#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jd1 s THR 4 N 0.00 4.13 -0.21 12.58 -4.23 -1.26 -4.96 115.64 121.69 1jd1 s THR 4 Ca 0.00 -0.28 -0.06 0.00 -1.18 0.00 0.00 61.69 60.17 1jd1 s THR 4 Cb 0.00 -2.80 -0.03 0.00 1.34 0.00 0.00 72.50 71.02 1jd1 s THR 4 CO 0.00 0.52 0.03 -0.76 -0.54 0.00 0.00 174.62 173.87 1jd1 s LEU 5 N 0.00 3.36 -0.21 4.79 1.43 -1.26 -1.09 118.68 125.70 1jd1 s LEU 5 Ca 0.02 -0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1jd1 s LEU 5 Cb -0.13 -1.87 0.06 0.00 0.03 0.00 0.00 46.19 44.28 1jd1 s LEU 5 CO 0.02 0.04 -0.03 0.28 0.23 0.00 0.00 176.35 176.89 1jd1 s THR 6 N 1.13 1.18 0.75 5.49 -1.32 0.02 -4.96 115.64 117.94 1jd1 s THR 6 Ca 0.03 -0.92 -0.11 0.00 -1.21 0.00 0.00 61.69 59.48 1jd1 s THR 6 Cb -0.14 -1.49 0.04 0.00 -1.51 0.00 0.00 72.50 69.40 1jd1 s THR 6 CO 0.02 -0.07 1.09 -2.16 -2.21 0.00 0.00 174.62 171.29 1jd1 s PRO 7 N 1.57 2.42 -0.07 7.08 0.04 -1.26 -0.64 135.00 144.14 1jd1 s PRO 7 Ca -0.03 1.16 0.01 0.00 0.04 0.00 0.00 61.00 62.19 1jd1 s PRO 7 Cb -0.18 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.47 1jd1 s PRO 7 CO -0.07 -1.52 -0.09 0.08 0.04 0.00 0.00 177.00 175.44 1jd1 s VAL 8 N -2.85 0.90 -0.05 -0.36 1.01 0.44 -4.87 120.40 114.61 1jd1 s VAL 8 Ca 0.61 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 1jd1 s VAL 8 Cb -0.17 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.37 1jd1 s VAL 8 CO 0.54 0.31 0.03 -0.63 0.00 0.00 0.00 175.10 175.35 1jd1 s ILE 9 N 0.94 0.14 0.01 2.22 1.01 -1.26 -0.80 121.20 123.46 1jd1 s ILE 9 Ca -0.10 0.25 0.06 0.00 0.00 0.00 0.00 60.65 60.87 1jd1 s ILE 9 Cb -0.15 -0.34 -0.02 0.00 0.01 0.00 0.00 42.46 41.97 1jd1 s ILE 9 CO 0.01 0.21 -0.19 0.00 0.00 0.00 0.00 174.94 174.97 1jd1 h GLU 11 N 5.33 0.00 -0.88 0.00 4.57 -1.98 -3.08 114.58 118.54 1jd1 h GLU 11 Ca -0.39 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 57.74 1jd1 h GLU 11 Cb 1.15 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.72 1jd1 h GLU 11 CO 0.46 0.01 0.05 -1.13 -1.18 0.00 0.00 179.01 177.22 1jd1 n SER 12 N -3.11 2.84 -4.18 1.04 3.41 -1.26 -4.76 113.62 107.60 1jd1 n SER 12 Ca 0.00 -2.39 -0.16 0.00 -0.26 0.00 0.00 58.87 56.06 1jd1 n SER 12 Cb 0.28 -0.58 -0.11 0.00 -0.26 0.00 0.00 64.21 63.54 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 -1.54 1.17 0.54 7.33 0.00 -1.16 -4.68 121.76 123.42 1jd1 s ALA 13 Ca 0.20 -1.16 -0.21 0.00 0.00 0.00 0.00 51.96 50.79 1jd1 s ALA 13 Cb 0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 1jd1 s ALA 13 CO 0.05 0.02 1.24 -2.30 0.00 0.00 0.00 175.76 174.77 1jd1 n PRO 14 N 0.72 1.48 -1.87 0.00 -0.02 -1.26 -4.76 135.00 129.28 1jd1 n PRO 14 Ca -0.17 0.55 -0.40 0.00 -2.02 0.00 0.00 63.50 61.46 1jd1 n PRO 14 Cb 0.57 -2.43 0.01 0.00 -0.02 0.00 0.00 33.50 31.63 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 -1.33 3.29 0.27 3.55 0.00 -1.26 -4.90 121.76 121.38 1jd1 s ALA 15 Ca 0.72 1.42 -0.30 0.00 0.00 0.00 0.00 51.96 53.79 1jd1 s ALA 15 Cb -0.43 -3.56 -0.12 0.00 0.00 0.00 0.00 23.12 19.00 1jd1 s ALA 15 CO 0.49 -1.07 1.51 0.00 0.00 0.00 0.00 175.76 176.69 1jd1 n ALA 16 N -0.01 1.94 1.44 0.00 0.00 -1.26 -4.88 120.51 117.73 1jd1 n ALA 16 Ca 0.04 0.39 0.15 0.00 0.00 0.00 0.00 53.44 54.01 1jd1 n ALA 16 Cb 0.42 -2.38 0.72 0.00 0.00 0.00 0.00 19.45 18.20 1jd1 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jd1 n ALA 17 N 1.99 2.59 -3.07 0.00 0.00 -1.26 -4.89 120.51 115.88 1jd1 n ALA 17 Ca 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 1jd1 n ALA 17 Cb 0.35 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1jd1 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jd1 n ALA 18 N -1.17 -0.08 -2.41 0.00 0.00 -1.26 -5.07 120.51 110.51 1jd1 n ALA 18 Ca 0.15 -0.11 -0.41 0.00 0.00 0.00 0.00 53.44 53.07 1jd1 n ALA 18 Cb 0.25 0.