#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jd1 s THR 6 N 0.00 2.09 0.66 1.96 2.01 0.75 -4.94 115.64 118.17 1jd1 s THR 6 Ca 0.00 -1.85 -0.17 0.00 0.31 0.00 0.00 61.69 59.98 1jd1 s THR 6 Cb 0.00 -2.35 -0.00 0.00 0.01 0.00 0.00 72.50 70.15 1jd1 s THR 6 CO 0.00 -0.27 1.23 -2.84 -0.69 0.00 0.00 174.62 172.05 1jd1 s PRO 7 N 1.08 2.56 -0.14 4.92 0.02 -1.26 -0.88 135.00 141.30 1jd1 s PRO 7 Ca -0.01 1.87 -0.01 0.00 0.02 0.00 0.00 61.00 62.88 1jd1 s PRO 7 Cb -0.19 -1.87 0.04 0.00 0.02 0.00 0.00 34.50 32.49 1jd1 s PRO 7 CO -0.07 -1.54 -0.05 0.08 -0.33 0.00 0.00 177.00 175.09 1jd1 s VAL 8 N -1.67 0.98 -0.19 3.83 1.01 0.13 -4.87 120.40 119.63 1jd1 s VAL 8 Ca 0.78 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 1jd1 s VAL 8 Cb -0.32 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1jd1 s VAL 8 CO 0.39 0.21 -0.06 -0.63 0.00 0.00 0.00 175.10 175.00 1jd1 s ILE 9 N 1.70 3.39 -0.30 2.22 1.01 -1.26 -1.58 121.20 126.38 1jd1 s ILE 9 Ca 0.03 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 1jd1 s ILE 9 Cb -0.14 -2.50 0.04 0.00 0.01 0.00 0.00 42.46 39.87 1jd1 s ILE 9 CO -0.08 0.46 0.01 0.00 0.00 0.00 0.00 174.94 175.33 1jd1 h GLU 11 N 8.04 0.15 0.00 0.00 9.09 -1.97 0.16 114.58 130.05 1jd1 h GLU 11 Ca -0.24 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.16 1jd1 h GLU 11 Cb 1.07 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 28.14 1jd1 h GLU 11 CO 0.55 0.14 0.00 0.45 0.05 0.00 0.00 179.01 180.20 1jd1 n SER 12 N -4.48 0.00 -4.88 3.06 2.88 -1.26 -4.77 113.62 104.17 1jd1 n SER 12 Ca -0.01 0.38 -0.31 0.00 -1.33 0.00 0.00 58.87 57.59 1jd1 n SER 12 Cb 0.12 -0.45 -0.05 0.00 -0.75 0.00 0.00 64.21 63.08 1jd1 n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jd1 s ALA 13 N -2.90 3.59 0.84 -1.46 0.00 0.04 -4.64 121.76 117.24 1jd1 s ALA 13 Ca 0.12 -0.33 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 1jd1 s ALA 13 Cb 0.13 -2.39 0.10 0.00 0.00 0.00 0.00 23.12 20.96 1jd1 s ALA 13 CO 0.34 0.49 1.18 -2.14 0.00 0.00 0.00 175.76 175.63 1jd1 s PRO 14 N -2.89 1.46 0.30 0.00 0.02 -1.26 -4.91 135.00 127.71 1jd1 s PRO 14 Ca 0.46 1.65 -0.29 0.00 0.02 0.00 0.00 61.00 62.85 1jd1 s PRO 14 Cb -0.11 -1.77 -0.10 0.00 0.02 0.00 0.00 34.50 32.54 1jd1 s PRO 14 CO 0.23 -2.33 1.24 0.00 -0.33 0.00 0.00 177.00 175.81 1jd1 s ALA 15 N -2.36 3.47 0.21 -1.55 0.00 -1.26 -4.93 121.76 115.34 1jd1 s ALA 15 Ca 0.70 1.14 -0.32 0.00 0.00 0.00 0.00 51.96 53.48 1jd1 s ALA 15 Cb -0.26 -3.43 -0.13 0.00 0.00 0.00 0.00 23.12 19.30 1jd1 s ALA 15 CO 0.53 -0.48 1.54 0.00 0.00 0.00 0.00 175.76 177.35 1jd1 n ALA 16 N 1.08 1.63 0.81 0.00 0.00 -1.26 -4.85 120.51 117.91 1jd1 n ALA 16 Ca 0.00 0.42 0.11 0.00 0.00 0.00 0.00 53.44 53.97 1jd1 n ALA 16 Cb 0.43 -2.36 0.49 0.00 0.00 0.00 0.00 19.45 18.01 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 2.76 2.05 -3.27 0.00 0.00 -1.26 -4.87 120.51 115.93 1jd1 n ALA 17 Ca 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 53.44 53.48 1jd1 n ALA 17 Cb 0.32 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.48 -0.37 -2.07 0.00 0.00 -1.26 -5.07 120.51 110.26 1jd1 n ALA 18 Ca 0.06 -0.42 -0.36 0.00 0.00 0.00 0.00 53.44 52.72 1jd1 n ALA 18 Cb 0.26 0.34 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.46 3.63 -3.73 0.00 2.88 -1.26 -4.87 113.62 108.81 1jd1 n SER 19 Ca -0.02 -2.78 -0.12 0.00 -1.33 0.00 0.00 58.87 54.63 1jd1 n SER 19 Cb 0.18 -1.65 -0.07 0.00 -0.75 0.00 0.00 64.21 61.92 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 7.48 -0.16 0.48 0.66 -0.85 -1.26 -5.16 117.35 118.55 1jd1 s TYR 20 Ca 0.61 0.07 -0.04 0.00 -0.52 0.00 0.00 57.07 57.18 1jd1 s TYR 20 Cb 0.04 0.13 -0.02 0.00 0.38 0.00 0.00 41.96 42.49 1jd1 s TYR 20 CO 0.10 -0.52 0.77 -1.12 -1.52 0.00 0.00 175.55 173.26 1jd1 s SER 21 N -1.99 6.09 0.44 -0.18 0.01 -1.26 -4.78 113.70 112.03 1jd1 s SER 21 Ca -0.06 0.76 0.20 0.00 1.31 0.00 0.00 55.95 58.16 1jd1 s SER 21 Cb -0.01 -2.03 1.04 0.00 0.21 0.00 0.00 66.02 65.23 1jd1 s SER 21 CO -0.02 -0.65 1.93 0.45 0.41 0.00 0.00 173.24 175.35 1jd1 h HIS 22 N 0.23 0.00 -2.86 2.43 -0.00 -1.69 -3.41 115.15 109.84 1jd1 