#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jd2 s THR 2 N 0.00 0.31 0.05 12.58 2.01 -1.26 -0.92 115.64 128.41 1jd2 s THR 2 Ca 0.00 -0.11 0.05 0.00 0.31 0.00 0.00 61.69 61.94 1jd2 s THR 2 Cb 0.00 -0.66 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 1jd2 s THR 2 CO 0.00 0.03 -0.13 0.27 -0.69 0.00 0.00 174.62 174.09 1jd2 s ILE 3 N 1.98 1.04 0.22 1.82 -4.36 -0.69 -2.12 121.20 119.09 1jd2 s ILE 3 Ca 0.03 -1.09 -0.05 0.00 -0.26 0.00 0.00 60.65 59.28 1jd2 s ILE 3 Cb -0.14 -0.98 -0.03 0.00 1.25 0.00 0.00 42.46 42.56 1jd2 s ILE 3 CO -0.06 -0.11 0.24 0.68 0.24 0.00 0.00 174.94 175.93 1jd2 s VAL 4 N -1.02 0.00 -0.14 8.37 -7.23 -0.13 -0.76 120.40 119.48 1jd2 s VAL 4 Ca -0.01 -1.82 -0.11 0.00 -1.81 0.00 0.00 61.98 58.24 1jd2 s VAL 4 Cb -0.09 -2.41 0.04 0.00 0.56 0.00 0.00 36.38 34.48 1jd2 s VAL 4 CO 0.01 0.00 0.36 -0.83 -0.31 0.00 0.00 175.10 174.33 1jd2 s GLY 5 N -3.12 -0.27 -0.03 2.32 0.00 -0.46 -1.05 107.32 104.72 1jd2 s GLY 5 Ca 0.34 1.12 -0.00 0.00 0.00 0.00 0.00 44.72 46.18 1jd2 s GLY 5 CO 0.11 1.08 0.02 0.14 0.00 0.00 0.00 173.10 174.46 1jd2 s VAL 6 N 0.56 0.02 0.21 1.40 1.01 0.15 -1.62 120.40 122.14 1jd2 s VAL 6 Ca -0.03 0.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.97 1jd2 s VAL 6 Cb -0.05 -0.16 -0.08 0.00 0.00 0.00 0.00 36.38 36.09 1jd2 s VAL 6 CO -0.03 0.12 0.67 -0.75 0.00 0.00 0.00 175.10 175.11 1jd2 s LYS 7 N 1.21 4.14 0.18 2.72 2.20 0.52 -1.42 119.74 129.28 1jd2 s LYS 7 Ca -0.07 0.73 0.02 0.00 -0.36 0.00 0.00 55.97 56.28 1jd2 s LYS 7 Cb -0.13 -2.84 -0.05 0.00 -1.51 0.00 0.00 37.83 33.31 1jd2 s LYS 7 CO -0.03 0.39 0.01 -0.59 -0.36 0.00 0.00 175.35 174.77 1jd2 s PHE 8 N -1.56 1.22 0.20 4.03 -0.12 -0.52 -4.80 117.98 116.42 1jd2 s PHE 8 Ca 0.43 -1.03 0.11 0.00 -0.05 0.00 0.00 56.93 56.39 1jd2 s PHE 8 Cb -0.15 -0.69 0.73 0.00 -0.63 0.00 0.00 43.02 42.27 1jd2 s PHE 8 CO 0.20 -0.22 0.88 0.27 -0.05 0.00 0.00 175.22 176.30 1jd2 n ASN 9 N -0.25 0.17 -2.46 1.98 0.23 -0.73 -1.59 115.26 112.61 1jd2 n ASN 9 Ca -0.06 0.93 -0.00 0.00 -0.53 0.00 0.00 54.58 54.92 1jd2 n ASN 9 Cb 0.63 -0.44 0.04 0.00 -2.08 0.00 0.00 39.78 37.93 1jd2 n ASN 9 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1jd2 n ASN 10 N -4.31 1.60 0.00 0.53 5.15 -1.26 -5.10 115.26 111.88 1jd2 n ASN 10 Ca 0.21 -2.13 0.00 0.00 -0.60 0.00 0.00 54.58 52.06 1jd2 n ASN 10 Cb 0.70 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 1jd2 n ASN 10 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jd2 n GLY 11 N -0.36 -0.57 3.29 8.20 0.00 -0.62 -2.11 105.19 113.01 1jd2 n GLY 11 Ca 0.09 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 1jd2 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jd2 s VAL 12 N -3.00 0.07 0.01 1.61 0.11 0.24 -1.44 120.40 118.00 1jd2 s VAL 12 Ca 0.00 -0.60 -0.02 0.00 -2.93 0.00 0.00 61.98 58.43 1jd2 s VAL 12 Cb 0.00 -1.01 -0.01 0.00 -1.53 0.00 0.00 36.38 33.82 1jd2 s VAL 12 CO 0.00 -0.33 0.01 0.54 -3.33 0.00 0.00 175.10 171.99 1jd2 s VAL 13 N -2.85 0.10 0.09 2.04 0.11 -0.51 -0.78 120.40 118.60 1jd2 s VAL 13 Ca -0.03 -0.80 0.01 0.00 -2.93 0.00 0.00 61.98 58.23 1jd2 s VAL 13 Cb 0.00 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 1jd2 s VAL 13 CO -0.05 -0.44 -0.06 0.27 -3.33 0.00 0.00 175.10 171.49 1jd2 s ILE 14 N -1.36 0.60 0.20 7.04 -4.36 -0.79 -0.67 121.20 121.87 1jd2 s ILE 14 Ca -0.15 -1.86 -0.16 0.00 -0.26 0.00 0.00 60.65 58.21 1jd2 s ILE 14 Cb -0.09 -1.59 0.02 0.00 1.25 0.00 0.00 42.46 42.05 1jd2 s ILE 14 CO -0.00 -0.87 0.51 0.00 0.24 0.00 0.00 174.94 174.82 1jd2 s ALA 15 N -3.55 -0.80 0.04 2.27 0.00 -0.21 -1.43 121.76 118.08 1jd2 s ALA 15 Ca 0.10 -0.35 -0.28 0.00 0.00 0.00 0.00 51.96 51.43 1jd2 s ALA 15 Cb 0.05 0.87 0.09 0.00 0.00 0.00 0.00 23.12 24.13 1jd2 s ALA 15 CO -0.05 -0.81 0.88 0.00 0.00 0.00 0.00 175.76 175.78 1jd2 s ALA 16 N -3.90 -1.78 1.00 0.00 0.00 -0.69 -0.96 121.76 115.44 1jd2 s ALA 16 Ca 0.11 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1jd2 s ALA 16 Cb -0.01 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.60 1jd2 s ALA 16 CO -0.01 -0.76 0.00 -0.40 0.00 0.00 0.00 175.76 174.59 1jd2 n ASP 17 N -0.30 0.00 -0.48 0.00 5.75 -0.90 -1.03 116.55 119.59 1jd2 n ASP 17 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.69 1jd2 n ASP 17 Cb 0.62 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 1jd2 n ASP 17 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1jd2 n THR 18 N -0.02 0.00 -3.44 2.12 -2.24 -1.00 -4.59 114.28 105.11 1jd2 n THR 18 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1jd2 n THR 18 Cb 0.00 0.41 -0.07 0.00 -2.10 0.00 0.00 70.33 68.57 1jd2 n THR 18 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1jd2 s ARG 19 N 0.00 4.28 -0.04 -0.78 3.52 -1.20 -0.85 118.95 123.88 1jd2 s ARG 19 Ca 0.00 0.25 0.04 0.00 -0.13 0.00 0.00 55.73 55.89 1jd2 s ARG 19 Cb 0.00 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 1jd2 s ARG 19 CO 0.00 0.22 -0.14 0.45 -0.81 0.00 0.00 175.30 175.02 1jd2 s SER 20 N 0.49 4.03 -0.08 -2.12 0.15 -1.05 -4.79 113.70 110.33 1jd2 s SER 20 Ca 0.21 -0.22 -0.05 0.00 0.70 0.00 0.00 55.95 56.58 1jd2 s SER 20 Cb -0.14 -0.83 0.03 0.00 -1.71 0.00 0.00 66.02 63.37 1jd2 s SER 20 CO 0.07 0.33 0.20 0.42 1.20 0.00 0.00 173.24 175.46 1jd2 s THR 21 N -0.77 -0.02 -0.55 6.45 -4.23 -1.26 -0.57 115.64 114.68 1jd2 s THR 21 Ca 0.12 0.08 -0.16 0.00 -1.18 0.00 0.00 61.69 60.54 1jd2 s THR 21 Cb -0.11 -0.29 0.13 0.00 1.34 0.00 0.00 72.50 73.57 1jd2 s THR 21 CO 0.01 0.03 0.54 -1.10 -0.54 0.00 0.00 174.62 173.57 1jd2 s GLN 22 N 0.62 3.01 7.31 3.99 -0.21 -0.66 -4.88 119.66 128.85 1jd2 s GLN 22 Ca -0.04 -1.65 0.00 0.00 0.02 0.00 0.00 55.36 53.69 1jd2 s GLN 22 Cb -0.06 -4.30 0.00 0.00 1.00 0.00 0.00 33.01 29.66 1jd2 s GLN 22 CO -0.03 -1.37 0.00 0.41 -2.12 0.00 0.00 175.29 172.18 1jd2 n GLY 23 N 5.24 2.42 1.10 3.09 0.00 -1.26 -2.06 105.19 113.71 1jd2 n GLY 23 Ca -0.13 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 45.69 1jd2 n GLY 23 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jd2 n PRO 24 N 13.07 2.40 -3.97 1.61 -0.04 -1.26 -4.88 135.00 141.93 1jd2 n PRO 24 Ca 0.00 -2.15 -0.35 0.00 -0.04 0.00 0.00 63.50 60.96 1jd2 n PRO 24 Cb 0.00 -1.49 -0.13 0.00 -0.04 0.00 0.00 33.50 31.84 1jd2 n PRO 24 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1jd2 s ILE 25 N -1.34 3.70 0.09 0.52 -1.09 -0.88 -5.06 121.20 117.15 1jd2 s ILE 25 Ca 0.40 -0.39 -0.31 0.00 -2.23 0.00 0.00 60.65 58.13 1jd2 s ILE 25 Cb 0.22 -2.69 -0.10 0.00 -1.58 0.00 0.00 42.46 38.31 1jd2 s ILE 25 CO 0.30 0.41 1.89 -0.69 -1.23 0.00 0.00 174.94 175.62 1jd2 s VAL 26 N 1.30 2.70 -0.13 2.92 1.01 -1.26 -1.65 120.40 125.29 1jd2 s VAL 26 Ca 0.04 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.09 1jd2 s VAL 26 Cb -0.15 -3.01 -0.23 0.00 0.00 0.00 0.00 36.38 32.99 1jd2 s VAL 26 CO -0.00 -0.00 0.32 0.00 0.00 0.00 0.00 175.10 175.42 1jd2 n ALA 27 N 6.40 1.27 -3.63 5.51 0.00 0.26 -4.86 120.51 125.46 1jd2 n ALA 27 Ca 0.19 -0.85 -0.24 0.00 0.00 0.00 0.00 53.44 52.54 1jd2 n ALA 27 Cb 0.39 -0.57 -0.17 0.00 0.00 0.00 0.00 19.45 19.10 1jd2 n ALA 27 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jd2 s ASP 28 N -6.40 1.86 0.00 0.00 3.68 -1.19 -5.00 116.67 109.63 1jd2 s ASP 28 Ca -0.17 -0.33 0.16 0.00 2.13 0.00 0.00 52.55 54.34 1jd2 s ASP 28 Cb 0.07 -0.19 0.83 0.00 -1.45 0.00 0.00 42.92 42.19 1jd2 s ASP 28 CO 0.77 -0.31 1.41 0.29 0.13 0.00 0.00 175.17 177.46 1jd2 n LYS 29 N 5.29 0.31 -2.71 4.34 5.02 -1.26 -2.54 118.16 126.61 1jd2 n LYS 29 Ca -0.05 0.09 -0.08 0.00 -2.02 0.00 0.00 58.31 56.25 1jd2 n LYS 29 Cb 0.49 