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.77 1jd1 n ALA 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jd1 n SER 19 N -1.54 4.53 -3.72 0.00 2.88 -1.26 -4.89 113.62 109.61 1jd1 n SER 19 Ca -0.00 -2.88 -0.12 0.00 -1.33 0.00 0.00 58.87 54.54 1jd1 n SER 19 Cb 0.04 -1.73 -0.07 0.00 -0.75 0.00 0.00 64.21 61.70 1jd1 n SER 19 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1jd1 s TYR 20 N 5.25 -0.16 0.49 0.66 -0.85 -1.26 -5.16 117.35 116.31 1jd1 s TYR 20 Ca 0.56 0.07 -0.05 0.00 -0.52 0.00 0.00 57.07 57.13 1jd1 s TYR 20 Cb 0.04 0.14 -0.03 0.00 0.38 0.00 0.00 41.96 42.49 1jd1 s TYR 20 CO 0.08 -0.52 0.78 -1.12 -1.52 0.00 0.00 175.55 173.25 1jd1 s SER 21 N -2.02 6.13 0.30 -0.18 0.01 -1.26 -4.78 113.70 111.91 1jd1 s SER 21 Ca -0.05 0.82 0.04 0.00 1.31 0.00 0.00 55.95 58.07 1jd1 s SER 21 Cb -0.01 -2.10 0.48 0.00 0.21 0.00 0.00 66.02 64.60 1jd1 s SER 21 CO -0.03 -0.64 1.77 0.45 0.41 0.00 0.00 173.24 175.20 1jd1 h HIS 22 N 0.20 0.49 -3.36 2.43 -0.00 -1.36 -3.42 115.15 110.14 1jd1 h HIS 22 Ca -0.47 -0.09 -0.03 0.00 -0.00 0.00 0.00 60.37 59.78 1jd1 h HIS 22 Cb 1.22 -0.13 -0.11 0.00 -0.00 0.00 0.00 27.41 28.39 1jd1 h HIS 22 CO 0.55 0.63 -0.01 0.00 -0.00 0.00 0.00 177.93 179.10 1jd1 s ALA 23 N -4.58 -0.88 -0.05 2.45 0.00 -1.00 -0.58 121.76 117.11 1jd1 s ALA 23 Ca -0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 51.96 51.66 1jd1 s ALA 23 Cb 0.14 0.83 0.03 0.00 0.00 0.00 0.00 23.12 24.12 1jd1 s ALA 23 CO 0.78 -0.76 0.00 1.41 0.00 0.00 0.00 175.76 177.19 1jd1 s MET 24 N -3.87 0.45 -0.08 0.00 0.00 -0.18 -0.42 119.30 115.20 1jd1 s MET 24 Ca 0.09 0.10 -0.12 0.00 0.00 0.00 0.00 55.69 55.75 1jd1 s MET 24 Cb -0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 34.83 34.05 1jd1 s MET 24 CO -0.04 -0.21 0.29 0.15 0.00 0.00 0.00 175.02 175.21 1jd1 s LYS 25 N 1.51 3.85 -0.27 4.11 1.02 0.19 -1.15 119.74 129.00 1jd1 s LYS 25 Ca -0.03 0.16 0.02 0.00 0.02 0.00 0.00 55.97 56.14 1jd1 s LYS 25 Cb -0.13 -3.26 0.08 0.00 -0.52 0.00 0.00 37.83 33.99 1jd1 s LYS 25 CO -0.03 0.61 -0.01 0.54 -0.92 0.00 0.00 175.35 175.53 1jd1 s VAL 26 N -0.67 1.69 0.00 3.17 0.11 0.40 -0.80 120.40 124.31 1jd1 s VAL 26 Ca 0.19 -1.57 0.00 0.00 -2.93 0.00 0.00 61.98 57.67 1jd1 s VAL 26 Cb -0.14 -2.05 0.00 0.00 -1.53 0.00 0.00 36.38 32.65 1jd1 s VAL 26 CO 0.08 -0.30 0.00 0.59 -3.33 0.00 0.00 175.10 172.14 1jd1 n ASN 27 N 4.57 0.00 -1.16 3.54 5.03 -0.25 -1.29 115.26 125.69 1jd1 n ASN 27 Ca -0.07 0.00 0.11 0.00 0.87 0.00 0.00 54.58 55.49 1jd1 n ASN 27 Cb 0.43 0.00 0.26 0.00 -1.02 0.00 0.00 39.78 39.45 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 7.12 3.41 -4.71 6.41 6.94 -1.26 -4.89 115.26 128.28 1jd1 n ASN 28 Ca 0.00 -1.98 -0.35 0.00 -0.02 0.00 0.00 54.58 52.23 1jd1 n ASN 28 Cb 0.00 -0.33 -0.08 0.00 -2.36 0.00 0.00 39.78 37.01 1jd1 n ASN 28 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1jd1 s LEU 29 N -1.29 4.05 -0.22 -4.53 2.96 -0.41 -0.66 118.68 118.58 1jd1 s LEU 29 Ca 0.41 0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 54.48 1jd1 s LEU 29 Cb 0.23 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 1jd1 s LEU 29 CO 0.31 0.22 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.88 1jd1 s ILE 30 N 0.13 3.35 -0.32 6.68 1.01 0.11 -0.45 121.20 131.70 1jd1 s ILE 30 Ca 0.07 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 60.09 1jd1 s ILE 30 Cb -0.12 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 1jd1 s ILE 30 CO -0.00 0.41 0.20 -0.36 0.00 0.00 0.00 174.94 175.19 1jd1 s PHE 31 N 1.47 3.20 -0.02 3.97 0.40 -0.30 -0.70 117.98 126.01 1jd1 s PHE 31 Ca 0.06 -0.34 -0.14 0.00 -0.60 0.00 0.00 56.93 55.91 1jd1 s PHE 31 Cb -0.14 -2.41 -0.05 0.00 0.51 0.00 0.00 43.02 40.92 1jd1 s PHE 31 CO -0.03 -0.38 0.38 -0.51 0.70 0.00 0.00 175.22 175.37 1jd1 s LEU 32 N 1.68 4.46 0.66 -0.37 1.02 0.76 -1.02 118.68 125.88 1jd1 s LEU 32 Ca 0.06 0.90 -0.14 0.00 0.02 0.00 0.00 54.13 54.96 1jd1 s LEU 32 Cb -0.17 -2.52 0.00 0.00 0.02 0.00 0.00 46.19 43.52 1jd1 s LEU 32 CO 0.09 0.33 1.09 -0.44 0.02 0.00 0.00 176.35 177.43 1jd1 s SER 33 N -1.03 5.20 0.26 2.29 0.01 0.25 -3.58 113.70 117.11 1jd1 s SER 33 Ca 0.23 1.89 -0.31 0.00 1.31 0.00 0.00 55.95 59.07 1jd1 s SER 33 Cb -0.16 -2.54 -0.12 0.00 0.21 0.00 0.00 66.02 63.42 1jd1 s SER 33 CO 0.12 -1.56 1.65 -0.83 0.41 0.00 0.00 173.24 173.03 1jd1 s GLY 34 N -2.88 1.74 -0.06 3.44 0.00 -1.26 -4.61 107.32 103.69 1jd1 s GLY 34 Ca 0.64 1.59 0.02 0.00 0.00 0.00 0.00 44.72 46.97 1jd1 s GLY 34 CO 0.44 2.69 -0.11 1.20 0.00 0.00 0.00 173.10 177.32 1jd1 s GLN 35 N 0.17 2.68 0.37 2.90 -1.52 0.99 -4.88 119.66 120.37 1jd1 s GLN 35 Ca 0.68 -0.63 0.09 0.00 -1.95 0.00 0.00 55.36 53.54 1jd1 s GLN 35 Cb -0.49 -2.49 -0.07 0.00 -0.22 0.00 0.00 33.01 29.75 1jd1 s GLN 35 CO 0.42 0.61 -0.02 0.96 -0.25 0.00 0.00 175.29 177.00 1jd1 s ILE 36 N -0.67 2.26 -1.12 1.08 -4.36 -1.26 -1.25 121.20 115.87 1jd1 s ILE 36 Ca 0.10 -2.06 -0.21 0.00 -0.26 0.00 0.00 60.65 58.22 1jd1 s ILE 36 Cb -0.11 -2.80 -0.06 0.00 1.25 0.00 0.00 42.46 40.73 1jd1 s ILE 36 CO 0.01 -0.13 1.93 -0.81 0.24 0.00 0.00 174.94 176.18 1jd1 n PRO 37 N -0.91 2.04 -4.17 0.37 -0.04 -1.26 -4.58 135.00 126.45 1jd1 n PRO 37 Ca -0.05 -2.47 -0.17 0.00 -0.04 0.00 0.00 63.50 60.78 1jd1 n PRO 37 Cb 0.64 -3.40 -0.15 0.00 -0.04 0.00 0.00 33.50 30.55 1jd1 n PRO 37 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jd1 s VAL 38 N 7.03 0.44 0.83 0.52 1.01 -1.26 -1.47 120.40 127.51 1jd1 s VAL 38 Ca 0.60 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.25 1jd1 s VAL 38 Cb 0.06 -0.39 0.09 0.00 0.00 0.00 0.00 36.38 36.14 1jd1 s VAL 38 CO 0.09 0.14 1.13 0.42 0.00 0.00 0.00 175.10 176.89 1jd1 s THR 39 N 0.03 2.46 0.50 3.92 -4.23 0.10 -4.68 115.64 113.75 1jd1 s THR 39 Ca 0.00 0.15 0.19 0.00 -1.18 0.00 0.00 61.69 60.85 1jd1 s THR 39 Cb -0.04 -3.00 0.34 0.00 1.34 0.00 0.00 72.50 71.13 1jd1 s THR 39 CO -0.00 -0.19 2.05 -0.65 -0.54 0.00 0.00 174.62 175.28 1jd1 h PRO 40 N -1.16 0.10 -0.90 3.99 0.11 -1.86 0.74 132.00 133.02 1jd1 h PRO 40 Ca -0.48 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.47 1jd1 h PRO 40 Cb 1.31 -0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.30 1jd1 h PRO 40 CO 0.63 0.06 0.20 -0.40 -0.21 0.00 0.00 178.00 178.28 1jd1 n ASP 41 N -4.45 3.44 -2.02 -2.05 5.68 -1.26 -4.29 116.55 111.59 1jd1 n ASP 41 Ca 0.05 -2.69 -0.19 0.00 -0.50 0.00 0.00 54.79 51.46 1jd1 n ASP 41 Cb 0.37 -0.64 -0.02 0.00 -1.14 0.00 0.00 41.12 39.68 1jd1 n ASP 41 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1jd1 n ASN 42 N -0.06 -5.44 -4.79 -1.12 3.02 0.25 -5.01 115.26 102.11 1jd1 n ASN 42 Ca 0.24 0.08 -0.37 0.00 -0.03 0.00 0.00 54.58 54.51 1jd1 n ASN 42 Cb 0.96 -4.51 -0.07 0.00 -0.61 0.00 0.00 39.78 35.55 1jd1 n ASN 42 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jd1 s LYS 43 N -4.67 3.97 0.23 3.52 1.02 -1.25 -4.81 119.74 117.75 1jd1 s LYS 43 Ca 0.00 0.06 -0.31 0.00 0.02 0.00 0.00 55.97 55.75 1jd1 s LYS 43 Cb 0.00 -3.32 -0.10 0.00 -0.52 0.00 0.00 37.83 33.88 1jd1 s LYS 43 CO 0.00 0.48 1.53 -0.51 -0.92 0.00 0.00 175.35 175.93 1jd1 s LEU 44 N -0.25 4.37 0.11 3.17 1.02 -1.26 -0.72 118.68 125.11 1jd1 s LEU 44 Ca 0.17 2.74 -0.30 0.00 0.02 0.00 0.00 54.13 56.75 1jd1 s LEU 44 Cb -0.13 -3.62 -0.06 0.00 0.02 0.00 0.00 46.19 42.40 1jd1 s LEU 44 CO 0.05 -0.81 1.11 -0.69 0.02 0.00 0.00 176.35 176.04 1jd1 s VAL 45 N 0.39 4.10 0.00 -1.59 1.01 -0.54 -4.89 120.40 118.87 1jd1 s VAL 45 Ca 0.64 1.65 0.00 0.00 0.00 0.00 0.00 61.98 64.27 1jd1 s VAL 45 Cb -0.44 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1jd1 s VAL 45 CO 0.40 0.21 0.00 -1.84 0.00 0.00 0.00 175.10 173.87 1jd1 n GLU 46 N 3.15 0.00 0.00 2.72 0.00 -1.26 -4.93 120.64 120.32 1jd1 n GLU 46 Ca 0.05 0.29 0.00 0.00 0.00 0.00 0.00 57.16 57.50 1jd1 n GLU 46 Cb 0.47 -0.77 0.00 0.00 0.00 0.00 0.00 31.44 31.14 1jd1 n GLU 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1jd1 n GLY 47 N 2.11 0.00 3.93 -1.84 0.00 -1.26 -4.96 105.19 103.17 1jd1 n GLY 47 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.93 4.14 0.38 1.61 1.04 -1.26 -4.89 113.70 113.79 1jd1 s SER 48 Ca 0.00 0.34 0.07 0.00 0.48 0.00 0.00 55.95 56.84 1jd1 s SER 48 Cb 0.00 -0.72 0.77 0.00 0.10 0.00 0.00 66.02 66.17 1jd1 s SER 48 CO 0.00 -2.06 1.97 0.40 0.98 0.00 0.00 173.24 174.53 1jd1 h ILE 49 N -1.01 1.15 -0.48 -1.02 1.08 -1.96 -1.58 117.51 113.69 1jd1 h ILE 49 Ca -0.44 -0.50 -0.04 0.00 -0.39 0.00 0.00 64.86 63.50 1jd1 h ILE 49 Cb 1.29 0.81 -0.02 0.00 -3.07 0.00 0.00 36.82 35.83 1jd1 h ILE 49 CO 0.51 0.18 0.15 0.00 -0.69 0.00 0.00 178.15 178.30 1jd1 h ALA 50 N 1.65 0.62 -0.72 1.87 0.00 -1.93 0.11 119.26 120.87 1jd1 h ALA 50 Ca 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1jd1 h ALA 50 Cb 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1jd1 h ALA 50 CO -0.01 0.28 0.41 -0.44 0.00 0.00 0.00 179.25 179.49 