h HIS 22 Ca -0.47 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 59.92 1jd1 h HIS 22 Cb 1.22 0.00 -0.12 0.00 -0.00 0.00 0.00 27.41 28.51 1jd1 h HIS 22 CO 0.54 0.24 0.27 0.00 -0.00 0.00 0.00 177.93 178.98 1jd1 s ALA 23 N -4.15 -1.61 -0.02 2.45 0.00 -1.01 -1.36 121.76 116.05 1jd1 s ALA 23 Ca -0.02 0.51 -0.00 0.00 0.00 0.00 0.00 51.96 52.44 1jd1 s ALA 23 Cb 0.13 0.80 0.03 0.00 0.00 0.00 0.00 23.12 24.08 1jd1 s ALA 23 CO 0.66 -0.78 0.03 1.41 0.00 0.00 0.00 175.76 177.08 1jd1 s MET 24 N -3.65 -0.02 -0.18 0.00 0.00 -0.25 0.20 119.30 115.40 1jd1 s MET 24 Ca 0.03 0.21 -0.08 0.00 0.00 0.00 0.00 55.69 55.85 1jd1 s MET 24 Cb -0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 34.83 34.47 1jd1 s MET 24 CO -0.10 -0.19 0.07 0.15 0.00 0.00 0.00 175.02 174.95 1jd1 s LYS 25 N 1.21 3.98 -0.43 4.11 1.02 -0.06 -0.93 119.74 128.64 1jd1 s LYS 25 Ca -0.07 -0.32 -0.01 0.00 0.02 0.00 0.00 55.97 55.59 1jd1 s LYS 25 Cb -0.13 -3.24 0.12 0.00 -0.52 0.00 0.00 37.83 34.06 1jd1 s LYS 25 CO -0.03 0.30 0.21 0.54 -0.92 0.00 0.00 175.35 175.45 1jd1 s VAL 26 N 0.29 3.11 0.00 3.17 0.11 0.51 -0.18 120.40 127.41 1jd1 s VAL 26 Ca 0.04 -2.31 0.00 0.00 -2.93 0.00 0.00 61.98 56.78 1jd1 s VAL 26 Cb -0.12 -3.14 0.00 0.00 -1.53 0.00 0.00 36.38 31.59 1jd1 s VAL 26 CO -0.00 -0.71 0.00 0.59 -3.33 0.00 0.00 175.10 171.65 1jd1 n ASN 27 N 4.29 0.00 -0.28 3.54 4.13 -1.26 -1.64 115.26 124.03 1jd1 n ASN 27 Ca 0.01 0.00 0.14 0.00 1.68 0.00 0.00 54.58 56.40 1jd1 n ASN 27 Cb 0.40 0.00 0.49 0.00 -1.54 0.00 0.00 39.78 39.13 1jd1 n ASN 27 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1jd1 n ASN 28 N 8.24 1.02 -4.81 6.41 4.13 -1.26 -4.86 115.26 124.12 1jd1 n ASN 28 Ca 0.00 -1.02 -0.37 0.00 1.68 0.00 0.00 54.58 54.87 1jd1 n ASN 28 Cb 0.00 0.05 -0.06 0.00 -1.54 0.00 0.00 39.78 38.23 1jd1 n ASN 28 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1jd1 s LEU 29 N -2.32 4.38 -0.20 3.41 2.01 -0.65 -0.04 118.68 125.26 1jd1 s LEU 29 Ca 0.30 0.70 -0.01 0.00 0.01 0.00 0.00 54.13 55.13 1jd1 s LEU 29 Cb 0.20 -2.39 0.01 0.00 0.01 0.00 0.00 46.19 44.02 1jd1 s LEU 29 CO 0.45 0.27 -0.13 -0.63 1.01 0.00 0.00 176.35 177.33 1jd1 s ILE 30 N -0.58 2.67 -0.28 -0.59 1.01 0.97 -0.37 121.20 124.03 1jd1 s ILE 30 Ca 0.19 -0.74 -0.10 0.00 0.00 0.00 0.00 60.65 60.00 1jd1 s ILE 30 Cb -0.14 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 1jd1 s ILE 30 CO 0.08 0.48 0.15 -0.36 0.00 0.00 0.00 174.94 175.29 1jd1 s PHE 31 N 1.38 3.17 -0.00 3.97 0.40 -0.11 -0.62 117.98 126.16 1jd1 s PHE 31 Ca 0.05 -0.21 -0.07 0.00 -0.60 0.00 0.00 56.93 56.10 1jd1 s PHE 31 Cb -0.14 -2.34 -0.05 0.00 0.51 0.00 0.00 43.02 41.01 1jd1 s PHE 31 CO -0.08 -0.30 0.26 -0.51 0.70 0.00 0.00 175.22 175.29 1jd1 s LEU 32 N 1.68 4.38 0.73 -0.37 1.02 -0.21 -1.10 118.68 124.81 1jd1 s LEU 32 Ca 0.06 0.56 -0.11 0.00 0.02 0.00 0.00 54.13 54.67 1jd1 s LEU 32 Cb -0.16 -2.61 0.03 0.00 0.02 0.00 0.00 46.19 43.47 1jd1 s LEU 32 CO 0.08 0.27 1.07 -0.44 0.02 0.00 0.00 176.35 177.35 1jd1 s SER 33 N -1.62 5.07 0.08 2.29 0.01 -0.46 -3.84 113.70 115.22 1jd1 s SER 33 Ca 0.26 1.51 -0.31 0.00 1.31 0.00 0.00 55.95 58.72 1jd1 s SER 33 Cb -0.13 -2.33 -0.08 0.00 0.21 0.00 0.00 66.02 63.69 1jd1 s SER 33 CO 0.15 -1.63 1.45 -0.83 0.41 0.00 0.00 173.24 172.79 1jd1 s GLY 34 N -3.84 1.84 -0.08 3.44 0.00 -1.26 -4.62 107.32 102.79 1jd1 s GLY 34 Ca 0.59 1.09 -0.03 0.00 0.00 0.00 0.00 44.72 46.37 1jd1 s GLY 34 CO 0.55 2.50 0.06 1.20 0.00 0.00 0.00 173.10 177.41 1jd1 s GLN 35 N 1.69 3.14 0.34 2.90 -1.52 0.18 -4.87 119.66 121.52 1jd1 s GLN 35 Ca 0.66 -0.34 0.09 0.00 -1.95 0.00 0.00 55.36 53.83 1jd1 s GLN 35 Cb -0.37 -2.93 -0.07 0.00 -0.22 0.00 0.00 33.01 29.43 1jd1 s GLN 35 CO 0.30 0.72 -0.09 0.96 -0.25 0.00 0.00 175.29 176.93 1jd1 s ILE 36 N -0.98 2.17 0.00 1.08 -4.36 -1.26 -1.25 121.20 116.59 1jd1 s ILE 36 Ca 0.15 -2.19 0.00 0.00 -0.26 0.00 0.00 60.65 58.36 1jd1 s ILE 36 Cb -0.12 -2.65 0.00 0.00 1.25 0.00 0.00 42.46 40.94 1jd1 s ILE 36 CO 0.05 -0.20 0.00 -2.65 0.24 0.00 0.00 174.94 172.38 1jd1 n PRO 37 N -0.78 0.00 -1.26 0.37 -0.02 -1.26 -4.61 135.00 127.43 1jd1 n PRO 