#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 3.76 -0.22 12.58 -4.23 -1.26 -4.98 115.64 121.29 1jd1 s THR 4 Ca 0.00 -0.41 -0.06 0.00 -1.18 0.00 0.00 61.69 60.05 1jd1 s THR 4 Cb 0.00 -2.64 -0.02 0.00 1.34 0.00 0.00 72.50 71.18 1jd1 s THR 4 CO 0.00 0.50 0.02 -0.76 -0.54 0.00 0.00 174.62 173.84 1jd1 s LEU 5 N 0.34 3.29 -0.23 4.79 1.43 -1.26 -1.52 118.68 125.52 1jd1 s LEU 5 Ca -0.05 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1jd1 s LEU 5 Cb -0.14 -1.86 0.06 0.00 0.03 0.00 0.00 46.19 44.27 1jd1 s LEU 5 CO 0.03 0.01 -0.07 -0.89 0.23 0.00 0.00 176.35 175.66 1jd1 s THR 6 N 1.34 1.61 0.43 5.49 2.01 0.35 -4.95 115.64 121.92 1jd1 s THR 6 Ca 0.04 -1.20 -0.24 0.00 0.31 0.00 0.00 61.69 60.61 1jd1 s THR 6 Cb -0.15 -1.81 -0.08 0.00 0.01 0.00 0.00 72.50 70.47 1jd1 s THR 6 CO 0.02 -0.02 1.14 -2.84 -0.69 0.00 0.00 174.62 172.23 1jd1 s PRO 7 N 1.37 3.92 -0.14 4.92 0.02 -1.26 -0.75 135.00 143.08 1jd1 s PRO 7 Ca -0.05 1.74 0.01 0.00 0.02 0.00 0.00 61.00 62.72 1jd1 s PRO 7 Cb -0.18 -2.51 -0.00 0.00 0.02 0.00 0.00 34.50 31.83 1jd1 s PRO 7 CO -0.07 -0.41 -0.17 0.08 -0.33 0.00 0.00 177.00 176.11 1jd1 s VAL 8 N -1.53 2.53 -0.29 3.83 1.01 0.29 -4.91 120.40 121.33 1jd1 s VAL 8 Ca 0.61 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 1jd1 s VAL 8 Cb -0.28 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1jd1 s VAL 8 CO 0.34 0.53 0.09 0.27 0.00 0.00 0.00 175.10 176.33 1jd1 s ILE 9 N 0.71 4.09 -0.40 2.22 -0.00 -1.26 -2.53 121.20 124.02 1jd1 s ILE 9 Ca -0.08 -0.58 -0.11 0.00 -0.00 0.00 0.00 60.65 59.88 1jd1 s ILE 9 Cb -0.16 -3.07 0.05 0.00 -0.00 0.00 0.00 42.46 39.28 1jd1 s ILE 9 CO 0.01 0.12 0.25 0.00 -0.00 0.00 0.00 174.94 175.32 1jd1 h GLU 11 N 8.47 0.42 -0.03 0.00 5.08 -1.97 -2.65 114.58 123.90 1jd1 h GLU 11 Ca -0.25 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1jd1 h GLU 11 Cb 1.10 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1jd1 h GLU 11 CO 0.73 0.35 0.00 -1.13 -1.00 0.00 0.00 179.01 177.96 1jd1 n SER 12 N -4.42 0.45 -4.90 1.42 3.41 -1.26 -4.84 113.62 103.49 1jd1 n SER 12 Ca 0.01 -1.33 -0.21 0.00 -0.26 0.00 0.00 58.87 57.09 1jd1 n SER 12 Cb 0.13 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 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 -1.97 3.87 0.66 7.33 0.00 -1.00 -4.47 121.76 126.19 1jd1 s ALA 13 Ca 0.37 -1.47 -0.17 0.00 0.00 0.00 0.00 51.96 50.69 1jd1 s ALA 13 Cb 0.18 -1.42 -0.00 0.00 0.00 0.00 0.00 23.12 21.87 1jd1 s ALA 13 CO 0.29 0.11 1.25 -2.14 0.00 0.00 0.00 175.76 175.27 1jd1 s PRO 14 N -3.99 2.52 0.47 0.00 0.02 -1.26 -4.81 135.00 127.95 1jd1 s PRO 14 Ca 0.38 1.93 -0.24 0.00 0.02 0.00 0.00 61.00 63.08 1jd1 s PRO 14 Cb -0.08 -1.86 -0.07 0.00 0.02 0.00 0.00 34.50 32.51 1jd1 s PRO 14 CO 0.28 -1.59 1.37 0.00 -0.33 0.00 0.00 177.00 176.73 1jd1 s ALA 15 N -1.61 3.13 0.26 -1.55 0.00 -1.26 -4.89 121.76 115.83 1jd1 s ALA 15 Ca 0.79 1.36 -0.31 0.00 0.00 0.00 0.00 51.96 53.80 1jd1 s ALA 15 Cb -0.34 -3.55 -0.13 0.00 0.00 0.00 0.00 23.12 19.10 1jd1 s ALA 15 CO 0.40 -1.14 1.44 0.00 0.00 0.00 0.00 175.76 176.46 1jd1 n ALA 16 N -0.35 1.42 1.14 0.00 0.00 -1.26 -4.88 120.51 116.58 1jd1 n ALA 16 Ca 0.06 0.40 0.14 0.00 0.00 0.00 0.00 53.44 54.04 1jd1 n ALA 16 Cb 0.43 -2.31 0.62 0.00 0.00 0.00 0.00 19.45 18.19 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 1.82 2.52 -3.00 0.00 0.00 -1.26 -4.91 120.51 115.67 1jd1 n ALA 17 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1jd1 n ALA 17 Cb 0.33 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.40 0.00 -2.17 0.00 0.00 -1.26 -5.06 120.51 110.61 1jd1 n ALA 18 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.12 1jd1 n ALA 18 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.31 4.25 -3.84 0.00 2.88 -1.26 -4.87 113.62 109.47 1jd1 n SER 19 Ca 0.00 -2.86 -0.09 0.00 -1.33 0.00 0.00 58.87 54.59 1jd1 n SER 19 Cb 0.00 -1.68 -0.07 0.00 -0.75 0.00 0.00 64.21 61.71 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 4.73 0.11 0.28 0.66 -0.85 -1.26 -5.17 117.35 115.86 1jd1 s TYR 20 Ca 0.54 -0.52 -0.04 0.00 -0.52 0.00 0.00 57.07 56.53 1jd1 s TYR 20 Cb 0.07 -0.03 -0.05 0.00 0.38 0.00 0.00 41.96 42.34 1jd1 s TYR 20 CO 0.04 -0.55 0.53 -1.12 -1.52 0.00 