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 34.10 1jd2 n LYS 29 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1jd2 n ASN 30 N -1.19 -2.08 -4.87 4.39 4.05 -1.13 -4.66 115.26 109.78 1jd2 n ASN 30 Ca 0.09 -3.21 -0.31 0.00 0.45 0.00 0.00 54.58 51.60 1jd2 n ASN 30 Cb 0.10 1.69 -0.05 0.00 1.23 0.00 0.00 39.78 42.75 1jd2 n ASN 30 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1jd2 s ALA 32 N -2.02 3.58 -1.24 0.00 0.00 -1.26 -4.53 121.76 116.29 1jd2 s ALA 32 Ca 0.49 0.05 0.12 0.00 0.00 0.00 0.00 51.96 52.63 1jd2 s ALA 32 Cb -0.11 -3.33 0.28 0.00 0.00 0.00 0.00 23.12 19.96 1jd2 s ALA 32 CO 0.24 -0.80 1.18 1.63 0.00 0.00 0.00 175.76 178.00 1jd2 n LYS 33 N 5.64 2.22 -4.32 0.00 5.02 -1.26 -4.93 118.16 120.53 1jd2 n LYS 33 Ca 0.07 -1.87 -0.34 0.00 -2.02 0.00 0.00 58.31 54.14 1jd2 n LYS 33 Cb 0.48 -1.29 -0.11 0.00 -0.02 0.00 0.00 35.03 34.09 1jd2 n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jd2 s LEU 34 N -1.02 3.45 -0.03 -0.35 1.02 -1.26 -2.24 118.68 118.24 1jd2 s LEU 34 Ca 0.23 -0.02 0.05 0.00 0.02 0.00 0.00 54.13 54.41 1jd2 s LEU 34 Cb 0.13 -1.83 -0.01 0.00 0.02 0.00 0.00 46.19 44.51 1jd2 s LEU 34 CO 0.18 0.23 -0.17 -1.00 0.02 0.00 0.00 176.35 175.60 1jd2 s HIS 35 N 0.02 1.65 -0.23 0.29 3.76 0.32 -4.97 115.29 116.12 1jd2 s HIS 35 Ca 0.02 -0.42 -0.22 0.00 -0.15 0.00 0.00 55.06 54.28 1jd2 s HIS 35 Cb -0.13 -1.10 -0.01 0.00 1.11 0.00 0.00 32.58 32.45 1jd2 s HIS 35 CO 0.02 -0.12 0.72 0.50 -0.85 0.00 0.00 174.74 175.02 1jd2 s ARG 36 N -0.10 4.17 -0.20 1.40 3.52 -1.26 -0.20 118.95 126.27 1jd2 s ARG 36 Ca -0.00 0.75 -0.16 0.00 -0.13 0.00 0.00 55.73 56.19 1jd2 s ARG 36 Cb -0.10 -3.63 -0.11 0.00 -1.56 0.00 0.00 34.95 29.55 1jd2 s ARG 36 CO 0.01 -0.42 -0.12 -0.89 -0.81 0.00 0.00 175.30 173.07 1jd2 n ILE 37 N 5.11 1.50 -4.02 4.11 5.41 -0.28 -4.85 119.36 126.33 1jd2 n ILE 37 Ca 0.02 -0.01 -0.08 0.00 1.00 0.00 0.00 62.75 63.68 1jd2 n ILE 37 Cb 0.48 -2.15 -0.09 0.00 -0.71 0.00 0.00 39.64 37.17 1jd2 n ILE 37 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1jd2 s SER 38 N -6.54 0.38 0.25 4.38 1.04 -1.05 -4.51 113.70 107.65 1jd2 s SER 38 Ca -0.27 -0.90 0.14 0.00 0.48 0.00 0.00 55.95 55.39 1jd2 s SER 38 Cb 0.07 0.24 0.89 0.00 0.10 0.00 0.00 66.02 67.32 1jd2 s SER 38 CO 0.44 -0.64 1.06 -2.65 0.98 0.00 0.00 173.24 172.43 1jd2 n PRO 39 N 0.06 -0.04 -0.18 4.02 -0.02 -1.26 -0.16 135.00 137.42 1jd2 n PRO 39 Ca -0.14 0.93 0.08 0.00 -2.02 0.00 0.00 63.50 62.35 1jd2 n PRO 39 Cb 0.61 -1.67 0.13 0.00 -0.02 0.00 0.00 33.50 32.56 1jd2 n PRO 39 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1jd2 n LYS 40 N -4.53 1.14 -3.88 -0.52 5.02 -1.26 -4.63 118.16 109.49 1jd2 n LYS 40 Ca 0.25 -2.44 -0.30 0.00 -2.02 0.00 0.00 58.31 53.80 1jd2 n LYS 40 Cb 0.86 -1.37 -0.15 0.00 -0.02 0.00 0.00 35.03 34.34 1jd2 n LYS 40 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1jd2 s ILE 41 N -2.53 1.45 0.05 -0.18 1.01 0.78 -1.14 121.20 120.64 1jd2 s ILE 41 Ca 0.29 -1.58 0.05 0.00 0.00 0.00 0.00 60.65 59.41 1jd2 s ILE 41 Cb 0.25 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 1jd2 s ILE 41 CO 0.02 -0.46 -0.05 0.26 0.00 0.00 0.00 174.94 174.70 1jd2 s TRP 42 N 1.36 2.89 0.03 3.97 0.52 -0.49 -1.13 118.94 126.09 1jd2 s TRP 42 Ca 0.05 -0.06 0.05 0.00 0.02 0.00 0.00 56.10 56.16 1jd2 s TRP 42 Cb -0.18 -1.55 -0.02 0.00 -1.15 0.00 0.00 33.47 30.57 1jd2 s TRP 42 CO -0.14 0.42 -0.15 0.00 0.02 0.00 0.00 176.95 177.10 1jd2 s ALA 44 N -0.73 2.02 0.03 0.00 0.00 0.08 0.12 121.76 123.27 1jd2 s ALA 44 Ca 0.03 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.88 1jd2 s ALA 44 Cb -0.07 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1jd2 s ALA 44 CO 0.01 0.49 0.04 0.20 0.00 0.00 0.00 175.76 176.50 1jd2 s GLY 45 N -0.71 0.22 0.15 0.00 0.00 -0.95 -0.22 107.32 105.81 1jd2 s GLY 45 Ca 0.10 -0.60 0.04 0.00 0.00 0.00 0.00 44.72 44.26 1jd2 s GLY 45 CO -0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 173.10 172.29 1jd2 s ALA 46 N -2.24 1.47 0.00 3.20 0.00 0.16 -4.92 121.76 119.43 1jd2 s ALA 46 Ca -0.08 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.37 1jd2 s ALA 46 Cb -0.04 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1jd2 s ALA 46 CO -0.03 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.02 1jd2 n GLY 47 N -0.21 0.19 3.68 0.00 0.00 -1.26 -1.32 105.19 106.27 1jd2 n GLY 47 Ca -0.10 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 1jd2 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jd2 s THR 48 N -0.36 3.42 0.18 2.61 2.01 -0.64 -4.89 115.64 117.98 1jd2 s THR 48 Ca 0.00 0.78 -0.18 0.00 0.31 0.00 0.00 61.69 62.60 1jd2 s THR 48 Cb 0.00 -3.50 0.14 0.00 0.01 0.00 0.00 72.50 69.15 1jd2 s THR 48 CO 0.00 -0.02 1.63 0.00 -0.69 0.00 0.00 174.62 175.54 1jd2 h ALA 49 N 8.40 0.15 -0.33 7.40 0.00 -1.93 -2.61 119.26 130.34 1jd2 h ALA 49 Ca -0.40 0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.75 1jd2 h ALA 49 Cb 1.19 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 19.42 1jd2 h ALA 49 CO 0.93 -0.54 -0.16 0.00 0.00 0.00 0.00 179.25 179.47 1jd2 h ALA 50 N 1.24 0.10 -0.60 0.00 0.00 -1.98 -2.79 119.26 115.24 1jd2 h ALA 50 Ca 0.23 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 1jd2 h ALA 50 Cb 0.45 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1jd2 h ALA 50 CO -0.55 -0.54 0.09 -0.44 0.00 0.00 0.00 179.25 177.81 1jd2 h ASP 51 N -0.11 0.92 -0.92 0.00 3.45 -1.86 0.87 116.42 118.77 1jd2 h ASP 51 Ca 0.17 -0.21 -0.01 0.00 0.43 0.00 0.00 57.03 57.41 1jd2 h ASP 51 Cb 0.37 -0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 38.85 1jd2 h ASP 51 CO -0.40 0.92 0.54 0.71 -1.57 0.00 0.00 179.24 179.45 1jd2 h THR 52 N 0.91 1.25 0.06 0.35 1.35 -1.22 -1.55 112.91 114.07 1jd2 h THR 52 Ca 0.18 -0.57 -0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1jd2 h THR 52 Cb 0.40 -0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.80 1jd2 h THR 52 CO 0.01 0.27 -0.03 -0.08 -0.25 0.00 0.00 175.52 175.44 1jd2 h GLU 53 N 1.27 -0.08 0.40 4.72 4.57 -1.20 -3.02 114.58 121.23 1jd2 h GLU 53 Ca 0.33 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.51 1jd2 h GLU 53 Cb -0.03 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 1jd2 h GLU 53 CO -0.06 0.43 -0.44 0.00 -1.18 0.00 0.00 179.01 177.76 1jd2 h ALA 54 N 0.22 -0.95 0.00 2.92 0.00 -0.75 0.35 119.26 121.05 1jd2 h ALA 54 Ca -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1jd2 h ALA 54 Cb 0.55 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1jd2 h ALA 54 CO 0.01 -1.08 -0.04 -0.24 0.00 0.00 0.00 179.25 177.91 1jd2 h VAL 55 N -0.87 0.55 -0.05 0.00 3.04 -1.43 0.06 116.25 117.55 1jd2 h VAL 55 Ca -0.04 -0.16 -0.09 0.00 -1.01 0.00 0.00 66.70 65.41 1jd2 h VAL 55 Cb 0.78 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 1jd2 h VAL 55 CO -0.09 0.04 -0.31 0.00 -1.01 0.00 0.00 177.57 176.20 1jd2 h THR 56 N 0.00 1.45 0.47 3.17 1.03 -1.15 -2.94 112.91 114.94 1jd2 h THR 56 Ca -0.00 -1.77 -0.02 0.00 -0.01 0.00 0.00 66.41 64.60 1jd2 h THR 56 Cb 0.10 2.43 0.00 0.00 -1.07 0.00 0.00 68.15 69.61 1jd2 h THR 56 CO 0.00 0.50 -0.22 1.56 -0.01 0.00 0.00 175.52 177.35 1jd2 h GLN 57 N -0.24 -0.61 -0.92 0.00 4.20 0.08 0.20 115.11 117.82 1jd2 h GLN 57 Ca -0.02 0.04 0.26 0.00 0.06 0.00 0.00 58.65 58.99 1jd2 h GLN 57 Cb 0.98 0.14 -0.16 0.00 0.30 0.00 0.00 27.48 28.74 1jd2 h GLN 57 CO 0.06 -0.30 0.16 1.25 -0.67 0.00 0.00 178.83 179.33 1jd2 h LEU 58 N -0.92 -0.20 -0.01 1.46 5.85 -1.15 0.55 115.31 120.89 1jd2 h LEU 58 Ca -0.06 0.24 -0.18 0.00 0.84 0.00 0.00 57.88 58.71 1jd2 h LEU 58 Cb 0.58 0.36 0.01 0.00 0.37 0.00 