37 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1jd1 n PRO 37 Cb 0.64 -0.11 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 1jd1 n PRO 37 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1jd1 n VAL 38 N 0.00 0.00 -1.48 -1.45 0.31 -1.25 -4.36 118.33 110.09 1jd1 n VAL 38 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1jd1 n VAL 38 Cb 0.00 -0.42 0.13 0.00 -0.91 0.00 0.00 33.84 32.64 1jd1 n VAL 38 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1jd1 s THR 39 N -0.00 2.25 -0.61 2.52 -4.23 0.72 -4.85 115.64 111.44 1jd1 s THR 39 Ca 0.00 0.08 0.14 0.00 -1.18 0.00 0.00 61.69 60.73 1jd1 s THR 39 Cb 0.00 -2.79 0.14 0.00 1.34 0.00 0.00 72.50 71.19 1jd1 s THR 39 CO 0.00 -0.11 1.44 -2.65 -0.54 0.00 0.00 174.62 172.76 1jd1 n PRO 40 N -3.75 0.09 -0.92 3.99 -0.02 -1.26 -1.70 135.00 131.42 1jd1 n PRO 40 Ca 0.06 0.50 -0.19 0.00 -2.02 0.00 0.00 63.50 61.85 1jd1 n PRO 40 Cb 0.58 -1.74 0.10 0.00 -0.02 0.00 0.00 33.50 32.43 1jd1 n PRO 40 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1jd1 n ASP 41 N -1.91 4.73 -2.13 2.55 9.92 -1.26 -4.60 116.55 123.85 1jd1 n ASP 41 Ca 0.00 -3.20 -0.08 0.00 -0.53 0.00 0.00 54.79 50.99 1jd1 n ASP 41 Cb 0.08 -0.84 -0.01 0.00 -0.64 0.00 0.00 41.12 39.71 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 -0.47 -2.74 -4.66 -2.24 4.13 -0.69 -4.93 115.26 103.67 1jd1 n ASN 42 Ca 0.42 0.27 -0.33 0.00 1.68 0.00 0.00 54.58 56.62 1jd1 n ASN 42 Cb 1.06 -2.47 -0.09 0.00 -1.54 0.00 0.00 39.78 36.75 1jd1 n ASN 42 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1jd1 s LYS 43 N -4.39 2.73 0.46 3.52 -2.85 -1.23 -4.89 119.74 113.10 1jd1 s LYS 43 Ca 0.00 -0.63 -0.21 0.00 -1.00 0.00 0.00 55.97 54.13 1jd1 s LYS 43 Cb 0.00 -2.63 -0.09 0.00 -2.06 0.00 0.00 37.83 33.05 1jd1 s LYS 43 CO 0.00 0.62 1.02 -0.51 0.10 0.00 0.00 175.35 176.58 1jd1 s LEU 44 N -1.49 3.92 0.00 2.77 1.02 -1.26 0.26 118.68 123.90 1jd1 s LEU 44 Ca 0.19 1.89 -0.19 0.00 0.02 0.00 0.00 54.13 56.03 1jd1 s LEU 44 Cb -0.11 -4.50 -0.06 0.00 0.02 0.00 0.00 46.19 41.54 1jd1 s LEU 44 CO 0.09 -0.63 0.55 -0.69 0.02 0.00 0.00 176.35 175.69 1jd1 s VAL 45 N -1.98 4.91 -0.01 -1.59 1.01 -1.26 -4.74 120.40 116.75 1jd1 s VAL 45 Ca 0.64 1.15 0.08 0.00 0.00 0.00 0.00 61.98 63.85 1jd1 s VAL 45 Cb -0.15 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 1jd1 s VAL 45 CO 0.19 0.47 -0.25 -1.83 0.00 0.00 0.00 175.10 173.68 1jd1 s GLU 46 N -0.47 1.95 0.00 2.72 1.03 -1.26 -4.87 118.70 117.79 1jd1 s GLU 46 Ca 0.29 -0.93 0.00 0.00 0.03 0.00 0.00 54.97 54.36 1jd1 s GLU 46 Cb -0.18 -1.93 0.00 0.00 -0.80 0.00 0.00 34.13 31.22 1jd1 s GLU 46 CO 0.16 0.52 0.00 0.41 -1.33 0.00 0.00 175.26 175.03 1jd1 n GLY 47 N 2.32 0.50 3.91 -3.83 0.00 -1.26 -4.95 105.19 101.89 1jd1 n GLY 47 Ca -0.16 -1.22 -0.27 0.00 0.00 0.00 0.00 46.02 44.36 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 5.68 0.21 1.61 1.04 -1.26 -4.94 113.70 112.03 1jd1 s SER 48 Ca 0.00 0.79 -0.10 0.00 0.48 0.00 0.00 55.95 57.12 1jd1 s SER 48 Cb 0.00 -1.81 0.16 0.00 0.10 0.00 0.00 66.02 64.47 1jd1 s SER 48 CO 0.00 -1.02 1.88 0.40 0.98 0.00 0.00 173.24 175.48 1jd1 h ILE 49 N -0.17 1.19 -0.63 -1.02 1.08 -1.99 -1.03 117.51 114.93 1jd1 h ILE 49 Ca -0.45 -0.35 -0.01 0.00 -0.39 0.00 0.00 64.86 63.66 1jd1 h ILE 49 Cb 1.25 0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 1jd1 h ILE 49 CO 0.61 0.18 0.37 0.00 -0.69 0.00 0.00 178.15 178.62 1jd1 h ALA 50 N 1.28 1.46 -0.61 1.87 0.00 -1.94 0.38 119.26 121.71 1jd1 h ALA 50 Ca 0.28 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1jd1 h ALA 50 Cb -0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1jd1 h ALA 50 CO -0.06 0.46 0.01 -0.44 0.00 0.00 0.00 179.25 179.22 1jd1 h ASP 51 N 0.87 1.02 -0.12 0.00 3.32 -1.60 -2.17 116.42 117.74 1jd1 h ASP 51 Ca 0.23 -0.28 -0.19 0.00 0.02 0.00 0.00 57.03 56.81 1jd1 h ASP 51 Cb -0.02 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.26 1jd1 h ASP 51 CO -0.04 1.07 -0.62 0.11 -1.72 0.00 0.00 179.24 178.04 1jd1 h LYS 52 N 0.96 0.73 -0.79 3.56 1.57 -0.55 -3.13 116.57 118.93 1jd1 h LYS 52 Ca 0.17 -0.50 