0.00 175.55 172.93 1jd1 s SER 21 N -2.80 6.42 0.38 -0.18 0.01 -1.26 -4.82 113.70 111.44 1jd1 s SER 21 Ca 0.04 0.64 0.05 0.00 1.31 0.00 0.00 55.95 57.99 1jd1 s SER 21 Cb 0.04 -2.11 0.76 0.00 0.21 0.00 0.00 66.02 64.92 1jd1 s SER 21 CO -0.11 -0.19 2.02 0.45 0.41 0.00 0.00 173.24 175.82 1jd1 h HIS 22 N 1.61 0.59 -3.25 2.43 -0.00 -1.89 -3.41 115.15 111.24 1jd1 h HIS 22 Ca -0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 59.86 1jd1 h HIS 22 Cb 1.19 -0.19 -0.11 0.00 -0.00 0.00 0.00 27.41 28.29 1jd1 h HIS 22 CO 0.57 0.40 0.05 0.00 -0.00 0.00 0.00 177.93 178.95 1jd1 s ALA 23 N -5.46 -1.12 -0.05 2.45 0.00 -1.17 -1.56 121.76 114.85 1jd1 s ALA 23 Ca -0.09 0.03 -0.00 0.00 0.00 0.00 0.00 51.96 51.90 1jd1 s ALA 23 Cb 0.17 0.81 0.03 0.00 0.00 0.00 0.00 23.12 24.12 1jd1 s ALA 23 CO 0.74 -0.74 -0.01 1.41 0.00 0.00 0.00 175.76 177.16 1jd1 s MET 24 N -3.82 0.57 -0.18 0.00 0.00 -0.33 -0.54 119.30 115.00 1jd1 s MET 24 Ca 0.05 0.06 -0.10 0.00 0.00 0.00 0.00 55.69 55.70 1jd1 s MET 24 Cb -0.00 -0.82 -0.05 0.00 0.00 0.00 0.00 34.83 33.96 1jd1 s MET 24 CO -0.09 -0.22 0.16 0.15 0.00 0.00 0.00 175.02 175.03 1jd1 s LYS 25 N 1.53 4.08 -0.33 4.11 1.02 0.07 -0.85 119.74 129.38 1jd1 s LYS 25 Ca -0.02 -0.15 0.03 0.00 0.02 0.00 0.00 55.97 55.85 1jd1 s LYS 25 Cb -0.13 -3.38 0.10 0.00 -0.52 0.00 0.00 37.83 33.89 1jd1 s LYS 25 CO -0.03 0.37 0.04 0.54 -0.92 0.00 0.00 175.35 175.35 1jd1 s VAL 26 N 0.14 2.03 0.00 3.17 0.11 0.14 -0.50 120.40 125.48 1jd1 s VAL 26 Ca 0.11 -2.11 0.00 0.00 -2.93 0.00 0.00 61.98 57.05 1jd1 s VAL 26 Cb -0.12 -2.47 0.00 0.00 -1.53 0.00 0.00 36.38 32.27 1jd1 s VAL 26 CO 0.00 -0.55 0.00 0.59 -3.33 0.00 0.00 175.10 171.81 1jd1 n ASN 27 N 4.37 0.00 -0.40 3.54 5.03 -0.57 -1.71 115.26 125.52 1jd1 n ASN 27 Ca 0.01 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.59 1jd1 n ASN 27 Cb 0.42 0.00 0.33 0.00 -1.02 0.00 0.00 39.78 39.51 1jd1 n ASN 27 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1jd1 n ASN 28 N 8.98 1.46 -4.90 6.41 3.02 -1.26 -4.90 115.26 124.07 1jd1 n ASN 28 Ca 0.00 -1.23 -0.32 0.00 -0.03 0.00 0.00 54.58 52.99 1jd1 n ASN 28 Cb 0.00 0.14 -0.05 0.00 -0.61 0.00 0.00 39.78 39.27 1jd1 n ASN 28 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jd1 s LEU 29 N -2.33 4.34 -0.13 3.41 1.43 -0.69 -0.95 118.68 123.76 1jd1 s LEU 29 Ca 0.27 0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 1jd1 s LEU 29 Cb 0.20 -2.91 0.02 0.00 0.03 0.00 0.00 46.19 43.53 1jd1 s LEU 29 CO 0.46 0.18 -0.13 -0.63 0.23 0.00 0.00 176.35 176.46 1jd1 s ILE 30 N -1.46 1.44 -0.26 -0.59 1.01 0.49 -0.69 121.20 121.15 1jd1 s ILE 30 Ca 0.33 -0.57 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 1jd1 s ILE 30 Cb -0.13 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1jd1 s ILE 30 CO 0.23 0.43 0.13 -0.36 0.00 0.00 0.00 174.94 175.37 1jd1 s PHE 31 N 1.33 3.16 -0.10 3.97 0.40 -0.03 -0.86 117.98 125.85 1jd1 s PHE 31 Ca 0.01 -0.13 -0.10 0.00 -0.60 0.00 0.00 56.93 56.10 1jd1 s PHE 31 Cb -0.14 -2.31 -0.05 0.00 0.51 0.00 0.00 43.02 41.04 1jd1 s PHE 31 CO -0.07 -0.24 0.24 -0.51 0.70 0.00 0.00 175.22 175.34 1jd1 s LEU 32 N 1.65 4.38 0.72 -0.37 1.02 0.27 -1.18 118.68 125.17 1jd1 s LEU 32 Ca 0.07 0.60 -0.13 0.00 0.02 0.00 0.00 54.13 54.69 1jd1 s LEU 32 Cb -0.15 -2.26 0.03 0.00 0.02 0.00 0.00 46.19 43.83 1jd1 s LEU 32 CO 0.07 0.33 1.11 -0.44 0.02 0.00 0.00 176.35 177.44 1jd1 s SER 33 N -0.76 4.76 0.13 2.29 0.01 -0.60 -3.59 113.70 115.93 1jd1 s SER 33 Ca 0.17 1.95 -0.31 0.00 1.31 0.00 0.00 55.95 59.07 1jd1 s SER 33 Cb -0.13 -2.54 -0.10 0.00 0.21 0.00 0.00 66.02 63.46 1jd1 s SER 33 CO 0.06 -1.87 1.67 -0.83 0.41 0.00 0.00 173.24 172.68 1jd1 s GLY 34 N -2.90 1.48 -0.03 3.44 0.00 -1.26 -4.58 107.32 103.47 1jd1 s GLY 34 Ca 0.65 1.35 -0.02 0.00 0.00 0.00 0.00 44.72 46.70 1jd1 s GLY 34 CO 0.48 2.86 0.11 1.20 0.00 0.00 0.00 173.10 177.75 1jd1 s GLN 35 N 2.03 3.22 0.38 2.90 -1.52 0.83 -4.83 119.66 122.66 1jd1 s GLN 35 Ca 0.74 -0.39 0.07 0.00 -1.95 0.00 0.00 55.36 53.84 1jd1 s GLN 35 Cb -0.43 -2.97 -0.07 0.00 -0.22 0.00 0.00 33.01 29.32 1jd1 s GLN 35 CO 0.33 0.68 -0.01 0.96 -0.25 0.00 0.00 175.29 176.99 1jd1 s ILE 36 N -1.19 1.94 -1.30 1.08 -4.36 -1.26 -0.65 121.20 115.46 