#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jd1 s LEU 5 N 0.00 3.52 -0.18 -4.42 1.43 -1.26 -1.71 118.68 116.07 1jd1 s LEU 5 Ca 0.00 -0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1jd1 s LEU 5 Cb 0.00 -1.88 0.05 0.00 0.03 0.00 0.00 46.19 44.39 1jd1 s LEU 5 CO 0.00 0.13 -0.02 -0.89 0.23 0.00 0.00 176.35 175.81 1jd1 s THR 6 N 0.59 0.90 0.17 5.49 2.01 0.80 -4.95 115.64 120.66 1jd1 s THR 6 Ca 0.01 -0.63 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 1jd1 s THR 6 Cb -0.14 -1.21 -0.08 0.00 0.01 0.00 0.00 72.50 71.09 1jd1 s THR 6 CO 0.02 -0.02 1.31 -2.84 -0.69 0.00 0.00 174.62 172.40 1jd1 s PRO 7 N 1.71 4.39 -0.17 4.92 0.02 -1.26 -0.60 135.00 144.00 1jd1 s PRO 7 Ca -0.01 2.03 -0.03 0.00 0.02 0.00 0.00 61.00 63.01 1jd1 s PRO 7 Cb -0.16 -3.22 -0.02 0.00 0.02 0.00 0.00 34.50 31.12 1jd1 s PRO 7 CO -0.07 -0.27 -0.04 0.08 -0.33 0.00 0.00 177.00 176.36 1jd1 s VAL 8 N 0.34 3.72 -0.17 3.83 1.01 0.10 -4.94 120.40 124.28 1jd1 s VAL 8 Ca 0.58 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 1jd1 s VAL 8 Cb -0.36 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 1jd1 s VAL 8 CO 0.36 0.48 -0.06 0.27 0.00 0.00 0.00 175.10 176.15 1jd1 s ILE 9 N 0.60 3.52 -0.26 2.22 -4.36 -1.26 -2.22 121.20 119.44 1jd1 s ILE 9 Ca -0.03 -0.47 -0.05 0.00 -0.26 0.00 0.00 60.65 59.84 1jd1 s ILE 9 Cb -0.15 -2.55 0.00 0.00 1.25 0.00 0.00 42.46 41.02 1jd1 s ILE 9 CO 0.03 0.47 0.01 0.00 0.24 0.00 0.00 174.94 175.68 1jd1 h GLU 11 N 8.14 0.00 -0.58 0.00 5.08 -1.98 -2.91 114.58 122.33 1jd1 h GLU 11 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1jd1 h GLU 11 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1jd1 h GLU 11 CO 0.59 0.30 0.00 -1.13 -1.00 0.00 0.00 179.01 177.78 1jd1 n SER 12 N -4.17 3.27 -4.77 1.42 3.41 -1.26 -4.91 113.62 106.60 1jd1 n SER 12 Ca -0.02 -2.23 -0.27 0.00 -0.26 0.00 0.00 58.87 56.09 1jd1 n SER 12 Cb 0.35 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.80 1jd1 n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jd1 s ALA 13 N -1.64 3.51 0.78 7.33 0.00 -1.10 -4.61 121.76 126.03 1jd1 s ALA 13 Ca 0.35 -1.22 -0.15 0.00 0.00 0.00 0.00 51.96 50.95 1jd1 s ALA 13 Cb 0.22 -1.31 0.03 0.00 0.00 0.00 0.00 23.12 22.06 1jd1 s ALA 13 CO 0.19 0.53 0.95 -2.30 0.00 0.00 0.00 175.76 175.13 1jd1 n PRO 14 N -0.22 0.27 -2.15 0.00 -0.02 -1.26 -4.86 135.00 126.76 1jd1 n PRO 14 Ca -0.09 0.16 -0.35 0.00 -2.02 0.00 0.00 63.50 61.19 1jd1 n PRO 14 Cb 0.54 -2.23 0.02 0.00 -0.02 0.00 0.00 33.50 31.81 1jd1 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jd1 s ALA 15 N -2.01 2.63 0.26 3.55 0.00 -1.26 -4.94 121.76 120.00 1jd1 s ALA 15 Ca 0.71 0.91 -0.30 0.00 0.00 0.00 0.00 51.96 53.27 1jd1 s ALA 15 Cb -0.31 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.30 1jd1 s ALA 15 CO 0.53 -0.94 1.58 0.00 0.00 0.00 0.00 175.76 176.93 1jd1 s ALA 16 N -1.69 3.75 -0.25 0.00 0.00 -1.26 -4.90 121.76 117.42 1jd1 s ALA 16 Ca 0.75 1.51 0.26 0.00 0.00 0.00 0.00 51.96 54.48 1jd1 s ALA 16 Cb -0.27 -3.63 0.67 0.00 0.00 0.00 0.00 23.12 19.89 1jd1 s ALA 16 CO 0.30 -0.91 1.73 0.00 0.00 0.00 0.00 175.76 176.88 1jd1 h ALA 17 N 5.31 0.99 -2.85 0.00 0.00 -1.93 -3.47 119.26 117.32 1jd1 h ALA 17 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1jd1 h ALA 17 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1jd1 h ALA 17 CO 0.82 0.02 0.00 0.00 0.00 0.00 0.00 179.25 180.09 1jd1 n ALA 18 N -2.10 0.00 -2.60 0.00 0.00 -1.26 -5.06 120.51 109.48 1jd1 n ALA 18 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 1jd1 n ALA 18 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1jd1 n ALA 18 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1jd1 n SER 19 N -1.14 4.94 -3.88 0.00 3.41 -1.26 -4.89 113.62 110.79 1jd1 n SER 19 Ca 0.00 -2.95 -0.10 0.00 -0.26 0.00 0.00 58.87 55.57 1jd1 n SER 19 Cb 0.00 -1.66 -0.09 0.00 -0.26 0.00 0.00 64.21 62.20 1jd1 n SER 19 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1jd1 s TYR 20 N 2.93 0.12 0.32 7.33 -0.85 -1.26 -5.16 117.35 120.78 1jd1 s TYR 20 Ca 0.48 -0.40 -0.09 0.00 -0.52 0.00 0.00 57.07 56.55 1jd1 s TYR 20 Cb 0.03 -0.08 -0.06 0.00 0.38 0.00 0.00 41.96 42.23 1jd1 s TYR 20 CO 0.03 -0.42 0.64 -1.12 -1.52 0.00 0.00 175.55 173.17 1jd1 s SER 21 N -2.18 