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 1jd1 h LYS 52 Cb 0.53 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 1jd1 h LYS 52 CO 0.03 1.12 0.40 0.00 -0.57 0.00 0.00 179.45 180.44 1jd1 h ALA 53 N 0.76 1.22 -0.09 3.86 0.00 -0.84 -2.54 119.26 121.63 1jd1 h ALA 53 Ca -0.01 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1jd1 h ALA 53 Cb 1.21 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1jd1 h ALA 53 CO 0.13 0.61 -0.13 1.49 0.00 0.00 0.00 179.25 181.35 1jd1 h GLU 54 N 1.12 -0.17 -0.55 0.00 4.57 -1.34 -1.46 114.58 116.75 1jd1 h GLU 54 Ca 0.28 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.41 1jd1 h GLU 54 Cb 0.07 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 1jd1 h GLU 54 CO -0.04 -0.11 0.10 0.37 -1.18 0.00 0.00 179.01 178.15 1jd1 h GLN 55 N -0.17 0.90 -0.03 1.92 5.75 -1.49 -1.27 115.11 120.72 1jd1 h GLN 55 Ca 0.07 -0.24 0.03 0.00 -0.15 0.00 0.00 58.65 58.37 1jd1 h GLN 55 Cb 0.28 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.68 1jd1 h GLN 55 CO -0.19 0.86 -0.17 -0.39 -2.65 0.00 0.00 178.83 176.29 1jd1 h VAL 56 N 0.79 0.58 0.00 2.39 -1.51 -1.24 0.21 116.25 117.46 1jd1 h VAL 56 Ca 0.17 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.60 1jd1 h VAL 56 Cb 0.39 0.58 -0.01 0.00 -2.13 0.00 0.00 31.29 30.13 1jd1 h VAL 56 CO 0.01 0.00 -0.19 0.40 -1.23 0.00 0.00 177.57 176.56 1jd1 h ILE 57 N -0.27 0.83 -0.39 7.19 2.04 -1.17 -1.28 117.51 124.46 1jd1 h ILE 57 Ca 0.06 -0.74 -0.15 0.00 1.00 0.00 0.00 64.86 65.02 1jd1 h ILE 57 Cb 0.35 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1jd1 h ILE 57 CO -0.18 0.19 -0.36 1.56 0.00 0.00 0.00 178.15 179.35 1jd1 h GLN 58 N 0.00 0.91 -0.56 2.37 1.08 0.11 -0.83 115.11 118.20 1jd1 h GLN 58 Ca -0.00 -0.47 -0.06 0.00 -1.45 0.00 0.00 58.65 56.67 1jd1 h GLN 58 Cb 0.42 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 1jd1 h GLN 58 CO 0.02 1.12 0.10 -0.91 -0.95 0.00 0.00 178.83 178.22 1jd1 h ASN 59 N 0.75 0.87 -0.52 1.46 2.35 0.11 -1.93 115.58 118.67 1jd1 h ASN 59 Ca 0.07 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1jd1 h ASN 59 Cb 0.95 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 39.06 1jd1 h ASN 59 CO 0.09 0.90 0.32 0.40 -1.65 0.00 0.00 177.43 177.49 1jd1 h ILE 60 N 0.81 1.16 -0.32 2.81 1.08 -1.08 -1.83 117.51 120.14 1jd1 h ILE 60 Ca 0.17 -0.34 0.02 0.00 -0.39 0.00 0.00 64.86 64.31 1jd1 h ILE 60 Cb 0.39 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 1jd1 h ILE 60 CO 0.01 0.16 0.18 0.50 -0.69 0.00 0.00 178.15 178.30 1jd1 h LYS 61 N 0.70 0.35 -0.59 2.37 3.64 -0.84 -0.40 116.57 121.81 1jd1 h LYS 61 Ca 0.19 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1jd1 h LYS 61 Cb -0.02 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1jd1 h LYS 61 CO -0.04 0.23 0.39 -0.91 -2.27 0.00 0.00 179.45 176.85 1jd1 h ASN 62 N 0.36 0.69 -0.56 4.20 -0.26 -1.17 -0.39 115.58 118.46 1jd1 h ASN 62 Ca 0.13 -0.03 -0.05 0.00 -0.56 0.00 0.00 56.30 55.79 1jd1 h ASN 62 Cb 0.01 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.07 1jd1 h ASN 62 CO -0.07 0.51 0.17 0.58 -1.06 0.00 0.00 177.43 177.57 1jd1 h VAL 63 N 0.80 1.23 -0.50 2.81 2.07 -1.00 -1.01 116.25 120.65 1jd1 h VAL 63 Ca 0.22 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1jd1 h VAL 63 Cb -0.08 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1jd1 h VAL 63 CO -0.05 0.31 0.20 -0.07 0.02 0.00 0.00 177.57 177.99 1jd1 h LEU 64 N 0.89 0.70 -0.19 2.57 3.38 -0.48 -1.34 115.31 120.84 1jd1 h LEU 64 Ca 0.20 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1jd1 h LEU 64 Cb 0.28 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1jd1 h LEU 64 CO -0.01 0.67 0.10 -0.33 0.09 0.00 0.00 178.44 178.97 1jd1 h GLU 65 N 0.67 0.21 0.00 1.13 5.08 -0.49 0.17 114.58 121.35 1jd1 h GLU 65 Ca 0.17 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1jd1 h GLU 65 Cb 0.19 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1jd1 h GLU 65 CO -0.01 0.14 -0.06 0.00 -1.00 0.00 0.00 179.01 178.07 1jd1 h ALA 66 N 1.09 1.19 -0.32 3.43 0.00 -1.02 -0.76 119.26 122.88 1jd1 h ALA 66 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jd1 