1jd1 s ILE 36 Ca 0.22 -2.05 -0.18 0.00 -0.26 0.00 0.00 60.65 58.38 1jd1 s ILE 36 Cb -0.12 -2.86 0.04 0.00 1.25 0.00 0.00 42.46 40.77 1jd1 s ILE 36 CO 0.13 -0.06 1.83 -0.81 0.24 0.00 0.00 174.94 176.27 1jd1 n PRO 37 N -0.87 2.95 -4.17 0.37 -0.04 -1.26 -4.48 135.00 127.49 1jd1 n PRO 37 Ca -0.05 -3.07 -0.16 0.00 -0.04 0.00 0.00 63.50 60.18 1jd1 n PRO 37 Cb 0.66 -3.48 -0.14 0.00 -0.04 0.00 0.00 33.50 30.50 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 4.83 0.49 0.82 0.52 1.01 -1.26 -1.84 120.40 124.96 1jd1 s VAL 38 Ca 0.55 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 1jd1 s VAL 38 Cb 0.05 -0.45 0.08 0.00 0.00 0.00 0.00 36.38 36.07 1jd1 s VAL 38 CO 0.06 0.03 1.13 0.42 0.00 0.00 0.00 175.10 176.75 1jd1 s THR 39 N -0.39 2.53 0.56 3.92 -4.23 0.52 -4.73 115.64 113.83 1jd1 s THR 39 Ca -0.00 0.17 0.43 0.00 -1.18 0.00 0.00 61.69 61.11 1jd1 s THR 39 Cb -0.04 -3.04 0.43 0.00 1.34 0.00 0.00 72.50 71.20 1jd1 s THR 39 CO -0.00 -0.23 2.30 -0.65 -0.54 0.00 0.00 174.62 175.51 1jd1 h PRO 40 N -1.12 0.00 -0.66 3.99 0.11 -1.87 0.79 132.00 133.24 1jd1 h PRO 40 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jd1 h PRO 40 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 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 -3.04 3.06 -2.25 -2.05 8.00 -1.26 -4.57 116.55 114.44 1jd1 n ASP 41 Ca -0.02 -2.34 -0.19 0.00 0.71 0.00 0.00 54.79 52.94 1jd1 n ASP 41 Cb 0.10 -0.49 -0.02 0.00 -0.02 0.00 0.00 41.12 40.68 1jd1 n ASP 41 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1jd1 n ASN 42 N 0.43 -5.48 -4.77 -2.24 4.13 0.27 -4.99 115.26 102.60 1jd1 n ASN 42 Ca 0.14 0.11 -0.36 0.00 1.68 0.00 0.00 54.58 56.15 1jd1 n ASN 42 Cb 0.62 -4.62 -0.08 0.00 -1.54 0.00 0.00 39.78 34.16 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 -4.78 3.29 -0.04 3.52 3.01 -1.26 -4.84 119.74 118.64 1jd1 s LYS 43 Ca 0.00 -0.27 -0.30 0.00 -1.01 0.00 0.00 55.97 54.39 1jd1 s LYS 43 Cb 0.00 -3.02 -0.04 0.00 -1.01 0.00 0.00 37.83 33.76 1jd1 s LYS 43 CO 0.00 0.70 1.20 -1.17 0.51 0.00 0.00 175.35 176.59 1jd1 s LEU 44 N -0.85 4.29 0.29 3.17 2.96 -1.26 -0.36 118.68 126.93 1jd1 s LEU 44 Ca 0.13 1.84 -0.30 0.00 -0.22 0.00 0.00 54.13 55.58 1jd1 s LEU 44 Cb -0.12 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 42.90 1jd1 s LEU 44 CO 0.03 -0.57 1.58 -0.69 -1.32 0.00 0.00 176.35 175.39 1jd1 s VAL 45 N 2.06 2.11 0.04 1.68 1.01 -0.77 -4.94 120.40 121.59 1jd1 s VAL 45 Ca 0.56 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.70 1jd1 s VAL 45 Cb -0.25 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1jd1 s VAL 45 CO 0.23 0.01 -0.17 -1.83 0.00 0.00 0.00 175.10 173.35 1jd1 s GLU 46 N -0.48 2.12 0.00 2.72 1.03 -1.26 -4.96 118.70 117.87 1jd1 s GLU 46 Ca 0.63 -0.96 0.00 0.00 0.03 0.00 0.00 54.97 54.67 1jd1 s GLU 46 Cb -0.47 -2.22 0.00 0.00 -0.80 0.00 0.00 34.13 30.63 1jd1 s GLU 46 CO 0.47 0.55 0.00 0.41 -1.33 0.00 0.00 175.26 175.36 1jd1 n GLY 47 N 1.53 0.55 3.93 -3.83 0.00 -1.26 -4.94 105.19 101.17 1jd1 n GLY 47 Ca -0.16 -1.58 -0.26 0.00 0.00 0.00 0.00 46.02 44.02 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 4.92 0.25 1.61 1.04 -1.26 -4.93 113.70 111.33 1jd1 s SER 48 Ca 0.00 0.50 -0.05 0.00 0.48 0.00 0.00 55.95 56.88 1jd1 s SER 48 Cb 0.00 -1.20 0.28 0.00 0.10 0.00 0.00 66.02 65.20 1jd1 s SER 48 CO 0.00 -1.53 1.86 0.40 0.98 0.00 0.00 173.24 174.94 1jd1 h ILE 49 N -0.56 1.25 -0.65 -1.02 1.08 -1.99 -1.79 117.51 113.83 1jd1 h ILE 49 Ca -0.45 -0.67 -0.00 0.00 -0.39 0.00 0.00 64.86 63.35 1jd1 h ILE 49 Cb 1.31 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 35.23 1jd1 h ILE 49 CO 0.61 0.29 0.39 0.00 -0.69 0.00 0.00 178.15 178.74 1jd1 h ALA 50 N 1.30 0.83 -0.81 1.87 0.00 -1.93 0.13 119.26 120.65 1jd1 h ALA 50 Ca 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1jd1 h ALA 50 Cb 0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1jd1 h ALA 50 CO -0.04 0.31 0.45 -0.44 0.00 0.00 0.00 179.25 179.53 1jd1 h ASP 51 N 0.88 1.00 -0.22 0.00 3.32 -1.74 0.51 116.42 120.16 1jd1 h ASP 51 Ca 0.23 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 1jd1 h ASP 51 Cb -0.01 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1jd1 h ASP 51 CO -0.04 0.81 -0.06 0.11 -1.72 0.00 0.00 179.24 178.34 1jd1 h LYS 52 N 1.12 0.43 -0.89 3.56 1.57 -0.99 -2.52 116.57 118.86 1jd1 h LYS 52 Ca 0.29 -0.17 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1jd1 h LYS 52 Cb 0.02 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 1jd1 h LYS 52 CO -0.05 0.68 0.57 0.00 -0.57 0.00 0.00 179.45 180.08 1jd1 h ALA 53 N 0.74 1.21 -0.83 3.86 0.00 -0.44 -1.16 119.26 122.65 1jd1 h ALA 53 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jd1 h ALA 53 Cb 0.52 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1jd1 h ALA 53 CO 0.02 0.37 0.51 0.93 0.00 0.00 0.00 179.25 181.08 1jd1 h GLU 54 N 1.07 1.11 -0.32 0.00 4.39 -0.77 -1.44 114.58 118.62 1jd1 h GLU 54 Ca 0.37 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.85 1jd1 h GLU 54 Cb 0.10 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1jd1 h GLU 54 CO -0.15 0.78 -0.35 0.37 -1.16 0.00 0.00 179.01 178.50 1jd1 h GLN 55 N 1.13 0.71 -0.40 2.33 5.75 -0.87 -1.38 115.11 122.38 1jd1 h GLN 55 Ca 0.30 -0.34 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 1jd1 h GLN 55 Cb -0.06 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 1jd1 h GLN 55 CO -0.06 0.95 0.06 0.28 -2.65 0.00 0.00 178.83 177.41 1jd1 h VAL 56 N 0.60 1.24 -0.15 2.39 2.07 -0.99 -0.48 116.25 120.93 1jd1 h VAL 56 Ca 0.06 -0.89 -0.10 0.00 0.82 0.00 0.00 66.70 66.59 1jd1 h VAL 56 Cb 0.88 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1jd1 h VAL 56 CO 0.08 0.30 -0.37 0.40 0.02 0.00 0.00 177.57 178.00 1jd1 h ILE 57 N 0.52 1.30 -0.44 4.57 2.04 -1.19 -0.96 117.51 123.34 1jd1 h ILE 57 Ca 0.12 -1.45 -0.14 0.00 1.00 0.00 0.00 64.86 64.39 1jd1 h ILE 57 Cb 0.38 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1jd1 h ILE 57 CO 0.01 0.44 -0.27 1.56 0.00 0.00 0.00 178.15 179.89 1jd1 h GLN 58 N 0.26 0.95 -0.15 2.37 1.08 -1.03 0.15 115.11 118.75 1jd1 h GLN 58 Ca 0.03 -0.43 -0.00 0.00 -1.45 0.00 0.00 58.65 56.80 1jd1 h GLN 58 Cb 0.78 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.18 1jd1 h GLN 58 CO 0.06 1.10 0.09 -0.91 -0.95 0.00 0.00 178.83 178.22 1jd1 h ASN 59 N 0.81 0.18 -0.96 1.46 2.35 -0.76 0.34 115.58 119.00 1jd1 h ASN 59 Ca 0.09 -0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1jd1 h ASN 59 Cb 0.84 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 39.12 1jd1 h ASN 59 CO 0.07 0.17 0.63 0.40 -1.65 0.00 0.00 177.43 177.06 1jd1 h ILE 60 N 0.16 1.20 -0.57 2.81 1.08 -1.01 -1.21 117.51 119.97 1jd1 h ILE 60 Ca 0.05 -0.43 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 1jd1 h ILE 60 Cb 0.03 -0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 33.60 1jd1 h ILE 60 CO -0.01 0.23 0.36 0.11 -0.69 0.00 0.00 178.15 178.15 1jd1 h LYS 61 N 1.25 0.77 -0.48 2.37 6.56 0.02 0.28 116.57 127.33 1jd1 h LYS 61 Ca 0.37 -0.06 -0.09 0.00 -1.06 0.00 0.00 60.65 59.81 1jd1 h LYS 61 Cb -0.06 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 31.41 1jd1 h LYS 61 CO -0.10 0.53 -0.06 -0.91 -2.06 0.00 0.00 179.45 176.85 1jd1 h ASN 62 N 0.77 0.83 -0.34 0.86 2.35 -0.45 -1.15 115.58 118.45 1jd1 h ASN 62 Ca 0.21 -0.24 -0.14 0.00 -0.55 0.00 0.00 56.30 55.59 1jd1 h ASN 62 Cb -0.05 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 1jd1 h ASN 62 CO -0.04 0.93 -0.29 0.58 -1.65 0.00 0.00 177.43 176.95 1jd1 h VAL 63 N 0.77 1.27 -0.66 2.81 2.07 -0.85 -0.82 116.25 120.84 1jd1 h VAL 63 Ca 0.14 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 1jd1 h VAL 63 Cb 0.56 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1jd1 h VAL 63 CO 0.03 0.49 0.39 -0.07 0.02 0.00 0.00 177.57 178.43 1jd1 h LEU 64 N 0.73 0.80 -0.15 2.57 3.38 -0.61 -0.97 115.31 121.07 1jd1 h LEU 64 Ca 0.08 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jd1 h LEU 64 Cb 0.85 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1jd1 h LEU 64 CO 0.07 0.64 0.07 -0.33 0.09 0.00 0.00 178.44 178.99 1jd1 h GLU 65 N 0.90 0.21 0.00 1.13 5.08 -0.96 0.28 114.58 121.23 1jd1 h GLU 65 Ca 0.24 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1jd1 h GLU 65 Cb -0.01 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1jd1 h GLU 65 CO -0.04 0.25 -0.03 0.00 -1.00 0.00 0.00 179.01 178.19 1jd1 h ALA 66 N 0.95 1.83 -0.29 3.43 0.00 -0.89 -1.96 119.26 122.33 