#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jd2 s ASP 1 N 0.00 2.67 -0.17 6.12 1.01 -1.26 -4.98 116.67 120.05 1jd2 s ASP 1 Ca 0.00 0.20 -0.03 0.00 0.71 0.00 0.00 52.55 53.43 1jd2 s ASP 1 Cb 0.00 -0.17 -0.02 0.00 1.01 0.00 0.00 42.92 43.74 1jd2 s ASP 1 CO 0.00 -3.01 -0.06 -0.63 0.21 0.00 0.00 175.17 171.68 1jd2 s ILE 2 N -3.87 3.54 -0.12 0.77 1.01 -1.26 -4.82 121.20 116.44 1jd2 s ILE 2 Ca 0.76 -0.47 -0.02 0.00 0.00 0.00 0.00 60.65 60.92 1jd2 s ILE 2 Cb -0.03 -2.56 0.04 0.00 0.01 0.00 0.00 42.46 39.93 1jd2 s ILE 2 CO 0.54 0.47 0.02 -0.63 0.00 0.00 0.00 174.94 175.35 1jd2 s ILE 3 N 0.75 0.35 0.12 2.92 -1.09 -1.26 -1.33 121.20 121.65 1jd2 s ILE 3 Ca -0.03 -0.10 0.06 0.00 -2.23 0.00 0.00 60.65 58.36 1jd2 s ILE 3 Cb -0.15 -0.67 -0.04 0.00 -1.58 0.00 0.00 42.46 40.03 1jd2 s ILE 3 CO 0.02 0.06 -0.14 -0.76 -1.23 0.00 0.00 174.94 172.88 1jd2 s LEU 4 N 1.96 2.39 -0.05 2.97 1.43 0.38 -2.49 118.68 125.28 1jd2 s LEU 4 Ca 0.03 -0.79 -0.22 0.00 -1.03 0.00 0.00 54.13 52.12 1jd2 s LEU 4 Cb -0.14 -0.57 0.05 0.00 0.03 0.00 0.00 46.19 45.55 1jd2 s LEU 4 CO -0.06 -0.13 0.49 -0.83 0.23 0.00 0.00 176.35 176.05 1jd2 s GLY 5 N -2.38 -0.36 -0.18 -3.19 0.00 -0.68 -1.05 107.32 99.49 1jd2 s GLY 5 Ca 0.08 0.85 -0.10 0.00 0.00 0.00 0.00 44.72 45.55 1jd2 s GLY 5 CO 0.03 0.58 0.44 -1.50 0.00 0.00 0.00 173.10 172.65 1jd2 s ILE 6 N -1.12 -0.08 -0.26 0.90 1.10 -0.76 -1.19 121.20 119.79 1jd2 s ILE 6 Ca -0.11 0.09 -0.09 0.00 -0.51 0.00 0.00 60.65 60.03 1jd2 s ILE 6 Cb -0.03 -0.66 -0.04 0.00 0.15 0.00 0.00 42.46 41.89 1jd2 s ILE 6 CO 0.06 0.04 0.12 0.00 -2.11 0.00 0.00 174.94 173.05 1jd2 s ARG 7 N 1.53 3.78 0.00 3.50 1.70 0.19 -1.03 118.95 128.61 1jd2 s ARG 7 Ca -0.09 -0.41 0.00 0.00 -0.47 0.00 0.00 55.73 54.76 1jd2 s ARG 7 Cb -0.08 -3.47 0.00 0.00 -0.57 0.00 0.00 34.95 30.83 1jd2 s ARG 7 CO -0.14 -0.18 0.00 1.33 -1.08 0.00 0.00 175.30 175.23 1jd2 n VAL 8 N 4.98 0.00 0.02 4.99 0.24 -0.10 -4.88 118.33 123.57 1jd2 n VAL 8 Ca -0.15 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 61.94 1jd2 n VAL 8 Cb 0.52 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.75 1jd2 n VAL 8 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1jd2 h GLN 9 N 0.00 0.26 -0.11 7.34 4.15 -1.54 -3.40 115.11 121.82 1jd2 h GLN 9 Ca 0.00 -0.45 -0.04 0.00 0.77 0.00 0.00 58.65 58.94 1jd2 h GLN 9 Cb 0.00 0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 1jd2 h GLN 9 CO 0.00 1.16 -0.18 -0.25 -1.93 0.00 0.00 178.83 177.64 1jd2 n ASP 10 N -3.46 2.39 0.00 -0.69 8.00 -1.26 -4.59 116.55 116.94 1jd2 n ASP 10 Ca -0.29 -3.48 0.00 0.00 0.71 0.00 0.00 54.79 51.73 1jd2 n ASP 10 Cb 1.05 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1jd2 n ASP 10 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1jd2 n SER 11 N -1.14 0.00 -3.74 -2.24 3.41 -1.26 -4.67 113.62 103.97 1jd2 n SER 11 Ca 0.21 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.66 1jd2 n SER 11 Cb 0.77 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.56 1jd2 n SER 11 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jd2 s VAL 12 N -2.31 -0.08 -0.10 -3.33 1.01 -1.04 -0.92 120.40 113.63 1jd2 s VAL 12 Ca 0.00 0.28 -0.00 0.00 0.00 0.00 0.00 61.98 62.25 1jd2 s VAL 12 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.24 1jd2 s VAL 12 CO 0.00 0.11 -0.08 -0.63 0.00 0.00 0.00 175.10 174.51 1jd2 s ILE 13 N 1.40 3.59 -0.08 2.22 1.01 -0.20 -1.51 121.20 127.63 1jd2 s ILE 13 Ca -0.05 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.15 1jd2 s ILE 13 Cb -0.13 -2.50 -0.00 0.00 0.01 0.00 0.00 42.46 39.84 1jd2 s ILE 13 CO -0.03 0.56 -0.22 -0.76 0.00 0.00 0.00 174.94 174.49 1jd2 s LEU 14 N -0.27 2.00 -0.04 2.97 1.43 -0.40 -1.82 118.68 122.54 1jd2 s LEU 14 Ca 0.03 -0.48 0.06 0.00 -1.03 0.00 0.00 54.13 52.71 1jd2 s LEU 14 Cb -0.13 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.82 1jd2 s LEU 14 CO 0.03 0.16 -0.23 0.00 0.23 0.00 0.00 176.35 176.54 1jd2 s ALA 15 N 0.23 1.94 -0.15 4.21 0.00 -0.21 -1.37 121.76 126.40 1jd2 s ALA 15 Ca -0.13 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 50.80 1jd2 s ALA 15 Cb -0.16 -0.57 0.06 0.00 0.00 0.00 0.00 23.12 22.45 1jd2 s ALA 15 CO 0.06 0.40 0.36 -1.12 0.00 0.00 0.00 175.76 175.47 1jd2 s SER 16 N -0.25 -0.37 0.62 0.00 0.01 -0.83 -0.47 113.70 112.41 1jd2 s SER 16 Ca 0.01 0.79 -0.17 0.00 1.31 0.00 0.00 55.95 57.88 1jd2 s SER 16 Cb -0.12 0.73 -0.07 0.00 0.21 0.00 0.00 66.02 66.78 1jd2 s SER 16 CO 0.02 -0.19 0.61 -1.54 0.41 0.00 0.00 173.24 172.54 1jd2 n SER 17 N 4.43 -0.75 -1.84 2.44 3.41 -0.44 -1.69 113.62 119.19 1jd2 n SER 17 Ca -0.21 0.71 -0.09 0.00 -0.26 0.00 0.00 58.87 59.01 1jd2 n SER 17 Cb 0.54 -1.23 0.25 0.00 -0.26 0.00 0.00 64.21 63.51 1jd2 n SER 17 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jd2 n LYS 18 N -0.44 2.96 -4.61 4.33 5.02 -0.30 -4.71 118.16 120.41 1jd2 n LYS 18 Ca 0.12 -3.07 -0.23 0.00 -2.02 0.00 0.00 58.31 53.11 1jd2 n LYS 18 Cb 0.48 -2.11 -0.14 0.00 -0.02 0.00 0.00 35.03 33.24 1jd2 n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jd2 s ALA 19 N -3.11 1.40 -0.20 7.82 0.00 -1.25 -1.18 121.76 125.25 1jd2 s ALA 19 Ca 0.53 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.68 1jd2 s ALA 19 Cb 0.44 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 23.30 1jd2 s ALA 19 CO 0.10 0.31 -0.15 0.08 0.00 0.00 0.00 175.76 176.10 1jd2 s VAL 20 N -0.62 1.94 -0.07 0.00 1.01 -0.97 -4.98 120.40 116.71 1jd2 s VAL 20 Ca 0.05 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1jd2 s VAL 20 Cb -0.07 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1jd2 s VAL 20 CO 0.01 0.33 -0.05 -0.89 0.00 0.00 0.00 175.10 174.49 1jd2 s THR 21 N 1.29 3.87 -0.24 3.92 2.01 -1.26 -0.48 115.64 124.75 1jd2 s THR 21 Ca 0.01 -0.41 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 1jd2 s THR 21 Cb -0.15 -2.60 0.07 0.00 0.01 0.00 0.00 72.50 69.83 1jd2 s THR 21 CO -0.10 0.60 0.06 -0.13 -0.69 0.00 0.00 174.62 174.35 1jd2 s ARG 22 N -0.81 0.69 5.17 4.92 1.81 0.60 -4.91 118.95 126.42 1jd2 s ARG 22 Ca 0.12 -0.64 0.00 0.00 -1.72 0.00 0.00 55.73 53.49 1jd2 s ARG 22 Cb -0.11 -2.03 0.00 0.00 -0.45 0.00 0.00 34.95 32.36 1jd2 s ARG 22 CO 0.02 -0.76 0.00 0.41 -0.68 0.00 0.00 175.30 174.28 1jd2 n GLY 23 N 4.99 0.92 0.05 -3.53 0.00 -1.26 -2.20 105.19 104.16 1jd2 n GLY 23 Ca -0.07 0.48 0.11 0.00 0.00 0.00 0.00 46.02 46.54 1jd2 n GLY 23 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jd2 n ILE 24 N 0.00 0.24 -4.54 -0.61 3.06 -1.26 -4.97 119.36 111.29 1jd2 n ILE 24 Ca 0.00 -0.30 -0.26 0.00 -2.50 0.00 0.00 62.75 59.69 1jd2 n ILE 24 Cb 0.00 0.08 -0.10 0.00 0.54 0.00 0.00 39.64 40.16 1jd2 n ILE 24 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 1jd2 s SER 25 N -4.18 3.80 -0.41 9.51 0.01 -0.93 -5.09 113.70 116.40 1jd2 s SER 25 Ca 0.03 -1.21 -0.10 0.00 1.31 0.00 0.00 55.95 55.97 1jd2 s SER 25 Cb 0.14 -0.37 0.07 0.00 0.21 0.00 0.00 66.02 66.06 1jd2 s SER 25 CO 0.80 -0.25 0.26 -0.69 0.41 0.00 0.00 173.24 173.76 1jd2 s VAL 26 N -2.62 4.39 0.16 3.43 1.01 -1.26 -0.29 120.40 125.22 1jd2 s VAL 26 Ca 0.33 -1.