0.00 40.66 41.99 1jd2 h LEU 58 CO 0.11 -0.27 -0.70 0.40 -0.34 0.00 0.00 178.44 177.64 1jd2 h ILE 59 N 0.10 1.39 -0.98 4.05 5.03 -1.47 -1.88 117.51 123.74 1jd2 h ILE 59 Ca 0.59 -2.09 0.23 0.00 -0.12 0.00 0.00 64.86 63.47 1jd2 h ILE 59 Cb 1.23 2.50 -0.08 0.00 -3.03 0.00 0.00 36.82 37.44 1jd2 h ILE 59 CO -0.78 0.62 0.64 1.23 -0.68 0.00 0.00 178.15 179.18 1jd2 h GLY 60 N 0.04 1.04 0.33 5.37 0.00 0.21 0.31 103.07 110.37 1jd2 h GLY 60 Ca -0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1jd2 h GLY 60 CO 0.14 -0.06 -0.16 0.23 0.00 0.00 0.00 176.54 176.69 1jd2 h SER 61 N 0.42 -0.37 -0.68 0.19 0.87 -0.65 -0.15 113.55 113.18 1jd2 h SER 61 Ca 0.53 0.01 0.20 0.00 -1.23 0.00 0.00 61.79 61.30 1jd2 h SER 61 Cb 1.32 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.35 1jd2 h SER 61 CO -0.23 -0.12 0.60 0.78 -0.53 0.00 0.00 176.83 177.33 1jd2 h ASN 62 N -0.73 0.00 0.07 6.23 2.35 -0.59 -0.09 115.58 122.82 1jd2 h ASN 62 Ca -0.04 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1jd2 h ASN 62 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1jd2 h ASN 62 CO 0.07 0.00 -0.03 0.40 -1.65 0.00 0.00 177.43 176.22 1jd2 h ILE 63 N 0.00 0.94 -0.65 2.81 1.08 -0.37 -2.70 117.51 118.62 1jd2 h ILE 63 Ca 0.32 -1.49 0.11 0.00 -0.39 0.00 0.00 64.86 63.41 1jd2 h ILE 63 Cb 1.51 1.70 -0.12 0.00 -3.07 0.00 0.00 36.82 36.84 1jd2 h ILE 63 CO -0.00 0.29 -0.34 -0.08 -0.69 0.00 0.00 178.15 177.33 1jd2 h GLU 64 N -0.94 -0.13 0.22 2.37 4.81 0.78 0.12 114.58 121.81 1jd2 h GLU 64 Ca -0.01 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jd2 h GLU 64 Cb 0.54 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 1jd2 h GLU 64 CO 0.02 -0.09 -0.52 -0.07 -0.73 0.00 0.00 179.01 177.62 1jd2 h LEU 65 N -0.14 -1.52 -0.96 1.64 3.38 -1.36 -1.39 115.31 114.97 1jd2 h LEU 65 Ca 0.25 0.15 0.23 0.00 0.09 0.00 0.00 57.88 58.61 1jd2 h LEU 65 Cb 0.56 0.55 -0.18 0.00 0.09 0.00 0.00 40.66 41.67 1jd2 h LEU 65 CO -0.72 -0.58 -0.07 -0.74 0.09 0.00 0.00 178.44 176.42 1jd2 h HIS 66 N -0.81 -0.21 0.40 1.13 2.76 -0.69 0.21 115.15 117.94 1jd2 h HIS 66 Ca -0.02 0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 1jd2 h HIS 66 Cb 0.78 0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.98 1jd2 h HIS 66 CO -0.40 -0.41 -0.22 1.03 -1.30 0.00 0.00 177.93 176.63 1jd2 h SER 67 N 0.02 -0.54 -0.73 3.26 0.87 0.24 -2.14 113.55 114.52 1jd2 h SER 67 Ca 0.53 0.03 0.15 0.00 -1.23 0.00 0.00 61.79 61.28 1jd2 h SER 67 Cb 1.00 0.15 -0.10 0.00 -0.44 0.00 0.00 62.40 63.01 1jd2 h SER 67 CO -0.92 -0.36 0.22 -0.07 -0.53 0.00 0.00 176.83 175.17 1jd2 h LEU 68 N -0.58 0.11 -0.44 2.23 4.07 -0.03 0.48 115.31 121.14 1jd2 h LEU 68 Ca -0.05 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1jd2 h LEU 68 Cb 0.46 0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.36 1jd2 h LEU 68 CO 0.06 0.01 0.00 0.00 -1.08 0.00 0.00 178.44 177.43 1jd2 n TYR 69 N -5.10 0.41 -0.10 1.13 4.19 -0.40 -2.32 117.16 114.97 1jd2 n TYR 69 Ca 0.14 0.17 0.00 0.00 3.31 0.00 0.00 57.90 61.52 1jd2 n TYR 69 Cb 0.44 -0.77 0.00 0.00 0.49 0.00 0.00 39.34 39.50 1jd2 n TYR 69 CO 0.00 0.00 0.00 0.25 0.91 0.00 0.00 176.86 178.02 1jd2 n THR 70 N -1.88 0.54 -3.88 2.97 -2.24 0.13 -4.99 114.28 104.92 1jd2 n THR 70 Ca 0.02 -0.72 -0.30 0.00 -2.27 0.00 0.00 64.05 60.78 1jd2 n THR 70 Cb 0.16 0.77 -0.04 0.00 -2.10 0.00 0.00 70.33 69.12 1jd2 n THR 70 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1jd2 n SER 71 N -0.27 -2.52 -4.24 3.42 7.64 0.12 -4.91 113.62 112.87 1jd2 n SER 71 Ca 0.00 -0.72 -0.14 0.00 1.01 0.00 0.00 58.87 59.02 1jd2 n SER 71 Cb 0.17 -2.13 -0.10 0.00 -1.01 0.00 0.00 64.21 61.14 1jd2 n SER 71 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1jd2 s ARG 72 N -6.54 1.02 0.28 1.43 0.52 -1.20 -5.06 118.95 109.41 1jd2 s ARG 72 Ca 0.59 -1.41 -0.29 0.00 -0.52 0.00 0.00 55.73 54.10 1jd2 s ARG 72 Cb -0.33 -0.58 -0.09 0.00 0.52 0.00 0.00 34.95 34.46 1jd2 s ARG 72 CO 0.72 0.07 1.00 -1.21 0.02 0.00 0.00 175.30 175.90 1jd2 s GLU 73 N -3.65 4.67 0.98 3.54 0.41 -1.26 -4.69 118.70 118.70 1jd2 s GLU 73 Ca 0.15 1.56 -0.11 0.00 -0.41 0.00 0.00 54.97 56.16 1jd2 s GLU 73 Cb 0.02 -3.09 0.18 0.00 -1.78 0.00 0.00 34.13 29.46 1jd2 s GLU 73 CO 0.00 0.32 1.10 -2.14 -0.49 0.00 0.00 175.26 174.04 1jd2 s PRO 74 N -1.55 0.57 0.01 0.39 0.02 -1.26 -4.83 135.00 128.35 1jd2 s PRO 74 Ca 0.45 1.20 0.08 0.00 0.02 0.00 0.00 61.00 62.75 1jd2 s PRO 74 Cb -0.26 -1.70 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 1jd2 s PRO 74 CO 0.33 -2.83 -0.24 1.03 -0.33 0.00 0.00 177.00 174.96 1jd2 s ARG 75 N -4.66 1.84 0.11 5.54 0.52 -1.26 -4.68 118.95 116.36 1jd2 s ARG 75 Ca 0.66 -0.95 -0.21 0.00 -0.52 0.00 0.00 55.73 54.71 1jd2 s ARG 75 Cb -0.22 -1.87 -0.09 0.00 0.52 0.00 0.00 34.95 33.28 1jd2 s ARG 75 CO 0.60 0.50 1.75 0.28 0.02 0.00 0.00 175.30 178.45 1jd2 h VAL 76 N 4.42 0.99 -0.25 3.52 2.07 -1.92 -0.35 116.25 124.73 1jd2 h VAL 76 Ca -0.43 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.12 1jd2 h VAL 76 Cb 1.14 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1jd2 h VAL 76 CO 0.46 0.02 0.40 -0.37 0.02 0.00 0.00 177.57 178.10 1jd2 h VAL 77 N 0.11 0.24 0.20 2.57 -1.51 -1.98 0.25 116.25 116.12 1jd2 h VAL 77 Ca 0.05 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.51 1jd2 h VAL 77 Cb 0.02 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 29.83 1jd2 h VAL 77 CO -0.04 0.00 -0.09 0.28 -1.23 0.00 0.00 177.57 176.49 1jd2 h SER 78 N 0.00 -0.22 -0.74 4.19 0.02 -1.49 0.19 113.55 115.49 1jd2 h SER 78 Ca 0.12 -0.24 0.16 0.00 -0.84 0.00 0.00 61.79 60.99 1jd2 h SER 78 Cb 0.92 0.06 -0.11 0.00 0.14 0.00 0.00 62.40 63.41 1jd2 h SER 78 CO -0.00 0.32 0.20 0.00 -1.14 0.00 0.00 176.83 176.21 1jd2 h ALA 79 N -0.62 0.98 0.15 3.77 0.00 -0.55 0.25 119.26 123.25 1jd2 h ALA 79 Ca -0.03 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1jd2 h ALA 79 Cb 0.45 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1jd2 h ALA 79 CO 0.04 -0.32 -0.18 1.25 0.00 0.00 0.00 179.25 180.05 1jd2 h LEU 80 N 0.30 -0.49 -1.20 0.00 5.85 -0.55 0.61 115.31 119.82 1jd2 h LEU 80 Ca 0.42 0.04 0.16 0.00 0.84 0.00 0.00 57.88 59.34 1jd2 h LEU 80 Cb 0.71 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.82 1jd2 h LEU 80 CO -0.49 -0.22 0.60 -0.61 -0.34 0.00 0.00 178.44 177.37 1jd2 h GLN 81 N -0.33 0.70 -0.31 1.25 5.75 -0.38 0.21 115.11 121.99 1jd2 h GLN 81 Ca -0.02 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 1jd2 h GLN 81 Cb 0.29 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 1jd2 h GLN 81 CO -0.04 0.46 0.15 0.52 -2.65 0.00 0.00 178.83 177.28 1jd2 h MET 82 N 0.72 0.45 0.39 1.69 2.86 0.66 -1.63 114.93 120.07 1jd2 h MET 82 Ca 0.50 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 58.05 1jd2 h MET 82 Cb 0.80 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1jd2 h MET 82 CO -0.26 0.42 -0.19 -0.07 1.06 0.00 0.00 176.91 177.87 1jd2 h LEU 83 N 0.37 -0.44 -0.21 1.22 3.38 0.32 -3.02 115.31 116.92 1jd2 h LEU 83 Ca 0.11 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1jd2 h LEU 83 Cb 0.11 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1jd2 h LEU 83 CO -0.01 -0.15 -0.07 0.07 0.09 0.00 0.00 178.44 178.37 1jd2 h LYS 84 N -0.75 -0.02 -0.37 1.13 2.10 -0.82 -0.97 116.57 116.86 1jd2 h LYS 84 Ca -0.05 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1jd2 h LYS 84 Cb 0.51 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.83 1jd2 h LYS 84 CO 0.09 -0.01 0.25 1.96 -2.00 0.00 0.00 179.45 179.73 1jd2 h GLN 85 N -0.02 0.39 0.18 0.07 4.20 -1.38 0.27 115.11 118.82 1jd2 h GLN 85 Ca 0.11 