h ALA 66 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jd1 h ALA 66 CO -0.04 0.07 0.00 0.43 0.00 0.00 0.00 179.25 179.71 1jd1 n SER 67 N -3.43 2.16 -2.65 0.00 7.64 -0.52 -4.91 113.62 111.90 1jd1 n SER 67 Ca -0.02 -1.88 -0.13 0.00 1.01 0.00 0.00 58.87 57.85 1jd1 n SER 67 Cb 0.19 -0.21 0.06 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.66 -3.10 -1.37 6.43 4.05 -0.29 -4.89 115.26 116.76 1jd1 n ASN 68 Ca 0.16 -0.41 -0.03 0.00 0.45 0.00 0.00 54.58 54.75 1jd1 n ASN 68 Cb 0.37 -3.65 -0.01 0.00 1.23 0.00 0.00 39.78 37.72 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 -2.15 -0.17 -4.02 1.20 2.88 0.49 -4.66 113.62 107.19 1jd1 n SER 69 Ca -0.13 -1.36 -0.09 0.00 -1.33 0.00 0.00 58.87 55.96 1jd1 n SER 69 Cb 0.59 0.35 -0.06 0.00 -0.75 0.00 0.00 64.21 64.35 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 -1.39 -0.06 0.37 -3.46 1.04 -1.26 -3.63 113.70 105.31 1jd1 s SER 70 Ca 0.06 -0.98 0.08 0.00 0.48 0.00 0.00 55.95 55.59 1jd1 s SER 70 Cb 0.00 0.56 0.73 0.00 0.10 0.00 0.00 66.02 67.42 1jd1 s SER 70 CO 0.04 -1.10 1.90 -0.07 0.98 0.00 0.00 173.24 174.99 1jd1 h LEU 71 N 2.30 0.28 0.00 2.42 3.38 -1.95 -1.09 115.31 120.66 1jd1 h LEU 71 Ca -0.27 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1jd1 h LEU 71 Cb 1.25 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1jd1 h LEU 71 CO 0.38 0.43 0.00 0.47 0.09 0.00 0.00 178.44 179.80 1jd1 n ASP 72 N -4.27 0.00 -0.45 -0.43 8.00 -1.26 -2.29 116.55 115.85 1jd1 n ASP 72 Ca -0.00 -0.49 0.04 0.00 0.71 0.00 0.00 54.79 55.05 1jd1 n ASP 72 Cb 0.27 -0.10 0.11 0.00 -0.02 0.00 0.00 41.12 41.38 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 -1.10 2.90 -2.51 -1.24 1.74 -0.42 -5.00 116.66 111.04 1jd1 n ARG 73 Ca 0.15 -1.90 -0.41 0.00 -0.77 0.00 0.00 57.85 54.92 1jd1 n ARG 73 Cb 0.12 -1.20 -0.04 0.00 -1.02 0.00 0.00 32.46 30.32 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 -1.03 3.80 -0.26 1.55 1.01 -0.97 -0.68 120.40 123.82 1jd1 s VAL 74 Ca 0.17 1.59 -0.09 0.00 0.00 0.00 0.00 61.98 63.64 1jd1 s VAL 74 Cb 0.09 -4.01 -0.15 0.00 0.00 0.00 0.00 36.38 32.31 1jd1 s VAL 74 CO 0.11 0.29 -0.25 0.52 0.00 0.00 0.00 175.10 175.77 1jd1 n VAL 75 N 2.20 1.53 -3.80 2.92 0.31 0.19 -4.53 118.33 117.14 1jd1 n VAL 75 Ca 0.02 -0.43 -0.13 0.00 -0.01 0.00 0.00 64.34 63.80 1jd1 n VAL 75 Cb 0.46 -1.74 -0.12 0.00 -0.91 0.00 0.00 33.84 31.53 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 -2.50 0.28 -0.02 5.55 2.47 -0.95 -1.32 119.74 123.24 1jd1 s LYS 76 Ca -0.36 0.25 0.05 0.00 -1.56 0.00 0.00 55.97 54.35 1jd1 s LYS 76 Cb 0.12 0.13 -0.01 0.00 -1.46 0.00 0.00 37.83 36.61 1jd1 s LYS 76 CO 0.54 -0.04 -0.18 0.08 0.16 0.00 0.00 175.35 175.92 1jd1 s VAL 77 N -0.01 1.43 -0.11 4.02 1.01 -0.43 -0.45 120.40 125.87 1jd1 s VAL 77 Ca -0.01 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1jd1 s VAL 77 Cb -0.02 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1jd1 s VAL 77 CO 0.00 0.41 -0.17 0.20 0.00 0.00 0.00 175.10 175.54 1jd1 s ASN 78 N -0.29 2.59 -0.08 3.32 0.01 -0.64 -1.92 114.94 117.92 1jd1 s ASN 78 Ca 0.04 -0.47 0.04 0.00 -0.71 0.00 0.00 52.86 51.76 1jd1 s ASN 78 Cb -0.08 -1.17 -0.01 0.00 0.41 0.00 0.00 41.25 40.39 1jd1 s ASN 78 CO 0.00 0.05 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.81 1jd1 s ILE 79 N 0.85 2.48 -0.12 0.60 1.09 -0.48 -1.55 121.20 124.07 1jd1 s ILE 79 Ca -0.09 -0.90 0.03 0.00 -1.10 0.00 0.00 60.65 58.59 1jd1 s ILE 79 Cb -0.15 -1.96 0.01 0.00 -1.06 0.00 0.00 42.46 39.30 1jd1 s ILE 79 CO -0.00 0.56 -0.21 -0.36 -0.10 0.00 0.00 174.94 174.84 1jd1 s PHE 80 N -0.12 2.44 0.02 3.97 0.40 0.15 -2.19 117.98 122.64 1jd1 s PHE 80 Ca -0.03 -1.15 0.05 0.00 -0.60 0.00 0.00 56.93 55.20 1jd1 s PHE 80 Cb -0.14 -1.67 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 1jd1 s PHE 80 CO 0.04 -0.52 -0.12 -0.51 0.70 0.00 0.00 175.22 174.81 1jd1 s LEU 81 N 0.72 2.88 0.38 -0.37 1.43 -0.20 -1.31 118.68 122.21 1jd1 s LEU 81 Ca -0.10 -0.28 0.26 0.00 -1.03 0.00 0.00 54.13 52.98 1jd1 s LEU 81 Cb -0.16 -1.66 0.67 0.00 0.03 0.00 0.00 46.19 45.07 1jd1 s LEU 81 CO 0.01 0.28 1.72 0.00 0.23 