6.55 0.35 -0.18 0.01 -1.26 -4.85 113.70 112.13 1jd1 s SER 21 Ca -0.04 0.96 0.05 0.00 1.31 0.00 0.00 55.95 58.23 1jd1 s SER 21 Cb -0.00 -2.25 0.70 0.00 0.21 0.00 0.00 66.02 64.68 1jd1 s SER 21 CO -0.05 -0.24 1.96 0.45 0.41 0.00 0.00 173.24 175.78 1jd1 h HIS 22 N 1.80 0.80 -3.25 2.43 -0.00 -1.84 -3.40 115.15 111.70 1jd1 h HIS 22 Ca -0.47 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 59.87 1jd1 h HIS 22 Cb 1.18 -0.26 -0.13 0.00 -0.00 0.00 0.00 27.41 28.20 1jd1 h HIS 22 CO 0.60 0.44 -0.01 0.00 -0.00 0.00 0.00 177.93 178.95 1jd1 s ALA 23 N -5.71 -1.10 -0.09 2.45 0.00 -1.13 -1.33 121.76 114.86 1jd1 s ALA 23 Ca -0.10 0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1jd1 s ALA 23 Cb 0.19 0.69 0.02 0.00 0.00 0.00 0.00 23.12 24.02 1jd1 s ALA 23 CO 0.77 -0.65 -0.06 1.41 0.00 0.00 0.00 175.76 177.24 1jd1 s MET 24 N -3.61 1.25 -0.14 0.00 0.00 0.36 0.00 119.30 117.16 1jd1 s MET 24 Ca 0.01 -0.18 -0.15 0.00 0.00 0.00 0.00 55.69 55.38 1jd1 s MET 24 Cb 0.01 -1.31 -0.05 0.00 0.00 0.00 0.00 34.83 33.48 1jd1 s MET 24 CO -0.11 -0.20 0.35 0.15 0.00 0.00 0.00 175.02 175.21 1jd1 s LYS 25 N 1.49 4.25 -0.40 4.11 1.02 0.23 -0.81 119.74 129.63 1jd1 s LYS 25 Ca -0.00 0.22 0.02 0.00 0.02 0.00 0.00 55.97 56.22 1jd1 s LYS 25 Cb -0.13 -3.41 0.12 0.00 -0.52 0.00 0.00 37.83 33.88 1jd1 s LYS 25 CO -0.04 0.25 0.17 0.54 -0.92 0.00 0.00 175.35 175.34 1jd1 s VAL 26 N 0.41 1.61 0.00 3.17 0.11 0.11 -0.14 120.40 125.67 1jd1 s VAL 26 Ca 0.20 -2.34 0.00 0.00 -2.93 0.00 0.00 61.98 56.91 1jd1 s VAL 26 Cb -0.14 -2.16 0.00 0.00 -1.53 0.00 0.00 36.38 32.55 1jd1 s VAL 26 CO 0.06 -0.77 0.00 0.59 -3.33 0.00 0.00 175.10 171.65 1jd1 n ASN 27 N 3.94 0.00 -0.29 3.54 5.03 -0.69 -1.65 115.26 125.14 1jd1 n ASN 27 Ca 0.04 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.63 1jd1 n ASN 27 Cb 0.37 0.00 0.40 0.00 -1.02 0.00 0.00 39.78 39.53 1jd1 n ASN 27 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1jd1 n ASN 28 N 9.66 1.12 -4.75 6.41 6.94 -1.26 -4.89 115.26 128.49 1jd1 n ASN 28 Ca 0.00 -1.00 -0.36 0.00 -0.02 0.00 0.00 54.58 53.20 1jd1 n ASN 28 Cb 0.00 0.11 -0.08 0.00 -2.36 0.00 0.00 39.78 37.45 1jd1 n ASN 28 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1jd1 s LEU 29 N -2.41 4.00 -0.14 -4.53 1.02 -0.66 -0.76 118.68 115.21 1jd1 s LEU 29 Ca 0.27 0.26 0.02 0.00 0.02 0.00 0.00 54.13 54.70 1jd1 s LEU 29 Cb 0.20 -1.97 0.00 0.00 0.02 0.00 0.00 46.19 44.44 1jd1 s LEU 29 CO 0.49 0.32 -0.21 -0.63 0.02 0.00 0.00 176.35 176.34 1jd1 s ILE 30 N -0.52 2.23 -0.26 -0.59 1.01 1.00 0.04 121.20 124.10 1jd1 s ILE 30 Ca 0.11 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 1jd1 s ILE 30 Cb -0.12 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 1jd1 s ILE 30 CO 0.02 0.54 0.08 -0.36 0.00 0.00 0.00 174.94 175.23 1jd1 s PHE 31 N 0.71 3.10 -0.13 3.97 0.40 0.01 -0.90 117.98 125.14 1jd1 s PHE 31 Ca -0.09 -0.50 -0.07 0.00 -0.60 0.00 0.00 56.93 55.67 1jd1 s PHE 31 Cb -0.16 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.07 1jd1 s PHE 31 CO 0.01 -0.39 0.14 -0.51 0.70 0.00 0.00 175.22 175.16 1jd1 s LEU 32 N 1.60 4.37 0.68 -0.37 1.02 -0.26 -0.49 118.68 125.23 1jd1 s LEU 32 Ca 0.06 0.44 -0.14 0.00 0.02 0.00 0.00 54.13 54.52 1jd1 s LEU 32 Cb -0.16 -2.08 0.01 0.00 0.02 0.00 0.00 46.19 43.99 1jd1 s LEU 32 CO 0.04 0.38 1.09 -0.44 0.02 0.00 0.00 176.35 177.44 1jd1 s SER 33 N -0.85 5.05 0.23 2.29 0.01 -0.44 -3.52 113.70 116.48 1jd1 s SER 33 Ca 0.14 1.90 -0.31 0.00 1.31 0.00 0.00 55.95 58.99 1jd1 s SER 33 Cb -0.12 -2.54 -0.11 0.00 0.21 0.00 0.00 66.02 63.46 1jd1 s SER 33 CO 0.03 -1.67 1.63 -0.83 0.41 0.00 0.00 173.24 172.82 1jd1 s GLY 34 N -2.93 1.65 -0.05 3.44 0.00 -1.26 -4.60 107.32 103.58 1jd1 s GLY 34 Ca 0.64 1.53 0.00 0.00 0.00 0.00 0.00 44.72 46.89 1jd1 s GLY 34 CO 0.46 2.68 -0.01 1.20 0.00 0.00 0.00 173.10 177.43 1jd1 s GLN 35 N 0.49 2.85 0.37 2.90 -1.52 0.83 -4.85 119.66 120.73 1jd1 s GLN 35 Ca 0.69 -0.52 0.08 0.00 -1.95 0.00 0.00 55.36 53.66 1jd1 s GLN 35 Cb -0.48 -2.70 -0.07 0.00 -0.22 0.00 0.00 33.01 29.54 1jd1 s GLN 35 CO 0.38 0.66 -0.05 0.96 -0.25 0.00 0.00 175.29 177.00 1jd1 s ILE 36 N -0.95 2.14 -0.85 1.08 -4.36 -1.26 -1.16 121.20 115.84 1jd1 s ILE 36 Ca 0.16 -2.11 -0.22 0.00 -0.26 0.00 0.00 60.65 58.22 