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1jd2 h GLN 85 Cb 0.18 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1jd2 h GLN 85 CO -0.23 0.26 -0.09 1.25 -0.67 0.00 0.00 178.83 179.35 1jd2 h HIS 86 N 0.40 -0.23 0.09 2.96 2.76 -1.21 -1.72 115.15 118.21 1jd2 h HIS 86 Ca 0.15 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.32 1jd2 h HIS 86 Cb 0.10 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 1jd2 h HIS 86 CO -0.00 0.17 -0.12 -0.07 -1.30 0.00 0.00 177.93 176.61 1jd2 h LEU 87 N -0.70 -0.32 -1.21 0.26 3.38 -0.54 -1.28 115.31 114.90 1jd2 h LEU 87 Ca -0.02 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.10 1jd2 h LEU 87 Cb 0.50 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.29 1jd2 h LEU 87 CO 0.04 -0.18 0.58 0.15 0.09 0.00 0.00 178.44 179.12 1jd2 h PHE 88 N -0.25 0.92 -0.78 1.13 3.57 -0.57 0.11 116.94 121.07 1jd2 h PHE 88 Ca 0.01 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.66 1jd2 h PHE 88 Cb 0.25 -0.29 -0.09 0.00 2.79 0.00 0.00 35.95 38.61 1jd2 h PHE 88 CO -0.13 0.38 0.38 -0.22 -2.23 0.00 0.00 178.31 176.49 1jd2 h LYS 89 N 0.82 0.57 -1.00 1.11 3.64 -0.27 -1.78 116.57 119.67 1jd2 h LYS 89 Ca 0.44 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.70 1jd2 h LYS 89 Cb 0.54 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.18 1jd2 h LYS 89 CO -0.20 0.38 0.10 0.66 -2.27 0.00 0.00 179.45 178.12 1jd2 n TYR 90 N -4.89 0.50 -1.22 1.91 4.01 0.36 -4.88 117.16 112.95 1jd2 n TYR 90 Ca 0.14 -0.69 0.00 0.00 -0.16 0.00 0.00 57.90 57.20 1jd2 n TYR 90 Cb 0.37 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 1jd2 n TYR 90 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1jd2 n GLN 91 N 0.22 -1.46 -0.21 -0.72 1.13 -0.67 -0.30 117.38 115.37 1jd2 n GLN 91 Ca 0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 1jd2 n GLN 91 Cb 0.68 -2.75 0.00 0.00 0.11 0.00 0.00 30.24 28.28 1jd2 n GLN 91 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jd2 n GLY 93 N -0.16 0.70 0.13 1.08 0.00 -1.23 -4.93 105.19 100.77 1jd2 n GLY 93 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1jd2 n GLY 93 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jd2 n HIS 94 N -2.00 0.84 -2.98 1.61 8.25 0.59 -4.26 115.22 117.27 1jd2 n HIS 94 Ca 0.00 0.31 -0.44 0.00 -0.26 0.00 0.00 57.72 57.33 1jd2 n HIS 94 Cb 0.00 -1.00 -0.04 0.00 1.12 0.00 0.00 29.99 30.07 1jd2 n HIS 94 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1jd2 s ILE 95 N -3.27 4.57 -0.26 1.59 1.01 -1.26 -4.92 121.20 118.66 1jd2 s ILE 95 Ca 0.06 -0.68 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 1jd2 s ILE 95 Cb 0.10 -4.59 -0.02 0.00 0.01 0.00 0.00 42.46 37.95 1jd2 s ILE 95 CO 0.43 -1.30 1.33 0.61 0.00 0.00 0.00 174.94 176.02 1jd2 n GLY 96 N 5.31 2.02 3.35 6.18 0.00 -1.26 -4.71 105.19 116.07 1jd2 n GLY 96 Ca -0.06 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 1jd2 n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jd2 s ALA 97 N 4.08 2.87 -0.24 4.61 0.00 -1.26 -1.62 121.76 130.19 1jd2 s ALA 97 Ca 0.14 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1jd2 s ALA 97 Cb 0.04 -1.71 0.04 0.00 0.00 0.00 0.00 23.12 21.49 1jd2 s ALA 97 CO -0.01 -0.34 -0.11 0.71 0.00 0.00 0.00 175.76 176.01 1jd2 s TYR 98 N 1.32 3.10 0.07 0.00 2.02 -0.44 -1.28 117.35 122.15 1jd2 s TYR 98 Ca 0.04 -1.95 0.09 0.00 -0.37 0.00 0.00 57.07 54.88 1jd2 s TYR 98 Cb -0.14 -1.97 -0.03 0.00 -0.40 0.00 0.00 41.96 39.41 1jd2 s TYR 98 CO -0.01 -0.82 -0.23 -0.51 -1.57 0.00 0.00 175.55 172.40 1jd2 s LEU 99 N 1.21 2.22 -0.25 -1.29 1.43 0.17 -0.67 118.68 121.50 1jd2 s LEU 99 Ca -0.03 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.45 1jd2 s LEU 99 Cb -0.18 -1.09 0.03 0.00 0.03 0.00 0.00 46.19 44.99 1jd2 s LEU 99 CO -0.06 0.17 -0.06 -0.63 0.23 0.00 0.00 176.35 176.00 1jd2 s ILE 100 N -0.91 2.81 -0.09 -0.59 1.01 0.69 0.61 121.20 124.73 1jd2 s ILE 100 Ca 0.10 -1.11 0.04 0.00 0.00 0.00 0.00 60.65 59.68 1jd2 s ILE 100 Cb -0.10 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.91 1jd2 s ILE 100 CO 0.03 0.16 -0.22 0.54 0.00 0.00 0.00 174.94 175.45 1jd2 s VAL 101 N 1.30 2.31 0.29 2.92 0.11 -0.87 -0.74 120.40 125.72 1jd2 s VAL 101 Ca -0.01 -0.95 0.01 0.00 -2.93 0.00 0.00 61.98 58.10 1jd2 s VAL 101 Cb -0.17 -1.89 -0.00 0.00 -1.53 0.00 0.00 36.38 32.79 1jd2 s VAL 101 CO -0.04 0.56 0.36 0.00 -3.33 0.00 0.00 175.10 172.64 1jd2 n ALA 102 N 3.29 -0.00 0.00 1.54 0.00 -0.47 -1.59 120.51 123.27 1jd2 n ALA 102 Ca -0.18 -1.46 0.00 0.00 0.00 0.00 0.00 53.44 51.80 1jd2 n ALA 102 Cb 0.53 1.18 0.00 0.00 0.00 0.00 0.00 19.45 21.16 1jd2 n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jd2 n GLY 103 N -0.50 0.55 3.30 0.00 0.00 -1.10 -1.40 105.19 106.03 1jd2 n GLY 103 Ca 0.02 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 1jd2 n GLY 103 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jd2 s VAL 104 N -1.76 1.93 0.24 1.61 -7.23 -0.29 -2.31 120.40 112.59 1jd2 s VAL 104 Ca 0.00 -1.22 -0.14 0.00 -1.81 0.00 0.00 61.98 58.81 1jd2 s VAL 104 Cb 0.00 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.30 1jd2 s VAL 104 CO 0.00 0.38 0.51 1.51 -0.31 0.00 0.00 175.10 177.19 1jd2 s ASP 105 N -1.00 -0.13 0.44 4.85 3.84 -0.94 -4.73 116.67 118.99 1jd2 s ASP 105 Ca 0.10 -0.82 0.33 0.00 -0.00 0.00 0.00 52.55 52.16 1jd2 s ASP 105 Cb -0.09 0.60 1.12 0.00 -1.38 0.00 0.00 42.92 43.16 1jd2 s ASP 105 CO 0.01 -1.14 1.12 -2.65 -0.00 0.00 0.00 175.17 172.51 1jd2 n PRO 105 N -0.38 0.00 0.02 2.11 -0.02 -1.26 -0.28 135.00 135.20 1jd2 n PRO 105 Ca -0.03 0.81 0.12 0.00 -2.02 0.00 0.00 63.50 62.38 1jd2 n PRO 105 Cb 0.62 -1.92 0.25 0.00 -0.02 0.00 0.00 33.50 32.43 1jd2 n PRO 105 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1jd2 n THR 106 N -3.23 0.10 0.00 3.45 -2.24 -1.26 -5.05 114.28 106.04 1jd2 n THR 106 Ca 0.29 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1jd2 n THR 106 Cb 1.42 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 1jd2 n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jd2 n GLY 107 N 1.45 0.90 3.96 3.38 0.00 0.62 -5.10 105.19 110.41 1jd2 n GLY 107 Ca 0.05 -1.89 -0.23 0.00 0.00 0.00 0.00 46.02 43.95 1jd2 n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jd2 s SER 108 N -4.00 6.33 -0.01 1.61 1.04 -1.26 -2.22 113.70 115.19 1jd2 s SER 108 Ca 0.00 0.11 -0.18 0.00 0.48 0.00 0.00 55.95 56.36 1jd2 s SER 108 Cb 0.00 -1.88 0.03 0.00 0.10 0.00 0.00 66.02 64.27 1jd2 s SER 108 CO 0.00 -0.03 0.38 -1.00 0.98 0.00 0.00 173.24 173.57 1jd2 s HIS 109 N -1.90 -0.26 -0.12 5.02 3.76 -0.98 -5.01 115.29 115.80 1jd2 s HIS 109 Ca 0.34 0.37 -0.06 0.00 -0.15 0.00 0.00 55.06 55.56 1jd2 s HIS 109 Cb -0.10 0.16 0.05 0.00 1.11 0.00 0.00 32.58 33.81 1jd2 s HIS 109 CO 0.29 -0.46 0.28 -1.17 -0.85 0.00 0.00 174.74 172.83 1jd2 s LEU 110 N -1.47 0.24 0.28 0.89 2.96 -1.26 -2.72 118.68 117.60 1jd2 s LEU 110 Ca -0.11 0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 54.36 1jd2 s LEU 110 Cb -0.03 0.85 -0.01 0.00 0.50 0.00 0.00 46.19 47.50 1jd2 s LEU 110 CO 0.04 -0.18 0.38 -0.36 -1.32 0.00 0.00 176.35 174.91 1jd2 s PHE 111 N 1.41 0.94 0.05 5.38 0.08 -0.62 -3.89 117.98 121.32 1jd2 s PHE 111 Ca -0.08 -1.18 0.02 0.00 0.12 0.00 0.00 56.93 55.80 1jd2 s PHE 111 Cb -0.10 -0.16 -0.03 0.00 -0.57 0.00 0.00 43.02 42.16 1jd2 s PHE 111 CO -0.09 -0.96 -0.06 -1.54 -0.10 0.00 0.00 175.22 172.46 1jd2 s SER 112 N -3.17 0.74 -0.04 1.36 1.04 0.92 -2.05 113.70 112.50 1jd2 s SER 112 Ca 0.31 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1jd2 s SER 112 Cb 0.01 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.23 1jd2 s