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1jd2 s VAL 26 Cb 0.04 -3.63 -0.14 0.00 0.00 0.00 0.00 36.38 32.65 1jd2 s VAL 26 CO 0.17 -0.45 1.38 -0.07 0.00 0.00 0.00 175.10 176.13 1jd2 h LEU 27 N 8.44 0.44 -7.45 3.92 3.38 -1.13 -3.46 115.31 119.45 1jd2 h LEU 27 Ca -0.24 -0.33 -0.19 0.00 0.09 0.00 0.00 57.88 57.22 1jd2 h LEU 27 Cb 1.09 -0.13 -0.28 0.00 0.09 0.00 0.00 40.66 41.43 1jd2 h LEU 27 CO 0.75 1.09 -0.48 -0.75 0.09 0.00 0.00 178.44 179.14 1jd2 s LYS 28 N -3.42 0.22 -0.33 1.13 2.20 -1.16 -4.99 119.74 113.40 1jd2 s LYS 28 Ca -0.05 0.38 0.09 0.00 -0.36 0.00 0.00 55.97 56.03 1jd2 s LYS 28 Cb 0.10 0.01 0.62 0.00 -1.51 0.00 0.00 37.83 37.06 1jd2 s LYS 28 CO 0.84 -0.09 1.68 -0.40 -0.36 0.00 0.00 175.35 177.03 1jd2 n ASP 29 N 3.50 3.68 -2.71 1.43 3.85 -1.25 -2.30 116.55 122.75 1jd2 n ASP 29 Ca -0.18 -3.47 -0.03 0.00 -0.71 0.00 0.00 54.79 50.39 1jd2 n ASP 29 Cb 0.56 -0.71 0.10 0.00 -1.35 0.00 0.00 41.12 39.72 1jd2 n ASP 29 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1jd2 n SER 30 N -0.77 -0.55 -4.78 -1.12 3.41 -0.32 -4.81 113.62 104.67 1jd2 n SER 30 Ca 0.41 -2.28 -0.38 0.00 -0.26 0.00 0.00 58.87 56.35 1jd2 n SER 30 Cb 1.29 0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 65.54 1jd2 n SER 30 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jd2 s ASP 31 N -1.97 7.32 -0.53 4.04 3.68 -1.04 -5.02 116.67 123.15 1jd2 s ASP 31 Ca 0.18 1.66 -0.05 0.00 2.13 0.00 0.00 52.55 56.47 1jd2 s ASP 31 Cb 0.41 -2.51 0.14 0.00 -1.45 0.00 0.00 42.92 39.51 1jd2 s ASP 31 CO -0.08 0.10 0.36 -0.62 0.13 0.00 0.00 175.17 175.06 1jd2 s ASP 32 N -1.38 5.45 0.00 -0.34 3.68 -1.26 -4.50 116.67 118.33 1jd2 s ASP 32 Ca 0.41 -2.34 -0.05 0.00 2.13 0.00 0.00 52.55 52.69 1jd2 s ASP 32 Cb -0.21 -1.91 -0.23 0.00 -1.45 0.00 0.00 42.92 39.12 1jd2 s ASP 32 CO 0.25 -0.52 3.41 0.29 0.13 0.00 0.00 175.17 178.73 1jd2 n LYS 33 N 4.23 1.86 -3.55 4.34 5.02 -1.26 -4.84 118.16 123.95 1jd2 n LYS 33 Ca 0.01 -0.86 -0.15 0.00 -2.02 0.00 0.00 58.31 55.29 1jd2 n LYS 33 Cb 0.40 -1.86 -0.05 0.00 -0.02 0.00 0.00 35.03 33.49 1jd2 n LYS 33 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1jd2 s THR 34 N 0.87 0.02 0.02 -0.18 -1.32 -1.26 -1.99 115.64 111.79 1jd2 s THR 34 Ca 0.58 -0.15 0.03 0.00 -1.21 0.00 0.00 61.69 60.94 1jd2 s THR 34 Cb 0.28 -0.96 -0.02 0.00 -1.51 0.00 0.00 72.50 70.29 1jd2 s THR 34 CO 0.00 -0.08 -0.08 -0.13 -2.21 0.00 0.00 174.62 172.12 1jd2 s ARG 35 N -2.04 0.58 -0.42 7.08 1.81 -0.76 -5.01 118.95 120.19 1jd2 s ARG 35 Ca -0.07 -0.52 -0.24 0.00 -1.72 0.00 0.00 55.73 53.17 1jd2 s ARG 35 Cb -0.01 -0.48 0.02 0.00 -0.45 0.00 0.00 34.95 34.03 1jd2 s ARG 35 CO 0.02 0.12 0.85 -1.14 -0.68 0.00 0.00 175.30 174.47 1jd2 s GLN 36 N -0.88 3.59 -0.04 3.54 0.74 -1.26 -1.94 119.66 123.40 1jd2 s GLN 36 Ca -0.03 0.18 -0.21 0.00 0.05 0.00 0.00 55.36 55.35 1jd2 s GLN 36 Cb -0.06 -3.89 -0.15 0.00 1.10 0.00 0.00 33.01 30.01 1jd2 s GLN 36 CO 0.00 -1.07 0.92 -0.07 -0.55 0.00 0.00 175.29 174.52 1jd2 h LEU 37 N 10.19 -0.23 -8.26 3.68 3.38 -1.45 -3.47 115.31 119.15 1jd2 h LEU 37 Ca -0.24 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.30 1jd2 h LEU 37 Cb 1.08 0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.74 1jd2 h LEU 37 CO 0.98 0.28 -0.68 -0.94 0.09 0.00 0.00 178.44 178.16 1jd2 s SER 38 N -5.36 0.56 0.00 -0.43 1.04 -1.02 -4.42 113.70 104.07 1jd2 s SER 38 Ca -0.13 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.32 1jd2 s SER 38 Cb 0.01 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1jd2 s SER 38 CO 0.47 -0.57 0.58 -0.81 0.98 0.00 0.00 173.24 173.88 1jd2 n PRO 39 N 0.14 0.00 -0.97 4.02 -0.04 -1.26 -0.01 135.00 136.88 1jd2 n PRO 39 Ca -0.14 0.12 0.03 0.00 -0.04 0.00 0.00 63.50 63.47 1jd2 n PRO 39 Cb 0.61 -1.83 0.04 0.00 -0.04 0.00 0.00 33.50 32.28 1jd2 n PRO 39 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1jd2 n HIS 40 N -1.08 0.00 -3.69 0.54 8.25 -1.26 -4.39 115.22 113.59 1jd2 n HIS 40 Ca 0.00 -0.45 -0.10 0.00 -0.26 0.00 0.00 57.72 56.91 1jd2 n HIS 40 Cb 0.33 -0.12 -0.11 0.00 1.12 0.00 0.00 29.99 31.21 1jd2 n HIS 40 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1jd2 s THR 41 N -0.49 -0.03 0.07 1.59 2.01 0.98 -1.95 115.64 117.82 1jd2 s THR 41 Ca 0.22 0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.39 1jd2 s THR 41 Cb 0.24 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 72.10 1jd2 s THR 41 CO -0.09 0.04 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.46 1jd2 s LEU 42 N 1.42 2.23 -0.03 4.42 2.96 -0.54 -1.06 118.68 128.06 1jd2 s LEU 42 Ca -0.10 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.24 1jd2 s LEU 42 Cb -0.08 -0.87 0.02 0.00 0.50 0.00 0.00 46.19 45.76 1jd2 s LEU 42 CO -0.13 0.09 -0.03 -0.32 -1.32 0.00 0.00 176.35 174.64 1jd2 s MET 43 N -1.50 0.62 0.18 1.98 -2.45 -0.82 -1.16 119.30 116.14 1jd2 s MET 43 Ca 0.06 -0.06 0.08 0.00 -1.25 0.00 0.00 55.69 54.52 1jd2 s MET 43 Cb -0.09 -0.68 -0.04 0.00 1.25 0.00 0.00 34.83 35.27 1jd2 s MET 43 CO 0.03 -0.08 -0.00 -1.54 1.05 0.00 0.00 175.02 174.48 1jd2 s SER 44 N 0.84 4.75 0.02 1.11 1.04 0.18 -1.82 113.70 119.81 1jd2 s SER 44 Ca -0.10 -0.42 -0.10 0.00 0.48 0.00 0.00 55.95 55.81 1jd2 s SER 44 Cb -0.13 -1.00 0.01 0.00 0.10 0.00 0.00 66.02 65.00 1jd2 s SER 44 CO -0.00 0.08 0.21 0.72 0.98 0.00 0.00 173.24 175.22 1jd2 s PHE 45 N -1.78 -0.00 -0.11 5.02 -0.12 -0.84 -0.39 117.98 119.75 1jd2 s PHE 45 Ca 0.28 -0.11 -0.11 0.00 -0.05 0.00 0.00 56.93 56.94 1jd2 s PHE 45 Cb -0.09 -0.00 0.03 0.00 -0.63 0.00 0.00 43.02 42.33 1jd2 s PHE 45 CO 0.19 -0.38 0.30 0.00 -0.05 0.00 0.00 175.22 175.28 1jd2 s ALA 46 N -1.97 -0.75 0.00 1.99 0.00 0.16 -4.91 121.76 116.28 1jd2 s ALA 46 Ca -0.10 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1jd2 s ALA 46 Cb -0.04 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1jd2 s ALA 46 CO -0.01 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1jd2 n GLY 47 N 2.76 -0.56 3.76 0.00 0.00 -1.26 -0.73 105.19 109.16 1jd2 n GLY 47 Ca -0.14 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.82 1jd2 n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jd2 s GLU 48 N -1.56 3.47 0.00 1.61 2.56 -0.76 -4.87 118.70 119.16 1jd2 s GLU 48 Ca 0.00 2.10 0.00 0.00 0.00 0.00 0.00 54.97 57.07 1jd2 s GLU 48 Cb 0.00 -2.40 0.00 0.00 2.00 0.00 0.00 34.13 33.73 1jd2 s GLU 48 CO 0.00 -0.88 0.16 0.00 -0.56 0.00 0.00 175.26 173.98 1jd2 n ALA 49 N -0.66 0.00 -0.02 6.30 0.00 -1.26 -2.60 120.51 122.27 1jd2 n ALA 49 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.31 1jd2 n ALA 49 Cb 0.45 0.08 -0.13 