1jd1 h ASP 51 N 0.63 0.88 -0.06 0.00 3.32 -1.74 -0.43 116.42 119.03 1jd1 h ASP 51 Ca 0.15 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1jd1 h ASP 51 Cb 0.27 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1jd1 h ASP 51 CO -0.00 0.71 0.01 0.11 -1.72 0.00 0.00 179.24 178.35 1jd1 h LYS 52 N 0.98 0.10 -0.71 3.56 1.57 -0.97 -2.31 116.57 118.79 1jd1 h LYS 52 Ca 0.25 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1jd1 h LYS 52 Cb 0.01 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1jd1 h LYS 52 CO -0.04 0.34 0.36 0.00 -0.57 0.00 0.00 179.45 179.53 1jd1 h ALA 53 N 0.76 1.30 -0.62 3.86 0.00 -0.69 -1.29 119.26 122.59 1jd1 h ALA 53 Ca 0.02 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1jd1 h ALA 53 Cb 0.28 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1jd1 h ALA 53 CO 0.00 0.55 0.38 1.49 0.00 0.00 0.00 179.25 181.68 1jd1 h GLU 54 N 0.99 0.73 -0.49 0.00 4.57 -0.94 -0.93 114.58 118.51 1jd1 h GLU 54 Ca 0.25 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.25 1jd1 h GLU 54 Cb 0.07 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 1jd1 h GLU 54 CO -0.04 0.48 -0.21 0.37 -1.18 0.00 0.00 179.01 178.44 1jd1 h GLN 55 N 0.75 1.00 -0.23 1.92 5.75 -0.79 -1.52 115.11 121.99 1jd1 h GLN 55 Ca 0.25 -0.42 0.02 0.00 -0.15 0.00 0.00 58.65 58.35 1jd1 h GLN 55 Cb 0.01 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 1jd1 h GLN 55 CO -0.10 1.10 0.09 0.28 -2.65 0.00 0.00 178.83 177.55 1jd1 h VAL 56 N 0.86 0.95 -0.28 2.39 2.07 -0.75 0.03 116.25 121.52 1jd1 h VAL 56 Ca 0.11 -0.07 -0.13 0.00 0.82 0.00 0.00 66.70 67.44 1jd1 h VAL 56 Cb 0.79 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1jd1 h VAL 56 CO 0.07 0.04 -0.35 0.40 0.02 0.00 0.00 177.57 177.74 1jd1 h ILE 57 N 0.20 1.29 -0.63 4.57 2.04 -1.13 -1.05 117.51 122.80 1jd1 h ILE 57 Ca 0.10 -1.49 -0.00 0.00 1.00 0.00 0.00 64.86 64.46 1jd1 h ILE 57 Cb 0.06 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1jd1 h ILE 57 CO -0.10 0.48 0.38 1.56 0.00 0.00 0.00 178.15 180.47 1jd1 h GLN 58 N 0.52 0.86 -0.24 2.37 1.08 -0.94 0.56 115.11 119.33 1jd1 h GLN 58 Ca 0.05 -0.08 0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1jd1 h GLN 58 Cb 0.85 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 28.08 1jd1 h GLN 58 CO 0.07 0.62 0.09 -0.91 -0.95 0.00 0.00 178.83 177.76 1jd1 h ASN 59 N 0.86 0.12 -0.48 1.46 -0.26 -0.69 0.17 115.58 116.75 1jd1 h ASN 59 Ca 0.23 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.98 1jd1 h ASN 59 Cb -0.01 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.22 1jd1 h ASN 59 CO -0.04 0.10 0.30 0.40 -1.06 0.00 0.00 177.43 177.13 1jd1 h ILE 60 N 0.21 1.15 -0.66 2.81 1.08 -0.62 -1.36 117.51 120.11 1jd1 h ILE 60 Ca 0.10 -0.32 0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1jd1 h ILE 60 Cb 0.06 0.49 -0.04 0.00 -3.07 0.00 0.00 36.82 34.26 1jd1 h ILE 60 CO -0.09 0.15 0.43 0.50 -0.69 0.00 0.00 178.15 178.44 1jd1 h LYS 61 N 0.65 0.84 -0.43 2.37 3.64 0.73 0.29 116.57 124.65 1jd1 h LYS 61 Ca 0.17 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 1jd1 h LYS 61 Cb -0.02 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 1jd1 h LYS 61 CO -0.03 0.56 -0.08 -0.91 -2.27 0.00 0.00 179.45 176.71 1jd1 h ASN 62 N 0.87 0.74 -0.45 4.20 2.35 -0.37 -1.41 115.58 121.51 1jd1 h ASN 62 Ca 0.25 -0.21 -0.14 0.00 -0.55 0.00 0.00 56.30 55.65 1jd1 h ASN 62 Cb -0.06 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1jd1 h ASN 62 CO -0.07 0.86 -0.27 0.58 -1.65 0.00 0.00 177.43 176.87 1jd1 h VAL 63 N 0.69 1.27 -0.67 2.81 2.07 -0.79 -1.88 116.25 119.75 1jd1 h VAL 63 Ca 0.12 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 66.20 1jd1 h VAL 63 Cb 0.55 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1jd1 h VAL 63 CO 0.03 0.49 0.44 -0.07 0.02 0.00 0.00 177.57 178.49 1jd1 h LEU 64 N 0.83 0.78 -0.36 2.57 3.38 -0.63 -1.02 115.31 120.85 1jd1 h LEU 64 Ca 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1jd1 h LEU 64 Cb 0.86 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1jd1 h LEU 64 CO 0.08 0.57 0.20 -0.33 0.09 0.00 0.00 178.44 179.04 1jd1 h GLU 65 N 0.91 0.51 0.00 1.13 4.39 -1.07 0.95 114.58 121.40 1jd1 h GLU 65 Ca 0.25 