1jd1 s ILE 36 Cb -0.11 -2.81 -0.14 0.00 1.25 0.00 0.00 42.46 40.65 1jd1 s ILE 36 CO 0.05 -0.11 1.93 -2.65 0.24 0.00 0.00 174.94 174.41 1jd1 n PRO 37 N -0.88 1.58 -4.37 0.37 -0.02 -1.26 -4.57 135.00 125.85 1jd1 n PRO 37 Ca -0.05 -1.97 -0.20 0.00 -2.02 0.00 0.00 63.50 59.26 1jd1 n PRO 37 Cb 0.65 -3.04 -0.13 0.00 -0.02 0.00 0.00 33.50 30.96 1jd1 n PRO 37 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jd1 s VAL 38 N 5.73 1.12 0.67 -1.45 1.01 -1.26 -1.42 120.40 124.79 1jd1 s VAL 38 Ca 0.59 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 1jd1 s VAL 38 Cb 0.12 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 1jd1 s VAL 38 CO 0.11 0.02 1.07 0.42 0.00 0.00 0.00 175.10 176.72 1jd1 s THR 39 N -0.83 4.03 0.61 3.92 -4.23 0.11 -4.79 115.64 114.46 1jd1 s THR 39 Ca 0.02 0.66 0.30 0.00 -1.18 0.00 0.00 61.69 61.48 1jd1 s THR 39 Cb -0.08 -3.65 0.36 0.00 1.34 0.00 0.00 72.50 70.47 1jd1 s THR 39 CO 0.01 -0.86 2.03 -0.65 -0.54 0.00 0.00 174.62 174.62 1jd1 h PRO 40 N -0.50 0.00 -0.73 3.99 0.11 -1.89 0.71 132.00 133.69 1jd1 h PRO 40 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1jd1 h PRO 40 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1jd1 h PRO 40 CO 0.63 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.17 1jd1 n ASP 41 N -3.54 3.36 -3.75 -2.05 9.92 -1.26 -4.46 116.55 114.76 1jd1 n ASP 41 Ca 0.02 -2.43 -0.26 0.00 -0.53 0.00 0.00 54.79 51.59 1jd1 n ASP 41 Cb 0.40 -0.56 0.02 0.00 -0.64 0.00 0.00 41.12 40.34 1jd1 n ASP 41 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1jd1 n ASN 42 N 0.38 -2.46 -4.23 -2.24 4.13 0.25 -5.01 115.26 106.07 1jd1 n ASN 42 Ca 0.15 -0.94 -0.29 0.00 1.68 0.00 0.00 54.58 55.18 1jd1 n ASN 42 Cb 0.70 -3.57 -0.16 0.00 -1.54 0.00 0.00 39.78 35.21 1jd1 n ASN 42 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1jd1 s LYS 43 N -6.09 1.99 0.16 3.52 1.02 -1.24 -4.86 119.74 114.24 1jd1 s LYS 43 Ca 0.17 -0.78 -0.31 0.00 0.02 0.00 0.00 55.97 55.07 1jd1 s LYS 43 Cb -0.06 -1.81 -0.09 0.00 -0.52 0.00 0.00 37.83 35.35 1jd1 s LYS 43 CO 0.85 0.41 1.46 -0.51 -0.92 0.00 0.00 175.35 176.64 1jd1 s LEU 44 N -0.31 4.38 0.01 3.17 1.43 -1.26 0.09 118.68 126.19 1jd1 s LEU 44 Ca 0.03 2.50 -0.30 0.00 -1.03 0.00 0.00 54.13 55.33 1jd1 s LEU 44 Cb -0.10 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 1jd1 s LEU 44 CO 0.01 -0.72 1.15 -0.69 0.23 0.00 0.00 176.35 176.33 1jd1 s VAL 45 N 0.87 4.28 0.07 -1.59 1.01 -0.51 -4.88 120.40 119.64 1jd1 s VAL 45 Ca 0.65 1.63 0.04 0.00 0.00 0.00 0.00 61.98 64.30 1jd1 s VAL 45 Cb -0.40 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1jd1 s VAL 45 CO 0.33 0.09 -0.01 -1.83 0.00 0.00 0.00 175.10 173.68 1jd1 s GLU 46 N 1.38 2.58 0.00 2.72 1.03 -1.26 -4.91 118.70 120.23 1jd1 s GLU 46 Ca 0.56 -0.79 0.00 0.00 0.03 0.00 0.00 54.97 54.77 1jd1 s GLU 46 Cb -0.26 -2.55 0.00 0.00 -0.80 0.00 0.00 34.13 30.52 1jd1 s GLU 46 CO 0.27 0.56 0.00 0.41 -1.33 0.00 0.00 175.26 175.17 1jd1 n GLY 47 N 0.81 0.71 3.92 -3.83 0.00 -1.26 -4.92 105.19 100.62 1jd1 n GLY 47 Ca -0.12 -1.62 -0.28 0.00 0.00 0.00 0.00 46.02 44.00 1jd1 n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jd1 s SER 48 N -4.00 4.38 0.22 1.61 1.04 -1.26 -4.89 113.70 110.80 1jd1 s SER 48 Ca 0.00 0.59 -0.06 0.00 0.48 0.00 0.00 55.95 56.96 1jd1 s SER 48 Cb 0.00 -1.05 0.21 0.00 0.10 0.00 0.00 66.02 65.28 1jd1 s SER 48 CO 0.00 -1.95 1.73 0.40 0.98 0.00 0.00 173.24 174.41 1jd1 h ILE 49 N -1.01 1.25 -0.55 -1.02 1.08 -1.98 -1.02 117.51 114.26 1jd1 h ILE 49 Ca -0.45 -0.99 -0.05 0.00 -0.39 0.00 0.00 64.86 62.98 1jd1 h ILE 49 Cb 1.31 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 35.71 1jd1 h ILE 49 CO 0.60 0.37 0.14 0.00 -0.69 0.00 0.00 178.15 178.57 1jd1 h ALA 50 N 1.16 1.23 -0.39 1.87 0.00 -1.93 0.39 119.26 121.58 1jd1 h ALA 50 Ca 0.19 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1jd1 h ALA 50 Cb 0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1jd1 h ALA 50 CO 0.01 0.54 0.09 -0.44 0.00 0.00 0.00 179.25 179.45 1jd1 h ASP 51 N 0.80 0.59 -0.41 0.00 3.32 -1.72 0.00 116.42 119.01 1jd1 h ASP 51 Ca 0.18 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 1jd1 h ASP 51 Cb 0.28 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1jd1 h ASP 51 CO -0.00 