1jd1 h ALA 66 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jd1 h ALA 66 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jd1 h ALA 66 CO -0.01 0.04 0.00 0.43 0.00 0.00 0.00 179.25 179.71 1jd1 n SER 67 N -4.33 1.82 -2.61 0.00 7.64 -0.39 -4.92 113.62 110.84 1jd1 n SER 67 Ca -0.03 -1.89 -0.14 0.00 1.01 0.00 0.00 58.87 57.82 1jd1 n SER 67 Cb 0.12 -0.19 0.06 0.00 -1.01 0.00 0.00 64.21 63.18 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 0.46 -3.62 -0.84 6.43 5.15 -0.74 -4.85 115.26 117.26 1jd1 n ASN 68 Ca 0.14 -0.39 0.00 0.00 -0.60 0.00 0.00 54.58 53.73 1jd1 n ASN 68 Cb 0.31 -3.58 0.00 0.00 -0.53 0.00 0.00 39.78 35.98 1jd1 n ASN 68 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1jd1 n SER 69 N -1.95 0.00 -3.82 1.20 2.88 0.03 -1.28 113.62 110.68 1jd1 n SER 69 Ca -0.09 -0.84 -0.08 0.00 -1.33 0.00 0.00 58.87 56.54 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 -0.67 -0.28 0.32 -3.46 1.04 -1.26 -3.93 113.70 105.46 1jd1 s SER 70 Ca 0.00 -0.57 -0.00 0.00 0.48 0.00 0.00 55.95 55.86 1jd1 s SER 70 Cb 0.00 0.69 0.53 0.00 0.10 0.00 0.00 66.02 67.34 1jd1 s SER 70 CO 0.00 -1.27 1.98 -0.07 0.98 0.00 0.00 173.24 174.86 1jd1 h LEU 71 N 2.04 0.86 0.00 2.42 3.38 -1.95 -1.07 115.31 120.98 1jd1 h LEU 71 Ca -0.22 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1jd1 h LEU 71 Cb 1.26 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1jd1 h LEU 71 CO 0.27 0.62 0.00 -0.90 0.09 0.00 0.00 178.44 178.51 1jd1 n ASP 72 N -4.43 0.00 -0.45 -0.43 5.75 -1.26 -1.77 116.55 113.96 1jd1 n ASP 72 Ca 0.08 -0.72 0.04 0.00 -0.01 0.00 0.00 54.79 54.19 1jd1 n ASP 72 Cb 0.04 0.00 0.12 0.00 -1.03 0.00 0.00 41.12 40.25 1jd1 n ASP 72 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1jd1 n ARG 73 N -0.96 2.84 -2.56 0.11 1.74 -0.41 -5.00 116.66 112.43 1jd1 n ARG 73 Ca 0.15 -1.99 -0.41 0.00 -0.77 0.00 0.00 57.85 54.82 1jd1 n ARG 73 Cb 0.07 -1.26 -0.04 0.00 -1.02 0.00 0.00 32.46 30.21 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 -1.27 4.14 -0.23 1.55 1.01 -0.73 -0.90 120.40 123.97 1jd1 s VAL 74 Ca 0.19 1.72 -0.19 0.00 0.00 0.00 0.00 61.98 63.69 1jd1 s VAL 74 Cb 0.11 -4.10 -0.17 0.00 0.00 0.00 0.00 36.38 32.23 1jd1 s VAL 74 CO 0.10 0.24 0.04 0.52 0.00 0.00 0.00 175.10 175.99 1jd1 n VAL 75 N 2.96 1.53 -3.84 2.92 0.31 0.63 -4.54 118.33 118.30 1jd1 n VAL 75 Ca 0.04 -0.12 -0.12 0.00 -0.01 0.00 0.00 64.34 64.13 1jd1 n VAL 75 Cb 0.47 -2.00 -0.13 0.00 -0.91 0.00 0.00 33.84 31.27 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 -2.41 0.17 -0.03 5.55 2.47 -1.06 -1.38 119.74 123.06 1jd1 s LYS 76 Ca -0.31 0.09 0.04 0.00 -1.56 0.00 0.00 55.97 54.22 1jd1 s LYS 76 Cb 0.08 0.08 -0.01 0.00 -1.46 0.00 0.00 37.83 36.53 1jd1 s LYS 76 CO 0.55 -0.02 -0.15 0.08 0.16 0.00 0.00 175.35 175.97 1jd1 s VAL 77 N -0.11 1.20 -0.11 4.02 1.01 -0.68 -0.96 120.40 124.76 1jd1 s VAL 77 Ca -0.02 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1jd1 s VAL 77 Cb -0.02 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.34 1jd1 s VAL 77 CO 0.00 0.35 -0.23 0.20 0.00 0.00 0.00 175.10 175.42 1jd1 s ASN 78 N -0.11 3.07 -0.10 3.32 -0.87 -0.67 -1.74 114.94 117.84 1jd1 s ASN 78 Ca 0.01 -0.57 -0.00 0.00 -1.57 0.00 0.00 52.86 50.72 1jd1 s ASN 78 Cb -0.08 -1.41 -0.03 0.00 -0.02 0.00 0.00 41.25 39.71 1jd1 s ASN 78 CO 0.01 0.13 -0.08 -0.63 -2.57 0.00 0.00 177.10 173.95 1jd1 s ILE 79 N 0.52 3.54 -0.20 0.60 -1.09 0.05 -1.89 121.20 122.73 1jd1 s ILE 79 Ca -0.15 -0.52 0.01 0.00 -2.23 0.00 0.00 60.65 57.77 1jd1 s ILE 79 Cb -0.17 -2.47 0.04 0.00 -1.58 0.00 0.00 42.46 38.27 1jd1 s ILE 79 CO 0.05 0.56 -0.13 -0.36 -1.23 0.00 0.00 174.94 173.83 1jd1 s PHE 80 N -0.28 2.61 -0.03 3.97 0.40 -0.29 -1.96 117.98 122.39 1jd1 s PHE 80 Ca 0.04 -1.68 -0.02 0.00 -0.60 0.00 0.00 56.93 54.66 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 -0.77 0.09 -0.51 0.70 0.00 0.00 175.22 174.75 1jd1 s LEU 81 N 1.33 3.97 0.33 -0.37 1.43 0.32 -1.16 118.68 124.53 1jd1 s LEU 81 Ca -0.00 0.21 0.25 0.00 -1.03 0.00 0.00 54.13 53.56 1jd1 s LEU 81 Cb -0.16 -2.21 0.58 0.00 0.03 0.00 0.00 46.19 44.44 1jd1 s LEU 81 CO -0.09 0.31 1.70 0.00 0.23 0.00 0.00 176.35 178.49 1jd1 h ALA 82 N 4.36 1.00 -2.90 4.21 0.00 -0.93 