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.88 1jd1 h GLU 65 Cb -0.10 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.45 1jd1 h GLU 65 CO -0.05 0.42 -0.01 0.00 -1.16 0.00 0.00 179.01 178.20 1jd1 h ALA 66 N 1.06 1.03 -0.13 3.43 0.00 -0.97 -2.04 119.26 121.65 1jd1 h ALA 66 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1jd1 h ALA 66 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1jd1 h ALA 66 CO -0.02 0.02 0.00 0.43 0.00 0.00 0.00 179.25 179.68 1jd1 n SER 67 N -3.15 2.08 -2.55 0.00 7.64 -0.42 -4.94 113.62 112.28 1jd1 n SER 67 Ca -0.01 -1.73 -0.14 0.00 1.01 0.00 0.00 58.87 58.01 1jd1 n SER 67 Cb 0.19 -0.07 0.06 0.00 -1.01 0.00 0.00 64.21 63.37 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 0.60 -3.59 -0.91 6.43 4.05 -0.77 -4.86 115.26 116.22 1jd1 n ASN 68 Ca 0.17 -0.38 0.00 0.00 0.45 0.00 0.00 54.58 54.83 1jd1 n ASN 68 Cb 0.42 -3.48 0.00 0.00 1.23 0.00 0.00 39.78 37.95 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 -1.87 0.00 -3.85 1.20 2.88 0.22 -4.60 113.62 107.60 1jd1 n SER 69 Ca -0.08 -0.91 -0.08 0.00 -1.33 0.00 0.00 58.87 56.48 1jd1 n SER 69 Cb 0.57 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.01 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 -0.81 -0.26 0.35 -3.46 1.04 -1.26 -3.85 113.70 105.45 1jd1 s SER 70 Ca 0.00 -0.61 0.03 0.00 0.48 0.00 0.00 55.95 55.84 1jd1 s SER 70 Cb 0.00 0.70 0.65 0.00 0.10 0.00 0.00 66.02 67.47 1jd1 s SER 70 CO 0.00 -1.30 2.00 -0.07 0.98 0.00 0.00 173.24 174.85 1jd1 h LEU 71 N 2.03 0.70 -1.00 2.42 3.38 -1.95 -0.81 115.31 120.08 1jd1 h LEU 71 Ca -0.21 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1jd1 h LEU 71 Cb 1.25 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1jd1 h LEU 71 CO 0.25 0.52 0.00 0.44 0.09 0.00 0.00 178.44 179.74 1jd1 h ASP 72 N 0.81 0.00 -0.46 -0.43 3.45 -1.95 -2.27 116.42 115.57 1jd1 h ASP 72 Ca 0.22 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.68 1jd1 h ASP 72 Cb -0.06 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.71 1jd1 h ASP 72 CO -0.04 0.00 0.00 0.54 -1.57 0.00 0.00 179.24 178.17 1jd1 n ARG 73 N -2.33 3.66 -2.66 3.56 1.74 -0.31 -4.97 116.66 115.35 1jd1 n ARG 73 Ca 0.01 -2.84 -0.42 0.00 -0.77 0.00 0.00 57.85 53.83 1jd1 n ARG 73 Cb 0.18 -1.90 -0.04 0.00 -1.02 0.00 0.00 32.46 29.69 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 -2.31 4.52 -0.22 1.55 1.01 -0.86 -0.84 120.40 123.26 1jd1 s VAL 74 Ca 0.46 1.94 -0.10 0.00 0.00 0.00 0.00 61.98 64.28 1jd1 s VAL 74 Cb 0.33 -4.24 -0.18 0.00 0.00 0.00 0.00 36.38 32.29 1jd1 s VAL 74 CO 0.16 0.23 -0.03 0.52 0.00 0.00 0.00 175.10 175.98 1jd1 n VAL 75 N 3.32 1.58 -3.78 2.92 0.31 0.81 -4.48 118.33 119.01 1jd1 n VAL 75 Ca 0.05 -0.41 -0.13 0.00 -0.01 0.00 0.00 64.34 63.84 1jd1 n VAL 75 Cb 0.49 -1.77 -0.12 0.00 -0.91 0.00 0.00 33.84 31.54 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 -2.49 0.30 -0.01 5.55 2.47 -0.98 -1.03 119.74 123.55 1jd1 s LYS 76 Ca -0.32 0.38 0.05 0.00 -1.56 0.00 0.00 55.97 54.52 1jd1 s LYS 76 Cb 0.09 0.14 -0.01 0.00 -1.46 0.00 0.00 37.83 36.59 1jd1 s LYS 76 CO 0.61 -0.04 -0.16 0.08 0.16 0.00 0.00 175.35 175.99 1jd1 s VAL 77 N 0.20 1.25 -0.12 4.02 1.01 -0.58 -0.76 120.40 125.43 1jd1 s VAL 77 Ca -0.01 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1jd1 s VAL 77 Cb -0.02 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.33 1jd1 s VAL 77 CO -0.00 0.34 -0.19 0.20 0.00 0.00 0.00 175.10 175.45 1jd1 s ASN 78 N -0.40 2.72 -0.11 3.32 -0.87 -0.75 -1.62 114.94 117.23 1jd1 s ASN 78 Ca 0.06 -0.50 -0.00 0.00 -1.57 0.00 0.00 52.86 50.85 1jd1 s ASN 78 Cb -0.06 -1.24 -0.02 0.00 -0.02 0.00 0.00 41.25 39.90 1jd1 s ASN 78 CO -0.01 0.06 -0.09 -0.63 -2.57 0.00 0.00 177.10 173.87 1jd1 s ILE 79 N 0.83 3.49 -0.17 0.60 -1.09 -0.07 -1.60 121.20 123.19 1jd1 s ILE 79 Ca -0.09 -0.53 0.01 0.00 -2.23 0.00 0.00 60.65 57.81 1jd1 s ILE 79 Cb -0.16 -2.46 0.03 0.00 -1.58 0.00 0.00 42.46 38.29 1jd1 s ILE 79 CO -0.00 0.55 -0.16 -0.36 -1.23 0.00 0.00 174.94 173.74 1jd1 s PHE 80 N -0.12 2.47 0.01 3.97 0.40 0.07 -1.89 117.98 122.88 1jd1 s PHE 80 Ca 0.01 -1.47 0.01 0.00 -0.60 0.00 0.00 56.93 54.87 1jd1 s PHE 80 Cb -0.13 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 1jd1 