0.00 0.00 0.00 0.00 19.45 19.85 1jd2 n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jd2 n GLY 50 N -0.95 -0.57 0.49 0.00 0.00 -1.26 -4.31 105.19 98.58 1jd2 n GLY 50 Ca 0.00 -0.23 0.31 0.00 0.00 0.00 0.00 46.02 46.10 1jd2 n GLY 50 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jd2 h ASP 51 N -0.07 0.19 0.32 1.61 5.19 -1.90 -2.43 116.42 119.32 1jd2 h ASP 51 Ca -0.43 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.01 1jd2 h ASP 51 Cb 1.94 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 41.45 1jd2 h ASP 51 CO 0.03 0.01 -0.31 0.00 -3.12 0.00 0.00 179.24 175.86 1jd2 h THR 52 N 0.15 0.00 -0.03 0.35 1.03 -1.69 -1.43 112.91 111.30 1jd2 h THR 52 Ca 0.61 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 67.01 1jd2 h THR 52 Cb 2.06 0.00 -0.00 0.00 -1.07 0.00 0.00 68.15 69.14 1jd2 h THR 52 CO -0.15 0.00 0.00 0.58 -0.01 0.00 0.00 175.52 175.94 1jd2 h VAL 53 N -0.62 1.24 -0.64 0.00 2.07 -1.69 -2.70 116.25 113.91 1jd2 h VAL 53 Ca -0.04 -0.73 0.11 0.00 0.82 0.00 0.00 66.70 66.87 1jd2 h VAL 53 Cb 0.53 1.69 -0.12 0.00 -1.52 0.00 0.00 31.29 31.87 1jd2 h VAL 53 CO -0.03 0.19 -0.33 1.56 0.02 0.00 0.00 177.57 178.98 1jd2 h GLN 54 N -0.25 -0.13 -0.87 1.57 1.08 -1.55 0.11 115.11 115.07 1jd2 h GLN 54 Ca 0.01 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 1jd2 h GLN 54 Cb 0.31 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.73 1jd2 h GLN 54 CO 0.00 -0.09 0.48 0.35 -0.95 0.00 0.00 178.83 178.63 1jd2 h PHE 55 N -0.13 1.20 0.22 2.96 3.04 -1.19 -1.28 116.94 121.74 1jd2 h PHE 55 Ca 0.25 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.16 1jd2 h PHE 55 Cb 0.55 -0.38 0.00 0.00 2.56 0.00 0.00 35.95 38.68 1jd2 h PHE 55 CO -0.66 0.83 -0.10 0.00 -2.02 0.00 0.00 178.31 176.36 1jd2 h ALA 56 N 1.26 -0.29 -0.77 2.41 0.00 -0.55 -2.53 119.26 118.80 1jd2 h ALA 56 Ca 0.31 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1jd2 h ALA 56 Cb 0.02 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1jd2 h ALA 56 CO -0.05 -0.58 0.50 0.93 0.00 0.00 0.00 179.25 180.06 1jd2 h GLU 57 N -0.46 0.84 -0.23 0.00 5.08 -0.71 0.67 114.58 119.77 1jd2 h GLU 57 Ca -0.03 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1jd2 h GLU 57 Cb 0.35 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1jd2 h GLU 57 CO 0.05 0.56 0.14 -0.92 -1.00 0.00 0.00 179.01 177.83 1jd2 h TYR 58 N 0.87 0.31 -0.76 4.33 3.20 -1.16 -0.53 116.97 123.23 1jd2 h TYR 58 Ca 0.32 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.15 1jd2 h TYR 58 Cb 0.17 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 1jd2 h TYR 58 CO -0.00 0.25 0.32 0.82 -1.64 0.00 0.00 178.16 177.91 1jd2 h ILE 59 N 0.28 1.25 0.58 1.81 1.08 -0.84 0.04 117.51 121.71 1jd2 h ILE 59 Ca 0.08 -0.77 -0.02 0.00 -0.39 0.00 0.00 64.86 63.76 1jd2 h ILE 59 Cb 0.04 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 34.10 1jd2 h ILE 59 CO -0.01 0.32 -0.50 -0.61 -0.69 0.00 0.00 178.15 176.65 1jd2 h GLN 60 N 1.10 -1.02 -0.12 2.37 4.15 -0.45 -1.61 115.11 119.53 1jd2 h GLN 60 Ca 0.26 0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.77 1jd2 h GLN 60 Cb 0.19 0.23 -0.06 0.00 0.21 0.00 0.00 27.48 28.05 1jd2 h GLN 60 CO -0.02 -0.68 -0.47 0.00 -1.93 0.00 0.00 178.83 175.72 1jd2 h ALA 61 N -1.00 -0.84 -0.06 3.38 0.00 -0.62 0.19 119.26 120.32 1jd2 h ALA 61 Ca -0.08 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1jd2 h ALA 61 Cb 0.90 0.96 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 1jd2 h ALA 61 CO -0.01 -1.01 0.23 -0.91 0.00 0.00 0.00 179.25 177.55 1jd2 h ASN 62 N -0.51 0.00 0.08 0.00 4.21 -0.94 -0.43 115.58 118.00 1jd2 h ASN 62 Ca 0.03 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.22 1jd2 h ASN 62 Cb 0.59 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.77 1jd2 h ASN 62 CO -0.38 0.00 -1.72 0.40 -1.29 0.00 0.00 177.43 174.45 1jd2 h ILE 63 N 0.00 0.75 -0.63 2.81 1.08 0.00 -3.20 117.51 118.32 1jd2 h ILE 63 Ca 0.03 -2.29 0.05 0.00 -0.39 0.00 0.00 64.86 62.26 1jd2 h ILE 63 Cb 0.49 2.42 -0.05 0.00 -3.07 0.00 0.00 36.82 36.61 1jd2 h ILE 63 CO -0.00 0.69 0.36 1.56 -0.69 0.00 0.00 178.15 180.06 1jd2 h GLN 64 N -0.31 0.65 -0.45 2.37 4.20 0.09 -0.44 115.11 121.22 1jd2 h GLN 64 Ca -0.39 -0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.36 1jd2 h GLN 64 Cb 1.77 -0.15 -0.07 0.00 0.30 0.00 0.00 27.48 29.34 1jd2 h GLN 64 CO -0.01 0.43 0.01 1.25 -0.67 0.00 0.00 178.83 179.84 1jd2 h LEU 65 N 0.67 -0.17 -0.14 1.46 5.85 -1.26 0.32 115.31 122.05 1jd2 h LEU 65 Ca 0.28 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 59.10 1jd2 h LEU 65 Cb 0.14 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1jd2 h LEU 65 CO -0.16 -0.05 0.07 0.22 -0.34 0.00 0.00 178.44 178.18 1jd2 h TYR 66 N 0.12 0.19 -1.01 1.25 3.20 -1.41 -1.65 116.97 117.67 1jd2 h TYR 66 Ca 0.23 -0.01 0.30 0.00 3.14 0.00 0.00 58.73 62.39 1jd2 h TYR 66 Cb 0.33 -0.06 -0.14 0.00 1.54 0.00 0.00 36.73 38.39 1jd2 h TYR 66 CO -0.28 0.21 0.58 0.77 -1.64 0.00 0.00 178.16 177.81 1jd2 h SER 67 N 0.12 0.56 0.02 -2.11 0.02 0.70 -2.29 113.55 110.56 1jd2 h SER 67 Ca 0.05 0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 1jd2 h SER 67 Cb 0.09 0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1jd2 h SER 67 CO -0.01 -0.07 -0.18 0.40 -1.14 0.00 0.00 176.83 175.84 1jd2 h ILE 68 N 0.39 1.69 -0.41 3.27 2.04 -0.70 -2.64 117.51 121.15 1jd2 h ILE 68 Ca 0.71 -2.25 0.12 0.00 1.00 0.00 0.00 64.86 64.44 1jd2 h ILE 68 Cb 1.56 3.19 -0.02 0.00 -0.74 0.00 0.00 36.82 40.82 1jd2 h ILE 68 CO -0.56 0.60 0.47 -0.09 0.00 0.00 0.00 178.15 178.56 1jd2 h ARG 69 N -0.78 0.00 0.00 2.37 2.43 -0.77 -2.88 114.38 114.75 1jd2 h ARG 69 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1jd2 h ARG 69 Cb 1.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1jd2 h ARG 69 CO 0.03 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.88 1jd2 n GLU 70 N -3.66 0.50 -3.87 0.20 4.71 -1.00 -5.03 120.64 112.49 1jd2 n GLU 70 Ca 0.07 -0.82 -0.33 0.00 -0.01 0.00 0.00 57.16 56.07 1jd2 n GLU 70 Cb 0.64 -0.95 0.02 0.00 -1.01 0.00 0.00 31.44 30.14 1jd2 n GLU 70 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1jd2 n ASP 71 N -0.17 -3.51 -3.53 1.62 -0.08 -1.00 -4.95 116.55 104.92 1jd2 n ASP 71 Ca 0.00 -1.09 -0.08 0.00 -1.51 0.00 0.00 54.79 52.11 1jd2 n ASP 71 Cb 0.12 -2.83 -0.02 0.00 2.34 0.00 0.00 41.12 40.73 1jd2 n ASP 71 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1jd2 s TYR 72 N -3.65 -0.32 -0.14 -0.67 5.04 -1.21 -5.10 117.35 111.30 1jd2 s TYR 72 Ca 0.34 0.17 0.01 0.00 -2.44 0.00 0.00 57.07 55.15 1jd2 s TYR 72 Cb -0.14 0.55 0.00 0.00 0.35 0.00 0.00 41.96 42.72 1jd2 s TYR 72 CO 0.90 -0.58 -0.19 -2.00 -1.34 0.00 0.00 175.55 172.34 1jd2 s GLU 73 N -3.14 3.12 0.48 4.97 2.12 -1.26 -4.35 118.70 120.64 1jd2 s GLU 73 Ca 0.06 -0.80 -0.23 0.00 0.36 0.00 0.00 