#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jb3 h LEU 7 N 0.00 0.29 -0.89 -4.62 5.85 -2.02 -0.73 115.31 113.18 1jb3 h LEU 7 Ca 0.00 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.89 1jb3 h LEU 7 Cb 0.00 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.04 1jb3 h LEU 7 CO 0.00 0.13 0.56 -0.61 -0.34 0.00 0.00 178.44 178.17 1jb3 h GLN 8 N 0.46 0.97 -0.23 1.25 4.15 -1.99 0.26 115.11 119.97 1jb3 h GLN 8 Ca 0.39 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.61 1jb3 h GLN 8 Cb 0.55 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1jb3 h GLN 8 CO -0.37 0.64 -0.40 -0.09 -1.93 0.00 0.00 178.83 176.68 1jb3 h ARG 9 N 0.99 0.67 -0.41 1.69 2.43 -1.66 -1.06 114.38 117.03 1jb3 h ARG 9 Ca 0.40 -0.42 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1jb3 h ARG 9 Cb 0.21 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1jb3 h ARG 9 CO -0.19 1.04 0.26 0.00 -1.51 0.00 0.00 179.97 179.57 1jb3 h ARG 10 N 0.38 0.51 -0.73 0.20 3.08 -0.53 0.93 114.38 118.22 1jb3 h ARG 10 Ca 0.01 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1jb3 h ARG 10 Cb 0.99 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.90 1jb3 h ARG 10 CO 0.09 0.34 0.20 1.49 -1.07 0.00 0.00 179.97 181.02 1jb3 h GLU 11 N 0.52 1.16 -0.35 0.04 4.22 -0.49 -2.38 114.58 117.30 1jb3 h GLU 11 Ca 0.15 -0.26 -0.08 0.00 0.08 0.00 0.00 59.36 59.25 1jb3 h GLU 11 Cb -0.03 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1jb3 h GLU 11 CO -0.05 1.00 -0.10 0.93 -2.18 0.00 0.00 179.01 178.60 1jb3 h GLU 12 N 1.10 0.61 -0.09 1.92 4.39 -0.60 -3.02 114.58 118.90 1jb3 h GLU 12 Ca 0.23 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1jb3 h GLU 12 Cb 0.34 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1jb3 h GLU 12 CO -0.00 0.70 0.00 0.39 -1.16 0.00 0.00 179.01 178.94 1jb3 n GLU 13 N -4.19 1.69 -4.04 2.33 1.02 0.27 -4.70 120.64 113.02 1jb3 n GLU 13 Ca 0.01 -1.03 -0.33 0.00 -0.02 0.00 0.00 57.16 55.80 1jb3 n GLU 13 Cb 0.33 -1.44 -0.15 0.00 -0.02 0.00 0.00 31.44 30.16 1jb3 n GLU 13 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jb3 s ALA 14 N -1.90 2.62 -0.59 0.62 0.00 -0.92 -4.91 121.76 116.68 1jb3 s ALA 14 Ca 0.35 -1.76 0.25 0.00 0.00 0.00 0.00 51.96 50.81 1jb3 s ALA 14 Cb 0.19 -1.65 0.87 0.00 0.00 0.00 0.00 23.12 22.53 1jb3 s ALA 14 CO 0.30 -1.20 1.75 -0.91 0.00 0.00 0.00 175.76 175.70 1jb3 h ASN 15 N 7.82 0.00 -3.47 0.00 2.35 -1.79 -3.43 115.58 117.06 1jb3 h ASN 15 Ca -0.20 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.10 1jb3 h ASN 15 Cb 1.05 0.00 -0.33 0.00 0.05 0.00 0.00 38.32 39.08 1jb3 h ASN 15 CO 0.48 0.00 -0.79 -0.69 -1.65 0.00 0.00 177.43 174.78 1jb3 s VAL 16 N -3.21 0.80 -0.07 2.81 1.01 -0.62 -3.57 120.40 117.55 1jb3 s VAL 16 Ca 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1jb3 s VAL 16 Cb 0.11 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.75 