 -0.71 0.00 0.00 33.22 32.16 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 -0.09 -0.39 0.31 0.03 3.00 -0.05 0.74 118.16 121.71 1jtb n LYS 11 Ca 0.02 1.36 0.19 0.00 -0.00 0.00 0.00 58.31 59.88 1jtb n LYS 11 Cb 0.20 -2.00 1.00 0.00 0.00 0.00 0.00 35.03 34.23 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 0.10 1.64 0.13 -1.87 0.12 132.00 132.12 1jtb h PRO 12 Ca 0.14 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.94 1jtb h PRO 12 Cb 0.36 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.47 1jtb h PRO 12 CO -0.83 0.00 -1.79 0.00 -0.23 0.00 0.00 178.00 175.15 1jtb h LEU 14 N -0.20 -0.09 -0.70 0.00 5.85 -0.50 -1.18 115.31 118.48 1jtb h LEU 14 Ca -0.40 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.19 1jtb h LEU 14 Cb 1.85 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 42.81 1jtb h LEU 14 CO 0.02 0.15 -0.49 0.71 -0.34 0.00 0.00 178.44 178.48 1jtb h THR 15 N -0.34 0.00 -0.65 1.05 1.35 -0.90 0.31 112.91 113.73 1jtb h THR 15 Ca -0.01 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.91 1jtb h THR 15 Cb 0.29 0.00 -0.08 0.00 -1.73 0.00 0.00 68.15 66.63 1jtb h THR 15 CO 0.02 0.00 -0.40 0.22 -0.25 0.00 0.00 175.52 175.11 1jtb h TYR 16 N -0.10 -1.29 -0.79 4.73 3.20 -0.95 0.34 116.97 122.12 1jtb h TYR 16 Ca 0.11 0.09 0.03 0.00 3.14 0.00 0.00 58.73 62.10 1jtb h TYR 16 Cb 0.40 0.65 -0.04 0.00 1.54 0.00 0.00 36.73 39.27 1jtb h TYR 16 CO -0.92 -0.26 0.52 -0.39 -1.64 0.00 0.00 178.16 175.47 1jtb h VAL 17 N -0.03 1.13 0.00 1.81 -1.51 0.23 -1.63 116.25 116.26 1jtb h VAL 17 Ca 0.10 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 1jtb h VAL 17 Cb 0.29 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.52 1jtb h VAL 17 CO -0.62 0.18 -0.17 0.00 -1.23 0.00 0.00 177.57 175.73 1jtb n GLN 18 N -4.45 0.07 0.00 5.19 10.64 -0.18 0.13 117.38 128.79 1jtb n GLN 18 Ca 0.10 0.04 0.00 0.00 -1.83 0.00 0.00 57.00 55.31 1jtb n GLN 18 Cb 0.11 -1.57 0.00 0.00 -0.86 0.00 0.00 30.24 27.92 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 1.45 1.70 0.00 2.61 0.00 0.85 -2.06 105.19 109.75 1jtb n GLY 19 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.58 3.28 2.30 -0.02 0.00 0.76 -4.96 105.19 105.97 1jtb n GLY 20 Ca 0.00 -2.17 -0.04 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.43 0.70 -3.64 1.61 -0.02 -1.26 -4.00 135.00 127.96 1jtb n PRO 21 Ca 0.00 -0.34 -0.18 0.00 -2.02 0.00 0.00 63.50 60.96 1jtb n PRO 21 Cb 0.00 -1.66 -0.05 0.00 -0.02 0.00 0.00 33.50 31.77 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 2.78 3.57 0.03 -1.23 0.00 -1.26 -4.83 105.19 104.26 1jtb n GLY 22 Ca 0.15 -2.10 0.11 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.66 0.31 0.00 1.61 -0.04 -1.26 -4.66 135.00 130.30 1jtb n PRO 23 Ca -0.06 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1jtb n PRO 23 Cb 0.41 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.99 0.00 0.00 3.54 7.64 -1.26 -1.06 113.62 120.50 1jtb n SER 24 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1jtb n SER 24 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 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 0.39 0.23 0.00 -1.26 -4.78 105.19 99.76 1jtb n GLY 25 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 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 0.51 0.05 1.61 9.09 -1.99 -1.76 114.58 122.09 1jtb h GLU 26 Ca 0.00 -0.03 -0.00 0.00 0.05 0.00 0.00 59.36 59.38 1jtb h GLU 26 Cb 0.31 -0.12 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 1jtb h GLU 26 CO 0.00 0.34 -0.02 0.00 0.05 0.00 0.00 179.01 179.37 1jtb h ASN 29 N 0.00 -0.08 -0.99 0.00 7.08 -1.39 0.93 115.58 121.12 1jtb h ASN 29 Ca 0.37 -0.47 0.36 0.00 -3.08 0.00 0.00 56.30 53.48 1jtb h ASN 29 Cb 0.58 0.02 -0.17 0.00 -2.08 0.00 0.00 38.32 36.68 1jtb h ASN 29 CO -0.85 0.46 0.49 1.23 -2.08 0.00 0.00 177.43 176.68 1jtb h GLY 30 N -0.67 2.06 0.45 9.14 0.00 0.27 0.38 103.07 114.69 1jtb h GLY 30 Ca -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1jtb h GLY 30 CO 0.02 -0.63 -0.22 -2.08 0.00 0.00 0.00 176.54 173.63 1jtb h VAL 31 N 0.15 0.00 -0.67 4.60 2.07 -0.21 0.28 116.25 122.47 1jtb h VAL 31 Ca 0.77 -0.31 0.13 0.00 0.82 0.00 0.00 66.70 68.11 1jtb h VAL 31 Cb 1.87 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.54 1jtb h VAL 31 CO -0.71 0.00 0.16 -0.09 0.02 0.00 0.00 177.57 176.96 1jtb h ARG 32 N -0.91 0.28 0.00 1.57 1.12 -0.05 0.24 114.38 116.63 1jtb h ARG 32 Ca -0.06 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.79 1jtb h ARG 32 Cb 0.46 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.36 1jtb h ARG 32 CO 0.10 0.18 0.00 -3.47 -3.11 0.00 0.00 179.97 173.67 1jtb n ASP 33 N -5.12 0.00 -0.16 -3.80 2.03 0.13 -2.08 116.55 107.54 1jtb n ASP 33 Ca 0.11 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.79 1jtb n ASP 33 Cb 0.38 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.81 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 -0.43 -0.24 -0.19 -2.67 7.99 1.00 0.14 117.00 122.59 1jtb n LEU 34 Ca 0.00 0.75 -0.02 0.00 -0.01 0.00 0.00 56.01 56.73 1jtb n LEU 34 Cb 0.00 -0.19 0.04 0.00 -0.11 0.00 0.00 43.42 43.17 1jtb n LEU 34 CO 0.00 -0.69 0.73 -0.74 -1.51 0.00 0.00 177.39 175.18 1jtb h HIS 35 N 0.00 -0.39 0.00 -1.77 2.76 -0.41 0.36 115.15 115.70 1jtb h HIS 35 Ca 0.17 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1jtb h HIS 35 Cb 0.28 0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.49 1jtb h HIS 35 CO -0.37 -0.27 -0.72 -0.97 -1.30 0.00 0.00 177.93 174.31 1jtb h ASN 36 N -0.03 0.00 0.22 3.26 -1.24 0.18 -3.39 115.58 114.58 1jtb h ASN 36 Ca 0.27 -0.10 -0.34 0.00 0.71 0.00 0.00 56.30 56.84 1jtb h ASN 36 Cb 0.44 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.45 1jtb h ASN 36 CO -0.60 0.05 -2.00 0.00 -1.29 0.00 0.00 177.43 173.59 1jtb n GLN 37 N -2.46 0.70 -0.46 6.67 1.13 0.30 -4.32 117.38 118.94 1jtb n GLN 37 Ca 0.02 0.23 -0.06 0.00 -1.94 0.00 0.00 57.00 55.25 1jtb n GLN 37 Cb 0.50 -1.70 0.02 0.00 0.11 0.00 0.00 30.24 29.18 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 -2.85 3.82 -1.92 -1.58 0.00 0.12 -4.09 120.51 114.01 1jtb n ALA 38 Ca -0.29 -0.62 -0.27 0.00 0.00 0.00 0.00 53.44 52.26 1jtb n ALA 38 Cb 1.05 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 19.41 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 