0.67 0.02 0.11 -1.72 0.00 0.00 179.24 178.31 1jd1 h LYS 52 N 0.49 0.71 -0.84 3.56 1.57 -0.75 -2.77 116.57 118.54 1jd1 h LYS 52 Ca 0.12 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1jd1 h LYS 52 Cb 0.31 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 1jd1 h LYS 52 CO 0.00 0.79 0.42 0.00 -0.57 0.00 0.00 179.45 180.09 1jd1 h ALA 53 N 0.90 1.08 -0.51 3.86 0.00 -0.10 -2.20 119.26 122.30 1jd1 h ALA 53 Ca 0.12 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1jd1 h ALA 53 Cb 0.46 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1jd1 h ALA 53 CO 0.02 0.63 0.27 1.49 0.00 0.00 0.00 179.25 181.66 1jd1 h GLU 54 N 1.19 0.51 -0.31 0.00 4.57 -0.84 -2.04 114.58 117.67 1jd1 h GLU 54 Ca 0.29 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.33 1jd1 h GLU 54 Cb 0.09 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1jd1 h GLU 54 CO -0.04 0.34 -0.28 0.37 -1.18 0.00 0.00 179.01 178.22 1jd1 h GLN 55 N 0.53 0.64 -0.40 1.92 5.75 -1.20 -1.93 115.11 120.42 1jd1 h GLN 55 Ca 0.22 -0.27 -0.03 0.00 -0.15 0.00 0.00 58.65 58.42 1jd1 h GLN 55 Cb 0.11 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 1jd1 h GLN 55 CO -0.14 0.85 0.13 0.28 -2.65 0.00 0.00 178.83 177.30 1jd1 h VAL 56 N 0.55 1.21 -0.01 2.39 2.07 -0.97 -0.77 116.25 120.72 1jd1 h VAL 56 Ca 0.07 -0.68 -0.11 0.00 0.82 0.00 0.00 66.70 66.81 1jd1 h VAL 56 Cb 0.76 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1jd1 h VAL 56 CO 0.06 0.24 -0.50 0.40 0.02 0.00 0.00 177.57 177.79 1jd1 h ILE 57 N 0.49 1.36 -0.46 4.57 2.04 -1.33 -1.22 117.51 122.96 1jd1 h ILE 57 Ca 0.13 -1.73 -0.09 0.00 1.00 0.00 0.00 64.86 64.18 1jd1 h ILE 57 Cb 0.24 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 1jd1 h ILE 57 CO -0.01 0.50 -0.06 1.56 0.00 0.00 0.00 178.15 180.14 1jd1 h GLN 58 N 0.03 0.86 -0.50 2.37 4.20 -1.08 0.27 115.11 121.26 1jd1 h GLN 58 Ca -0.00 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.39 1jd1 h GLN 58 Cb 0.90 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 1jd1 h GLN 58 CO 0.07 0.93 0.25 -0.91 -0.67 0.00 0.00 178.83 178.49 1jd1 h ASN 59 N 0.70 0.64 -0.58 1.46 2.35 -0.71 -0.23 115.58 119.22 1jd1 h ASN 59 Ca 0.12 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1jd1 h ASN 59 Cb 0.58 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 1jd1 h ASN 59 CO 0.03 0.58 0.28 0.40 -1.65 0.00 0.00 177.43 177.08 1jd1 h ILE 60 N 0.66 1.21 -0.45 2.81 1.08 -0.94 -1.36 117.51 120.52 1jd1 h ILE 60 Ca 0.17 -0.58 0.06 0.00 -0.39 0.00 0.00 64.86 64.12 1jd1 h ILE 60 Cb 0.11 0.52 -0.05 0.00 -3.07 0.00 0.00 36.82 34.32 1jd1 h ILE 60 CO -0.02 0.24 0.16 0.11 -0.69 0.00 0.00 178.15 177.94 1jd1 h LYS 61 N 0.79 0.32 -0.54 2.37 6.56 0.10 0.33 116.57 126.51 1jd1 h LYS 61 Ca 0.20 -0.02 -0.07 0.00 -1.06 0.00 0.00 60.65 59.70 1jd1 h LYS 61 Cb 0.11 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.68 1jd1 h LYS 61 CO -0.03 0.21 0.05 -0.91 -2.06 0.00 0.00 179.45 176.72 1jd1 h ASN 62 N 0.33 0.88 -0.39 0.86 -0.26 -0.81 -1.59 115.58 114.61 1jd1 h ASN 62 Ca 0.21 -0.28 -0.09 0.00 -0.56 0.00 0.00 56.30 55.58 1jd1 h ASN 62 Cb 0.20 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.21 1jd1 h ASN 62 CO -0.21 0.94 -0.07 0.58 -1.06 0.00 0.00 177.43 177.61 1jd1 h VAL 63 N 0.79 1.25 -0.52 2.81 2.07 -0.85 -1.78 116.25 120.04 1jd1 h VAL 63 Ca 0.16 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1jd1 h VAL 63 Cb 0.46 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1jd1 h VAL 63 CO 0.02 0.39 0.31 -0.07 0.02 0.00 0.00 177.57 178.24 1jd1 h LEU 64 N 0.74 0.62 -0.02 2.57 3.38 -0.68 -1.68 115.31 120.25 1jd1 h LEU 64 Ca 0.13 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1jd1 h LEU 64 Cb 0.55 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1jd1 h LEU 64 CO 0.03 0.49 0.01 -0.33 0.09 0.00 0.00 178.44 178.73 1jd1 h GLU 65 N 0.69 0.02 0.00 1.13 5.08 -0.93 0.92 114.58 121.50 1jd1 h GLU 65 Ca 0.19 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1jd1 h GLU 65 Cb -0.02 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1jd1 h GLU 65 CO -0.04 0.04 -0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1jd1 h ALA 66 N 0.98 1.07 -0.44 3.43 0.00 -1.17 -1.01 119.26 122.11 1jd1 h ALA 66 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jd1 