1jb3 s VAL 16 CO 0.52 0.28 -0.05 -0.69 0.00 0.00 0.00 175.10 175.16 1jb3 s VAL 17 N 0.75 0.67 0.14 2.92 1.01 0.21 -0.57 120.40 125.54 1jb3 s VAL 17 Ca -0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 1jb3 s VAL 17 Cb -0.15 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1jb3 s VAL 17 CO 0.02 0.28 0.15 -1.48 0.00 0.00 0.00 175.10 174.06 1jb3 s LEU 18 N 1.29 1.46 0.05 3.92 0.05 -0.65 -0.22 118.68 124.59 1jb3 s LEU 18 Ca -0.05 -1.07 0.07 0.00 0.05 0.00 0.00 54.13 53.14 1jb3 s LEU 18 Cb -0.14 0.66 -0.03 0.00 -2.05 0.00 0.00 46.19 44.62 1jb3 s LEU 18 CO -0.02 -0.79 -0.16 0.28 -0.55 0.00 0.00 176.35 175.11 1jb3 s THR 19 N -4.01 2.98 -0.03 5.48 -1.32 -0.11 0.37 115.64 118.99 1jb3 s THR 19 Ca 0.21 -1.18 -0.30 0.00 -1.21 0.00 0.00 61.69 59.21 1jb3 s THR 19 Cb 0.06 -2.29 0.11 0.00 -1.51 0.00 0.00 72.50 68.87 1jb3 s THR 19 CO 0.01 0.29 1.32 -0.83 -2.21 0.00 0.00 174.62 173.19 1jb3 s GLY 20 N -1.61 -0.26 -0.03 6.08 0.00 -0.89 -0.24 107.32 110.37 1jb3 s GLY 20 Ca 0.16 0.35 0.06 0.00 0.00 0.00 0.00 44.72 45.29 1jb3 s GLY 20 CO 0.07 3.54 -0.23 -0.51 0.00 0.00 0.00 173.10 175.97 1jb3 s THR 21 N -2.13 1.81 -0.05 0.90 -4.23 -0.33 -1.93 115.64 109.68 1jb3 s THR 21 Ca 0.24 -0.96 -0.30 0.00 -1.18 0.00 0.00 61.69 59.49 1jb3 s THR 21 Cb 0.02 -1.52 -0.06 0.00 1.34 0.00 0.00 72.50 72.29 1jb3 s THR 21 CO -0.03 0.51 1.65 -0.69 -0.54 0.00 0.00 174.62 175.52 1jb3 s VAL 22 N -0.33 3.57 -0.18 2.29 1.01 0.38 -0.68 120.40 126.46 1jb3 s VAL 22 Ca 0.03 0.71 0.17 0.00 0.00 0.00 0.00 61.98 62.89 1jb3 s VAL 22 Cb -0.11 -3.46 -0.25 0.00 0.00 0.00 0.00 36.38 32.57 1jb3 s VAL 22 CO 0.01 -0.06 0.15 -0.62 0.00 0.00 0.00 175.10 174.58 1jb3 n GLU 23 N 7.06 0.68 -3.63 2.72 1.02 0.67 -0.56 120.64 128.61 1jb3 n GLU 23 Ca 0.17 0.03 -0.12 0.00 -0.02 0.00 0.00 57.16 57.22 1jb3 n GLU 23 Cb 0.43 -1.55 -0.07 0.00 -0.02 0.00 0.00 31.44 30.22 1jb3 n GLU 23 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1jb3 s GLU 24 N -2.52 0.79 -0.12 3.49 2.12 -1.11 -4.83 118.70 116.52 1jb3 s GLU 24 Ca -0.09 1.07 -0.27 0.00 0.36 0.00 0.00 54.97 56.04 1jb3 s GLU 24 Cb 0.06 0.32 -0.02 0.00 0.26 0.00 0.00 34.13 34.76 1jb3 s GLU 24 CO 0.83 -0.12 0.89 0.42 -0.54 0.00 0.00 175.26 176.74 1jb3 s ILE 25 N 0.79 4.87 0.00 -3.70 1.09 -1.26 -0.27 121.20 122.71 1jb3 s ILE 25 Ca -0.03 1.78 0.00 0.00 -1.10 0.00 0.00 60.65 61.30 1jb3 s ILE 25 Cb -0.05 -4.20 0.00 0.00 -1.06 0.00 0.00 42.46 37.15 1jb3 s ILE 25 CO -0.06 0.05 0.00 0.23 -0.10 0.00 0.00 174.94 175.06 1jb3 n MET 26 N 4.90 2.84 -2.20 2.79 2.81 0.33 -4.93 117.12 123.66 1jb3 n MET 26 Ca 0.05 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.62 1jb3 n MET 26 Cb 0.49 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.99 1jb3 n MET 26 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1jb3 s ASN 27 N -1.00 6.17 0.29 7.83 