0.63 3.37 -0.05 0.00 6.02 -1.26 -2.77 117.38 123.31 1jtb n GLN 39 Ca 0.12 -3.99 -0.04 0.00 -0.01 0.00 0.00 57.00 53.07 1jtb n GLN 39 Cb 0.62 -2.28 -0.01 0.00 1.02 0.00 0.00 30.24 29.59 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 -0.72 1.05 -0.11 1.08 3.41 -1.26 -4.74 113.62 112.32 1jtb n SER 40 Ca 0.48 0.25 0.04 0.00 -0.26 0.00 0.00 58.87 59.38 1jtb n SER 40 Cb 0.84 -0.65 0.06 0.00 -0.26 0.00 0.00 64.21 64.20 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 -3.57 1.60 0.00 4.04 2.88 -1.26 -4.93 113.62 112.38 1jtb n SER 41 Ca -0.07 -2.37 0.00 0.00 -1.33 0.00 0.00 58.87 55.11 1jtb n SER 41 Cb 0.25 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 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 -0.77 1.06 0.00 0.46 0.00 -1.26 -5.03 105.19 99.65 1jtb n GLY 42 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.30 1.61 9.92 -1.12 -0.44 116.55 126.83 1jtb n ASP 43 Ca 0.00 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.39 1jtb n ASP 43 Cb 0.00 0.00 0.67 0.00 -0.64 0.00 0.00 41.12 41.15 1jtb n ASP 43 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 1jtb h ARG 44 N 0.00 0.00 0.00 -1.24 -0.00 -1.91 0.47 114.38 111.70 1jtb h ARG 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1jtb h ARG 44 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 1jtb h ARG 44 CO 0.00 0.00 -0.50 1.96 -0.00 0.00 0.00 179.97 181.43 1jtb h GLN 45 N 0.00 0.00 0.00 0.08 7.50 -1.07 -1.14 115.11 120.48 1jtb h GLN 45 Ca 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 58.65 59.01 1jtb h GLN 45 Cb 0.76 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.26 1jtb h GLN 45 CO 0.00 0.00 -0.98 2.41 -1.50 0.00 0.00 178.83 178.76 1jtb n THR 46 N -2.78 1.49 -0.22 -0.54 -1.04 0.13 -4.09 114.28 107.22 1jtb n THR 46 Ca 0.02 0.07 -0.06 0.00 -2.04 0.00 0.00 64.05 62.04 1jtb n THR 46 Cb 0.53 -2.18 -0.00 0.00 -1.82 0.00 0.00 70.33 66.85 1jtb n THR 46 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1jtb h VAL 47 N -1.00 0.13 -0.40 12.58 2.07 -0.59 -0.31 116.25 128.73 1jtb h VAL 47 Ca -0.21 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.34 1jtb h VAL 47 Cb 0.99 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1jtb h VAL 47 CO -0.13 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.22 1jtb h ASN 49 N 0.00 0.57 -0.07 0.00 2.35 -1.22 0.35 115.58 117.56 1jtb h ASN 49 Ca 0.06 0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1jtb h ASN 49 Cb 0.16 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 1jtb h ASN 49 CO -0.38 0.20 0.03 0.00 -1.65 0.00 0.00 177.43 175.64 1jtb h LEU 51 N -0.03 -1.21 -0.94 0.00 3.38 0.13 -1.23 115.31 115.40 1jtb h LEU 51 Ca 0.02 0.12 0.18 0.00 0.09 0.00 0.00 57.88 58.29 1jtb h LEU 51 Cb 0.15 0.43 -0.17 0.00 0.09 0.00 0.00 40.66 41.15 1jtb h LEU 51 CO -0.00 -0.48 -0.28 0.11 0.09 0.00 0.00 178.44 177.88 1jtb h LYS 52 N -0.67 -0.01 -0.48 1.13 1.57 -0.28 0.36 116.57 118.19 1jtb h LYS 52 Ca -0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1jtb h LYS 52 Cb 0.64 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1jtb h LYS 52 CO -0.16 -0.01 0.25 0.78 -0.57 0.00 0.00 