SER 112 CO 0.16 -0.28 -0.02 -0.63 0.98 0.00 0.00 173.24 173.45 1jd2 s ILE 113 N -1.83 0.36 0.06 -1.02 1.01 0.20 -1.40 121.20 118.59 1jd2 s ILE 113 Ca -0.08 0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.55 1jd2 s ILE 113 Cb -0.07 -0.44 -0.05 0.00 0.01 0.00 0.00 42.46 41.92 1jd2 s ILE 113 CO -0.01 0.20 0.28 -1.00 0.00 0.00 0.00 174.94 174.40 1jd2 s HIS 114 N 1.16 3.53 -0.65 3.97 3.76 -0.54 -0.65 115.29 125.86 1jd2 s HIS 114 Ca -0.08 0.45 0.00 0.00 -0.15 0.00 0.00 55.06 55.28 1jd2 s HIS 114 Cb -0.14 -1.91 0.00 0.00 1.11 0.00 0.00 32.58 31.64 1jd2 s HIS 114 CO -0.02 0.55 0.81 0.00 -0.85 0.00 0.00 174.74 175.24 1jd2 n ALA 115 N 0.53 0.65 1.04 -1.40 0.00 -0.41 0.87 120.51 121.79 1jd2 n ALA 115 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.49 1jd2 n ALA 115 Cb 0.52 -0.64 0.21 0.00 0.00 0.00 0.00 19.45 19.54 1jd2 n ALA 115 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jd2 n HIS 116 N -1.31 0.00 -0.21 0.00 8.25 -1.26 -3.53 115.22 117.16 1jd2 n HIS 116 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1jd2 n HIS 116 Cb 0.18 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1jd2 n HIS 116 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jd2 n GLY 117 N 1.47 1.59 3.61 -1.41 0.00 0.25 -3.98 105.19 106.71 1jd2 n GLY 117 Ca 0.07 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1jd2 n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jd2 s SER 118 N -2.10 4.68 0.22 1.61 1.04 -1.21 -4.75 113.70 113.21 1jd2 s SER 118 Ca 0.00 -0.13 0.11 0.00 0.48 0.00 0.00 55.95 56.40 1jd2 s SER 118 Cb 0.00 -1.11 -0.04 0.00 0.10 0.00 0.00 66.02 64.97 1jd2 s SER 118 CO 0.00 0.28 -0.15 0.42 0.98 0.00 0.00 173.24 174.77 1jd2 s THR 119 N -1.01 2.79 0.06 2.02 -4.23 -1.26 -1.46 115.64 112.55 1jd2 s THR 119 Ca 0.17 -2.01 -0.05 0.00 -1.18 0.00 0.00 61.69 58.63 1jd2 s THR 119 Cb -0.11 -2.41 -0.02 0.00 1.34 0.00 0.00 72.50 71.30 1jd2 s THR 119 CO 0.08 -0.23 0.08 -1.81 -0.54 0.00 0.00 174.62 172.20 1jd2 s ASP 120 N -3.09 0.29 0.07 3.99 1.01 -0.49 -4.94 116.67 113.50 1jd2 s ASP 120 Ca 0.26 -0.78 0.02 0.00 0.71 0.00 0.00 52.55 52.77 1jd2 s ASP 120 Cb -0.07 0.26 -0.03 0.00 1.01 0.00 0.00 42.92 44.09 1jd2 s ASP 120 CO 0.14 -0.63 -0.08 0.54 0.21 0.00 0.00 175.17 175.35 1jd2 s VAL 121 N -3.65 0.66 0.00 -1.27 0.11 -1.26 -0.06 120.40 114.94 1jd2 s VAL 121 Ca 0.04 -1.42 0.00 0.00 -2.93 0.00 0.00 61.98 57.67 1jd2 s VAL 121 Cb 0.05 -1.05 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1jd2 s VAL 121 CO -0.09 -0.54 0.00 0.61 -3.33 0.00 0.00 175.10 171.74 1jd2 n GLY 122 N 0.89 -0.90 0.01 6.54 0.00 -1.25 -5.00 105.19 105.47 1jd2 n GLY 122 Ca -0.19 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 44.93 1jd2 n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jd2 n TYR 123 N -0.11 0.10 -3.64 1.61 4.02 -1.26 -4.73 117.16 113.14 1jd2 n TYR 123 Ca 0.00 0.03 -0.14 0.00 -0.01 0.00 0.00 57.90 57.78 1jd2 n TYR 123 Cb 0.00 -0.34 -0.07 0.00 -0.02 0.00 0.00 39.34 38.90 1jd2 n TYR 123 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 1jd2 s TYR 124 N -3.03 -0.75 0.16 -0.72 1.13 -1.26 -0.36 117.35 112.52 1jd2 s TYR 124 Ca 0.10 1.84 -0.15 0.00 -1.41 0.00 0.00 57.07 57.46 1jd2 s TYR 124 Cb 0.17 0.26 0.02 0.00 -1.10 0.00 0.00 41.96 41.31 1jd2 s TYR 124 CO 0.69 -0.36 0.41 -0.51 -2.51 0.00 0.00 175.55 173.27 1jd2 s LEU 125 N 0.37 0.46 0.10 -3.49 1.43 -0.64 -4.98 118.68 111.92 1jd2 s LEU 125 Ca -0.00 -0.52 -0.22 0.00 -1.03 0.00 0.00 54.13 52.36 1jd2 s LEU 125 Cb -0.05 1.76 0.06 0.00 0.03 0.00 0.00 46.19 47.99 1jd2 s LEU 125 CO 0.01 -0.93 0.53 -0.94 0.23 0.00 0.00 176.35 175.25 1jd2 s SER 126 N -2.87 -0.45 0.08 2.29 1.04 -1.26 -1.36 113.70 111.17 1jd2 s SER 126 Ca 0.09 0.04 -0.20 0.00 0.48 0.00 0.00 55.95 56.35 1jd2 s SER 126 Cb 0.01 0.53 0.05 0.00 0.10 0.00 0.00 66.02 66.71 1jd2 s SER 126 CO -0.06 -0.83 0.47 -0.76 0.98 0.00 0.00 173.24 173.04 1jd2 s LEU 127 N -2.39 0.12 0.00 2.42 1.43 0.06 -4.94 118.68 115.38 1jd2 s LEU 127 Ca -0.02 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1jd2 s LEU 127 Cb -0.00 2.00 0.00 0.00 0.03 0.00 0.00 46.19 48.22 1jd2 s LEU 127 CO -0.07 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.36 1jd2 n GLY 128 N 0.20 1.56 0.29 -3.19 0.00 -1.26 -1.70 105.19 101.10 1jd2 n GLY 128 Ca -0.18 -2.23 0.20 0.00 0.00 0.00 0.00 46.02 43.81 1jd2 n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jd2 h SER 129 N 0.00 0.00 -0.36 1.61 4.64 -1.42 0.39 113.55 118.41 1jd2 h SER 129 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jd2 h SER 129 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1jd2 h SER 129 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1jd2 n GLY 130 N -0.79 1.33 0.40 -0.77 0.00 -0.68 -4.56 105.19 100.13 1jd2 n GLY 130 Ca -0.02 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 1jd2 n GLY 130 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1jd2 h SER 131 N 3.65 -1.50 -0.87 1.61 0.87 -0.42 -1.98 113.55 114.91 1jd2 h SER 131 Ca 0.00 0.22 0.07 0.00 -1.23 0.00 0.00 61.79 60.85 1jd2 h SER 131 Cb 0.81 0.65 -0.06 0.00 -0.44 0.00 0.00 62.40 63.36 1jd2 h SER 131 CO 0.00 -0.38 0.56 -0.07 -0.53 0.00 0.00 176.83 176.42 1jd2 h LEU 132 N -0.34 0.84 0.82 2.23 4.07 -1.80 -1.12 115.31 120.01 1jd2 h LEU 132 Ca 0.13 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 58.06 1jd2 h LEU 132 Cb 0.59 -0.17 0.01 0.00 1.08 0.00 0.00 40.66 42.17 1jd2 h LEU 132 CO -0.58 0.53 -0.39 0.00 -1.08 0.00 0.00 178.44 176.92 1jd2 h ALA 133 N 1.54 -1.10 0.62 1.53 0.00 -1.69 -2.35 119.26 117.80 1jd2 h ALA 133 Ca 0.38 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1jd2 h ALA 133 Cb 0.25 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1jd2 h ALA 133 CO -0.14 -1.06 -0.49 0.00 0.00 0.00 0.00 179.25 177.56 1jd2 h ALA 134 N -1.15 -1.17 -1.69 0.00 0.00 -1.30 -1.48 119.26 112.46 1jd2 h ALA 134 Ca -0.11 -0.21 0.50 0.00 0.00 0.00 0.00 54.91 55.08 1jd2 h ALA 134 Cb 0.85 0.67 -0.08 0.00 0.00 0.00 0.00 17.79 19.24 1jd2 h ALA 134 CO 0.19 -1.19 1.21 1.98 0.00 0.00 0.00 179.25 181.43 1jd2 h MET 135 N -1.08 0.01 0.46 0.00 -1.53 -1.26 2.19 114.93 113.73 1jd2 h MET 135 Ca -0.08 -0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.16 1jd2 h MET 135 Cb 0.90 -0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.96 1jd2 h MET 135 CO 0.01 0.01 -0.22 0.00 0.14 0.00 0.00 176.91 176.84 1jd2 h ALA 136 N 1.18 -0.62 -0.47 0.39 0.00 -0.71 -0.27 119.26 118.76 1jd2 h ALA 136 Ca 0.83 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.63 1jd2 h ALA 136 Cb 3.23 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 21.20 1jd2 h ALA 136 CO -0.06 -0.75 0.11 0.28 0.00 0.00 0.00 179.25 178.84 1jd2 h VAL 137 N -0.82 0.76 0.20 0.00 2.07 0.38 0.03 116.25 118.86 1jd2 h VAL 137 Ca -0.06 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1jd2 h VAL 137 Cb 0.56 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1jd2 h VAL 137 CO 0.10 0.05 -0.25 -0.07 0.02 0.00 0.00 177.57 177.42 1jd2 h LEU 138 N 0.25 -0.69 -2.83 2.57 3.38 -0.79 0.15 115.31 117.35 1jd2 h LEU 138 Ca 0.23 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 1jd2 h LEU 138 Cb 0.29 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1jd2 h LEU 138 CO -0.29 -0.36 -0.00 -0.33 0.09 0.00 0.00 178.44 177.55 1jd2 h GLU 139 N -0.51 0.00 0.00 1.13 4.39 -0.54 -1.73 114.58 117.33 1jd2 h GLU 139 Ca 0.01 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.48 1jd2 h GLU 139 Cb 0.49 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 1jd2 h GLU 139 CO -0.09 0.00 -1.39 0.77 -1.16 0.00 0.00 179.01 177.14 1jd2 