0.43 119.26 125.43 1jd1 h ALA 82 Ca -0.50 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.13 1jd1 h ALA 82 Cb 1.19 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 18.63 1jd1 h ALA 82 CO 0.61 0.00 -0.61 0.34 0.00 0.00 0.00 179.25 179.59 1jd1 s ASP 83 N -5.37 0.82 0.62 0.00 -1.08 -1.26 -4.68 116.67 105.72 1jd1 s ASP 83 Ca 0.09 0.26 0.34 0.00 -0.52 0.00 0.00 52.55 52.71 1jd1 s ASP 83 Cb 0.09 0.40 1.96 0.00 -1.46 0.00 0.00 42.92 43.91 1jd1 s ASP 83 CO 0.63 -0.26 2.24 -0.29 0.52 0.00 0.00 175.17 178.00 1jd1 h ILE 84 N 6.33 0.33 0.00 4.11 6.09 -1.93 -1.42 117.51 131.02 1jd1 h ILE 84 Ca -0.14 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.35 1jd1 h ILE 84 Cb 1.12 0.94 0.00 0.00 0.47 0.00 0.00 36.82 39.36 1jd1 h ILE 84 CO 0.17 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.84 1jd1 n ASN 85 N -3.55 0.00 -0.72 2.19 3.02 -1.26 -1.86 115.26 113.07 1jd1 n ASN 85 Ca -0.02 -0.12 0.13 0.00 -0.03 0.00 0.00 54.58 54.54 1jd1 n ASN 85 Cb 0.15 -0.20 0.32 0.00 -0.61 0.00 0.00 39.78 39.44 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 -1.20 0.02 0.03 3.10 8.25 -0.53 -4.53 115.22 120.36 1jd1 n HIS 86 Ca 0.09 -0.01 -0.16 0.00 -0.26 0.00 0.00 57.72 57.38 1jd1 n HIS 86 Cb 0.10 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.11 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 3.50 -1.59 -0.41 4.41 3.57 -1.55 -0.38 116.94 124.50 1jd1 h PHE 87 Ca 0.00 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.60 1jd1 h PHE 87 Cb 0.74 0.70 -0.04 0.00 2.79 0.00 0.00 35.95 40.14 1jd1 h PHE 87 CO 0.01 -0.57 0.17 0.00 -2.23 0.00 0.00 178.31 175.69 1jd1 h ALA 88 N -0.37 0.49 -0.49 2.41 0.00 -1.84 0.14 119.26 119.60 1jd1 h ALA 88 Ca 0.02 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1jd1 h ALA 88 Cb 0.71 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1jd1 h ALA 88 CO -0.39 -0.21 0.16 1.05 0.00 0.00 0.00 179.25 179.87 1jd1 h GLU 89 N 0.35 0.75 -0.13 0.00 -0.00 -1.82 -1.68 114.58 112.06 1jd1 h GLU 89 Ca 0.18 -0.16 -0.00 0.00 -0.00 0.00 0.00 59.36 59.38 1jd1 h GLU 89 Cb 0.13 -0.11 -0.01 0.00 -0.00 0.00 0.00 28.75 28.77 1jd1 h GLU 89 CO -0.16 0.70 0.06 0.35 -0.00 0.00 0.00 179.01 179.97 1jd1 h PHE 90 N 0.65 0.19 -0.90 2.06 3.57 -0.71 -2.79 116.94 119.01 1jd1 h PHE 90 Ca 0.16 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.79 1jd1 h PHE 90 Cb 0.26 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.87 1jd1 h PHE 90 CO 0.01 0.23 0.58 -0.91 -2.23 0.00 0.00 178.31 175.99 1jd1 h ASN 91 N 0.09 0.68 -0.57 0.41 2.35 -0.47 -0.59 115.58 117.49 1jd1 h ASN 91 Ca 0.04 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1jd1 h ASN 91 Cb 0.11 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 1jd1 h ASN 91 CO -0.01 0.35 0.33 -1.28 -1.65 0.00 0.00 177.43 175.17 1jd1 h SER 92 N 0.72 0.69 -0.18 5.81 0.87 -1.03 -0.62 113.55 119.81 1jd1 h SER 92 Ca 0.45 -0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.85 1jd1 h SER 92 Cb 0.69 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1jd1 h SER 92 CO -0.21 0.57 -0.22 0.58 -0.53 0.00 0.00 176.83 177.02 1jd1 h VAL 93 N 0.76 1.34 -0.69 2.23 2.07 -1.29 -3.18 116.25 117.49 1jd1 h VAL 93 Ca 0.20 -1.40 0.14 0.00 0.82 0.00 0.00 66.70 66.46 1jd1 h VAL 93 Cb 0.01 1.83 -0.10 0.00 -1.52 0.00 0.00 31.29 31.52 1jd1 h VAL 93 CO -0.04 0.42 0.17 0.22 0.02 0.00 0.00 177.57 178.37 1jd1 h TYR 94 N 0.12 0.27 -0.01 1.57 3.20 -0.90 -1.22 116.97 120.00 1jd1 h TYR 94 Ca 0.02 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1jd1 h TYR 94 Cb 0.77 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.03 1jd1 h TYR 94 CO 0.09 -0.05 0.01 0.00 -1.64 0.00 0.00 178.16 176.57 1jd1 h ALA 95 N 1.56 1.35 -0.42 1.82 0.00 -1.09 -2.03 119.26 120.45 1jd1 h ALA 95 Ca 0.38 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 1jd1 h ALA 95 Cb 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1jd1 h ALA 95 CO -0.47 -0.02 -0.14 0.87 0.00 0.00 0.00 179.25 179.50 1jd1 h LYS 96 N 0.00 0.83 0.00 0.00 1.57 -1.28 -3.26 116.57 114.43 1jd1 h LYS 96 Ca 0.00 -0.34 -0.08 0.00 -1.87 0.00 0.00 60.65 58.37 1jd1 h LYS 96 Cb 0.03 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1jd1 h LYS 96 CO -0.00 0.97 -0.97 1.88 -0.57 