54.97 54.35 1jd2 s GLU 73 Cb -0.01 -2.52 -0.07 0.00 0.26 0.00 0.00 34.13 31.79 1jd2 s GLU 73 CO -0.08 0.02 1.28 -0.51 -0.54 0.00 0.00 175.26 175.43 1jd2 s LEU 74 N 0.77 4.00 0.67 2.70 1.43 -1.26 -4.99 118.68 122.00 1jd2 s LEU 74 Ca -0.07 2.58 -0.13 0.00 -1.03 0.00 0.00 54.13 55.47 1jd2 s LEU 74 Cb -0.16 -4.16 0.00 0.00 0.03 0.00 0.00 46.19 41.90 1jd2 s LEU 74 CO -0.00 -1.15 1.08 -0.94 0.23 0.00 0.00 176.35 175.56 1jd2 s SER 75 N -1.04 5.27 0.11 2.29 1.04 -1.26 -4.73 113.70 115.39 1jd2 s SER 75 Ca 0.65 1.81 -0.24 0.00 0.48 0.00 0.00 55.95 58.65 1jd2 s SER 75 Cb -0.36 -2.52 -0.07 0.00 0.10 0.00 0.00 66.02 63.17 1jd2 s SER 75 CO 0.43 -1.52 1.68 -0.65 0.98 0.00 0.00 173.24 174.17 1jd2 h PRO 76 N -0.27 -0.23 -0.76 4.02 0.11 -1.93 -0.39 132.00 132.55 1jd2 h PRO 76 Ca -0.45 0.02 0.22 0.00 0.11 0.00 0.00 66.00 65.89 1jd2 h PRO 76 Cb 1.23 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 1jd2 h PRO 76 CO 0.55 -0.15 0.88 0.37 -0.21 0.00 0.00 178.00 179.44 1jd2 h GLN 77 N -0.24 0.00 0.00 1.05 -0.00 -1.98 0.29 115.11 114.23 1jd2 h GLN 77 Ca 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.63 1jd2 h GLN 77 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.77 1jd2 h GLN 77 CO -0.14 0.00 -0.64 0.00 0.00 0.00 0.00 178.83 178.05 1jd2 h ALA 78 N 0.96 0.08 -0.81 3.38 0.00 -1.50 -3.01 119.26 118.35 1jd2 h ALA 78 Ca 0.36 -0.66 0.20 0.00 0.00 0.00 0.00 54.91 54.81 1jd2 h ALA 78 Cb 2.12 0.49 -0.13 0.00 0.00 0.00 0.00 17.79 20.27 1jd2 h ALA 78 CO -0.00 0.48 0.18 0.28 0.00 0.00 0.00 179.25 180.18 1jd2 h VAL 79 N -1.00 0.39 0.30 0.00 2.07 0.97 0.28 116.25 119.27 1jd2 h VAL 79 Ca -0.10 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1jd2 h VAL 79 Cb 0.71 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1jd2 h VAL 79 CO -0.06 0.04 -0.15 0.77 0.02 0.00 0.00 177.57 178.19 1jd2 h SER 80 N 0.21 -0.34 -0.82 0.57 4.64 -0.94 -0.48 113.55 116.39 1jd2 h SER 80 Ca 0.48 -0.08 0.22 0.00 -0.47 0.00 0.00 61.79 61.94 1jd2 h SER 80 Cb 0.91 0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 63.04 1jd2 h SER 80 CO -0.61 -0.13 0.57 0.28 -0.87 0.00 0.00 176.83 176.07 1jd2 h SER 81 N -0.54 0.14 0.17 4.97 0.02 -0.85 0.63 113.55 118.09 1jd2 h SER 81 Ca -0.04 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1jd2 h SER 81 Cb 0.40 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1jd2 h SER 81 CO 0.07 0.06 -0.08 0.15 -1.14 0.00 0.00 176.83 175.88 1jd2 h PHE 82 N 0.14 -0.21 -0.92 3.45 3.04 0.22 -2.35 116.94 120.31 1jd2 h PHE 82 Ca 0.40 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.40 1jd2 h PHE 82 Cb 1.37 0.07 -0.06 0.00 2.56 0.00 0.00 35.95 39.89 1jd2 h PHE 82 CO -0.00 0.14 0.59 0.28 -2.02 0.00 0.00 178.31 177.30 1jd2 h VAL 83 N -0.59 1.10 -0.02 1.41 2.07 0.17 -1.73 116.25 118.66 1jd2 h VAL 83 Ca -0.02 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.14 1jd2 h VAL 83 Cb 0.44 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1jd2 h VAL 83 CO 0.04 0.20 -0.10 -0.09 0.02 0.00 0.00 177.57 177.64 1jd2 h ARG 84 N 1.11 -0.15 -0.38 1.57 2.43 -0.37 -1.51 114.38 117.08 1jd2 h ARG 84 Ca 0.39 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.62 1jd2 h ARG 84 Cb 0.10 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 1jd2 h ARG 84 CO -0.15 -0.10 0.09 0.37 -1.51 0.00 0.00 179.97 178.67 1jd2 h GLN 85 N -0.15 0.22 -0.78 0.20 4.15 -0.94 0.46 115.11 118.26 1jd2 h GLN 85 Ca 0.05 -0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.57 1jd2 h GLN 85 Cb 0.21 -0.05 -0.08 0.00 0.21 0.00 0.00 27.48 27.77 1jd2 h GLN 85 CO -0.12 0.15 0.40 0.93 -1.93 0.00 0.00 178.83 178.26 1jd2 h GLU 86 N 0.23 0.62 0.39 1.69 4.39 -0.82 0.12 114.58 121.20 1jd2 h GLU 86 Ca 0.18 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 1jd2 h GLU 86 Cb 0.20 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1jd2 h GLU 86 CO -0.22 0.41 -0.19 -0.07 -1.16 0.00 0.00 179.01 177.78 1jd2 h LEU 87 N 0.64 -0.44 -2.01 1.33 3.38 -0.20 -2.88 115.31 115.13 1jd2 h LEU 87 Ca 0.40 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.32 1jd2 h LEU 87 Cb 0.48 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1jd2 h LEU 87 CO -0.31 -0.06 0.39 0.00 0.09 0.00 0.00 178.44 178.56 1jd2 h ALA 88 N -0.48 1.86 -0.06 1.53 0.00 0.36 0.11 119.26 122.58 1jd2 h ALA 88 Ca -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1jd2 h ALA 88 Cb 0.54 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1jd2 h ALA 88 CO 0.09 -0.53 -0.05 0.87 0.00 0.00 0.00 179.25 179.63 1jd2 h LYS 89 N 0.00 0.13 0.00 0.00 1.57 -0.58 -3.33 116.57 114.36 1jd2 h LYS 89 Ca 0.13 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1jd2 h LYS 89 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1jd2 h LYS 89 CO -0.00 0.58 -0.39 0.66 -0.57 0.00 0.00 179.45 179.73 1jd2 h SER 90 N -0.31 0.00 -0.81 0.86 4.64 -0.59 -3.33 113.55 114.01 1jd2 h SER 90 Ca 0.01 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.56 1jd2 h SER 90 Cb 0.56 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 1jd2 h SER 90 CO 0.01 0.39 0.59 -0.29 -0.87 0.00 0.00 176.83 176.66 1jd2 h ILE 90 N 0.00 0.58 -0.42 0.95 6.09 -1.57 0.11 117.51 123.25 1jd2 h ILE 90 Ca -0.00 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.45 1jd2 h ILE 90 Cb 0.90 0.59 -0.02 0.00 0.47 0.00 0.00 36.82 38.76 1jd2 h ILE 90 CO 0.05 0.00 0.03 0.54 -3.07 0.00 0.00 178.15 175.70 1jd2 n ARG 90 N -4.27 3.59 -2.41 2.19 1.74 -1.25 -4.76 116.66 111.50 1jd2 n ARG 90 Ca 0.17 -3.00 -0.25 0.00 -0.77 0.00 0.00 57.85 53.99 1jd2 n ARG 90 Cb 0.89 -2.03 0.13 0.00 -1.02 0.00 0.00 32.46 30.44 1jd2 n ARG 90 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1jd2 s SER 91 N -1.51 3.94 0.33 0.55 0.15 0.38 -4.99 113.70 112.55 1jd2 s SER 91 Ca 0.48 -0.23 0.02 0.00 0.70 0.00 0.00 55.95 56.93 1jd2 s SER 91 Cb 0.38 -0.03 0.57 0.00 -1.71 0.00 0.00 66.02 65.24 1jd2 s SER 91 CO 0.11 -2.15 1.91 -0.09 1.20 0.00 0.00 173.24 174.22 1jd2 h ARG 92 N -0.87 0.70 -1.82 5.44 2.43 -1.94 -3.37 114.38 114.95 1jd2 h ARG 92 Ca -0.38 -0.11 -0.36 0.00 -0.81 0.00 0.00 59.98 58.32 1jd2 h ARG 92 Cb 1.25 -0.12 -0.29 0.00 -0.42 0.00 0.00 29.97 30.39 1jd2 h ARG 92 CO 0.38 0.59 -0.70 0.50 -1.51 0.00 0.00 179.97 179.24 1jd2 s ARG 93 N -5.28 0.78 0.29 0.20 3.52 -1.26 -5.14 118.95 112.06 1jd2 s ARG 93 Ca -0.09 -1.13 -0.28 0.00 -0.13 0.00 0.00 55.73 54.10 1jd2 s ARG 93 Cb 0.16 -0.71 -0.14 0.00 -1.56 0.00 0.00 34.95 32.71 1jd2 s ARG 93 CO 0.77 -1.26 1.09 -2.30 -0.81 0.00 0.00 175.30 172.79 1jd2 n PRO 94 N 3.74 1.53 -2.27 5.12 -0.02 -1.25 -4.90 135.00 136.95 1jd2 n PRO 94 Ca 0.16 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 1jd2 n PRO 94 Cb 0.48 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 1jd2 n PRO 94 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1jd2 s TYR 95 N -0.99 3.09 -1.03 