0.02 -1.26 -4.53 114.94 122.46 1jb3 s ASN 27 Ca 0.00 1.70 -0.17 0.00 -1.02 0.00 0.00 52.86 53.37 1jb3 s ASN 27 Cb 0.00 -2.52 -0.09 0.00 0.02 0.00 0.00 41.25 38.66 1jb3 s ASN 27 CO 0.00 -0.90 0.73 -0.69 0.02 0.00 0.00 177.10 176.26 1jb3 s VAL 28 N -2.54 4.64 -0.54 1.60 1.01 -1.26 -2.01 120.40 121.30 1jb3 s VAL 28 Ca 0.61 1.07 -0.12 0.00 0.00 0.00 0.00 61.98 63.55 1jb3 s VAL 28 Cb -0.13 -3.70 0.14 0.00 0.00 0.00 0.00 36.38 32.69 1jb3 s VAL 28 CO 0.35 -0.05 0.45 -0.62 0.00 0.00 0.00 175.10 175.23 1jb3 s ASP 29 N -2.05 5.95 0.41 3.32 3.68 0.38 -4.95 116.67 123.41 1jb3 s ASP 29 Ca 0.50 -2.01 0.08 0.00 2.13 0.00 0.00 52.55 53.25 1jb3 s ASP 29 Cb -0.12 -2.09 0.88 0.00 -1.45 0.00 0.00 42.92 40.14 1jb3 s ASP 29 CO 0.19 -0.72 2.05 1.55 0.13 0.00 0.00 175.17 178.37 1jb3 h PRO 30 N 8.44 0.52 -0.24 4.34 0.13 -1.96 0.29 132.00 143.52 1jb3 h PRO 30 Ca -0.20 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 64.73 1jb3 h PRO 30 Cb 1.07 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 1jb3 h PRO 30 CO 0.90 0.35 -0.54 0.28 -0.23 0.00 0.00 178.00 178.76 1jb3 h VAL 31 N 0.54 1.30 -0.23 1.56 2.07 -1.96 -3.29 116.25 116.24 1jb3 h VAL 31 Ca 0.16 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.93 1jb3 h VAL 31 Cb -0.00 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1jb3 h VAL 31 CO -0.04 0.56 0.00 1.41 0.02 0.00 0.00 177.57 179.52 1jb3 n HIS 32 N -3.98 0.30 -3.44 1.57 8.25 -1.11 -5.00 115.22 111.80 1jb3 n HIS 32 Ca -0.04 -0.21 -0.18 0.00 -0.26 0.00 0.00 57.72 57.04 1jb3 n HIS 32 Cb 0.61 -0.01 0.09 0.00 1.12 0.00 0.00 29.99 31.80 1jb3 n HIS 32 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1jb3 n HIS 33 N 1.00 -2.29 -4.21 4.41 -0.00 0.06 -4.91 115.22 109.27 1jb3 n HIS 33 Ca 0.13 0.94 -0.14 0.00 0.46 0.00 0.00 57.72 59.11 1jb3 n HIS 33 Cb 0.46 -5.02 -0.09 0.00 -0.12 0.00 0.00 29.99 25.23 1jb3 n HIS 33 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 1jb3 s THR 34 N -3.34 0.00 0.09 3.57 -1.32 -1.04 -4.40 115.64 109.20 1jb3 s THR 34 Ca 0.12 -1.97 -0.03 0.00 -1.21 0.00 0.00 61.69 58.61 1jb3 s THR 34 Cb -0.05 -2.49 -0.03 0.00 -1.51 0.00 0.00 72.50 68.41 1jb3 s THR 34 CO 0.72 0.00 0.05 -0.72 -2.21 0.00 0.00 174.62 172.46 1jb3 s TYR 35 N -3.92 0.59 0.26 9.09 -0.85 -0.13 0.14 117.35 122.53 1jb3 s TYR 35 Ca 0.39 -1.05 0.10 0.00 -0.52 0.00 0.00 57.07 55.99 1jb3 s TYR 35 Cb 0.05 -0.36 -0.04 0.00 0.38 0.00 0.00 41.96 41.99 1jb3 s TYR 35 CO 0.17 -0.48 -0.05 -1.12 -1.52 0.00 0.00 175.55 172.55 1jb3 s SER 36 N -2.96 4.35 0.02 -0.18 0.01 -0.85 -1.73 113.70 112.35 1jb3 s SER 36 Ca 0.14 -0.70 -0.02 0.00 1.31 0.00 0.00 55.95 56.68 1jb3 s SER 36 Cb 0.07 -0.74 -0.02 0.00 0.21 0.00 0.00 66.02 65.55 1jb3 s SER 36 CO -0.05 0.02 0.01 0.00 0.41 0.00 0.00 173.24 173.63 1jb3 s LYS 38 N -1.49 4.30 -0.05 0.00 2.20 0.63 -0.78 119.74 124.55 1jb3 s LYS 38 Ca -0.15 