179.45 179.74 1jtb h GLY 53 N -0.01 0.73 0.37 3.86 0.00 -0.25 0.67 103.07 108.45 1jtb h GLY 53 Ca 0.42 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 1jtb h GLY 53 CO -0.96 0.33 -0.04 1.19 0.00 0.00 0.00 176.54 177.06 1jtb h ILE 54 N 0.63 1.52 -0.89 2.60 2.10 0.08 -3.19 117.51 120.35 1jtb h ILE 54 Ca 0.17 -1.59 0.20 0.00 1.08 0.00 0.00 64.86 64.72 1jtb h ILE 54 Cb 0.09 2.57 -0.17 0.00 -1.09 0.00 0.00 36.82 38.22 1jtb h ILE 54 CO -0.02 0.42 -0.16 0.00 -1.08 0.00 0.00 178.15 177.31 1jtb n ALA 55 N -2.44 0.28 0.00 0.18 0.00 0.11 -1.23 120.51 117.41 1jtb n ALA 55 Ca -0.09 0.98 0.00 0.00 0.00 0.00 0.00 53.44 54.33 1jtb n ALA 55 Cb 0.35 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.18 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 -5.42 0.00 0.00 0.00 0.63 0.22 -2.42 116.66 109.67 1jtb n ARG 56 Ca 0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 1jtb n ARG 56 Cb 0.51 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.42 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 -0.99 0.00 1.42 5.14 0.00 -0.50 -5.12 105.19 105.15 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 -2.24 0.00 0.00 -0.61 5.41 -0.37 -4.95 119.36 116.60 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 0.35 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.28 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 -3.20 1.39 -0.00 -1.26 -4.99 115.22 107.16 1jtb n HIS 59 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.47 1jtb n HIS 59 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 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 -0.70 2.54 -4.47 0.26 3.02 -0.87 -5.08 115.26 109.95 1jtb n ASN 60 Ca 0.00 -3.25 -0.44 0.00 -0.03 0.00 0.00 54.58 50.86 1jtb n ASN 60 Cb 0.00 -0.63 -0.09 0.00 -0.61 0.00 0.00 39.78 38.45 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 0.60 1.42 -3.78 3.41 7.94 -1.25 -4.31 117.00 121.01 1jtb n LEU 61 Ca 0.27 0.11 -0.42 0.00 -1.11 0.00 0.00 56.01 54.86 1jtb n LEU 61 Cb 0.48 -1.20 0.01 0.00 0.53 0.00 0.00 43.42 43.24 1jtb n LEU 61 CO 0.30 -0.96 1.54 -3.20 -1.11 0.00 0.00 177.39 173.96 1jtb n ASN 62 N 11.51 6.79 -0.33 1.96 2.85 0.12 -4.82 115.26 133.34 1jtb n ASN 62 Ca 0.50 -3.43 0.24 0.00 -0.11 0.00 0.00 54.58 51.78 1jtb n ASN 62 Cb 0.22 -1.28 0.47 0.00 1.24 0.00 0.00 39.78 40.43 1jtb n ASN 62 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1jtb h LEU 63 N 5.39 0.31 -0.58 1.20 6.46 -1.87 0.56 115.31 126.79 1jtb h LEU 63 Ca 0.41 0.22 0.11 0.00 -0.12 0.00 0.00 57.88 58.50 1jtb h LEU 63 Cb 0.47 0.22 -0.09 0.00 -0.73 0.00 0.00 40.66 40.53 1jtb h LEU 63 CO 1.35 -0.24 0.07 0.78 -0.62 0.00 0.00 178.44 179.78 1jtb h ASN 64 N 0.19 -0.11 -0.20 1.25 4.21 -1.97 0.41 115.58 119.37 1jtb h ASN 64 Ca 0.73 0.12 -0.01 0.00 1.21 0.00 0.00 56.30 58.36 1jtb h ASN 64 Cb 1.73 0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 39.11 1jtb h ASN 64 CO -0.68 -0.04 0.09 -0.55 -1.29 0.00 0.00 177.43 174.96 1jtb h ASN 65 N 0.19 0.26 -0.24 5.81 -1.07 -0.30 -0.59 115.58 119.65 1jtb h ASN 65 Ca 0.30 -0.13 0.05 0.00 0.07 0.00 0.00 56.30 56.59 1jtb h ASN 65 Cb 0.46 -0.07 -0.05 0.00 -2.07 