6.00 2.02 -1.26 -4.92 117.35 120.25 1jd2 s TYR 95 Ca 0.59 0.98 -0.04 0.00 -0.37 0.00 0.00 57.07 58.23 1jd2 s TYR 95 Cb -0.68 -3.60 0.29 0.00 -0.40 0.00 0.00 41.96 37.57 1jd2 s TYR 95 CO 0.60 -2.11 1.30 1.04 -1.57 0.00 0.00 175.55 174.81 1jd2 n GLN 96 N 4.75 4.00 -4.08 -0.62 6.02 -1.26 -4.89 117.38 121.30 1jd2 n GLN 96 Ca 0.12 -4.55 -0.14 0.00 -0.01 0.00 0.00 57.00 52.42 1jd2 n GLN 96 Cb 0.44 -2.49 -0.13 0.00 1.02 0.00 0.00 30.24 29.08 1jd2 n GLN 96 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1jd2 s VAL 97 N -2.41 0.38 -0.04 5.09 1.01 -1.26 -1.83 120.40 121.35 1jd2 s VAL 97 Ca 0.32 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.81 1jd2 s VAL 97 Cb 0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 1jd2 s VAL 97 CO 0.05 -0.12 -0.23 0.20 0.00 0.00 0.00 175.10 175.00 1jd2 s ASN 98 N -0.72 3.29 0.12 3.32 0.01 0.09 -2.66 114.94 118.39 1jd2 s ASN 98 Ca -0.04 -0.41 0.05 0.00 -0.71 0.00 0.00 52.86 51.74 1jd2 s ASN 98 Cb -0.05 -0.58 -0.04 0.00 0.41 0.00 0.00 41.25 40.99 1jd2 s ASN 98 CO -0.00 0.31 -0.11 0.68 -1.51 0.00 0.00 177.10 176.46 1jd2 s VAL 99 N -0.52 1.12 -0.08 1.60 -7.23 -0.84 -0.66 120.40 113.78 1jd2 s VAL 99 Ca 0.07 -1.76 0.04 0.00 -1.81 0.00 0.00 61.98 58.53 1jd2 s VAL 99 Cb -0.11 -1.52 -0.00 0.00 0.56 0.00 0.00 36.38 35.30 1jd2 s VAL 99 CO 0.00 -0.55 -0.22 -0.76 -0.31 0.00 0.00 175.10 173.26 1jd2 s LEU 100 N -2.61 2.02 -0.10 1.32 1.43 0.47 -2.48 118.68 118.73 1jd2 s LEU 100 Ca 0.09 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1jd2 s LEU 100 Cb -0.02 -1.29 0.02 0.00 0.03 0.00 0.00 46.19 44.92 1jd2 s LEU 100 CO 0.01 0.17 -0.11 -0.63 0.23 0.00 0.00 176.35 176.02 1jd2 s ILE 101 N 0.21 1.15 -0.04 -0.59 1.01 0.04 -0.65 121.20 122.32 1jd2 s ILE 101 Ca -0.13 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.12 1jd2 s ILE 101 Cb -0.16 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.23 1jd2 s ILE 101 CO 0.06 0.38 -0.07 -0.83 0.00 0.00 0.00 174.94 174.48 1jd2 s GLY 102 N 1.21 0.53 0.23 6.18 0.00 -0.31 0.40 107.32 115.56 1jd2 s GLY 102 Ca -0.04 -0.19 -0.13 0.00 0.00 0.00 0.00 44.72 44.37 1jd2 s GLY 102 CO -0.03 0.23 0.45 -0.32 0.00 0.00 0.00 173.10 173.43 1jd2 s GLY 103 N 0.67 0.48 -0.15 0.20 0.00 -0.39 -1.47 107.32 106.65 1jd2 s GLY 103 Ca -0.10 -0.82 -0.02 0.00 0.00 0.00 0.00 44.72 43.77 1jd2 s GLY 103 CO 0.01 -0.63 -0.07 -0.47 0.00 0.00 0.00 173.10 171.94 1jd2 s TYR 104 N -4.00 2.94 0.00 1.90 6.14 -0.82 -1.11 117.35 122.39 1jd2 s TYR 104 Ca 0.21 -0.48 0.00 0.00 0.64 0.00 0.00 57.07 57.43 1jd2 s TYR 104 Cb 0.00 -1.93 0.00 0.00 0.42 0.00 0.00 41.96 40.46 1jd2 s TYR 104 CO 0.06 -0.14 0.00 -3.47 0.64 0.00 0.00 175.55 172.64 1jd2 n ASP 105 N 3.63 0.00 0.00 4.32 4.64 -0.37 -4.86 116.55 123.91 1jd2 n ASP 105 Ca -0.18 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.23 1jd2 n ASP 105 Cb 0.52 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.60 1jd2 n ASP 105 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1jd2 n LYS 105 N 0.00 0.00 -3.60 -0.67 5.02 -1.26 -3.84 118.16 113.81 1jd2 n LYS 105 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 1jd2 n LYS 105 Cb 0.00 -2.30 0.03 0.00 -0.02 0.00 0.00 35.03 32.74 1jd2 n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jd2 n ASN 106 N 0.00 -5.67 -3.58 4.39 3.02 -1.26 -5.02 115.26 107.14 1jd2 n ASN 106 Ca 0.00 -0.86 -0.16 0.00 -0.03 0.00 0.00 54.58 53.53 1jd2 n ASN 106 Cb 0.00 -3.42 -0.07 0.00 -0.61 0.00 0.00 39.78 35.69 1jd2 n ASN 106 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jd2 s LYS 107 N -5.32 0.94 0.31 3.52 1.02 -1.25 -5.13 119.74 113.81 1jd2 s LYS 107 Ca 0.32 0.41 -0.05 0.00 0.02 0.00 0.00 55.97 56.68 1jd2 s LYS 107 Cb -0.11 0.44 -0.05 0.00 -0.52 0.00 0.00 37.83 37.59 1jd2 s LYS 107 CO 0.85 -0.25 0.57 -1.25 -0.92 0.00 0.00 175.35 174.35 1jd2 s PRO 108 N -0.75 3.62 -0.02 -1.68 0.04 -1.26 -1.24 135.00 133.71 1jd2 s PRO 108 Ca -0.08 0.00 -0.10 0.00 0.04 0.00 0.00 61.00 60.86 1jd2 s PRO 108 Cb -0.02 -2.63 0.01 0.00 0.04 0.00 0.00 34.50 31.91 1jd2 s PRO 108 CO 0.07 0.18 0.22 -1.21 0.04 0.00 0.00 177.00 176.30 1jd2 s GLU 109 N -3.67 0.51 -0.06 4.56 2.02 -0.27 -4.94 118.70 116.85 1jd2 s GLU 109 Ca 0.44 -0.17 0.01 0.00 0.02 0.00 0.00 54.97 55.27 1jd2 s GLU 109 Cb -0.11 0.22 0.02 0.00 0.10 0.00 0.00 34.13 34.37 1jd2 s GLU 109 CO 0.31 -0.12 -0.06 -1.17 0.02 0.00 0.00 175.26 174.24 1jd2 s LEU 110 N -1.04 1.27 -0.05 1.80 2.96 -1.26 -1.26 118.68 121.09 1jd2 s LEU 110 Ca -0.11 -0.19 0.06 0.00 -0.22 0.00 0.00 54.13 53.68 1jd2 s LEU 110 Cb -0.06 -0.59 -0.01 0.00 0.50 0.00 0.00 46.19 46.03 1jd2 s LEU 110 CO 0.02 -0.06 -0.25 -0.31 -1.32 0.00 0.00 176.35 174.43 1jd2 s TYR 111 N 1.13 2.43 -0.11 5.38 2.02 0.16 -2.34 117.35 126.02 1jd2 s TYR 111 Ca -0.07 -0.65 0.02 0.00 -0.37 0.00 0.00 57.07 56.00 1jd2 s TYR 111 Cb -0.14 -1.58 -0.01 0.00 -0.40 0.00 0.00 41.96 39.83 1jd2 s TYR 111 CO -0.01 -0.17 -0.18 -1.14 -1.57 0.00 0.00 175.55 172.48 1jd2 s GLN 112 N -0.27 3.20 -0.03 -0.62 0.74 -0.72 -0.78 119.66 121.18 1jd2 s GLN 112 Ca -0.00 -0.78 -0.00 0.00 0.05 0.00 0.00 55.36 54.62 1jd2 s GLN 112 Cb -0.13 -2.46 0.03 0.00 1.10 0.00 0.00 33.01 31.55 1jd2 s GLN 112 CO 0.03 0.21 0.02 0.42 -0.55 0.00 0.00 175.29 175.42 1jd2 s ILE 113 N 0.31 0.02 0.44 -2.34 1.01 -1.03 -1.98 121.20 117.64 1jd2 s ILE 113 Ca -0.14 0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.75 1jd2 s ILE 113 Cb -0.17 -0.16 0.01 0.00 0.01 0.00 0.00 42.46 42.15 1jd2 s ILE 113 CO 0.07 0.12 0.62 1.51 0.00 0.00 0.00 174.94 177.27 1jd2 s ASP 114 N 1.21 5.63 0.31 3.58 3.84 -0.82 -1.99 116.67 128.43 1jd2 s ASP 114 Ca -0.07 -0.18 0.07 0.00 -0.00 0.00 0.00 52.55 52.37 1jd2 s ASP 114 Cb -0.13 -0.93 0.40 0.00 -1.38 0.00 0.00 42.92 40.88 1jd2 s ASP 114 CO -0.03 -0.80 1.05 0.00 -0.00 0.00 0.00 175.17 175.39 1jd2 n TYR 115 N -1.98 0.25 0.68 2.11 0.18 -1.09 0.49 117.16 117.80 1jd2 n TYR 115 Ca 0.06 0.13 0.12 0.00 1.88 0.00 0.00 57.90 60.09 1jd2 n TYR 115 Cb 0.59 -0.38 0.19 0.00 -0.38 0.00 0.00 39.34 39.35 1jd2 n TYR 115 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1jd2 n LEU 116 N -1.89 3.13 -1.16 -3.48 4.77 -1.26 -4.75 117.00 112.36 1jd2 n LEU 116 Ca -0.00 -1.22 -0.01 0.00 -0.03 0.00 0.00 56.01 54.74 1jd2 n LEU 116 Cb 0.49 -0.13 0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1jd2 n LEU 116 CO 0.03 0.61 0.01 0.61 -1.33 0.00 0.00 177.39 177.32 1jd2 n GLY 117 N 1.42 0.42 3.38 -0.72 0.00 0.18 -4.42 105.19 105.44 1jd2 n GLY 117 Ca 0.17 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 1jd2 n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jd2 s THR 118 N -3.03 4.42 0.09 2.61 2.01 -1.21 -4.82 115.64 115.70 1jd2 s THR 118 Ca 0.00 -0.73 0.07 0.00 0.31 0.00 0.00 61.69 61.34 1jd2 s THR 118 Cb -0.00 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1jd2 s THR 118 