0.00 0.00 176.35 178.59 1jd1 h ALA 82 N 4.60 1.00 -3.16 4.21 0.00 -1.55 0.33 119.26 124.68 1jd1 h ALA 82 Ca -0.48 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.14 1jd1 h ALA 82 Cb 1.16 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 18.60 1jd1 h ALA 82 CO 0.51 0.00 -0.65 0.34 0.00 0.00 0.00 179.25 179.45 1jd1 s ASP 83 N -5.55 0.62 0.41 0.00 -1.08 -1.26 -4.72 116.67 105.09 1jd1 s ASP 83 Ca 0.07 0.28 0.10 0.00 -0.52 0.00 0.00 52.55 52.48 1jd1 s ASP 83 Cb 0.08 0.19 0.90 0.00 -1.46 0.00 0.00 42.92 42.63 1jd1 s ASP 83 CO 0.61 -0.22 2.01 -0.29 0.52 0.00 0.00 175.17 177.79 1jd1 h ILE 84 N 6.32 1.00 0.00 4.11 6.09 -1.93 -1.13 117.51 131.97 1jd1 h ILE 84 Ca -0.20 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.11 1jd1 h ILE 84 Cb 1.12 0.42 0.00 0.00 0.47 0.00 0.00 36.82 38.83 1jd1 h ILE 84 CO 0.21 0.10 0.00 0.59 -3.07 0.00 0.00 178.15 175.98 1jd1 n ASN 85 N -4.47 0.00 -0.65 2.19 3.02 -1.26 -0.61 115.26 113.47 1jd1 n ASN 85 Ca 0.07 0.28 0.13 0.00 -0.03 0.00 0.00 54.58 55.04 1jd1 n ASN 85 Cb 0.22 -0.30 0.31 0.00 -0.61 0.00 0.00 39.78 39.41 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 -1.30 0.00 0.13 3.10 8.25 -0.43 -4.49 115.22 120.48 1jd1 n HIS 86 Ca 0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.33 1jd1 n HIS 86 Cb 0.01 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 1jd1 n HIS 86 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1jd1 h PHE 87 N 3.19 -1.22 -0.21 4.41 0.05 -1.03 -0.32 116.94 121.81 1jd1 h PHE 87 Ca 0.00 0.03 0.05 0.00 3.82 0.00 0.00 57.97 61.87 1jd1 h PHE 87 Cb 0.71 0.51 -0.07 0.00 2.00 0.00 0.00 35.95 39.10 1jd1 h PHE 87 CO 0.00 -0.50 -0.36 0.00 -0.18 0.00 0.00 178.31 177.27 1jd1 h ALA 88 N -0.82 -0.39 -0.97 2.45 0.00 -1.82 0.48 119.26 118.19 1jd1 h ALA 88 Ca -0.02 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1jd1 h ALA 88 Cb 0.64 0.70 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 1jd1 h ALA 88 CO -0.19 -0.82 0.63 1.49 0.00 0.00 0.00 179.25 180.36 1jd1 h GLU 89 N -0.39 1.17 0.03 0.00 4.81 -1.83 0.60 114.58 118.97 1jd1 h GLU 89 Ca 0.11 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1jd1 h GLU 89 Cb 0.57 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1jd1 h GLU 89 CO -0.42 0.77 -0.01 0.35 -0.73 0.00 0.00 179.01 178.97 1jd1 h PHE 90 N 1.20 -0.03 -0.93 0.92 3.57 -0.06 -2.78 116.94 118.84 1jd1 h PHE 90 Ca 0.40 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 62.09 1jd1 h PHE 90 Cb 0.05 0.01 -0.11 0.00 2.79 0.00 0.00 35.95 38.69 1jd1 h PHE 90 CO -0.01 0.27 0.50 -0.91 -2.23 0.00 0.00 178.31 175.93 1jd1 h ASN 91 N -0.33 0.58 -0.47 0.41 2.35 0.58 -0.99 115.58 117.70 1jd1 h ASN 91 Ca -0.00 0.11 0.09 0.00 -0.55 0.00 0.00 56.30 55.95 1jd1 h ASN 91 Cb 0.31 0.03 -0.08 0.00 0.05 0.00 0.00 38.32 38.63 1jd1 h ASN 91 CO 0.01 0.17 -0.03 0.28 -1.65 0.00 0.00 177.43 176.21 1jd1 h SER 92 N 0.61 -0.25 -0.17 5.81 0.02 -0.62 -1.35 113.55 117.59 1jd1 h SER 92 Ca 0.54 0.12 -0.17 0.00 -0.84 0.00 0.00 61.79 61.44 1jd1 h SER 92 Cb 0.89 0.22 0.01 0.00 0.14 0.00 0.00 62.40 63.66 1jd1 h SER 92 CO -0.42 -0.09 -0.55 0.58 -1.14 0.00 0.00 176.83 175.21 1jd1 h VAL 93 N 0.09 1.32 -0.81 2.27 2.07 -1.12 -3.26 116.25 116.80 1jd1 h VAL 93 Ca 0.24 -1.79 0.12 0.00 0.82 0.00 0.00 66.70 66.09 1jd1 h VAL 93 Cb 0.35 1.96 -0.08 0.00 -1.52 0.00 0.00 31.29 32.00 1jd1 h VAL 93 CO -0.42 0.56 0.42 0.22 0.02 0.00 0.00 177.57 178.37 1jd1 h TYR 94 N 0.36 0.75 -0.08 1.57 3.20 -0.86 -1.70 116.97 120.21 1jd1 h TYR 94 Ca -0.02 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1jd1 h TYR 94 Cb 1.17 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.23 1jd1 h TYR 94 CO 0.09 0.23 0.08 0.00 -1.64 0.00 0.00 178.16 176.92 1jd1 h ALA 95 N 1.51 1.72 0.00 1.82 0.00 -1.30 -0.81 119.26 122.20 1jd1 h ALA 95 Ca 0.42 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 1jd1 h ALA 95 Cb 0.52 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1jd1 h ALA 95 CO -0.32 -0.12 -0.34 0.87 0.00 0.00 0.00 179.25 179.34 1jd1 h LYS 96 N 0.00 0.00 0.00 0.00 1.57 -1.43 -3.29 116.57 113.42 1jd1 h LYS 96 Ca 0.04 