0.00 0.00 38.32 36.59 1jtb h ASN 65 CO -0.43 0.31 -0.08 0.00 0.07 0.00 0.00 177.43 177.30 1jtb h ALA 66 N 0.96 0.13 0.00 4.14 0.00 0.01 0.32 119.26 124.82 1jtb h ALA 66 Ca 0.07 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1jtb h ALA 66 Cb 0.12 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1jtb h ALA 66 CO -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 179.25 178.75 1jtb n ALA 67 N -2.50 1.53 1.01 0.00 0.00 0.12 -0.21 120.51 120.46 1jtb n ALA 67 Ca -0.01 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.60 1jtb n ALA 67 Cb 0.16 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.05 1.51 0.03 0.00 2.88 0.73 -4.31 113.62 112.42 1jtb n SER 68 Ca 0.02 -1.24 -0.11 0.00 -1.33 0.00 0.00 58.87 56.21 1jtb n SER 68 Cb 0.17 0.68 -0.06 0.00 -0.75 0.00 0.00 64.21 64.25 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 1.29 0.91 -0.23 2.46 2.04 0.27 -1.67 117.51 122.59 1jtb h ILE 69 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1jtb h ILE 69 Cb 0.63 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1jtb h ILE 69 CO 0.00 0.00 0.10 -0.65 0.00 0.00 0.00 178.15 177.60 1jtb h PRO 70 N -0.03 0.35 -0.84 2.37 0.11 -1.75 0.41 132.00 132.62 1jtb h PRO 70 Ca 0.03 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1jtb h PRO 70 Cb 0.07 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.08 1jtb h PRO 70 CO -0.06 0.38 0.52 0.77 -0.21 0.00 0.00 178.00 179.40 1jtb h SER 71 N 0.23 0.99 -0.20 -2.05 0.02 -1.79 -2.20 113.55 108.55 1jtb h SER 71 Ca 0.08 -0.06 -0.21 0.00 -0.84 0.00 0.00 61.79 60.77 1jtb h SER 71 Cb 0.16 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.45 1jtb h SER 71 CO -0.01 0.76 -0.68 0.50 -1.14 0.00 0.00 176.83 176.26 1jtb h LYS 72 N 1.14 0.83 -0.94 3.45 3.64 -0.85 -3.35 116.57 120.49 1jtb h LYS 72 Ca 0.30 -0.61 -0.64 0.00 -1.27 0.00 0.00 60.65 58.44 1jtb h LYS 72 Cb -0.07 0.10 -0.31 0.00 -0.41 0.00 0.00 32.23 31.55 1jtb h LYS 72 CO -0.06 1.23 0.53 0.00 -2.27 0.00 0.00 179.45 178.88 1jtb n ASN 74 N -0.90 0.00 -0.11 0.00 2.85 -0.86 -4.60 115.26 111.64 1jtb n ASN 74 Ca 0.59 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 55.08 1jtb n ASN 74 Cb 0.78 0.00 0.05 0.00 1.24 0.00 0.00 39.78 41.85 1jtb n ASN 74 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1jtb n VAL 75 N -0.97 1.19 0.00 3.44 3.14 -1.12 -4.91 118.33 119.10 1jtb n VAL 75 Ca 0.00 -1.24 0.00 0.00 -2.96 0.00 0.00 64.34 60.14 1jtb n VAL 75 Cb 0.00 0.35 0.00 0.00 -1.06 0.00 0.00 33.84 33.13 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 -0.54 0.00 -4.45 6.55 6.94 -1.26 -4.87 115.26 117.62 1jtb n ASN 76 Ca 0.05 0.00 -0.33 0.00 -0.02 0.00 0.00 54.58 54.28 1jtb n ASN 76 Cb 0.36 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.64 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 0.00 3.14 -0.52 3.53 0.11 -1.26 -5.01 120.40 120.40 1jtb s VAL 77 Ca 0.00 -0.67 0.21 0.00 -2.93 0.00 0.00 61.98 58.59 1jtb s VAL 77 Cb 0.00 -2.27 0.21 0.00 -1.53 0.00 0.00 36.38 32.79 1jtb s VAL 77 CO 0.00 0.57 1.63 -0.81 -3.33 0.00 0.00 175.10 173.16 1jtb n PRO 78 N 2.76 0.15 -0.39 1.54 -0.04 -1.26 -4.85 135.00 132.90 1jtb n PRO 