0.00 0.00 179.45 180.76 1jd1 h TYR 97 N 0.65 0.00 -3.09 -1.35 -1.99 -1.48 -3.40 116.97 106.31 1jd1 h TYR 97 Ca 0.10 0.00 -0.62 0.00 2.00 0.00 0.00 58.73 60.21 1jd1 h TYR 97 Cb 0.68 0.00 -0.41 0.00 2.00 0.00 0.00 36.73 39.00 1jd1 h TYR 97 CO 0.05 0.29 -0.62 -0.06 -0.00 0.00 0.00 178.16 177.82 1jd1 s PHE 98 N -3.12 3.25 0.00 4.88 0.40 -0.82 -4.90 117.98 117.67 1jd1 s PHE 98 Ca 0.00 -3.20 0.00 0.00 -0.60 0.00 0.00 56.93 53.13 1jd1 s PHE 98 Cb 0.08 -2.57 0.00 0.00 0.51 0.00 0.00 43.02 41.04 1jd1 s PHE 98 CO 0.78 -0.61 0.00 -1.71 0.70 0.00 0.00 175.22 174.37 1jd1 n ASN 99 N 2.33 0.00 -0.25 1.36 2.85 -1.24 -4.62 115.26 115.69 1jd1 n ASN 99 Ca 0.17 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.57 1jd1 n ASN 99 Cb 0.35 -0.08 0.05 0.00 1.24 0.00 0.00 39.78 41.34 1jd1 n ASN 99 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1jd1 h THR 100 N 0.00 1.26 -3.76 -0.44 2.02 -1.91 -3.39 112.91 106.69 1jd1 h THR 100 Ca 0.00 -0.95 -0.66 0.00 0.77 0.00 0.00 66.41 65.57 1jd1 h THR 100 Cb 0.00 0.53 -0.20 0.00 -1.74 0.00 0.00 68.15 66.74 1jd1 h THR 100 CO 0.00 0.37 -0.54 -2.28 0.37 0.00 0.00 175.52 173.44 1jd1 s HIS 101 N -5.34 3.19 -0.38 3.16 5.65 -1.26 -5.05 115.29 115.26 1jd1 s HIS 101 Ca -0.12 -0.19 0.04 0.00 0.25 0.00 0.00 55.06 55.04 1jd1 s HIS 101 Cb 0.15 -2.37 0.11 0.00 -1.18 0.00 0.00 32.58 29.28 1jd1 s HIS 101 CO 0.84 -0.30 0.10 0.15 -0.65 0.00 0.00 174.74 174.88 1jd1 s LYS 102 N 1.70 1.60 0.91 2.88 1.02 -1.26 -4.49 119.74 122.10 1jd1 s LYS 102 Ca 0.06 -2.01 -0.10 0.00 0.02 0.00 0.00 55.97 53.94 1jd1 s LYS 102 Cb -0.16 -3.25 0.15 0.00 -0.52 0.00 0.00 37.83 34.04 1jd1 s LYS 102 CO 0.09 -0.98 1.14 -2.14 -0.92 0.00 0.00 175.35 172.54 1jd1 s PRO 103 N 0.70 1.03 0.79 -1.68 0.02 -1.26 -4.98 135.00 129.61 1jd1 s PRO 103 Ca 0.12 1.49 -0.11 0.00 0.02 0.00 0.00 61.00 62.53 1jd1 s PRO 103 Cb -0.20 -1.73 0.07 0.00 0.02 0.00 0.00 34.50 32.65 1jd1 s PRO 103 CO -0.06 -2.61 1.10 0.00 -0.33 0.00 0.00 177.00 175.10 1jd1 s ALA 104 N -2.66 2.13 0.07 -1.55 0.00 -0.48 -4.87 121.76 114.41 1jd1 s ALA 104 Ca 0.66 0.35 -0.24 0.00 0.00 0.00 0.00 51.96 52.73 1jd1 s ALA 104 Cb -0.22 -3.31 0.06 0.00 0.00 0.00 0.00 23.12 19.65 1jd1 s ALA 104 CO 0.58 -1.91 0.58 0.50 0.00 0.00 0.00 175.76 175.52 1jd1 s ARG 105 N -4.79 1.14 0.04 0.00 3.52 -1.26 -1.69 118.95 115.91 1jd1 s ARG 105 Ca 0.63 -0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.99 1jd1 s ARG 105 Cb -0.19 0.53 -0.03 0.00 -1.56 0.00 0.00 34.95 33.70 1jd1 s ARG 105 CO 0.55 -0.44 -0.04 -1.12 -0.81 0.00 0.00 175.30 173.44 1jd1 s SER 106 N -2.15 0.52 -0.19 -2.12 0.01 -0.71 -4.97 113.70 104.09 1jd1 s SER 106 Ca -0.04 -0.70 -0.10 0.00 1.31 0.00 0.00 55.95 56.42 1jd1 s SER 106 Cb -0.00 0.12 0.07 0.00 0.21 0.00 0.00 66.02 66.41 1jd1 s SER 106 CO -0.04 -0.38 0.46 0.00 0.41 0.00 0.00 173.24 173.68 1jd1 s VAL 108 N 1.59 0.19 -0.16 0.00 -7.23 -0.83 -4.99 120.40 108.96 1jd1 s VAL 108 Ca -0.09 -1.64 -0.05 0.00 -1.81 0.00 0.00 61.98 58.40 1jd1 s VAL 108 Cb -0.08 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 1jd1 s VAL 108 CO -0.14 -0.85 -0.00 0.00 -0.31 0.00 0.00 175.10 173.79 1jd1 s ALA 109 N -3.91 3.14 0.53 1.32 0.00 -1.26 -0.52 121.76 121.06 1jd1 s ALA 109 Ca 0.08 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.31 1jd1 s ALA 109 Cb 0.07 -1.67 0.04 0.00 0.00 0.00 0.00 23.12 21.56 1jd1 s ALA 109 CO -0.09 0.21 0.48 0.14 0.00 0.00 0.00 175.76 176.50 1jd1 s VAL 110 N 0.33 1.88 0.10 0.00 -7.23 0.15 -4.89 120.40 110.74 1jd1 s VAL 110 Ca -0.02 -1.38 -0.13 0.00 -1.81 0.00 0.00 61.98 58.65 1jd1 s VAL 110 Cb -0.14 -2.26 -0.16 0.00 0.56 0.00 0.00 36.38 34.39 1jd1 s VAL 110 CO 0.02 0.00 1.30 0.00 -0.31 0.00 0.00 175.10 176.11 1jd1 h ALA 111 N 0.68 0.30 -2.38 1.32 0.00 -1.87 -3.42 119.26 113.89 1jd1 h ALA 111 Ca -0.36 -0.59 0.08 0.00 0.00 0.00 0.00 54.91 54.04 1jd1 h ALA 111 Cb 1.29 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.92 1jd1 h ALA 111 CO 0.54 0.66 0.44 0.00 0.00 0.00 0.00 179.25 180.89 1jd1 s ALA 112 N -3.76 -1.79 0.20 0.00 0.00 -1.26 -5.00 121.76 110.15 1jd1 s ALA 112 Ca -0.11 0.95 0.06 0.00 0.00 0.00 0.00 51.96 52.87 1jd1 s ALA 112 Cb 0.08 0.45 -0.05 0.00 0.00 0.00 0.00 23.12 23.61 1jd1 s