s PHE 80 CO 0.03 -0.74 0.05 -0.51 0.70 0.00 0.00 175.22 174.75 1jd1 s LEU 81 N 1.39 3.73 0.27 -0.37 1.43 0.21 -1.02 118.68 124.32 1jd1 s LEU 81 Ca 0.04 0.07 0.25 0.00 -1.03 0.00 0.00 54.13 53.45 1jd1 s LEU 81 Cb -0.14 -2.19 0.60 0.00 0.03 0.00 0.00 46.19 44.49 1jd1 s LEU 81 CO -0.11 0.26 1.65 0.00 0.23 0.00 0.00 176.35 178.39 1jd1 h ALA 82 N 4.10 0.94 -2.56 4.21 0.00 -1.20 0.18 119.26 124.93 1jd1 h ALA 82 Ca -0.49 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.26 1jd1 h ALA 82 Cb 1.18 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.67 1jd1 h ALA 82 CO 0.61 0.00 -0.46 0.34 0.00 0.00 0.00 179.25 179.74 1jd1 s ASP 83 N -5.02 0.12 0.62 0.00 3.68 -1.26 -4.70 116.67 110.11 1jd1 s ASP 83 Ca 0.09 0.68 0.32 0.00 2.13 0.00 0.00 52.55 55.77 1jd1 s ASP 83 Cb 0.10 1.02 1.84 0.00 -1.45 0.00 0.00 42.92 44.44 1jd1 s ASP 83 CO 0.64 -0.25 2.15 -0.29 0.13 0.00 0.00 175.17 177.55 1jd1 h ILE 84 N 6.23 0.32 0.00 4.11 6.09 -1.94 -0.76 117.51 131.55 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 1.12 0.87 0.00 0.00 0.47 0.00 0.00 36.82 39.28 1jd1 h ILE 84 CO 0.15 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.82 1jd1 n ASN 85 N -3.54 0.00 -0.49 2.19 3.02 -1.26 -1.92 115.26 113.26 1jd1 n ASN 85 Ca -0.00 0.44 0.13 0.00 -0.03 0.00 0.00 54.58 55.12 1jd1 n ASN 85 Cb 0.25 -0.47 0.48 0.00 -0.61 0.00 0.00 39.78 39.43 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 -1.47 0.08 -0.05 3.10 8.25 -0.29 -4.48 115.22 120.36 1jd1 n HIS 86 Ca 0.04 -0.04 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 1jd1 n HIS 86 Cb 0.15 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.18 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 2.21 -1.51 -0.53 4.41 3.57 -1.57 -1.04 116.94 122.49 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 0.48 0.69 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 1jd1 h PHE 87 CO 0.04 -0.51 0.33 0.00 -2.23 0.00 0.00 178.31 175.94 1jd1 h ALA 88 N -0.06 0.68 -0.80 2.41 0.00 -1.85 0.44 119.26 120.08 1jd1 h ALA 88 Ca 0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1jd1 h ALA 88 Cb 0.64 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1jd1 h ALA 88 CO -0.48 0.16 0.33 0.93 0.00 0.00 0.00 179.25 180.19 1jd1 h GLU 89 N 0.72 1.18 -0.14 0.00 5.08 -1.81 -1.58 114.58 118.03 1jd1 h GLU 89 Ca 0.19 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1jd1 h GLU 89 Cb -0.02 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 1jd1 h GLU 89 CO -0.04 0.94 -0.00 0.35 -1.00 0.00 0.00 179.01 179.27 1jd1 h PHE 90 N 1.16 0.26 -0.88 4.33 3.57 -0.84 -3.08 116.94 121.46 1jd1 h PHE 90 Ca 0.27 -0.05 0.17 0.00 3.53 0.00 0.00 57.97 61.90 1jd1 h PHE 90 Cb 0.19 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.80 1jd1 h PHE 90 CO 0.02 0.47 0.57 -0.91 -2.23 0.00 0.00 178.31 176.23 1jd1 h ASN 91 N -0.02 0.51 -0.21 0.41 2.35 -0.61 -0.60 115.58 117.41 1jd1 h ASN 91 Ca 0.04 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1jd1 h ASN 91 Cb 0.37 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1jd1 h ASN 91 CO 0.01 0.23 0.05 0.28 -1.65 0.00 0.00 177.43 176.35 1jd1 h SER 92 N 0.52 0.33 -0.52 5.81 0.02 -1.20 0.40 113.55 118.90 1jd1 h SER 92 Ca 0.45 -0.23 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 1jd1 h SER 92 Cb 0.95 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1jd1 h SER 92 CO -0.19 0.47 -0.14 0.58 -1.14 0.00 0.00 176.83 176.42 1jd1 h VAL 93 N 0.16 1.27 -0.33 2.27 2.07 -1.41 -2.92 116.25 117.36 1jd1 h VAL 93 Ca 0.07 -1.30 0.03 0.00 0.82 0.00 0.00 66.70 66.32 1jd1 h VAL 93 Cb 0.27 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1jd1 h VAL 93 CO 0.00 0.46 0.12 0.22 0.02 0.00 0.00 177.57 178.39 1jd1 h TYR 94 N 0.90 0.22 0.00 1.57 5.03 -0.92 -2.01 116.97 121.77 1jd1 h TYR 94 Ca 0.13 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.45 1jd1 h TYR 94 Cb 0.71 -0.05 -0.00 0.00 1.55 0.00 0.00 36.73 38.93 1jd1 h TYR 94 CO 0.05 0.10 -0.03 0.00 -1.32 0.00 0.00 178.16 176.96 1jd1 h ALA 95 N 1.20 1.18 -0.46 1.82 0.00 -0.82 -1.28 119.26 120.90 1jd1 h ALA 95 Ca 0.15 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1jd1 h ALA 95 Cb 0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1jd1 h ALA 