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.60 1jd1 h LYS 96 Cb 0.20 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1jd1 h LYS 96 CO -0.00 0.34 -1.90 0.66 -0.57 0.00 0.00 179.45 177.97 1jd1 n TYR 97 N -3.39 0.44 -3.86 -1.35 4.02 -0.37 -4.74 117.16 107.91 1jd1 n TYR 97 Ca 0.01 0.15 -0.30 0.00 -0.01 0.00 0.00 57.90 57.74 1jd1 n TYR 97 Cb 0.53 -0.95 -0.15 0.00 -0.02 0.00 0.00 39.34 38.76 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 -2.86 2.64 0.10 -0.72 0.40 -0.85 -4.90 117.98 111.79 1jd1 s PHE 98 Ca -0.07 -2.33 0.00 0.00 -0.60 0.00 0.00 56.93 53.93 1jd1 s PHE 98 Cb 0.09 -2.27 0.00 0.00 0.51 0.00 0.00 43.02 41.35 1jd1 s PHE 98 CO 0.84 -0.91 0.00 0.09 0.70 0.00 0.00 175.22 175.94 1jd1 n ASN 99 N 4.53 0.29 -0.13 1.36 5.03 -1.26 -4.59 115.26 120.49 1jd1 n ASN 99 Ca 0.01 0.16 -0.11 0.00 0.87 0.00 0.00 54.58 55.51 1jd1 n ASN 99 Cb 0.42 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.16 1jd1 n ASN 99 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1jd1 h THR 100 N 0.00 1.27 -3.39 3.41 1.35 -1.93 -3.40 112.91 110.22 1jd1 h THR 100 Ca 0.00 -1.13 -0.63 0.00 -0.55 0.00 0.00 66.41 64.11 1jd1 h THR 100 Cb 0.00 1.21 -0.19 0.00 -1.73 0.00 0.00 68.15 67.44 1jd1 h THR 100 CO 0.00 0.38 -0.60 -2.28 -0.25 0.00 0.00 175.52 172.77 1jd1 s HIS 101 N -4.85 3.17 -0.36 4.73 5.65 -1.26 -5.07 115.29 117.29 1jd1 s HIS 101 Ca -0.13 -0.11 0.02 0.00 0.25 0.00 0.00 55.06 55.09 1jd1 s HIS 101 Cb 0.10 -2.10 0.11 0.00 -1.18 0.00 0.00 32.58 29.51 1jd1 s HIS 101 CO 0.81 -0.01 0.12 -1.59 -0.65 0.00 0.00 174.74 173.42 1jd1 s LYS 102 N 0.68 1.14 0.94 2.88 0.00 -1.26 -4.50 119.74 119.63 1jd1 s LYS 102 Ca 0.02 -1.61 -0.12 0.00 0.00 0.00 0.00 55.97 54.27 1jd1 s LYS 102 Cb -0.13 -2.52 0.16 0.00 0.00 0.00 0.00 37.83 35.33 1jd1 s LYS 102 CO 0.02 -1.02 1.09 -2.14 0.00 0.00 0.00 175.35 173.30 1jd1 s PRO 103 N 1.02 0.85 0.77 1.78 0.02 -1.26 -4.99 135.00 133.19 1jd1 s PRO 103 Ca 0.12 0.89 -0.12 0.00 0.02 0.00 0.00 61.00 61.92 1jd1 s PRO 103 Cb -0.20 -1.76 0.06 0.00 0.02 0.00 0.00 34.50 32.62 1jd1 s PRO 103 CO -0.13 -2.54 1.12 0.00 -0.33 0.00 0.00 177.00 175.11 1jd1 s ALA 104 N -2.83 2.16 0.06 -1.55 0.00 -0.43 -4.86 121.76 114.30 1jd1 s ALA 104 Ca 0.65 0.44 -0.23 0.00 0.00 0.00 0.00 51.96 52.82 1jd1 s ALA 104 Cb -0.20 -3.33 0.06 0.00 0.00 0.00 0.00 23.12 19.65 1jd1 s ALA 104 CO 0.58 -1.84 0.54 0.50 0.00 0.00 0.00 175.76 175.55 1jd1 s ARG 105 N -4.59 1.08 0.02 0.00 3.52 -1.26 -1.31 118.95 116.41 1jd1 s ARG 105 Ca 0.65 -0.25 -0.04 0.00 -0.13 0.00 0.00 55.73 55.95 1jd1 s ARG 105 Cb -0.20 0.49 -0.01 0.00 -1.56 0.00 0.00 34.95 33.67 1jd1 s ARG 105 CO 0.52 -0.40 0.07 0.45 -0.81 0.00 0.00 175.30 175.13 1jd1 s SER 106 N -2.06 0.14 -0.15 -2.12 0.15 -0.81 -4.97 113.70 103.88 1jd1 s SER 106 Ca -0.04 -0.39 -0.08 0.00 0.70 0.00 0.00 55.95 56.14 1jd1 s SER 106 Cb -0.01 0.18 0.06 0.00 -1.71 0.00 0.00 66.02 64.54 1jd1 s SER 106 CO -0.03 -0.38 0.35 0.00 1.20 0.00 0.00 173.24 174.38 1jd1 s VAL 108 N 1.40 0.32 -0.24 0.00 -7.23 -0.93 -5.01 120.40 108.71 1jd1 s VAL 108 Ca -0.09 -1.72 -0.10 0.00 -1.81 0.00 0.00 61.98 58.27 1jd1 s VAL 108 Cb -0.09 -1.39 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 1jd1 s VAL 108 CO -0.11 -0.90 0.13 0.00 -0.31 0.00 0.00 175.10 173.92 1jd1 s ALA 109 N -3.50 3.48 0.49 1.32 0.00 -1.26 -1.04 121.76 121.25 1jd1 s ALA 109 Ca 0.05 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.14 1jd1 s ALA 109 Cb 0.05 -2.25 0.03 0.00 0.00 0.00 0.00 23.12 20.95 1jd1 s ALA 109 CO -0.08 -0.26 0.52 0.14 0.00 0.00 0.00 175.76 176.08 1jd1 s VAL 110 N 1.19 2.32 0.07 0.00 -7.23 0.12 -4.90 120.40 111.96 1jd1 s VAL 110 Ca 0.06 -1.25 -0.15 0.00 -1.81 0.00 0.00 61.98 58.84 1jd1 s VAL 110 Cb -0.14 -2.56 -0.20 0.00 0.56 0.00 0.00 36.38 34.03 1jd1 s VAL 110 CO 0.05 0.00 1.22 0.00 -0.31 0.00 0.00 175.10 176.06 1jd1 h ALA 111 N 0.69 0.19 -2.99 1.32 0.00 -1.88 -3.41 119.26 113.18 1jd1 h ALA 111 Ca -0.37 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 53.90 1jd1 h ALA 111 Cb 1.28 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.99 1jd1 h ALA 111 CO 0.51 0.60 0.20 0.00 