ALA 112 CO 0.90 -0.68 -0.11 -0.51 0.00 0.00 0.00 175.76 175.35 1jd1 s LEU 113 N -2.45 2.52 0.37 0.00 1.43 -1.26 -5.04 118.68 114.24 1jd1 s LEU 113 Ca 0.04 -1.05 -0.26 0.00 -1.03 0.00 0.00 54.13 51.82 1jd1 s LEU 113 Cb -0.01 -0.56 -0.12 0.00 0.03 0.00 0.00 46.19 45.54 1jd1 s LEU 113 CO -0.09 -0.25 1.08 -2.65 0.23 0.00 0.00 176.35 174.66 1jd1 n PRO 114 N -0.36 1.54 -1.35 1.29 -0.02 -1.26 -1.21 135.00 133.64 1jd1 n PRO 114 Ca -0.08 0.55 -0.12 0.00 -2.02 0.00 0.00 63.50 61.83 1jd1 n PRO 114 Cb 0.61 -2.06 -0.05 0.00 -0.02 0.00 0.00 33.50 31.98 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 0.76 -0.49 -1.79 2.45 4.77 -1.26 -2.74 117.00 118.70 1jd1 n LEU 115 Ca 0.08 0.30 -0.18 0.00 -0.03 0.00 0.00 56.01 56.18 1jd1 n LEU 115 Cb 0.36 -2.62 -0.04 0.00 -2.33 0.00 0.00 43.42 38.80 1jd1 n LEU 115 CO 0.59 -1.01 -0.21 0.61 -1.33 0.00 0.00 177.39 176.04 1jd1 n GLY 116 N 0.02 0.47 3.76 -0.72 0.00 -0.35 -5.00 105.19 103.37 1jd1 n GLY 116 Ca -0.12 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.81 2.04 -0.56 1.61 -7.23 -1.11 -4.91 120.40 107.43 1jd1 s VAL 117 Ca 0.00 0.01 0.24 0.00 -1.81 0.00 0.00 61.98 60.42 1jd1 s VAL 117 Cb 0.00 -2.71 0.02 0.00 0.56 0.00 0.00 36.38 34.25 1jd1 s VAL 117 CO 0.00 -0.02 1.24 0.44 -0.31 0.00 0.00 175.10 176.45 1jd1 h ASP 118 N -1.57 0.00 -5.01 4.85 3.32 -1.94 -3.39 116.42 112.67 1jd1 h ASP 118 Ca -0.51 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.30 1jd1 h ASP 118 Cb 1.33 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.73 1jd1 h ASP 118 CO 0.61 0.10 0.12 0.00 -1.72 0.00 0.00 179.24 178.35 1jd1 s MET 119 N -3.21 1.13 -0.02 3.56 0.23 -1.26 -0.34 119.30 119.39 1jd1 s MET 119 Ca 0.05 -0.25 0.00 0.00 -1.03 0.00 0.00 55.69 54.46 1jd1 s MET 119 Cb 0.13 0.52 0.03 0.00 -1.53 0.00 0.00 34.83 33.97 1jd1 s MET 119 CO 0.74 -0.43 0.03 -2.00 -2.03 0.00 0.00 175.02 171.32 1jd1 s GLU 120 N -2.74 -0.00 -0.11 3.16 2.12 -0.31 -4.17 118.70 116.66 1jd1 s GLU 120 Ca -0.04 0.17 0.02 0.00 0.36 0.00 0.00 54.97 55.48 1jd1 s GLU 120 Cb -0.00 -0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.14 1jd1 s GLU 120 CO -0.04 -0.16 -0.15 1.41 -0.54 0.00 0.00 175.26 175.78 1jd1 s MET 121 N 1.02 2.18 0.38 4.30 -2.45 0.17 -1.14 119.30 123.76 1jd1 s MET 121 Ca -0.09 -0.55 0.08 0.00 -1.25 0.00 0.00 55.69 53.89 1jd1 s MET 121 Cb -0.12 -1.86 -0.06 0.00 1.25 0.00 0.00 34.83 34.03 1jd1 s MET 121 CO -0.03 -0.06 0.02 -1.83 1.05 0.00 0.00 175.02 174.17 1jd1 s GLU 122 N 0.98 2.01 0.23 4.11 -1.05 -0.79 -0.12 118.70 124.07 1jd1 s GLU 122 Ca -0.07 -1.93 -0.22 0.00 -0.15 0.00 0.00 54.97 52.60 1jd1 s GLU 122 Cb -0.15 -1.79 0.04 0.00 -0.44 0.00 0.00 34.13 31.79 1jd1 s GLU 122 CO -0.01 0.03 0.67 0.00 0.95 0.00 0.00 175.26 176.89 1jd1 s ALA 123 N -2.62 -1.39 -0.04 -0.84 0.00 -1.24 -1.68 121.76 113.96 1jd1 s ALA 123 Ca 0.36 0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.40 1jd1 s ALA 123 Cb 0.05 0.86 0.00 0.00 0.00 0.00 0.00 23.12 24.03 1jd1 s ALA 123 CO 0.19 -0.92 -0.14 0.42 0.00 0.00 0.00 175.76 175.31 1jd1 s ILE 124 N -3.84 1.19 0.16 0.00 1.01 -0.14 -0.57 121.20 119.01 1jd1 s ILE 124 Ca 0.07 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.14 1jd1 s ILE 124 Cb -0.04 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 1jd1 s ILE 124 CO -0.02 0.35 0.07 0.00 0.00 0.00 0.00 174.94 175.34 1jd1 s ALA 125 N 0.19 1.03 -0.12 9.38 0.00 -0.04 -0.27 121.76 131.93 1jd1 s ALA 125 Ca -0.05 -1.55 -0.06 0.00 0.00 0.00 0.00 51.96 50.29 1jd1 s ALA 125 Cb -0.11 0.95 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 1jd1 s ALA 125 CO 0.02 -0.49 0.11 0.00 0.00 0.00 0.00 175.76 175.40 1jd1 s ALA 126 N -4.01 3.75 0.60 0.00 0.00 -0.08 -0.38 121.76 121.64 1jd1 s ALA 126 Ca 0.28 -0.68 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 1jd1 s ALA 126 Cb 0.07 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 1jd1 s ALA 126 CO 0.05 0.56 1.04 -2.00 0.00 0.00 0.00 175.76 175.41 1jd1 s GLU 127 N -0.85 3.36 0.00 0.00 2.12 -0.13 -4.63 118.70 118.57 1jd1 s GLU 127 Ca 0.14 1.07 0.13 0.00 0.36 0.00 0.00 54.97 56.67 1jd1 s GLU 127 Cb -0.12 -2.04 0.75 0.00 0.26 0.00 0.00 34.13 32.98 1jd1 s GLU 127 CO 0.03 -0.77 1.18 2.89 -0.54 0.00 0.00 175.26 178.05