h ALA 66 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1jd1 h ALA 66 CO -0.00 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.68 1jd1 n SER 67 N -3.18 2.70 -2.95 0.00 7.64 -0.65 -4.91 113.62 112.27 1jd1 n SER 67 Ca -0.03 -1.95 -0.16 0.00 1.01 0.00 0.00 58.87 57.75 1jd1 n SER 67 Cb 0.09 -0.29 0.07 0.00 -1.01 0.00 0.00 64.21 63.07 1jd1 n SER 67 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1jd1 n ASN 68 N 0.98 -3.46 -0.99 6.43 4.05 -0.38 -4.88 115.26 117.00 1jd1 n ASN 68 Ca 0.18 -0.47 0.00 0.00 0.45 0.00 0.00 54.58 54.74 1jd1 n ASN 68 Cb 0.45 -4.16 0.00 0.00 1.23 0.00 0.00 39.78 37.29 1jd1 n ASN 68 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1jd1 n SER 69 N -2.46 0.00 -3.69 1.20 2.88 0.24 -4.61 113.62 107.19 1jd1 n SER 69 Ca -0.13 -0.99 -0.08 0.00 -1.33 0.00 0.00 58.87 56.33 1jd1 n SER 69 Cb 0.60 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.04 1jd1 n SER 69 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1jd1 s SER 70 N -0.98 -0.36 0.40 -3.46 1.04 -1.26 -3.58 113.70 105.50 1jd1 s SER 70 Ca 0.00 -0.36 0.09 0.00 0.48 0.00 0.00 55.95 56.16 1jd1 s SER 70 Cb 0.00 0.65 0.87 0.00 0.10 0.00 0.00 66.02 67.64 1jd1 s SER 70 CO 0.00 -1.15 1.98 -0.07 0.98 0.00 0.00 173.24 174.98 1jd1 h LEU 71 N 2.00 0.52 0.00 2.42 3.38 -1.94 0.68 115.31 122.37 1jd1 h LEU 71 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1jd1 h LEU 71 Cb 1.27 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1jd1 h LEU 71 CO 0.29 0.33 0.00 0.47 0.09 0.00 0.00 178.44 179.62 1jd1 n ASP 72 N -4.48 0.00 -0.98 -0.43 8.00 -1.26 -2.22 116.55 115.18 1jd1 n ASP 72 Ca 0.09 0.49 0.08 0.00 0.71 0.00 0.00 54.79 56.16 1jd1 n ASP 72 Cb 0.26 -0.49 0.24 0.00 -0.02 0.00 0.00 41.12 41.11 1jd1 n ASP 72 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1jd1 n ARG 73 N -1.49 3.12 -2.44 -1.24 1.74 0.23 -4.98 116.66 111.59 1jd1 n ARG 73 Ca 0.03 -2.53 -0.41 0.00 -0.77 0.00 0.00 57.85 54.17 1jd1 n ARG 73 Cb 0.16 -1.62 -0.03 0.00 -1.02 0.00 0.00 32.46 29.95 1jd1 n ARG 73 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1jd1 s VAL 74 N -1.79 3.89 -0.25 1.55 1.01 -0.94 -1.09 120.40 122.78 1jd1 s VAL 74 Ca 0.37 1.48 -0.15 0.00 0.00 0.00 0.00 61.98 63.68 1jd1 s VAL 74 Cb 0.25 -3.95 -0.15 0.00 0.00 0.00 0.00 36.38 32.53 1jd1 s VAL 74 CO 0.16 0.19 -0.13 0.52 0.00 0.00 0.00 175.10 175.84 1jd1 n VAL 75 N 3.12 1.54 -3.83 2.92 0.31 0.17 -4.54 118.33 118.03 1jd1 n VAL 75 Ca 0.06 -0.29 -0.12 0.00 -0.01 0.00 0.00 64.34 63.97 1jd1 n VAL 75 Cb 0.46 -1.89 -0.13 0.00 -0.91 0.00 0.00 33.84 31.37 1jd1 n VAL 75 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1jd1 s LYS 76 N -2.46 0.17 -0.02 5.55 2.47 -0.95 -1.71 119.74 122.78 1jd1 s LYS 76 Ca -0.35 0.15 0.05 0.00 -1.56 0.00 0.00 55.97 54.27 1jd1 s LYS 76 Cb 0.11 0.08 -0.01 0.00 -1.46 0.00 0.00 37.83 36.55 1jd1 s LYS 76 CO 0.55 -0.02 -0.18 0.08 0.16 0.00 0.00 175.35 175.94 1jd1 s VAL 77 N -0.01 1.40 -0.12 4.02 1.01 -0.08 -0.23 120.40 126.40 1jd1 s VAL 77 Ca -0.01 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1jd1 s VAL 77 Cb -0.01 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1jd1 s VAL 77 CO 0.00 0.40 -0.18 0.20 0.00 0.00 0.00 175.10 175.52 1jd1 s ASN 78 N -0.31 2.73 -0.12 3.32 0.01 -0.77 -1.69 114.94 118.12 1jd1 s ASN 78 Ca 0.04 -0.50 -0.02 0.00 -0.71 0.00 0.00 52.86 51.67 1jd1 s ASN 78 Cb -0.08 -1.24 -0.03 0.00 0.41 0.00 0.00 41.25 40.31 1jd1 s ASN 78 CO -0.00 0.04 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.96 1jd1 s ILE 79 N 0.94 3.91 -0.26 0.60 -1.09 -0.10 -1.72 121.20 123.49 1jd1 s ILE 79 Ca -0.06 -0.37 0.02 0.00 -2.23 0.00 0.00 60.65 58.01 1jd1 s ILE 79 Cb -0.15 -2.67 0.06 0.00 -1.58 0.00 0.00 42.46 38.12 1jd1 s ILE 79 CO -0.02 0.54 -0.08 -0.36 -1.23 0.00 0.00 174.94 173.79 1jd1 s PHE 80 N -0.20 3.00 0.08 3.97 0.40 0.03 -2.05 117.98 123.21 1jd1 s PHE 80 Ca 0.04 -2.17 -0.08 0.00 -0.60 0.00 0.00 56.93 54.12 1jd1 s PHE 80 Cb -0.13 -1.87 -0.05 0.00 0.51 0.00 0.00 43.02 41.48 1jd1 s PHE 80 CO 0.02 -0.85 0.36 -0.51 0.70 0.00 0.00 175.22 174.94 1jd1 s LEU 81 N 1.19 4.33 0.19 -0.37 1.02 0.23 -1.03 118.68 124.24 1jd1 s LEU 81 Ca -0.07 0.67 0.24 0.00 0.02 0.00 0.00 54.13 54.99 1jd1 s LEU 81 Cb -0.20 -2.98 