78 Ca -0.18 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1jtb n PRO 78 Cb 0.52 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 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 -2.10 0.00 0.00 0.54 9.36 -1.26 -4.16 117.16 119.53 1jtb n TYR 79 Ca 0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 1jtb n TYR 79 Cb 0.17 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.88 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 -0.11 0.00 -2.89 2.97 -1.04 -0.96 -4.69 114.28 107.56 1jtb n THR 80 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1jtb n THR 80 Cb 0.00 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 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 -7.16 -3.89 12.58 2.08 -1.26 -5.07 119.36 116.64 1jtb n ILE 81 Ca 0.00 -1.00 -0.09 0.00 0.56 0.00 0.00 62.75 62.22 1jtb n ILE 81 Cb 0.00 -5.64 -0.07 0.00 -0.75 0.00 0.00 39.64 33.18 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 -3.38 0.05 0.22 4.38 0.01 -1.26 -4.86 113.70 108.85 1jtb s SER 82 Ca 0.32 -0.74 -0.08 0.00 1.31 0.00 0.00 55.95 56.76 1jtb s SER 82 Cb -0.04 0.40 0.35 0.00 0.21 0.00 0.00 66.02 66.94 1jtb s SER 82 CO 0.58 -0.83 1.71 -0.65 0.41 0.00 0.00 173.24 174.45 1jtb h PRO 83 N 2.60 0.29 -0.68 12.44 0.11 -1.99 0.18 132.00 144.95 1jtb h PRO 83 Ca -0.33 -0.02 -0.46 0.00 0.11 0.00 0.00 66.00 65.31 1jtb h PRO 83 Cb 1.22 -0.07 -0.29 0.00 0.11 0.00 0.00 31.00 31.98 1jtb h PRO 83 CO 0.51 0.19 -0.16 -0.40 -0.21 0.00 0.00 178.00 177.93 1jtb n ASP 84 N -5.11 4.76 0.00 -2.05 5.75 -1.26 -4.80 116.55 113.83 1jtb n ASP 84 Ca 0.11 -3.78 0.00 0.00 -0.01 0.00 0.00 54.79 51.11 1jtb n ASP 84 Cb 0.36 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 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 -0.90 0.00 -3.54 2.12 3.06 0.62 -4.89 119.36 115.83 1jtb n ILE 85 Ca 0.45 0.00 -0.36 0.00 -2.50 0.00 0.00 62.75 60.34 1jtb n ILE 85 Cb 0.92 0.00 -0.07 0.00 0.54 0.00 0.00 39.64 41.03 1jtb n ILE 85 CO 0.00 0.00 0.00 -1.81 -2.50 0.00 0.00 176.55 172.24 1jtb s ASP 86 N 0.00 6.44 0.52 9.51 1.11 -1.26 -4.72 116.67 128.28 1jtb s ASP 86 Ca 0.00 0.52 0.27 0.00 0.18 0.00 0.00 52.55 53.52 1jtb s ASP 86 Cb 0.00 -2.18 1.44 0.00 1.07 0.00 0.00 42.92 43.25 1jtb s ASP 86 CO 0.00 0.11 2.07 0.00 1.18 0.00 0.00 175.17 178.53 1jtb n SER 88 N -3.66 0.04 -0.79 0.00 2.88 -1.26 -3.32 113.62 107.51 1jtb n SER 88 Ca -0.02 0.51 0.06 0.00 -1.33 0.00 0.00 58.87 58.09 1jtb n SER 88 Cb 0.24 -0.51 0.22 0.00 -0.75 0.00 0.00 64.21 63.40 1jtb n SER 88 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1jtb n ARG 89 N -1.54 2.31 -3.76 -1.46 1.74 -1.12 -5.00 116.66 107.84 1jtb n ARG 89 Ca 0.05 -2.89 -0.21 0.00 -0.77 0.00 0.00 57.85 54.04 1jtb n ARG 89 Cb 0.26 -1.77 -0.03 0.00 -1.02 0.00 0.00 32.46 29.90 1jtb n ARG 89 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1jtb s ILE 90 N -2.95 3.97 0.00 0.55 1.01 -1.21 -2.25 121.20 120.31 1jtb s ILE 90 Ca 0.41 -1.23 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1jtb s ILE 90 Cb 0.35 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1jtb s ILE 90 CO 0.05 -0.20 0.21 -1.22 0.00 0.00 0.00 174.94 173.78