h SER 140 N 0.00 0.00 0.00 1.42 0.02 0.12 -3.41 113.55 111.69 1jd2 h SER 140 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jd2 h SER 140 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1jd2 h SER 140 CO 0.00 0.87 0.00 1.41 -1.14 0.00 0.00 176.83 177.97 1jd2 n HIS 141 N -3.09 0.00 -1.68 3.45 8.25 0.06 -5.07 115.22 117.13 1jd2 n HIS 141 Ca -0.10 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.05 1jd2 n HIS 141 Cb 0.96 0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.10 1jd2 n HIS 141 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 1jd2 s TRP 142 N -0.02 3.23 0.07 4.41 -0.00 -0.69 -5.06 118.94 120.88 1jd2 s TRP 142 Ca 0.00 1.40 -0.27 0.00 -0.00 0.00 0.00 56.10 57.23 1jd2 s TRP 142 Cb 0.00 -2.85 0.09 0.00 -0.00 0.00 0.00 33.47 30.71 1jd2 s TRP 142 CO 0.00 -1.08 0.83 -1.59 -0.00 0.00 0.00 176.95 175.11 1jd2 s LYS 143 N -5.00 1.02 0.63 5.86 -2.85 -1.26 -5.04 119.74 113.10 1jd2 s LYS 143 Ca 0.58 -0.42 -0.11 0.00 -1.00 0.00 0.00 55.97 55.02 1jd2 s LYS 143 Cb -0.13 0.44 -0.03 0.00 -2.06 0.00 0.00 37.83 36.04 1jd2 s LYS 143 CO 0.53 -0.45 1.04 -1.14 0.10 0.00 0.00 175.35 175.43 1jd2 s GLN 144 N -3.32 3.49 -0.72 1.78 0.74 -1.26 -4.34 119.66 116.04 1jd2 s GLN 144 Ca 0.05 0.77 -0.02 0.00 0.05 0.00 0.00 55.36 56.21 1jd2 s GLN 144 Cb -0.01 -2.07 0.00 0.00 1.10 0.00 0.00 33.01 32.03 1jd2 s GLN 144 CO -0.08 -0.65 0.61 -0.25 -0.55 0.00 0.00 175.29 174.37 1jd2 n ASP 145 N -2.81 -3.13 -4.77 6.67 10.43 -1.26 -5.02 116.55 116.66 1jd2 n ASP 145 Ca 0.06 -0.33 -0.38 0.00 2.57 0.00 0.00 54.79 56.71 1jd2 n ASP 145 Cb 0.54 -3.10 -0.06 0.00 1.84 0.00 0.00 41.12 40.34 1jd2 n ASP 145 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1jd2 s LEU 146 N -4.52 4.48 0.00 0.64 1.43 -1.26 -4.83 118.68 114.62 1jd2 s LEU 146 Ca 0.15 1.80 -0.07 0.00 -1.03 0.00 0.00 54.13 54.98 1jd2 s LEU 146 Cb -0.07 -3.73 0.18 0.00 0.03 0.00 0.00 46.19 42.60 1jd2 s LEU 146 CO 0.41 0.06 1.13 0.35 0.23 0.00 0.00 176.35 178.53 1jd2 n THR 147 N 1.03 0.00 -0.26 5.49 -2.24 -1.26 -1.78 114.28 115.25 1jd2 n THR 147 Ca -0.01 -1.31 -0.06 0.00 -2.27 0.00 0.00 64.05 60.40 1jd2 n THR 147 Cb 0.49 -1.16 0.05 0.00 -2.10 0.00 0.00 70.33 67.62 1jd2 n THR 147 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1jd2 h LYS 148 N 0.00 1.03 0.05 -0.78 3.64 -1.97 -1.43 116.57 117.12 1jd2 h LYS 148 Ca -0.37 -0.15 -0.23 0.00 -1.27 0.00 0.00 60.65 58.63 1jd2 h LYS 148 Cb 1.20 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1jd2 h LYS 148 CO 0.33 0.81 -1.05 0.93 -2.27 0.00 0.00 179.45 178.20 1jd2 h GLU 149 N 1.01 0.15 -0.22 1.90 3.07 -1.99 -2.22 114.58 116.27 1jd2 h GLU 149 Ca 0.25 -0.22 -0.12 0.00 -0.50 0.00 0.00 59.36 58.77 1jd2 h GLU 149 Cb 0.11 0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1jd2 h GLU 149 CO -0.03 1.06 -0.32 0.93 -1.40 0.00 0.00 179.01 179.25 1jd2 h GLU 150 N 0.05 0.61 0.24 2.33 5.08 -1.92 -2.71 114.58 118.27 1jd2 h GLU 150 Ca -0.06 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1jd2 h GLU 150 Cb 1.77 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1jd2 h GLU 150 CO 0.16 0.97 -0.12 0.00 -1.00 0.00 0.00 179.01 179.02 1jd2 h ALA 151 N 0.64 -0.32 -0.77 3.43 0.00 -1.32 -0.99 119.26 119.92 1jd2 h ALA 151 Ca 0.02 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.00 1jd2 h ALA 151 Cb 0.90 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 1jd2 h ALA 151 CO 0.07 -0.67 0.30 0.82 0.00 0.00 0.00 179.25 179.78 1jd2 h ILE 152 N -0.36 0.63 0.19 0.00 2.04 -1.39 0.18 117.51 118.79 1jd2 h ILE 152 Ca -0.03 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1jd2 h ILE 152 Cb 0.27 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1jd2 h ILE 152 CO 0.05 0.08 -0.14 0.50 0.00 0.00 0.00 178.15 178.64 1jd2 h LYS 153 N 0.43 -0.32 -0.24 2.37 3.11 -1.21 0.44 116.57 121.15 1jd2 h LYS 153 Ca 0.43 0.02 0.05 0.00 -2.81 0.00 0.00 60.65 58.35 1jd2 h LYS 153 Cb 0.68 0.07 -0.08 0.00 -1.00 0.00 0.00 32.23 31.91 1jd2 h LYS 153 CO -0.43 -0.21 -0.41 1.25 -2.81 0.00 0.00 179.45 176.84 1jd2 h LEU 154 N -0.33 -1.30 -0.94 5.20 5.85 0.54 0.47 115.31 124.79 1jd2 h LEU 154 Ca -0.01 0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1jd2 h LEU 154 Cb 0.30 0.55 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 1jd2 h LEU 154 CO -0.01 -0.39 0.61 0.00 -0.34 0.00 0.00 178.44 178.32 1jd2 h ALA 155 N 0.29 1.25 0.93 1.25 0.00 -0.61 -2.04 119.26 120.33 1jd2 h ALA 155 Ca 0.10 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1jd2 h ALA 155 Cb 0.60 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1jd2 h ALA 155 CO -0.46 0.49 -0.45 1.03 0.00 0.00 0.00 179.25 179.86 1jd2 h SER 156 N 1.19 -1.06 -0.95 0.00 0.87 0.16 -2.55 113.55 111.21 1jd2 h SER 156 Ca 0.38 0.03 0.17 0.00 -1.23 0.00 0.00 61.79 61.14 1jd2 h SER 156 Cb 0.01 0.27 -0.17 0.00 -0.44 0.00 0.00 62.40 62.07 1jd2 h SER 156 CO -0.12 -0.72 -0.30 0.44 -0.53 0.00 0.00 176.83 175.60 1jd2 h ASP 157 N -1.32 -1.10 -0.94 6.23 3.45 -0.04 0.11 116.42 122.82 1jd2 h ASP 157 Ca -0.13 0.29 0.11 0.00 0.43 0.00 0.00 57.03 57.74 1jd2 h ASP 157 Cb 0.96 0.65 -0.08 0.00 -0.56 0.00 0.00 39.33 40.30 1jd2 h ASP 157 CO 0.21 -0.31 0.57 0.00 -1.57 0.00 0.00 179.24 178.14 1jd2 h ALA 158 N 1.69 1.39 -0.07 3.45 0.00 -1.18 -0.61 119.26 123.93 1jd2 h ALA 158 Ca 0.40 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1jd2 h ALA 158 Cb 0.65 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jd2 h ALA 158 CO -0.97 0.17 -0.03 0.82 0.00 0.00 0.00 179.25 179.24 1jd2 h ILE 159 N 0.91 1.31 -0.96 0.00 1.08 -0.40 -2.81 117.51 116.64 1jd2 h ILE 159 Ca 0.46 -0.99 0.24 0.00 -0.39 0.00 0.00 64.86 64.18 1jd2 h ILE 159 Cb 0.46 1.83 -0.13 0.00 -3.07 0.00 0.00 36.82 35.91 1jd2 h ILE 159 CO -0.27 0.28 0.51 1.56 -0.69 0.00 0.00 178.15 179.53 1jd2 h GLN 160 N -0.22 0.47 -0.31 2.37 4.20 -0.29 0.65 115.11 121.99 1jd2 h GLN 160 Ca 0.02 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.77 1jd2 h GLN 160 Cb 0.45 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.06 1jd2 h GLN 160 CO 0.01 0.31 -0.13 0.00 -0.67 0.00 0.00 178.83 178.35 1jd2 h ALA 161 N 1.73 0.13 -0.02 3.87 0.00 -0.91 -1.61 119.26 122.45 1jd2 h ALA 161 Ca 0.61 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.65 1jd2 h ALA 161 Cb 1.18 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1jd2 h ALA 161 CO -0.51 -0.52 -0.02 0.78 0.00 0.00 0.00 179.25 178.99 1jd2 h GLY 162 N -0.08 0.00 0.08 0.00 0.00 0.46 -2.08 103.07 101.46 1jd2 h GLY 162 Ca 0.16 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.52 1jd2 h GLY 162 CO -0.37 -0.02 -0.53 -2.22 0.00 0.00 0.00 176.54 173.40 1jd2 h ILE 163 N -0.02 0.01 -0.71 2.60 2.04 -0.43 0.16 117.51 121.14 1jd2 h ILE 163 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1jd2 h ILE 163 Cb 0.04 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.09 1jd2 h ILE 163 CO -0.03 0.00 0.46 -0.50 0.00 0.00 0.00 178.15 178.08 1jd2 h TRP 164 N -0.73 0.91 -0.58 1.37 -0.00 -1.30 -3.25 115.95 112.38 1jd2 h TRP 164 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.91 1jd2 h TRP 164 Cb 0.75 -0.31 0.00 0.00 -0.00 0.00 0.00 29.16 29.60 1jd2 h TRP 164 CO -0.48 0.59 0.00 0.09 -0.00 0.00 0.00 178.44 178.64 1jd2 n ASN 165 N -4.57 3.66 -3.63 -3.49 5.03 -0.79 -4.89 115.26 106.58 1jd2 n ASN 165 Ca 0.06 -2.06 -0.22 0.00 0.87 0.00 0.00 54.58 53.23 1jd2 n ASN 165 Cb 0.03 -0.41 -0.17 0.00 -1.02 0.00 0.00 39.78 38.21 1jd2 n ASN 165 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1jd2 s ASP 166 N -1.02 1.65 0.53 6.41 2.15 0.54 -5.01 116.67 121.91 1jd2 s ASP 166 Ca 0.40 -0.22 0.23 0.00 