0.36 0.00 0.02 0.00 0.00 46.19 43.40 1jd1 s LEU 81 CO -0.06 0.16 1.39 0.00 0.02 0.00 0.00 176.35 177.86 1jd1 h ALA 82 N 3.56 0.69 -2.54 4.21 0.00 -1.30 0.39 119.26 124.27 1jd1 h ALA 82 Ca -0.48 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.19 1jd1 h ALA 82 Cb 1.19 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.65 1jd1 h ALA 82 CO 0.68 0.00 -0.55 0.34 0.00 0.00 0.00 179.25 179.72 1jd1 s ASP 83 N -4.75 0.69 0.60 0.00 -1.08 -1.26 -4.69 116.67 106.18 1jd1 s ASP 83 Ca 0.06 0.23 0.30 0.00 -0.52 0.00 0.00 52.55 52.62 1jd1 s ASP 83 Cb 0.11 0.68 1.68 0.00 -1.46 0.00 0.00 42.92 43.93 1jd1 s ASP 83 CO 0.71 -0.28 2.08 -0.29 0.52 0.00 0.00 175.17 177.90 1jd1 h ILE 84 N 6.27 0.40 0.00 4.11 6.09 -1.93 -0.61 117.51 131.84 1jd1 h ILE 84 Ca -0.16 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 1jd1 h ILE 84 Cb 1.14 0.81 0.00 0.00 0.47 0.00 0.00 36.82 39.23 1jd1 h ILE 84 CO 0.21 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.88 1jd1 n ASN 85 N -3.68 0.00 -0.56 2.19 3.02 -1.26 -1.71 115.26 113.26 1jd1 n ASN 85 Ca 0.02 0.32 0.14 0.00 -0.03 0.00 0.00 54.58 55.02 1jd1 n ASN 85 Cb 0.35 -0.40 0.44 0.00 -0.61 0.00 0.00 39.78 39.56 1jd1 n ASN 85 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1jd1 n HIS 86 N -1.40 0.00 -0.05 3.10 8.25 -0.24 -4.54 115.22 120.34 1jd1 n HIS 86 Ca 0.04 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.38 1jd1 n HIS 86 Cb 0.12 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.15 1jd1 n HIS 86 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1jd1 h PHE 87 N 2.74 -1.35 -0.44 4.41 3.57 -1.51 -0.36 116.94 124.01 1jd1 h PHE 87 Ca 0.00 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1jd1 h PHE 87 Cb 0.59 0.62 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 1jd1 h PHE 87 CO 0.00 -0.48 0.26 0.00 -2.23 0.00 0.00 178.31 175.86 1jd1 h ALA 88 N 0.10 0.56 -0.66 2.41 0.00 -1.84 -0.01 119.26 119.81 1jd1 h ALA 88 Ca 0.08 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1jd1 h ALA 88 Cb 0.63 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1jd1 h ALA 88 CO -0.47 0.05 0.15 0.93 0.00 0.00 0.00 179.25 179.90 1jd1 h GLU 89 N 0.58 1.07 -0.12 0.00 5.08 -1.83 -2.19 114.58 117.17 1jd1 h GLU 89 Ca 0.16 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1jd1 h GLU 89 Cb -0.00 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1jd1 h GLU 89 CO -0.03 0.96 0.06 0.35 -1.00 0.00 0.00 179.01 179.35 1jd1 h PHE 90 N 0.99 0.17 -0.92 4.33 3.57 -0.68 -2.77 116.94 121.62 1jd1 h PHE 90 Ca 0.21 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.87 1jd1 h PHE 90 Cb 0.38 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 38.99 1jd1 h PHE 90 CO 0.03 0.22 0.59 -0.91 -2.23 0.00 0.00 178.31 176.01 1jd1 h ASN 91 N 0.07 0.61 -0.01 0.41 -0.26 -0.79 0.09 115.58 115.70 1jd1 h ASN 91 Ca 0.04 0.05 -0.00 0.00 -0.56 0.00 0.00 56.30 55.83 1jd1 h ASN 91 Cb 0.11 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.31 1jd1 h ASN 91 CO -0.01 0.27 0.01 -1.28 -1.06 0.00 0.00 177.43 175.36 1jd1 h SER 92 N 0.62 0.01 -0.52 5.81 0.87 -1.10 0.24 113.55 119.49 1jd1 h SER 92 Ca 0.48 -0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.92 1jd1 h SER 92 Cb 0.89 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.83 1jd1 h SER 92 CO -0.23 0.05 0.00 0.58 -0.53 0.00 0.00 176.83 176.70 1jd1 h VAL 93 N -0.02 1.26 -0.79 2.23 2.07 -1.39 -2.86 116.25 116.76 1jd1 h VAL 93 Ca 0.00 -1.09 0.07 0.00 0.82 0.00 0.00 66.70 66.51 1jd1 h VAL 93 Cb 0.04 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 1jd1 h VAL 93 CO -0.00 0.38 0.46 0.22 0.02 0.00 0.00 177.57 178.65 1jd1 h TYR 94 N 0.78 0.84 -0.03 1.57 3.20 -0.64 -1.33 116.97 121.36 1jd1 h TYR 94 Ca 0.15 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 1jd1 h TYR 94 Cb 0.52 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1jd1 h TYR 94 CO 0.04 0.39 -0.22 0.00 -1.64 0.00 0.00 178.16 176.73 1jd1 h ALA 95 N 1.41 1.59 -0.78 1.82 0.00 -0.31 -0.28 119.26 122.70 1jd1 h ALA 95 Ca 0.36 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1jd1 h ALA 95 Cb 0.25 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1jd1 h ALA 95 CO -0.20 0.31 0.51 0.87 0.00 0.00 0.00 179.25 180.73 1jd1 h LYS 96 N 0.04 0.73 0.00 0.00 1.57 -1.05 -1.96 116.57 115.90 1jd1 h LYS 96 Ca 0.01 -0.04 -0.37 0.00 -1.87 0.00 0.00 60.65 58.37 1jd1 h LYS 96 Cb 0.41 -0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.49 1jd1 h LYS 96 CO 0.03 0.48 -2.39 0.66 -0.57 0.00 0.00 179.45 177.67 1jd1 n TYR 97 N -4.50 0.00 -0.49 -1.35 4.02 -0.87 -4.67 117.16 109.31 1jd1 n TYR 97 Ca 0.12 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 58.07 1jd1 n TYR 97 Cb 0.29 -0.99 0.16 0.00 -0.02 0.00 0.00 39.34 38.78 1jd1 n TYR 97 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1jd1 n PHE 98 N -2.80 0.48 0.08 -0.72 3.01 -0.17 -4.59 117.46 112.75 1jd1 n PHE 98 Ca -0.34 -0.67 -0.09 0.00 1.01 0.00 0.00 57.45 57.36 1jd1 n PHE 98 Cb 1.13 -0.13 -0.05 0.00 -0.01 0.00 0.00 39.48 40.42 1jd1 n PHE 98 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 1jd1 h ASN 99 N 1.39 0.17 0.73 4.37 -1.24 -1.55 -3.22 115.58 116.23 1jd1 h ASN 99 Ca 0.00 -0.16 -0.03 0.00 0.71 0.00 0.00 56.30 56.82 1jd1 h ASN 99 Cb 0.94 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.94 1jd1 h ASN 99 CO 0.07 1.03 -0.37 0.74 -1.29 0.00 0.00 177.43 177.60 1jd1 h THR 100 N 0.06 0.00 -3.57 -3.57 2.02 -1.82 -3.38 112.91 102.65 1jd1 h THR 100 Ca -0.04 0.00 -0.65 0.00 0.77 0.00 0.00 66.41 66.48 1jd1 h THR 100 Cb 1.63 0.00 -0.24 0.00 -1.74 0.00 0.00 68.15 67.80 1jd1 h THR 100 CO 0.14 0.00 -0.65 -2.28 0.37 0.00 0.00 175.52 173.09 1jd1 s HIS 101 N -5.24 3.05 -0.80 3.16 5.65 -1.25 -5.06 115.29 114.79 1jd1 s HIS 101 Ca -0.15 -0.58 -0.08 0.00 0.25 0.00 0.00 55.06 54.50 1jd1 s HIS 101 Cb 0.02 -2.20 0.21 0.00 -1.18 0.00 0.00 32.58 29.43 1jd1 s HIS 101 CO 0.45 -0.41 0.70 0.15 -0.65 0.00 0.00 174.74 174.98 1jd1 s LYS 102 N 1.56 3.30 0.97 2.88 1.02 -1.22 -4.57 119.74 123.69 1jd1 s LYS 102 Ca 0.06 -2.69 -0.11 0.00 0.02 0.00 0.00 55.97 53.25 1jd1 s LYS 102 Cb -0.15 -4.15 0.17 0.00 -0.52 0.00 0.00 37.83 33.18 1jd1 s LYS 102 CO 0.02 -1.24 1.09 -2.14 -0.92 0.00 0.00 175.35 172.15 1jd1 s PRO 103 N -0.28 0.61 0.73 -1.68 0.02 -1.26 -4.96 135.00 128.17 1jd1 s PRO 103 Ca 0.20 1.08 -0.14 0.00 0.02 0.00 0.00 61.00 62.17 1jd1 s PRO 103 Cb -0.13 -1.71 0.04 0.00 0.02 0.00 0.00 34.50 32.71 1jd1 s PRO 103 CO -0.07 -2.76 1.14 0.00 -0.33 0.00 0.00 177.00 174.97 1jd1 s ALA 104 N -2.71 2.23 0.05 -1.55 0.00 -0.69 -4.84 121.76 114.25 1jd1 s ALA 104 Ca 0.66 0.59 -0.17 0.00 0.00 0.00 0.00 51.96 53.04 1jd1 s ALA 104 Cb -0.21 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.57 1jd1 s ALA 104 CO 0.59 -1.69 0.38 0.50 0.00 0.00 0.00 175.76 175.55 1jd1 s ARG 105 N -4.26 0.90 0.03 0.00 3.52 -1.26 -0.90 118.95 116.99 1jd1 s ARG 105 Ca 0.68 -0.43 0.02 0.00 -0.13 0.00 0.00 55.73 55.87 1jd1 s ARG 105 Cb -0.22 0.40 -0.02 0.00 -1.56 0.00 0.00 34.95 33.55 1jd1 s ARG 105 CO 0.47 -0.31 -0.07 -1.12 -0.81 0.00 0.00 175.30 173.46 1jd1 s SER 106 N -2.08 0.72 -0.14 -2.12 0.01 -0.68 -4.97 113.70 104.44 1jd1 s SER 106 Ca -0.05 -0.50 -0.07 0.00 1.31 0.00 0.00 55.95 56.64 1jd1 s SER 106 Cb -0.01 0.04 0.06 0.00 0.21 0.00 0.00 66.02 66.32 1jd1 s SER 106 CO -0.03 -0.20 0.33 0.00 0.41 0.00 0.00 173.24 173.74 1jd1 s VAL 108 N 1.61 0.22 -0.17 0.00 -7.23 -0.87 -5.00 120.40 108.95 1jd1 s VAL 108 Ca -0.07 -1.80 -0.05 0.00 -1.81 0.00 0.00 61.98 58.24 1jd1 s VAL 108 Cb -0.10 -1.51 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 1jd1 s VAL 108 CO -0.11 -1.00 0.01 0.00 -0.31 0.00 0.00 175.10 173.70 1jd1 s ALA 109 N -3.91 3.16 0.57 1.32 0.00 -1.26 -0.60 121.76 121.04 1jd1 s ALA 109 Ca 0.07 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.28 1jd1 s ALA 109 Cb 0.08 -1.74 0.07 0.00 0.00 0.00 0.00 23.12 21.53 1jd1 s ALA 109 CO -0.10 0.13 0.60 0.14 0.00 0.00 0.00 175.76 176.54 1jd1 s VAL 110 N 0.48 1.82 0.06 0.00 -7.23 0.14 -4.91 120.40 110.77 1jd1 s VAL 110 Ca -0.00 -1.26 -0.14 0.00 -1.81 0.00 0.00 61.98 58.77 1jd1 s VAL 110 Cb -0.14 -2.08 -0.27 0.00 0.56 0.00 0.00 36.38 34.46 1jd1 s VAL 110 CO 0.02 0.00 1.14 0.00 -0.31 0.00 0.00 175.10 175.94 1jd1 h ALA 111 N 0.44 0.04 -2.77 1.32 0.00 -1.87 -3.42 119.26 113.00 1jd1 h ALA 111 Ca -0.33 -0.75 0.04 0.00 0.00 0.00 0.00 54.91 53.87 1jd1 h ALA 111 Cb 1.30 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 19.07 1jd1 h ALA 111 CO 0.49 0.70 0.30 0.00 0.00 0.00 0.00 179.25 