CO 0.06 -0.09 -0.11 -0.75 -0.69 0.00 0.00 174.62 173.04 1jd2 s LYS 119 N 1.55 2.16 -0.21 4.92 2.20 -1.26 -1.95 119.74 127.15 1jd2 s LYS 119 Ca 0.02 -0.99 -0.27 0.00 -0.36 0.00 0.00 55.97 54.37 1jd2 s LYS 119 Cb -0.18 -2.31 0.10 0.00 -1.51 0.00 0.00 37.83 33.92 1jd2 s LYS 119 CO 0.06 0.52 0.85 0.54 -0.36 0.00 0.00 175.35 176.96 1jd2 s VAL 120 N -1.16 0.00 -0.06 4.02 0.11 -0.84 -5.00 120.40 117.48 1jd2 s VAL 120 Ca 0.20 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.06 1jd2 s VAL 120 Cb -0.11 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.69 1jd2 s VAL 120 CO 0.12 0.00 0.52 -0.70 -3.33 0.00 0.00 175.10 171.71 1jd2 s GLU 121 N -0.27 4.28 0.03 1.54 2.12 -1.26 -1.75 118.70 123.40 1jd2 s GLU 121 Ca -0.02 0.58 -0.10 0.00 0.36 0.00 0.00 54.97 55.79 1jd2 s GLU 121 Cb -0.03 -3.37 0.01 0.00 0.26 0.00 0.00 34.13 30.99 1jd2 s GLU 121 CO 0.01 0.31 0.20 -0.51 -0.54 0.00 0.00 175.26 174.72 1jd2 s LEU 122 N 0.09 1.34 0.16 2.70 1.43 -0.99 -5.02 118.68 118.39 1jd2 s LEU 122 Ca 0.28 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 1jd2 s LEU 122 Cb -0.17 0.96 0.04 0.00 0.03 0.00 0.00 46.19 47.05 1jd2 s LEU 122 CO 0.14 -0.54 1.61 -0.65 0.23 0.00 0.00 176.35 177.14 1jd2 h PRO 123 N 3.54 0.97 -2.75 1.29 0.11 -1.92 -3.40 132.00 129.85 1jd2 h PRO 123 Ca -0.32 -0.32 -0.10 0.00 0.11 0.00 0.00 66.00 65.37 1jd2 h PRO 123 Cb 1.19 -0.08 -0.20 0.00 0.11 0.00 0.00 31.00 32.02 1jd2 h PRO 123 CO 0.47 0.99 -0.15 1.52 -0.21 0.00 0.00 178.00 180.62 1jd2 s TYR 124 N -4.98 -0.32 0.31 0.65 1.13 -1.26 0.53 117.35 113.41 1jd2 s TYR 124 Ca -0.12 0.54 -0.12 0.00 -1.41 0.00 0.00 57.07 55.96 1jd2 s TYR 124 Cb 0.12 0.18 0.02 0.00 -1.10 0.00 0.00 41.96 41.18 1jd2 s TYR 124 CO 0.84 -0.44 0.59 0.20 -2.51 0.00 0.00 175.55 174.23 1jd2 s GLY 125 N -1.21 0.66 0.28 5.49 0.00 -0.33 -4.97 107.32 107.23 1jd2 s GLY 125 Ca -0.12 -0.94 -0.21 0.00 0.00 0.00 0.00 44.72 43.45 1jd2 s GLY 125 CO 0.06 -0.57 0.73 0.00 0.00 0.00 0.00 173.10 173.31 1jd2 s ALA 126 N -3.33 -1.23 0.09 3.20 0.00 -1.26 -1.68 121.76 117.56 1jd2 s ALA 126 Ca 0.21 -0.30 0.06 0.00 0.00 0.00 0.00 51.96 51.94 1jd2 s ALA 126 Cb -0.02 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 1jd2 s ALA 126 CO 0.12 -1.04 -0.16 -1.01 0.00 0.00 0.00 175.76 173.67 1jd2 s HIS 127 N -3.88 1.42 0.00 0.00 3.76 -1.04 -4.79 115.29 110.76 1jd2 s HIS 127 Ca 0.11 -0.47 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 1jd2 s HIS 127 Cb -0.06 -0.78 0.00 0.00 1.11 0.00 0.00 32.58 32.86 1jd2 s HIS 127 CO 0.07 0.12 0.00 0.41 -0.85 0.00 0.00 174.74 174.49 1jd2 n GLY 128 N 1.02 1.39 0.13 -2.22 0.00 -1.26 -3.47 105.19 100.79 1jd2 n GLY 128 Ca -0.19 -0.62 0.06 0.00 0.00 0.00 0.00 46.02 45.26 1jd2 n GLY 128 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1jd2 h TYR 129 N 0.00 0.00 -0.97 1.61 0.05 -1.93 -3.36 116.97 112.36 1jd2 h TYR 129 Ca 0.00 0.00 0.22 0.00 0.05 0.00 0.00 58.73 59.00 1jd2 h TYR 129 Cb 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 37.62 1jd2 h TYR 129 CO 0.00 0.31 0.54 0.77 -1.05 0.00 0.00 178.16 178.73 1jd2 h SER 130 N 0.00 0.61 -0.77 3.88 0.02 -1.87 0.42 113.55 115.84 1jd2 h SER 130 Ca -0.05 0.13 0.07 0.00 -0.84 0.00 0.00 61.79 61.10 1jd2 h SER 130 Cb 1.28 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.81 1jd2 h SER 130 CO 0.03 0.12 0.50 1.23 -1.14 0.00 0.00 176.83 177.58 1jd2 h GLY 131 N 0.58 1.03 0.12 -3.77 0.00 -1.76 -2.33 103.07 96.94 1jd2 h GLY 131 Ca 0.60 -0.32 0.22 0.00 0.00 0.00 0.00 47.33 47.83 1jd2 h GLY 131 CO -0.46 0.23 0.63 0.74 0.00 0.00 0.00 176.54 177.68 1jd2 h PHE 132 N 0.80 0.73 0.08 5.60 0.04 -0.39 -1.63 116.94 122.16 1jd2 h PHE 132 Ca 0.33 0.02 -0.36 0.00 2.80 0.00 0.00 57.97 60.77 1jd2 h PHE 132 Cb 0.27 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.17 1jd2 h PHE 132 CO -0.00 0.15 -2.04 0.66 -0.60 0.00 0.00 178.31 176.47 1jd2 n TYR 133 N -4.61 0.91 -0.03 -0.55 4.01 -0.92 -4.61 117.16 111.36 1jd2 n TYR 133 Ca 0.22 0.22 -0.16 0.00 -0.16 0.00 0.00 57.90 58.02 1jd2 n TYR 133 Cb 0.72 -1.12 -0.08 0.00 -0.31 0.00 0.00 39.34 38.55 1jd2 n TYR 133 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1jd2 h THR 134 N -0.11 1.36 -0.82 -0.72 1.35 -1.23 -3.35 112.91 109.40 1jd2 h THR 134 Ca -0.46 -1.79 0.20 0.00 -0.55 0.00 0.00 66.41 63.81 1jd2 h THR 134 Cb 1.91 2.16 -0.14 0.00 -1.73 0.00 0.00 68.15 70.35 1jd2 h THR 134 CO -0.00 0.54 0.12 -0.26 -0.25 0.00 0.00 175.52 175.66 1jd2 h PHE 135 N 0.12 0.15 -0.73 4.73 -1.00 -1.55 0.33 116.94 118.99 1jd2 h PHE 135 Ca -0.03 0.05 0.10 0.00 2.81 0.00 0.00 57.97 60.91 1jd2 h PHE 135 Cb 1.11 0.06 -0.08 0.00 3.61 0.00 0.00 35.95 40.66 1jd2 h PHE 135 CO 0.11 -0.22 0.35 0.66 -1.61 0.00 0.00 178.31 177.60 1jd2 h SER 136 N 0.16 0.44 0.27 2.17 4.64 -1.82 0.86 113.55 120.28 1jd2 h SER 136 Ca 0.48 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.86 1jd2 h SER 136 Cb 0.91 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1jd2 h SER 136 CO -0.66 0.24 -0.13 -0.07 -0.87 0.00 0.00 176.83 175.34 1jd2 h LEU 137 N 0.58 -0.31 -0.05 5.97 3.38 -0.59 -2.09 115.31 122.21 1jd2 h LEU 137 Ca 0.37 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.23 1jd2 h LEU 137 Cb 0.43 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1jd2 h LEU 137 CO -0.30 -0.06 -0.03 -0.07 0.09 0.00 0.00 178.44 178.07 1jd2 h LEU 138 N -0.56 -0.09 -1.07 1.67 3.38 -0.60 0.37 115.31 118.40 1jd2 h LEU 138 Ca -0.04 0.02 0.29 0.00 0.09 0.00 0.00 57.88 58.24 1jd2 h LEU 138 Cb 0.41 0.05 -0.13 0.00 0.09 0.00 0.00 40.66 41.08 1jd2 h LEU 138 CO 0.06 -0.04 0.61 0.44 0.09 0.00 0.00 178.44 179.60 1jd2 h ASP 139 N -0.03 0.56 0.04 -0.43 3.32 0.77 -1.47 116.42 119.18 1jd2 h ASP 139 Ca 0.03 0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1jd2 h ASP 139 Cb 0.07 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1jd2 h ASP 139 CO -0.07 -0.01 -0.02 -0.74 -1.72 0.00 0.00 179.24 176.69 1jd2 h HIS 140 N 0.43 -0.05 -0.11 4.55 2.76 -0.32 -3.38 115.15 119.03 1jd2 h HIS 140 Ca 0.68 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.85 1jd2 h HIS 140 Cb 1.51 0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.48 1jd2 h HIS 140 CO -0.01 -0.03 0.00 0.72 -1.30 0.00 0.00 177.93 177.31 1jd2 n HIS 141 N -2.89 0.37 -3.75 5.26 8.25 0.11 -4.94 115.22 117.63 1jd2 n HIS 141 Ca -0.01 -0.13 -0.35 0.00 -0.26 0.00 0.00 57.72 56.97 1jd2 n HIS 141 Cb 0.02 -0.16 -0.05 0.00 1.12 0.00 0.00 29.99 30.92 1jd2 n HIS 141 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1jd2 s TYR 142 N -1.39 3.59 -0.13 4.41 5.04 -0.56 -4.98 117.35 123.33 1jd2 s TYR 142 Ca 0.10 0.61 -0.07 0.00 -2.44 0.00 0.00 57.07 55.28 1jd2 s TYR 142 Cb 0.07 -2.02 0.05 0.00 0.35 0.00 0.00 41.96 40.42 1jd2 s TYR 142 CO 0.03 0.63 0.30 1.03 -1.34 0.00 0.00 175.55 176.20 1jd2 s ARG 143 N -1.61 0.27 0.25 4.97 1.81 -1.26 -5.02 118.95 118.36 1jd2 s ARG 143 Ca 0.26 0.62 -0.03 0.00 -1.72 0.00 0.00 55.73 54.86 1jd2 s ARG 143 Cb -0.13 -0.08 0.48 0.00 -0.45 0.00 0.00 34.95 34.76 1jd2 s ARG 143 CO 0.14 -0.17 1.75 -1.35 -0.68 0.00 0.00 175.30 174.99 1jd2 h PRO 144 N 7.21 0.51 -1.82 3.54 0.11 -1.95 -2.51 132.00 137.10 1jd2 h PRO 144 Ca -0.39 -0.03 -0.27 0.00 0.11 0.00 0.00 66.00 65.42 1jd2 h PRO 144 Cb 1.16 -0.11 -0.11 0.00 0.11 0.00 0.00 31.00 32.05 1jd2 h PRO 144 CO 0.34 0.34 0.18 -0.40 -0.21 0.00 0.00 178.00 178.25 1jd2 n ASP 145 N -4.94 6.02 -4.78 -2.05 3.85 -1.26 -3.47 116.55 109.92 1jd2 n ASP 145 Ca 0.15 -2.86 -0.39 0.00 -0.71 0.00 0.00 54.79 50.98 1jd2 n ASP 145 Cb 0.41 -1.17 -0.06 0.00 -1.35 0.00 0.00 41.12 38.95 1jd2 n ASP 145 CO 0.00 0.00 0.00 -0.04 -1.01 0.00 0.00 177.20 176.15 1jd2 s MET 146 N -0.93 4.38 1.09 0.11 -1.94 -0.95 -4.90 119.30 116.17 1jd2 s MET 146 Ca 0.37 0.91 -0.16 0.00 -1.71 0.00 0.00 55.69 55.10 1jd2 s MET 146 Cb 0.24 -3.29 0.23 0.00 2.01 0.00 0.00 34.83 34.02 1jd2 s MET 146 CO -0.05 0.50 1.11 0.95 -0.01 0.00 0.00 175.02 177.52 1jd2 s THR 147 N -0.73 1.82 0.05 2.05 -4.23 -1.26 -2.68 115.64 110.66 1jd2 s THR 147 Ca 0.33 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.64 1jd2 s THR 147 Cb -0.20 -2.53 -0.14 0.00 1.34 0.00 0.00 72.50 70.97 1jd2 s THR 147 CO 0.21 0.00 1.38 0.74 -0.54 0.00 0.00 174.62 176.41 1jd2 h THR 148 N -2.19 1.33 -0.98 3.99 2.02 -1.97 -3.08 112.91 112.03 1jd2 h THR 148 Ca -0.50 -1.19 0.15 0.00 0.77 0.00 0.00 66.41 65.65 1jd2 h THR 148 Cb 1.31 1.78 -0.09 0.00 -1.74 0.00 0.00 68.15 69.41 1jd2 h THR 148 CO 0.46 0.35 0.62 -0.08 0.37 0.00 0.00 175.52 177.24 1jd2 h GLU 149 N -0.00 0.81 -0.67 6.66 4.57 -2.01 0.14 114.58 124.08 1jd2 h GLU 149 Ca 0.03 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1jd2 h GLU 149 Cb 0.60 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.97 1jd2 h GLU 149 CO 0.03 0.53 0.36 0.93 -1.18 0.00 0.00 179.01 179.68 1jd2 h GLU 150 N 0.83 0.92 0.29 1.92 5.08 -1.90 -2.75 114.58 118.98 1jd2 h GLU 150 Ca 0.52 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 1jd2 h GLU 150 Cb 0.72 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1jd2 h GLU 150 CO -0.29 0.68 -0.14 0.78 -1.00 0.00 0.00 179.01 179.04 1jd2 h GLY 151 N 0.99 -0.41 0.27 -3.84 0.00 -0.65 -2.19 103.07 97.24 1jd2 h GLY 151 Ca 0.24 0.15 0.18 0.00 0.00 0.00 0.00 47.33 47.90 1jd2 h GLY 151 CO -0.04 -0.15 0.61 1.41 0.00 0.00 0.00 176.54 178.37 1jd2 h LEU 152 N -0.68 0.68 -0.52 3.11 3.38 -1.38 0.28 115.31 120.19 1jd2 h LEU 152 Ca -0.04 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1jd2 h LEU 152 Cb 0.47 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1jd2 h LEU 152 CO 0.07 0.28 0.02 0.44 0.09 0.00 0.00 178.44 179.34 1jd2 h ASP 153 N 0.68 0.87 -0.53 -0.43 3.45 -1.36 -0.29 116.42 118.82 1jd2 h ASP 153 Ca 0.52 -0.29 0.02 0.00 0.43 0.00 0.00 57.03 57.71 1jd2 h ASP 153 Cb 0.91 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 39.41 1jd2 h ASP 153 CO -0.28 0.95 0.33 0.25 -1.57 0.00 0.00 179.24 178.92 1jd2 h LEU 154 N 0.77 0.54 -0.23 1.55 5.85 0.04 0.20 115.31 124.03 1jd2 h LEU 154 Ca 0.15 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1jd2 h LEU 154 Cb 0.49 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1jd2 h LEU 154 CO 0.02 0.38 0.10 -0.07 -0.34 0.00 0.00 178.44 178.53 1jd2 h LEU 155 N 0.65 0.30 -0.57 2.25 3.38 -0.43 -1.78 115.31 119.11 1jd2 h LEU 155 Ca 0.21 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.15 1jd2 h LEU 155 Cb -0.00 -0.08 -0.11 0.00 0.09 0.00 0.00 40.66 40.56 1jd2 h LEU 155 CO -0.08 0.36 -0.15 0.50 0.09 0.00 0.00 178.44 179.16 1jd2 h LYS 156 N 0.23 -0.01 -0.39 1.13 3.64 0.28 0.88 116.57 122.33 1jd2 h LYS 156 Ca 0.08 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 1jd2 h LYS 156 Cb 0.14 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1jd2 h LYS 156 CO -0.01 -0.00 0.26 1.25 -2.27 0.00 0.00 179.45 178.68 1jd2 h LEU 157 N -0.01 0.27 0.37 5.20 5.85 -0.29 -0.13 115.31 126.58 1jd2 h LEU 157 Ca 0.27 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 1jd2 h LEU 157 Cb 0.42 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1jd2 h LEU 157 CO -0.59 0.18 -0.18 0.00 -0.34 0.00 0.00 178.44 177.51 1jd2 h VAL 159 N -0.82 0.08 -0.03 0.00 2.07 -0.07 0.50 116.25 117.97 1jd2 h VAL 159 Ca -0.05 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1jd2 h VAL 159 Cb 0.38 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.14 1jd2 h VAL 159 CO 0.08 0.01 -0.36 1.56 0.02 0.00 0.00 177.57 178.88 1jd2 h GLN 160 N 0.03 -0.48 -0.74 1.57 4.20 -1.01 0.46 115.11 119.15 1jd2 h GLN 160 Ca 0.57 0.03 0.11 0.00 0.06 0.00 0.00 58.65 59.43 1jd2 h GLN 160 Cb 1.16 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 28.96 1jd2 h GLN 160 CO -0.87 -0.32 0.35 1.49 -0.67 0.00 0.00 178.83 178.81 1jd2 h GLU 161 N -0.50 0.55 0.11 1.46 4.57 0.48 -1.13 114.58 120.12 1jd2 h GLU 161 Ca 0.06 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1jd2 h GLU 161 Cb 0.60 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1jd2 h GLU 161 CO -0.31 0.36 -0.05 -0.07 -1.18 0.00 0.00 179.01 177.76 1jd2 h LEU 162 N 0.57 -0.12 -2.17 1.64 3.38 0.30 -0.51 115.31 118.39 1jd2 h LEU 162 Ca 0.38 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.28 1jd2 h LEU 162 Cb 0.47 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1jd2 h LEU 162 CO -0.32 0.06 0.26 -0.33 0.09 0.00 0.00 178.44 178.20 1jd2 h GLU 163 N -0.30 0.00 0.00 1.13 5.08 0.10 -1.05 114.58 119.54 1jd2 h GLU 163 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1jd2 h GLU 163 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1jd2 h GLU 163 CO 0.02 0.00 -0.14 -0.22 -1.00 0.00 0.00 179.01 177.67 1jd2 h LYS 164 N 0.00 0.00 -0.24 2.33 3.64 -0.72 -3.41 116.57 118.17 1jd2 h LYS 164 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1jd2 h LYS 164 Cb 0.62 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1jd2 h LYS 164 CO -0.00 0.44 0.00 0.54 -2.27 0.00 0.00 179.45 178.15 1jd2 n ARG 165 N -4.68 2.09 -4.04 1.90 5.12 -0.25 -4.93 116.66 111.87 1jd2 n ARG 165 Ca -0.07 -1.64 -0.34 0.00 -1.93 0.00 0.00 57.85 53.87 1jd2 n ARG 165 Cb 0.25 -1.45 -0.10 0.00 -1.16 0.00 0.00 32.46 30.00 1jd2 n ARG 165 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1jd2 s MET 166 N -1.69 3.95 0.22 5.56 1.75 -0.43 -5.01 119.30 123.64 1jd2 s MET 166 Ca 0.35 -0.36 -0.15 0.00 -1.25 0.00 0.00 55.69 54.28 1jd2 s MET 166 Cb 0.20 -3.19 0.24 0.00 2.84 0.00 0.00 34.83 34.93 1jd2 s MET 166 CO 0.29 0.27 1.60 -1.35 -0.65 0.00 0.00 175.02 175.18 1jd2 h PRO 167 N 6.70 -0.04 -6.14 4.11 0.11 -1.91 -3.42 132.00 131.40 1jd2 h PRO 167 Ca -0.36 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.16 1jd2 h PRO 167 Cb 1.17 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 1jd2 