0.43 0.00 0.00 52.55 53.39 1jd2 s ASP 166 Cb 0.22 -0.08 1.38 0.00 -0.30 0.00 0.00 42.92 44.13 1jd2 s ASP 166 CO 0.26 -0.30 2.03 -0.07 -0.17 0.00 0.00 175.17 176.92 1jd2 h LEU 167 N 8.41 0.00 0.00 -1.34 3.38 -1.83 0.24 115.31 124.17 1jd2 h LEU 167 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1jd2 h LEU 167 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1jd2 h LEU 167 CO 0.22 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.36 1jd2 n GLY 168 N -1.61 -0.90 3.19 0.83 0.00 -1.26 -4.80 105.19 100.63 1jd2 n GLY 168 Ca 0.07 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 1jd2 n GLY 168 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jd2 s SER 169 N -1.90 1.55 0.00 1.61 0.01 0.07 -1.11 113.70 113.94 1jd2 s SER 169 Ca 0.38 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.83 1jd2 s SER 169 Cb 0.18 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.40 1jd2 s SER 169 CO 0.30 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.31 1jd2 n GLY 170 N 0.54 -1.59 7.00 3.44 0.00 -1.26 -4.61 105.19 108.71 1jd2 n GLY 170 Ca -0.16 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1jd2 n GLY 170 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jd2 n SER 171 N 1.08 0.00 -5.01 1.61 7.64 -1.26 -2.37 113.62 115.31 1jd2 n SER 171 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 1jd2 n SER 171 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 1jd2 n SER 171 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1jd2 s ASN 172 N -4.00 5.58 -0.18 6.43 0.02 -1.26 -4.39 114.94 117.14 1jd2 s ASN 172 Ca 0.00 -0.44 -0.00 0.00 -1.02 0.00 0.00 52.86 51.40 1jd2 s ASN 172 Cb 0.00 -0.58 0.01 0.00 0.02 0.00 0.00 41.25 40.70 1jd2 s ASN 172 CO 0.00 -0.85 -0.15 -0.69 0.02 0.00 0.00 177.10 175.43 1jd2 s VAL 173 N -2.41 2.53 -0.08 1.60 1.01 -0.54 -2.78 120.40 119.72 1jd2 s VAL 173 Ca 0.56 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 1jd2 s VAL 173 Cb -0.10 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1jd2 s VAL 173 CO 0.34 0.51 0.11 -1.81 0.00 0.00 0.00 175.10 174.24 1jd2 s ASP 174 N 1.18 6.02 0.01 3.32 1.01 -0.20 -0.71 116.67 127.31 1jd2 s ASP 174 Ca 0.02 0.34 0.00 0.00 0.71 0.00 0.00 52.55 53.61 1jd2 s ASP 174 Cb -0.14 -1.86 -0.01 0.00 1.01 0.00 0.00 42.92 41.91 1jd2 s ASP 174 CO -0.07 0.37 -0.03 -0.69 0.21 0.00 0.00 175.17 174.96 1jd2 s VAL 175 N -1.06 0.12 -0.01 -1.27 1.01 -0.53 -1.70 120.40 116.97 1jd2 s VAL 175 Ca 0.17 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1jd2 s VAL 175 Cb -0.12 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.06 1jd2 s VAL 175 CO 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 175.10 174.85 1jd2 s VAL 177 N 0.41 2.04 -0.25 0.00 1.01 -0.21 -1.88 120.40 121.52 1jd2 s VAL 177 Ca -0.04 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 60.96 1jd2 s VAL 177 Cb -0.06 -1.77 0.06 0.00 0.00 0.00 0.00 36.38 34.60 1jd2 s VAL 177 CO -0.01 0.55 -0.09 -0.04 0.00 0.00 0.00 175.10 175.52 1jd2 s MET 178 N 0.42 2.01 0.13 2.72 -1.94 0.04 -1.52 119.30 121.16 1jd2 s MET 178 Ca -0.17 -1.19 0.06 0.00 -1.71 0.00 0.00 55.69 52.67 1jd2 s MET 178 Cb -0.18 -2.76 -0.04 0.00 2.01 0.00 0.00 34.83 33.86 1jd2 s MET 178 CO 0.07 -0.57 0.01 -2.00 -0.01 0.00 0.00 175.02 172.52 1jd2 s GLU 179 N 1.22 2.51 0.24 2.03 2.12 -1.26 -0.59 118.70 124.96 1jd2 s GLU 179 Ca -0.07 -0.94 -0.06 0.00 0.36 0.00 0.00 54.97 54.26 1jd2 s GLU 179 Cb -0.19 -2.48 0.43 0.00 0.26 0.00 0.00 34.13 32.15 1jd2 s GLU 179 CO -0.06 0.50 1.70 0.82 -0.54 0.00 0.00 175.26 177.69 1jd2 h ILE 180 N 2.68 0.58 -0.01 -3.70 2.04 -1.83 -3.20 117.51 114.07 1jd2 h ILE 180 Ca -0.48 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1jd2 h ILE 180 Cb 1.18 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1jd2 h ILE 180 CO 0.59 0.06 -0.15 0.61 0.00 0.00 0.00 178.15 179.26 1jd2 n GLY 181 N -1.34 -0.19 3.95 5.37 0.00 -1.26 -4.96 105.19 106.77 1jd2 n GLY 181 Ca 0.13 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 1jd2 n GLY 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jd2 s LYS 182 N -1.28 2.46 0.68 1.61 1.02 -1.21 -5.11 119.74 117.91 1jd2 s LYS 182 Ca 0.10 -1.62 -0.11 0.00 0.02 0.00 0.00 55.97 54.36 1jd2 s LYS 182 Cb 0.09 -2.46 -0.00 0.00 -0.52 0.00 0.00 37.83 34.94 1jd2 s LYS 182 CO 0.23 -0.50 1.06 -0.51 -0.92 0.00 0.00 175.35 174.71 1jd2 s ASP 183 N -4.36 5.48 0.19 2.83 -0.00 -1.26 -4.67 116.67 114.88 1jd2 s ASP 183 Ca 0.50 1.62 -0.23 0.00 -0.00 0.00 0.00 52.55 54.45 1jd2 s ASP 183 Cb -0.05 -2.50 -0.08 0.00 -0.00 0.00 0.00 42.92 40.29 1jd2 s ASP 183 CO 0.31 -1.37 0.75 0.00 -0.00 0.00 0.00 175.17 174.85 1jd2 s ALA 184 N -2.99 3.43 -0.17 5.23 0.00 -1.26 -4.70 121.76 121.31 1jd2 s ALA 184 Ca 0.58 0.27 -0.02 0.00 0.00 0.00 0.00 51.96 52.80 1jd2 s ALA 184 Cb -0.14 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 1jd2 s ALA 184 CO 0.53 0.31 -0.08 -1.83 0.00 0.00 0.00 175.76 174.68 1jd2 s GLU 185 N -1.50 3.42 -0.48 0.00 -1.05 -0.57 -4.98 118.70 113.54 1jd2 s GLU 185 Ca 0.39 -0.64 -0.14 0.00 -0.15 0.00 0.00 54.97 54.42 1jd2 s GLU 185 Cb -0.20 -2.82 0.08 0.00 -0.44 0.00 0.00 34.13 30.76 1jd2 s GLU 185 CO 0.24 0.05 0.39 -0.47 0.95 0.00 0.00 175.26 176.42 1jd2 s TYR 186 N 0.80 3.27 -0.71 4.83 5.04 -1.26 -1.05 117.35 128.26 1jd2 s TYR 186 Ca -0.03 -1.11 -0.15 0.00 -2.44 0.00 0.00 57.07 53.33 1jd2 s TYR 186 Cb -0.15 -3.25 0.17 0.00 0.35 0.00 0.00 41.96 39.08 1jd2 s TYR 186 CO 0.01 -0.85 0.69 -0.51 -1.34 0.00 0.00 175.55 173.55 1jd2 s LEU 187 N 1.59 6.34 -0.08 6.97 1.43 0.19 -5.03 118.68 130.10 1jd2 s LEU 187 Ca 0.04 -2.23 -0.24 0.00 -1.03 0.00 0.00 54.13 50.67 1jd2 s LEU 187 Cb -0.25 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 1jd2 s LEU 187 CO 0.05 -0.75 0.74 -0.60 0.23 0.00 0.00 176.35 176.02 1jd2 s ARG 189 N 1.03 4.42 -0.86 1.70 3.52 -1.26 -1.45 118.95 126.06 1jd2 s ARG 189 Ca 0.13 0.93 -0.02 0.00 -0.13 0.00 0.00 55.73 56.64 1jd2 s ARG 189 Cb -0.18 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 29.71 1jd2 s ARG 189 CO -0.03 -0.00 0.73 0.09 -0.81 0.00 0.00 175.30 175.28 1jd2 n ASN 190 N 4.00 -3.95 -0.09 -2.12 4.13 -1.22 -4.91 115.26 111.10 1jd2 n ASN 190 Ca 0.00 -0.51 -0.04 0.00 1.68 0.00 0.00 54.58 55.71 1jd2 n ASN 190 Cb 0.51 -4.08 0.18 0.00 -1.54 0.00 0.00 39.78 34.85 1jd2 n ASN 190 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1jd2 h TYR 191 N -1.11 0.79 -3.85 3.10 -0.00 -1.05 -3.42 116.97 111.42 1jd2 h TYR 191 Ca -0.46 -0.11 -0.39 0.00 -0.00 0.00 0.00 58.73 57.77 1jd2 h TYR 191 Cb 1.25 -0.22 -0.30 0.00 -0.00 0.00 0.00 36.73 37.46 1jd2 h TYR 191 CO 0.28 0.74 -0.78 -0.51 -0.00 0.00 0.00 178.16 177.89 1jd2 s LEU 192 N -9.13 1.83 -0.49 2.82 1.43 -1.20 -5.00 118.68 108.94 1jd2 s LEU 192 Ca -0.09 -0.15 0.07 0.00 -1.03 0.00 0.00 54.13 52.93 1jd2 s LEU 192 Cb 0.15 -0.46 0.26 0.00 0.03 0.00 0.00 46.19 46.17 1jd2 s LEU 192 CO 0.80 0.06 0.63 0.35 0.23 0.00 0.00 176.35 178.43 1jd2 n THR 193 N 3.20 0.65 0.60 5.49 -2.24 -1.26 -1.47 114.28 119.24 1jd2 n THR 193 Ca -0.17 -4.56 0.04 0.00 -2.27 0.00 0.00 64.05 57.09 1jd2 n THR 193 Cb 0.55 -1.93 0.15 0.00 -2.10 0.00 0.00 70.33 67.01 1jd2 n THR 193 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1jd2 n PRO 194 N 1.09 2.19 -2.73 -0.78 -0.04 -1.26 -4.30 135.00 129.18 1jd2 n PRO 194 Ca 0.25 -1.23 -0.21 0.00 -0.04 0.00 0.00 63.50 62.27 1jd2 n PRO 194 Cb 0.48 -1.54 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 1jd2 n PRO 194 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jd2 n ASN 195 N 0.34 3.32 -4.79 3.54 3.02 -1.26 -5.08 115.26 114.35 1jd2 n ASN 195 Ca 