180.74 1jd1 s ALA 112 N -3.09 -1.59 0.16 0.00 0.00 -1.26 -5.00 121.76 110.98 1jd1 s ALA 112 Ca -0.09 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.33 1jd1 s ALA 112 Cb 0.06 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.89 1jd1 s ALA 112 CO 0.93 -0.82 -0.03 -0.51 0.00 0.00 0.00 175.76 175.33 1jd1 s LEU 113 N -2.73 2.27 0.29 0.00 1.43 -1.26 -5.03 118.68 113.64 1jd1 s LEU 113 Ca 0.05 -1.12 -0.29 0.00 -1.03 0.00 0.00 54.13 51.74 1jd1 s LEU 113 Cb -0.02 -0.13 -0.14 0.00 0.03 0.00 0.00 46.19 45.94 1jd1 s LEU 113 CO -0.07 -0.50 1.15 -2.65 0.23 0.00 0.00 176.35 174.50 1jd1 n PRO 114 N -0.21 1.62 -0.99 1.29 -0.02 -1.26 -1.26 135.00 134.17 1jd1 n PRO 114 Ca -0.08 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1jd1 n PRO 114 Cb 0.62 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 1jd1 n PRO 114 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jd1 n LEU 115 N 1.30 0.89 -0.93 2.45 4.77 -1.26 -2.56 117.00 121.66 1jd1 n LEU 115 Ca 0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.97 1jd1 n LEU 115 Cb 0.32 -2.26 -0.02 0.00 -2.33 0.00 0.00 43.42 39.13 1jd1 n LEU 115 CO 0.61 -0.88 -0.11 0.61 -1.33 0.00 0.00 177.39 176.29 1jd1 n GLY 116 N 0.50 0.53 3.77 -0.72 0.00 -0.39 -5.02 105.19 103.86 1jd1 n GLY 116 Ca 0.00 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 1jd1 n GLY 116 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jd1 s VAL 117 N -2.42 3.25 -0.83 1.61 -7.23 -1.06 -4.90 120.40 108.82 1jd1 s VAL 117 Ca 0.00 0.41 0.26 0.00 -1.81 0.00 0.00 61.98 60.84 1jd1 s VAL 117 Cb 0.00 -2.98 0.19 0.00 0.56 0.00 0.00 36.38 34.15 1jd1 s VAL 117 CO 0.00 -0.53 1.68 0.47 -0.31 0.00 0.00 175.10 176.41 1jd1 n ASP 118 N -3.53 0.51 -3.47 4.85 10.43 -1.26 -4.45 116.55 119.63 1jd1 n ASP 118 Ca 0.08 0.35 -0.11 0.00 2.57 0.00 0.00 54.79 57.67 1jd1 n ASP 118 Cb 0.54 -0.37 -0.03 0.00 1.84 0.00 0.00 41.12 43.11 1jd1 n ASP 118 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1jd1 s MET 119 N -3.07 1.07 -0.05 -1.24 0.23 -1.26 -0.97 119.30 114.01 1jd1 s MET 119 Ca 0.11 -0.31 -0.02 0.00 -1.03 0.00 0.00 55.69 54.43 1jd1 s MET 119 Cb 0.15 0.49 0.03 0.00 -1.53 0.00 0.00 34.83 33.97 1jd1 s MET 119 CO 0.62 -0.45 0.11 -2.00 -2.03 0.00 0.00 175.02 171.27 1jd1 s GLU 120 N -3.17 0.07 -0.07 3.16 2.12 -0.20 -4.18 118.70 116.43 1jd1 s GLU 120 Ca 0.01 0.28 0.03 0.00 0.36 0.00 0.00 54.97 55.65 1jd1 s GLU 120 Cb -0.01 -0.13 0.01 0.00 0.26 0.00 0.00 34.13 34.26 1jd1 s GLU 120 CO -0.09 -0.13 -0.14 1.41 -0.54 0.00 0.00 175.26 175.77 1jd1 s MET 121 N 0.86 1.89 0.38 4.30 -2.45 -0.31 -0.79 119.30 123.18 1jd1 s MET 121 Ca -0.07 -0.50 0.07 0.00 -1.25 0.00 0.00 55.69 53.94 1jd1 s MET 121 Cb -0.09 -1.54 -0.07 0.00 1.25 0.00 0.00 34.83 34.38 1jd1 s MET 121 CO -0.04 0.08 -0.00 -1.83 1.05 0.00 0.00 175.02 174.28 1jd1 s GLU 122 N 0.53 1.86 0.19 4.11 -1.05 -0.70 -0.12 118.70 123.52 1jd1 s GLU 122 Ca -0.14 -2.03 -0.23 0.00 -0.15 0.00 0.00 54.97 52.42 1jd1 s GLU 122 Cb -0.15 -1.49 0.05 0.00 -0.44 0.00 0.00 34.13 32.09 1jd1 s GLU 122 CO 0.04 -0.04 0.76 0.00 0.95 0.00 0.00 175.26 176.97 1jd1 s ALA 123 N -2.81 -1.48 -0.04 -0.84 0.00 -1.23 -1.84 121.76 113.52 1jd1 s ALA 123 Ca 0.35 0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.49 1jd1 s ALA 123 Cb 0.08 0.77 -0.00 0.00 0.00 0.00 0.00 23.12 23.97 1jd1 s ALA 123 CO 0.17 -0.93 -0.18 0.42 0.00 0.00 0.00 175.76 175.24 1jd1 s ILE 124 N -3.65 1.47 0.14 0.00 1.01 0.68 -1.11 121.20 119.74 1jd1 s ILE 124 Ca 0.08 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 1jd1 s ILE 124 Cb -0.03 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 1jd1 s ILE 124 CO -0.01 0.42 0.06 0.00 0.00 0.00 0.00 174.94 175.41 1jd1 s ALA 125 N 0.00 0.91 -0.09 9.38 0.00 -0.08 0.43 121.76 132.30 1jd1 s ALA 125 Ca -0.03 -1.49 -0.04 0.00 0.00 0.00 0.00 51.96 50.40 1jd1 s ALA 125 Cb -0.11 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 1jd1 s ALA 125 CO 0.02 -0.48 0.06 0.00 0.00 0.00 0.00 175.76 175.36 1jd1 s ALA 126 N -4.03 3.52 -2.55 0.00 0.00 -0.25 -0.00 121.76 118.45 1jd1 s ALA 126 Ca 0.25 -0.75 0.28 0.00 0.00 0.00 0.00 51.96 51.73 1jd1 s ALA 126 Cb 0.07 -1.66 0.96 0.00 0.00 0.00 0.00 23.12 22.49 1jd1 s ALA 126 CO 0.02 0.61 1.69 -1.91 0.00 0.00 0.00 175.76 176.17