0.00 0.00 0.00 179.25 180.56 1jd1 s ALA 112 N -3.49 -1.50 0.18 0.00 0.00 -1.26 -4.99 121.76 110.70 1jd1 s ALA 112 Ca -0.11 0.34 0.04 0.00 0.00 0.00 0.00 51.96 52.23 1jd1 s ALA 112 Cb 0.07 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 24.02 1jd1 s ALA 112 CO 0.89 -0.80 -0.05 -0.51 0.00 0.00 0.00 175.76 175.29 1jd1 s LEU 113 N -2.78 2.36 0.32 0.00 2.01 -1.26 -5.02 118.68 114.31 1jd1 s LEU 113 Ca 0.03 -1.11 -0.28 0.00 0.01 0.00 0.00 54.13 52.77 1jd1 s LEU 113 Cb -0.02 -0.29 -0.13 0.00 0.01 0.00 0.00 46.19 45.77 1jd1 s LEU 113 CO -0.10 -0.42 1.28 -2.65 1.01 0.00 0.00 176.35 175.47 1jd1 n PRO 114 N -0.29 2.05 -1.04 1.29 -0.02 -1.26 -1.51 135.00 134.22 1jd1 n PRO 114 Ca -0.08 0.72 -0.01 0.00 -2.02 0.00 0.00 63.50 62.11 1jd1 n PRO 114 Cb 0.62 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.80 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 1.01 0.70 -0.45 2.45 4.32 -1.26 -2.84 117.00 120.94 1jd1 n LEU 115 Ca 0.06 0.03 -0.06 0.00 -0.02 0.00 0.00 56.01 56.03 1jd1 n LEU 115 Cb 0.35 -2.27 -0.03 0.00 -1.62 0.00 0.00 43.42 39.86 1jd1 n LEU 115 CO 0.62 -0.88 -0.06 0.61 -1.22 0.00 0.00 177.39 176.47 1jd1 n GLY 116 N 0.39 0.83 3.69 -0.72 0.00 -0.57 -5.02 105.19 103.79 1jd1 n GLY 116 Ca -0.01 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.17 2.52 -2.41 1.61 -7.23 -1.13 -4.90 120.40 106.69 1jd1 s VAL 117 Ca 0.00 0.17 0.26 0.00 -1.81 0.00 0.00 61.98 60.60 1jd1 s VAL 117 Cb 0.00 -2.56 0.36 0.00 0.56 0.00 0.00 36.38 34.74 1jd1 s VAL 117 CO 0.00 -0.22 1.54 0.47 -0.31 0.00 0.00 175.10 176.58 1jd1 n ASP 118 N -4.04 1.77 -3.53 4.85 8.00 -1.26 -4.42 116.55 117.92 1jd1 n ASP 118 Ca 0.07 -1.48 -0.11 0.00 0.71 0.00 0.00 54.79 53.98 1jd1 n ASP 118 Cb 0.55 0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.68 1jd1 n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jd1 s MET 119 N -2.15 0.81 -0.11 -1.24 0.23 -1.26 -1.67 119.30 113.91 1jd1 s MET 119 Ca 0.31 -0.07 -0.06 0.00 -1.03 0.00 0.00 55.69 54.84 1jd1 s MET 119 Cb 0.20 0.38 0.04 0.00 -1.53 0.00 0.00 34.83 33.92 1jd1 s MET 119 CO 0.39 -0.31 0.26 -2.00 -2.03 0.00 0.00 175.02 171.33 1jd1 s GLU 120 N -2.16 0.24 -0.06 3.16 2.12 -0.43 -4.31 118.70 117.25 1jd1 s GLU 120 Ca -0.00 0.52 0.02 0.00 0.36 0.00 0.00 54.97 55.86 1jd1 s GLU 120 Cb -0.01 -0.06 0.02 0.00 0.26 0.00 0.00 34.13 34.34 1jd1 s GLU 120 CO -0.03 -0.14 -0.11 1.41 -0.54 0.00 0.00 175.26 175.86 1jd1 s MET 121 N 1.04 1.55 0.33 4.30 -2.45 -0.38 -0.68 119.30 123.01 1jd1 s MET 121 Ca -0.07 -0.36 0.09 0.00 -1.25 0.00 0.00 55.69 54.10 1jd1 s MET 121 Cb -0.08 -1.32 -0.06 0.00 1.25 0.00 0.00 34.83 34.61 1jd1 s MET 121 CO -0.07 -0.00 -0.09 -1.83 1.05 0.00 0.00 175.02 174.07 1jd1 s GLU 122 N 0.75 1.77 0.20 4.11 -1.05 -0.60 -0.65 118.70 123.23 1jd1 s GLU 122 Ca -0.13 -1.91 -0.16 0.00 -0.15 0.00 0.00 54.97 52.63 1jd1 s GLU 122 Cb -0.15 -1.61 0.02 0.00 -0.44 0.00 0.00 34.13 31.94 1jd1 s GLU 122 CO 0.03 0.13 0.49 0.00 0.95 0.00 0.00 175.26 176.85 1jd1 s ALA 123 N -2.68 -0.69 -0.05 -0.84 0.00 -1.25 -1.62 121.76 114.63 1jd1 s ALA 123 Ca 0.32 -0.44 0.03 0.00 0.00 0.00 0.00 51.96 51.87 1jd1 s ALA 123 Cb 0.02 0.88 0.01 0.00 0.00 0.00 0.00 23.12 24.04 1jd1 s ALA 123 CO 0.16 -0.80 -0.11 0.42 0.00 0.00 0.00 175.76 175.43 1jd1 s ILE 124 N -3.91 1.00 0.22 0.00 1.01 0.41 -1.05 121.20 118.88 1jd1 s ILE 124 Ca 0.13 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.34 1jd1 s ILE 124 Cb -0.01 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.51 1jd1 s ILE 124 CO -0.00 0.31 0.09 0.00 0.00 0.00 0.00 174.94 175.34 1jd1 s ALA 125 N 0.44 1.42 -0.09 9.38 0.00 0.21 0.55 121.76 133.66 1jd1 s ALA 125 Ca -0.09 -1.74 -0.02 0.00 0.00 0.00 0.00 51.96 50.12 1jd1 s ALA 125 Cb -0.13 1.07 -0.03 0.00 0.00 0.00 0.00 23.12 24.03 1jd1 s ALA 125 CO 0.02 -0.48 -0.00 0.00 0.00 0.00 0.00 175.76 175.29 1jd1 s ALA 126 N -3.90 3.26 -2.82 0.00 0.00 0.14 -0.02 121.76 118.42 1jd1 s ALA 126 Ca 0.35 -0.81 0.25 0.00 0.00 0.00 0.00 51.96 51.75 1jd1 s ALA 126 Cb 0.07 -1.47 0.50 0.00 0.00 0.00 0.00 23.12 22.23 1jd1 s ALA 126 CO 0.11 0.58 1.44 -1.91 0.00 0.00 0.00 175.76 175.97