0.11 -3.37 -0.37 0.00 -0.03 0.00 0.00 54.58 50.93 1jd2 n ASN 195 Cb 0.46 -0.52 -0.06 0.00 -0.61 0.00 0.00 39.78 39.04 1jd2 n ASN 195 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jd2 s VAL 196 N -4.27 4.26 -0.10 2.41 1.01 -1.26 -4.98 120.40 117.47 1jd2 s VAL 196 Ca 0.42 1.75 -0.30 0.00 0.00 0.00 0.00 61.98 63.85 1jd2 s VAL 196 Cb 0.38 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1jd2 s VAL 196 CO -0.11 0.15 1.34 -0.60 0.00 0.00 0.00 175.10 175.88 1jd2 s ARG 197 N -2.05 4.25 0.58 2.72 3.00 -1.26 -5.00 118.95 121.20 1jd2 s ARG 197 Ca 0.49 1.80 -0.20 0.00 -1.00 0.00 0.00 55.73 56.82 1jd2 s ARG 197 Cb -0.18 -3.73 -0.04 0.00 0.00 0.00 0.00 34.95 31.00 1jd2 s ARG 197 CO 0.23 -0.66 1.30 -1.83 0.00 0.00 0.00 175.30 174.34 1jd2 s GLU 198 N 3.18 2.97 0.27 5.12 -1.05 -1.26 -4.84 118.70 123.08 1jd2 s GLU 198 Ca 0.59 2.07 -0.30 0.00 -0.15 0.00 0.00 54.97 57.18 1jd2 s GLU 198 Cb -0.26 -2.07 -0.13 0.00 -0.44 0.00 0.00 34.13 31.23 1jd2 s GLU 198 CO 0.20 -1.28 1.38 -1.91 0.95 0.00 0.00 175.26 174.60 1jd2 n GLU 199 N -1.37 2.08 -1.52 -4.83 2.13 -1.26 -4.89 120.64 110.97 1jd2 n GLU 199 Ca 0.13 0.74 -0.34 0.00 0.66 0.00 0.00 57.16 58.34 1jd2 n GLU 199 Cb 0.47 -2.37 0.08 0.00 0.27 0.00 0.00 31.44 29.89 1jd2 n GLU 199 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1jd2 s LYS 200 N -0.81 2.30 0.28 5.31 1.02 -1.26 -4.94 119.74 121.63 1jd2 s LYS 200 Ca 0.64 1.69 0.12 0.00 0.02 0.00 0.00 55.97 58.45 1jd2 s LYS 200 Cb -0.62 -1.86 0.33 0.00 -0.52 0.00 0.00 37.83 35.16 1jd2 s LYS 200 CO 0.53 -1.70 1.58 0.37 -0.92 0.00 0.00 175.35 175.21 1jd2 h GLN 201 N -0.18 0.00 -4.40 1.68 5.75 -2.04 -3.46 115.11 112.45 1jd2 h GLN 201 Ca -0.48 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 57.84 1jd2 h GLN 201 Cb 1.29 0.00 -0.15 0.00 1.07 0.00 0.00 27.48 29.69 1jd2 h GLN 201 CO 0.51 0.61 -0.63 0.21 -2.65 0.00 0.00 178.83 176.87 1jd2 s LYS 202 N -3.43 0.94 -0.11 1.69 2.20 -1.26 -5.14 119.74 114.63 1jd2 s LYS 202 Ca -0.00 -1.43 0.02 0.00 -0.36 0.00 0.00 55.97 54.20 1jd2 s LYS 202 Cb 0.11 0.25 -0.01 0.00 -1.51 0.00 0.00 37.83 36.67 1jd2 s LYS 202 CO 0.75 -0.27 -0.17 0.45 -0.36 0.00 0.00 175.35 175.75 1jd2 s SER 203 N -3.05 3.66 -0.28 1.43 0.15 -1.26 -5.01 113.70 109.34 1jd2 s SER 203 Ca 0.24 -0.40 0.07 0.00 0.70 0.00 0.00 55.95 56.55 1jd2 s SER 203 Cb 0.07 -1.44 0.58 0.00 -1.71 0.00 0.00 66.02 63.52 1jd2 s SER 203 CO 0.02 0.18 1.62 -1.22 1.20 0.00 0.00 173.24 175.04 1jd2 n TYR 204 N 3.40 2.09 -1.54 3.44 4.01 -1.26 -4.91 117.16 122.39 1jd2 n TYR 204 Ca -0.18 -1.13 -0.30 0.00 -0.16 0.00 0.00 57.90 56.12 1jd2 n TYR 204 Cb 0.53 -0.64 -0.08 0.00 -0.31 0.00 0.00 39.34 38.84 1jd2 n TYR 204 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1jd2 n LYS 205 N -0.23 0.62 -2.03 -0.72 4.81 -1.26 -4.86 118.16 114.49 1jd2 n LYS 205 Ca 0.36 -0.20 -0.41 0.00 -0.87 0.00 0.00 58.31 57.19 1jd2 n LYS 205 Cb 1.24 -2.89 -0.02 0.00 0.02 0.00 0.00 35.03 33.38 1jd2 n LYS 205 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1jd2 s PHE 206 N 11.06 3.04 0.35 5.64 0.08 -1.26 -4.93 117.98 131.96 1jd2 s PHE 206 Ca 1.08 1.04 -0.29 0.00 0.12 0.00 0.00 56.93 58.88 1jd2 s PHE 206 Cb -0.44 -3.80 -0.11 0.00 -0.57 0.00 0.00 43.02 38.09 1jd2 s PHE 206 CO 0.29 -2.60 1.52 -1.25 -0.10 0.00 0.00 175.22 173.08 1jd2 s PRO 207 N -0.35 4.11 0.40 0.24 0.04 -1.26 -4.88 135.00 133.30 1jd2 s PRO 207 Ca 0.59 2.58 -0.27 0.00 0.04 0.00 0.00 61.00 63.94 1jd2 s PRO 207 Cb -0.41 -2.98 -0.09 0.00 0.04 0.00 0.00 34.50 31.05 1jd2 s PRO 207 CO 0.43 -0.57 1.36 1.03 0.04 0.00 0.00 177.00 179.29 1jd2 s ARG 208 N -1.60 4.01 0.00 4.56 0.52 -1.26 -2.90 118.95 122.28 1jd2 s ARG 208 Ca 0.56 2.29 0.00 0.00 -0.52 0.00 0.00 55.73 58.06 1jd2 s ARG 208 Cb -0.47 -2.83 0.00 0.00 0.52 0.00 0.00 34.95 32.17 1jd2 s ARG 208 CO 0.58 -0.51 0.00 0.41 0.02 0.00 0.00 175.30 175.81 1jd2 n GLY 209 N 0.64 1.52 0.38 -3.53 0.00 -1.26 -4.95 105.19 97.98 1jd2 n GLY 209 Ca 0.03 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.21 1jd2 n GLY 209 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jd2 h THR 210 N 0.00 0.67 -3.21 2.61 2.02 -1.90 -3.42 112.91 109.68 1jd2 h THR 210 Ca 0.00 -0.20 -0.58 0.00 0.77 0.00 0.00 66.41 66.39 1jd2 h THR 210 Cb 0.00 0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 66.37 1jd2 h THR 210 CO 0.00 0.11 -0.10 -0.89 0.37 0.00 0.00 175.52 175.01 1jd2 s THR 211 N -5.66 4.96 -0.16 3.16 2.01 -1.26 -5.06 115.64 113.63 1jd2 s THR 211 Ca -0.10 1.06 -0.21 0.00 0.31 0.00 0.00 61.69 62.75 1jd2 s THR 211 Cb 0.24 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 1jd2 s THR 211 CO 0.80 0.48 0.63 0.00 -0.69 0.00 0.00 174.62 175.84 1jd2 s ALA 212 N -0.48 3.50 0.07 7.40 0.00 -1.26 -5.05 121.76 125.94 1jd2 s ALA 212 Ca 0.27 -0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.10 1jd2 s ALA 212 Cb -0.17 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 1jd2 s ALA 212 CO 0.15 -0.41 0.00 0.08 0.00 0.00 0.00 175.76 175.58 1jd2 s VAL 213 N 1.57 4.06 -0.12 0.00 1.01 -1.26 -5.05 120.40 120.60 1jd2 s VAL 213 Ca 0.30 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 1jd2 s VAL 213 Cb -0.16 -2.91 -0.07 0.00 0.00 0.00 0.00 36.38 33.24 1jd2 s VAL 213 CO 0.12 0.17 -0.11 0.18 0.00 0.00 0.00 175.10 175.46 1jd2 n LEU 214 N 0.72 2.70 -3.95 3.92 4.77 -1.26 -5.05 117.00 118.85 1jd2 n LEU 214 Ca -0.11 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.74 1jd2 n LEU 214 Cb 0.52 -0.40 -0.11 0.00 -2.33 0.00 0.00 43.42 41.10 1jd2 n LEU 214 CO 0.38 0.63 -0.34 -0.75 -1.33 0.00 0.00 177.39 175.99 1jd2 s LYS 215 N -2.23 0.28 -0.02 3.23 2.20 -1.26 -5.17 119.74 116.77 1jd2 s LYS 215 Ca -0.16 -0.49 -0.00 0.00 -0.36 0.00 0.00 55.97 54.96 1jd2 s LYS 215 Cb 0.04 0.10 0.03 0.00 -1.51 0.00 0.00 37.83 36.49 1jd2 s LYS 215 CO 0.26 -0.05 0.04 -2.00 -0.36 0.00 0.00 175.35 173.24 1jd2 s GLU 216 N -1.21 -0.03 0.23 4.03 2.12 -1.26 -5.17 118.70 117.41 1jd2 s GLU 216 Ca -0.13 0.21 -0.07 0.00 0.36 0.00 0.00 54.97 55.33 1jd2 s GLU 216 Cb -0.08 -0.24 -0.02 0.00 0.26 0.00 0.00 34.13 34.05 1jd2 s GLU 216 CO -0.01 -0.17 0.32 -1.54 -0.54 0.00 0.00 175.26 173.33 1jd2 s SER 217 N 1.08 0.06 0.26 -1.70 1.04 -1.26 -5.18 113.70 108.00 1jd2 s SER 217 Ca -0.09 -1.15 0.08 0.00 0.48 0.00 0.00 55.95 55.27 1jd2 s SER 217 Cb -0.13 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 1jd2 s SER 217 CO -0.03 -1.01 0.10 -0.63 0.98 0.00 0.00 173.24 172.65 1jd2 s ILE 218 N -4.05 3.99 0.05 -1.02 1.01 -1.26 -5.14 121.20 114.79 1jd2 s ILE 218 Ca 0.30 -1.63 0.07 0.00 0.00 0.00 0.00 60.65 59.39 1jd2 s ILE 218 Cb 0.03 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 1jd2 s ILE 218 CO 0.11 -0.36 -0.17 -0.69 0.00 0.00 0.00 174.94 173.83 1jd2 s VAL 219 N -2.21 2.87 -0.34 2.92 1.01 -1.26 -5.11 120.40 118.29 1jd2 s VAL 219 Ca 0.32 -1.21 -0.17 0.00 0.00 0.00 0.00 61.98 60.92 1jd2 s VAL 219 Cb -0.07 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 1jd2 s VAL 219 CO 0.23 0.30 0.45 0.21 0.00 0.00 0.00 175.10 176.28 1jd2 s ASN 220 N -1.57 6.27 0.00 3.32 2.47 -1.26 -4.99 114.94 119.18 1jd2 s ASN 220 Ca 0.16 -0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.39 1jd2 s ASN 220 Cb -0.11 -2.24 0.00 0.00 -1.45 0.00 0.00 41.25 37.46 1jd2 s ASN 220 CO 0.06 -0.40 0.00 -0.38 -3.72 0.00 0.00 177.10 172.67 1jd2 n ILE 221 N 5.32 0.00 -1.28 -5.21 -0.00 -1.26 -5.01 119.36 111.92 1jd2 n ILE 221 Ca -0.07 0.34 -0.34 0.00 -0.00 0.00 0.00 62.75 62.69 1jd2 n ILE 221 Cb 0.49 -1.24 0.11 0.00 -0.00 0.00 0.00 39.64 39.00 1jd2 n ILE 221 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55