95 CO -0.14 0.04 -0.14 -0.22 0.00 0.00 0.00 179.25 178.79 1jd1 h LYS 96 N 0.00 0.87 0.00 0.00 3.64 -1.17 -3.28 116.57 116.63 1jd1 h LYS 96 Ca -0.00 -0.32 -0.16 0.00 -1.27 0.00 0.00 60.65 58.90 1jd1 h LYS 96 Cb 0.16 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1jd1 h LYS 96 CO 0.00 0.96 -1.50 0.66 -2.27 0.00 0.00 179.45 177.31 1jd1 n TYR 97 N -4.14 0.84 -3.86 1.91 4.02 -0.72 -4.56 117.16 110.65 1jd1 n TYR 97 Ca 0.01 0.27 -0.30 0.00 -0.01 0.00 0.00 57.90 57.87 1jd1 n TYR 97 Cb 0.40 -1.03 -0.11 0.00 -0.02 0.00 0.00 39.34 38.58 1jd1 n TYR 97 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1jd1 s PHE 98 N -2.98 3.55 0.00 -0.72 0.40 -0.56 -4.89 117.98 112.77 1jd1 s PHE 98 Ca -0.04 -3.23 0.00 0.00 -0.60 0.00 0.00 56.93 53.07 1jd1 s PHE 98 Cb 0.09 -2.85 0.00 0.00 0.51 0.00 0.00 43.02 40.77 1jd1 s PHE 98 CO 0.82 -0.63 0.00 0.27 0.70 0.00 0.00 175.22 176.38 1jd1 n ASN 99 N 2.32 0.00 0.10 1.36 6.94 -1.24 -4.55 115.26 120.21 1jd1 n ASN 99 Ca 0.17 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.70 1jd1 n ASN 99 Cb 0.35 -0.20 0.18 0.00 -2.36 0.00 0.00 39.78 37.75 1jd1 n ASN 99 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1jd1 h THR 100 N 0.00 1.37 -3.57 5.53 1.35 -1.91 -3.40 112.91 112.28 1jd1 h THR 100 Ca 0.00 -1.82 -0.65 0.00 -0.55 0.00 0.00 66.41 63.39 1jd1 h THR 100 Cb 0.00 1.91 -0.24 0.00 -1.73 0.00 0.00 68.15 68.09 1jd1 h THR 100 CO 0.00 0.53 -0.65 -2.28 -0.25 0.00 0.00 175.52 172.87 1jd1 s HIS 101 N -3.88 3.05 -0.41 4.73 5.65 -1.26 -5.06 115.29 118.11 1jd1 s HIS 101 Ca -0.04 -0.58 0.03 0.00 0.25 0.00 0.00 55.06 54.73 1jd1 s HIS 101 Cb 0.13 -2.20 0.11 0.00 -1.18 0.00 0.00 32.58 29.44 1jd1 s HIS 101 CO 0.78 -0.42 0.15 0.15 -0.65 0.00 0.00 174.74 174.75 1jd1 s LYS 102 N 1.57 1.57 1.03 2.88 1.02 -1.26 -4.50 119.74 122.06 1jd1 s LYS 102 Ca 0.06 -2.09 -0.11 0.00 0.02 0.00 0.00 55.97 53.85 1jd1 s LYS 102 Cb -0.15 -3.06 0.20 0.00 -0.52 0.00 0.00 37.83 34.30 1jd1 s LYS 102 CO 0.02 -1.03 1.05 -2.30 -0.92 0.00 0.00 175.35 172.17 1jd1 n PRO 103 N 3.83 -1.30 -1.34 -1.68 -0.02 -1.26 -4.98 135.00 128.25 1jd1 n PRO 103 Ca 0.04 -0.33 -0.31 0.00 -2.02 0.00 0.00 63.50 60.88 1jd1 n PRO 103 Cb 0.38 -2.27 0.08 0.00 -0.02 0.00 0.00 33.50 31.67 1jd1 n PRO 103 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jd1 s ALA 104 N -2.53 2.30 0.03 3.55 0.00 -0.20 -4.88 121.76 120.03 1jd1 s ALA 104 Ca 0.67 0.30 -0.22 0.00 0.00 0.00 0.00 51.96 52.71 1jd1 s ALA 104 Cb -0.24 -3.28 0.05 0.00 0.00 0.00 0.00 23.12 19.65 1jd1 s ALA 104 CO 0.61 -1.68 0.50 0.50 0.00 0.00 0.00 175.76 175.69 1jd1 s ARG 105 N -4.80 0.98 0.05 0.00 3.52 -1.26 -1.52 118.95 115.92 1jd1 s ARG 105 Ca 0.62 -0.21 0.02 0.00 -0.13 0.00 0.00 55.73 56.03 1jd1 s ARG 105 Cb -0.17 0.45 -0.03 0.00 -1.56 0.00 0.00 34.95 33.64 1jd1 s ARG 105 CO 0.54 -0.34 -0.07 -1.12 -0.81 0.00 0.00 175.30 173.50 1jd1 s SER 106 N -1.85 0.84 -0.16 -2.12 0.01 -0.64 -4.98 113.70 104.81 1jd1 s SER 106 Ca -0.07 -0.60 -0.09 0.00 1.31 0.00 0.00 55.95 56.50 1jd1 s SER 106 Cb -0.01 0.05 0.05 0.00 0.21 0.00 0.00 66.02 66.32 1jd1 s SER 106 CO -0.00 -0.24 0.38 0.00 0.41 0.00 0.00 173.24 173.79 1jd1 s VAL 108 N 1.24 0.16 -0.22 0.00 -7.23 -0.79 -5.00 120.40 108.57 1jd1 s VAL 108 Ca -0.08 -1.34 -0.09 0.00 -1.81 0.00 0.00 61.98 58.66 1jd1 s VAL 108 Cb -0.08 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 1jd1 s VAL 108 CO -0.11 -0.74 0.10 0.00 -0.31 0.00 0.00 175.10 174.05 1jd1 s ALA 109 N -3.32 3.43 0.57 1.32 0.00 -1.26 -0.62 121.76 121.89 1jd1 s ALA 109 Ca 0.01 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.16 1jd1 s ALA 109 Cb 0.03 -2.12 0.07 0.00 0.00 0.00 0.00 23.12 21.10 1jd1 s ALA 109 CO -0.08 -0.13 0.63 0.14 0.00 0.00 0.00 175.76 176.33 1jd1 s VAL 110 N 0.94 1.90 0.01 0.00 -7.23 0.65 -4.91 120.40 111.76 1jd1 s VAL 110 Ca 0.05 -1.21 -0.21 0.00 -1.81 0.00 0.00 61.98 58.80 1jd1 s VAL 110 Cb -0.14 -2.11 -0.20 0.00 0.56 0.00 0.00 36.38 34.49 1jd1 s VAL 110 CO 0.03 0.00 1.18 0.00 -0.31 0.00 0.00 175.10 176.00 1jd1 h ALA 111 N 0.41 0.13 -2.69 1.32 0.00 -1.88 -3.42 119.26 113.13 1jd1 h ALA 111 Ca -0.32 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.16 1jd1 h ALA 111 Cb 1.30 