h PRO 167 CO 0.70 -0.03 -0.15 -1.64 -0.21 0.00 0.00 178.00 176.67 1jd2 s MET 168 N -6.17 3.96 -0.31 1.05 -1.94 -1.26 -5.06 119.30 109.58 1jd2 s MET 168 Ca -0.14 0.46 -0.24 0.00 -1.71 0.00 0.00 55.69 54.06 1jd2 s MET 168 Cb 0.20 -3.13 0.00 0.00 2.01 0.00 0.00 34.83 33.91 1jd2 s MET 168 CO 0.73 0.62 0.80 0.34 -0.01 0.00 0.00 175.02 177.50 1jd2 s ASP 169 N -1.32 6.68 -0.22 3.03 2.15 -1.26 -4.94 116.67 120.78 1jd2 s ASP 169 Ca 0.29 0.68 0.14 0.00 0.43 0.00 0.00 52.55 54.09 1jd2 s ASP 169 Cb -0.17 -2.41 0.80 0.00 -0.30 0.00 0.00 42.92 40.84 1jd2 s ASP 169 CO 0.16 -0.63 1.71 2.22 -0.17 0.00 0.00 175.17 178.47 1jd2 n PHE 170 N 6.23 2.01 -2.37 -5.34 1.16 -1.26 -4.94 117.46 112.94 1jd2 n PHE 170 Ca 0.04 -0.70 -0.09 0.00 -1.87 0.00 0.00 57.45 54.83 1jd2 n PHE 170 Cb 0.48 -0.49 -0.01 0.00 -1.61 0.00 0.00 39.48 37.85 1jd2 n PHE 170 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1jd2 n LYS 171 N 0.64 -2.35 0.00 3.97 4.76 -1.26 -3.07 118.16 120.84 1jd2 n LYS 171 Ca 0.27 0.44 0.00 0.00 -2.87 0.00 0.00 58.31 56.15 1jd2 n LYS 171 Cb 1.16 -4.98 0.00 0.00 -1.84 0.00 0.00 35.03 29.37 1jd2 n LYS 171 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jd2 n GLY 172 N -0.68 -2.81 3.41 0.72 0.00 -1.26 -4.55 105.19 100.01 1jd2 n GLY 172 Ca -0.11 -1.76 -0.20 0.00 0.00 0.00 0.00 46.02 43.95 1jd2 n GLY 172 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jd2 s VAL 173 N -0.70 0.88 -0.09 1.61 -7.23 -1.26 -1.15 120.40 112.46 1jd2 s VAL 173 Ca 0.00 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 1jd2 s VAL 173 Cb 0.00 -2.69 0.01 0.00 0.56 0.00 0.00 36.38 34.26 1jd2 s VAL 173 CO 0.00 0.00 -0.17 -0.63 -0.31 0.00 0.00 175.10 173.99 1jd2 s ILE 174 N -3.46 1.56 0.06 -0.62 1.01 -0.68 -4.84 121.20 114.23 1jd2 s ILE 174 Ca 0.36 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 60.36 1jd2 s ILE 174 Cb 0.08 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 1jd2 s ILE 174 CO 0.15 0.45 -0.11 -0.69 0.00 0.00 0.00 174.94 174.74 1jd2 s VAL 175 N 0.69 3.33 -0.02 2.92 1.01 -1.26 -1.97 120.40 125.11 1jd2 s VAL 175 Ca -0.13 -1.10 -0.05 0.00 0.00 0.00 0.00 61.98 60.70 1jd2 s VAL 175 Cb -0.16 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1jd2 s VAL 175 CO 0.03 0.24 0.10 -0.54 0.00 0.00 0.00 175.10 174.94 1jd2 s LYS 176 N -1.81 0.31 -0.01 2.72 1.02 -0.47 -2.62 119.74 118.87 1jd2 s LYS 176 Ca 0.19 -0.19 0.08 0.00 0.02 0.00 0.00 55.97 56.07 1jd2 s LYS 176 Cb -0.11 0.13 -0.02 0.00 -0.52 0.00 0.00 37.83 37.31 1jd2 s LYS 176 CO 0.10 -0.06 -0.25 0.42 -0.92 0.00 0.00 175.35 174.64 1jd2 s ILE 177 N -0.76 2.19 -0.16 2.17 1.01 -0.21 -1.28 121.20 124.15 1jd2 s ILE 177 Ca -0.08 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.45 1jd2 s ILE 177 Cb -0.05 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.64 1jd2 s ILE 177 CO 0.01 0.54 -0.15 -0.69 0.00 0.00 0.00 174.94 174.64 1jd2 s VAL 178 N -0.66 2.62 0.37 2.92 1.01 -0.57 -1.88 120.40 124.21 1jd2 s VAL 178 Ca 0.11 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1jd2 s VAL 178 Cb -0.10 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1jd2 s VAL 178 CO -0.00 0.51 0.53 1.51 0.00 0.00 0.00 175.10 177.65 1jd2 s ASP 179 N 0.88 0.96 0.36 3.32 -4.77 0.13 -2.51 116.67 115.04 1jd2 s ASP 179 Ca -0.04 -1.51 0.18 0.00 -3.30 0.00 0.00 52.55 47.88 1jd2 s ASP 179 Cb -0.15 0.71 1.18 0.00 -1.09 0.00 0.00 42.92 43.57 1jd2 s ASP 179 CO -0.01 -1.39 1.65 0.07 0.70 0.00 0.00 175.17 176.19 1jd2 h LYS 180 N 2.06 0.24 -0.13 2.11 2.10 -1.96 0.41 116.57 121.39 1jd2 h LYS 180 Ca -0.29 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1jd2 h LYS 180 Cb 1.24 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1jd2 h LYS 180 CO 0.39 0.16 0.00 -0.25 -2.00 0.00 0.00 179.45 177.74 1jd2 n ASP 181 N -5.00 0.93 0.00 7.07 8.00 -1.26 -5.01 116.55 121.28 1jd2 n ASP 181 Ca 0.33 -1.75 0.00 0.00 0.71 0.00 0.00 54.79 54.08 1jd2 n ASP 181 Cb 1.09 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 42.11 1jd2 n ASP 181 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jd2 n GLY 183 N 0.90 0.16 3.14 0.44 0.00 0.14 -5.01 105.19 104.96 1jd2 n GLY 183 Ca 0.11 -1.91 -0.26 0.00 0.00 0.00 0.00 46.02 43.96 1jd2 n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jd2 s ILE 184 N 0.00 1.47 0.03 -0.61 1.01 -1.26 -0.69 121.20 121.14 1jd2 s ILE 184 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 1jd2 s ILE 184 Cb 0.00 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 1jd2 s ILE 184 CO 0.00 0.42 -0.01 0.00 0.00 0.00 0.00 174.94 175.36 1jd2 s ARG 185 N 0.02 0.41 -0.21 2.79 1.70 -0.78 -5.01 118.95 117.87 1jd2 s ARG 185 Ca -0.04 -0.72 -0.07 0.00 -0.47 0.00 0.00 55.73 54.43 1jd2 s ARG 185 Cb -0.12 0.15 -0.03 0.00 -0.57 0.00 0.00 34.95 34.38 1jd2 s ARG 185 CO 0.02 -0.07 0.05 -1.14 -1.08 0.00 0.00 175.30 173.08 1jd2 s GLN 186 N -2.03 3.78 -0.70 3.89 0.74 -1.26 -1.05 119.66 123.03 1jd2 s GLN 186 Ca -0.11 -0.43 -0.27 0.00 0.05 0.00 0.00 55.36 54.60 1jd2 s GLN 186 Cb -0.06 -3.21 0.01 0.00 1.10 0.00 0.00 33.01 30.85 1jd2 s GLN 186 CO -0.03 0.07 1.54 0.08 -0.55 0.00 0.00 175.29 176.40 1jd2 s VAL 187 N 0.91 3.57 -1.68 1.34 1.01 -1.08 -4.86 120.40 119.62 1jd2 s VAL 187 Ca 0.03 0.27 0.14 0.00 0.00 0.00 0.00 61.98 62.41 1jd2 s VAL 187 Cb -0.14 -4.51 0.31 0.00 0.00 0.00 0.00 36.38 32.04 1jd2 s VAL 187 CO 0.02 -1.46 1.32 -0.90 0.00 0.00 0.00 175.10 174.09 1jd2 n ASP 188 N 10.84 0.00 -3.99 3.32 3.85 -1.26 -4.40 116.55 124.91 1jd2 n ASP 188 Ca 0.12 -0.14 -0.31 0.00 -0.71 0.00 0.00 54.79 53.75 1jd2 n ASP 188 Cb 0.50 -0.16 -0.14 0.00 -1.35 0.00 0.00 41.12 39.97 1jd2 n ASP 188 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.20 177.70 1jd2 s ASP 189 N -2.32 4.54 0.00 -1.12 -4.77 -1.26 -4.82 116.67 106.91 1jd2 s ASP 189 Ca 0.17 -2.60 0.00 0.00 -3.30 0.00 0.00 52.55 46.82 1jd2 s ASP 189 Cb 0.09 -1.64 0.00 0.00 -1.09 0.00 0.00 42.92 40.29 1jd2 s ASP 189 CO 0.19 -0.30 0.00 0.33 0.70 0.00 0.00 175.17 176.08 1jd2 n PHE 190 N 3.66 0.00 0.35 2.11 -0.00 -1.26 -4.78 117.46 117.54 1jd2 n PHE 190 Ca 0.04 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.56 1jd2 n PHE 190 Cb 0.37 0.00 0.28 0.00 -0.00 0.00 0.00 39.48 40.12 1jd2 n PHE 190 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1jd2 n GLN 191 N 0.00 0.03 0.00 -4.13 3.00 -1.26 -4.58 117.38 110.44 1jd2 n GLN 191 Ca 0.00 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 1jd2 n GLN 191 Cb 0.06 -1.58 0.00 0.00 0.00 0.00 0.00 30.24 28.72 1jd2 n GLN 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jd2 n ALA 192 N -1.55 0.00 -0.84 -1.58 0.00 -1.26 -5.18 120.51 110.09 1jd2 n ALA 192 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1jd2 n ALA 192 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1jd2 n ALA 192 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44