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 1jd1 h ALA 111 CO 0.48 0.21 0.32 0.00 0.00 0.00 0.00 179.25 180.26 1jd1 s ALA 112 N -3.60 -1.69 0.22 0.00 0.00 -1.26 -5.00 121.76 110.43 1jd1 s ALA 112 Ca -0.14 0.72 0.06 0.00 0.00 0.00 0.00 51.96 52.60 1jd1 s ALA 112 Cb 0.04 0.67 -0.05 0.00 0.00 0.00 0.00 23.12 23.78 1jd1 s ALA 112 CO 0.78 -0.72 -0.07 -0.51 0.00 0.00 0.00 175.76 175.24 1jd1 s LEU 113 N -2.59 2.42 0.46 0.00 1.43 -1.26 -5.05 118.68 114.08 1jd1 s LEU 113 Ca 0.02 -1.13 -0.23 0.00 -1.03 0.00 0.00 54.13 51.76 1jd1 s LEU 113 Cb -0.01 -0.49 -0.09 0.00 0.03 0.00 0.00 46.19 45.63 1jd1 s LEU 113 CO -0.11 -0.35 1.05 -2.65 0.23 0.00 0.00 176.35 174.52 1jd1 n PRO 114 N -0.42 1.36 -1.30 1.29 -0.02 -1.26 -1.56 135.00 133.10 1jd1 n PRO 114 Ca -0.07 0.49 -0.12 0.00 -2.02 0.00 0.00 63.50 61.79 1jd1 n PRO 114 Cb 0.62 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.92 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 0.20 -0.52 -1.51 2.45 4.77 -1.26 -2.38 117.00 118.75 1jd1 n LEU 115 Ca 0.10 0.29 -0.16 0.00 -0.03 0.00 0.00 56.01 56.21 1jd1 n LEU 115 Cb 0.41 -2.50 -0.04 0.00 -2.33 0.00 0.00 43.42 38.96 1jd1 n LEU 115 CO 0.56 -0.95 -0.18 0.61 -1.33 0.00 0.00 177.39 176.10 1jd1 n GLY 116 N 0.12 0.68 3.77 -0.72 0.00 -0.60 -4.99 105.19 103.45 1jd1 n GLY 116 Ca -0.12 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.69 2.93 -0.40 1.61 -7.23 -1.00 -4.92 120.40 108.70 1jd1 s VAL 117 Ca 0.00 0.30 0.23 0.00 -1.81 0.00 0.00 61.98 60.70 1jd1 s VAL 117 Cb 0.00 -2.95 0.28 0.00 0.56 0.00 0.00 36.38 34.28 1jd1 s VAL 117 CO 0.00 -0.39 1.53 0.44 -0.31 0.00 0.00 175.10 176.36 1jd1 h ASP 118 N -1.25 0.00 -4.96 4.85 3.45 -1.94 -3.41 116.42 113.16 1jd1 h ASP 118 Ca -0.48 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 56.98 1jd1 h ASP 118 Cb 1.27 0.00 -0.12 0.00 -0.56 0.00 0.00 39.33 39.92 1jd1 h ASP 118 CO 0.57 0.02 0.24 0.00 -1.57 0.00 0.00 179.24 178.51 1jd1 s MET 119 N -3.22 1.25 -0.03 3.56 0.23 -1.26 -0.76 119.30 119.07 1jd1 s MET 119 Ca 0.06 -0.48 -0.01 0.00 -1.03 0.00 0.00 55.69 54.23 1jd1 s MET 119 Cb 0.06 0.57 0.02 0.00 -1.53 0.00 0.00 34.83 33.94 1jd1 s MET 119 CO 0.69 -0.55 0.06 -2.00 -2.03 0.00 0.00 175.02 171.19 1jd1 s GLU 120 N -3.69 0.03 -0.05 3.16 2.12 -0.19 -4.21 118.70 115.86 1jd1 s GLU 120 Ca 0.02 0.17 0.03 0.00 0.36 0.00 0.00 54.97 55.55 1jd1 s GLU 120 Cb -0.01 -0.11 0.01 0.00 0.26 0.00 0.00 34.13 34.27 1jd1 s GLU 120 CO -0.12 -0.10 -0.12 1.41 -0.54 0.00 0.00 175.26 175.80 1jd1 s MET 121 N 0.63 1.56 0.31 4.30 -2.45 -0.38 -0.75 119.30 122.52 1jd1 s MET 121 Ca -0.05 -0.42 0.08 0.00 -1.25 0.00 0.00 55.69 54.05 1jd1 s MET 121 Cb -0.07 -1.32 -0.06 0.00 1.25 0.00 0.00 34.83 34.62 1jd1 s MET 121 CO -0.02 0.07 -0.07 -1.83 1.05 0.00 0.00 175.02 174.22 1jd1 s GLU 122 N 0.49 1.69 0.20 4.11 -1.05 -0.63 -0.00 118.70 123.51 1jd1 s GLU 122 Ca -0.11 -1.87 -0.19 0.00 -0.15 0.00 0.00 54.97 52.65 1jd1 s GLU 122 Cb -0.14 -1.42 0.04 0.00 -0.44 0.00 0.00 34.13 32.17 1jd1 s GLU 122 CO 0.03 0.08 0.56 0.00 0.95 0.00 0.00 175.26 176.88 1jd1 s ALA 123 N -2.82 -1.11 -0.05 -0.84 0.00 -1.23 -1.81 121.76 113.89 1jd1 s ALA 123 Ca 0.31 -0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.22 1jd1 s ALA 123 Cb 0.03 0.85 0.01 0.00 0.00 0.00 0.00 23.12 24.02 1jd1 s ALA 123 CO 0.14 -0.82 -0.13 0.42 0.00 0.00 0.00 175.76 175.37 1jd1 s ILE 124 N -3.85 1.15 0.19 0.00 1.01 0.06 -0.17 121.20 119.59 1jd1 s ILE 124 Ca 0.08 -0.52 -0.00 0.00 0.00 0.00 0.00 60.65 60.20 1jd1 s ILE 124 Cb -0.02 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 1jd1 s ILE 124 CO -0.04 0.35 0.09 0.00 0.00 0.00 0.00 174.94 175.34 1jd1 s ALA 125 N 0.44 1.19 -0.12 9.38 0.00 0.12 -0.13 121.76 132.63 1jd1 s ALA 125 Ca -0.10 -1.65 -0.04 0.00 0.00 0.00 0.00 51.96 50.17 1jd1 s ALA 125 Cb -0.14 1.10 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 1jd1 s ALA 125 CO 0.03 -0.51 0.03 0.00 0.00 0.00 0.00 175.76 175.31 1jd1 s ALA 126 N -4.01 3.36 -2.00 0.00 0.00 -0.02 0.05 121.76 119.14 1jd1 s ALA 126 Ca 0.33 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 51.60 1jd1 s ALA 126 Cb 0.07 -1.65 0.51 0.00 0.00 0.00 0.00 23.12 22.05 1jd1 s ALA 126 CO 0.08 0.46 0.96 -1.91 0.00 0.00 0.00 175.76 175.35