0.58 0.05 0.00 -0.36 0.00 0.00 55.97 56.08 1jb3 s LYS 38 Cb -0.09 -3.49 -0.01 0.00 -1.51 0.00 0.00 37.83 32.73 1jb3 s LYS 38 CO -0.01 -0.01 -0.21 0.08 -0.36 0.00 0.00 175.35 174.84 1jb3 s VAL 39 N 1.14 1.75 -0.39 4.02 1.01 0.10 -0.24 120.40 127.80 1jb3 s VAL 39 Ca 0.29 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 1jb3 s VAL 39 Cb -0.16 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.74 1jb3 s VAL 39 CO 0.12 0.49 0.68 -0.60 0.00 0.00 0.00 175.10 175.79 1jb3 s ARG 40 N -0.01 3.55 0.25 2.72 3.52 0.15 -0.98 118.95 128.14 1jb3 s ARG 40 Ca -0.05 -0.05 -0.30 0.00 -0.13 0.00 0.00 55.73 55.21 1jb3 s ARG 40 Cb -0.13 -3.86 -0.09 0.00 -1.56 0.00 0.00 34.95 29.30 1jb3 s ARG 40 CO 0.03 -0.88 1.17 0.08 -0.81 0.00 0.00 175.30 174.90 1jb3 s VAL 41 N 2.87 3.41 0.00 7.11 1.01 0.14 -1.19 120.40 133.75 1jb3 s VAL 41 Ca 0.26 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.55 1jb3 s VAL 41 Cb -0.14 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1jb3 s VAL 41 CO 0.17 0.27 0.00 1.87 0.00 0.00 0.00 175.10 177.41 1jb3 n TRP 42 N 1.68 0.00 -4.19 5.22 -0.00 0.67 -4.92 117.44 115.90 1jb3 n TRP 42 Ca 0.01 0.00 -0.19 0.00 -0.00 0.00 0.00 57.50 57.32 1jb3 n TRP 42 Cb 0.44 -0.04 -0.12 0.00 -0.00 0.00 0.00 31.31 31.59 1jb3 n TRP 42 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 1jb3 s ARG 43 N -0.60 0.86 -0.09 5.87 0.52 -1.24 -5.00 118.95 119.28 1jb3 s ARG 43 Ca 0.00 -0.99 -0.16 0.00 -0.52 0.00 0.00 55.73 54.06 1jb3 s ARG 43 Cb 0.00 -0.91 -0.05 0.00 0.52 0.00 0.00 34.95 34.51 1jb3 s ARG 43 CO 0.00 0.20 0.41 0.71 0.02 0.00 0.00 175.30 176.64 1jb3 s TYR 44 N -1.27 3.57 -0.08 -0.53 1.51 -1.26 -0.94 117.35 118.35 1jb3 s TYR 44 Ca -0.01 0.85 0.21 0.00 -1.01 0.00 0.00 57.07 57.12 1jb3 s TYR 44 Cb -0.10 -2.41 -0.27 0.00 -0.11 0.00 0.00 41.96 39.07 1jb3 s TYR 44 CO 0.03 0.34 0.55 1.28 -1.11 0.00 0.00 175.55 176.64 1jb3 n LEU 45 N 3.03 0.18 -3.63 -1.29 4.77 0.70 -4.95 117.00 115.80 1jb3 n LEU 45 Ca -0.11 0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 55.83 1jb3 n LEU 45 Cb 0.52 0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.58 1jb3 n LEU 45 CO 0.40 0.02 0.58 -0.75 -1.33 0.00 0.00 177.39 176.32 1jb3 s LYS 46 N -3.37 0.68 -0.34 3.23 2.20 -0.44 -4.91 119.74 116.78 1jb3 s LYS 46 Ca -0.07 0.77 0.00 0.00 -0.36 0.00 0.00 55.97 56.32 1jb3 s LYS 46 Cb 0.12 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.77 1jb3 s LYS 46 CO 0.88 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 176.19 1jb3 n GLY 47 N 2.38 0.46 0.35 5.54 0.00 -1.23 -0.62 105.19 112.07 1jb3 n GLY 47 Ca -0.13 -0.84 0.02 0.00 0.00 0.00 0.00 46.02 45.07 1jb3 n GLY 47 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jb3 h LYS 48 N 0.00 0.93 -0.53 1.61 3.64 -1.91 -1.61 116.57 118.70 1jb3 h LYS 48 Ca -0.08 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 1jb3 h LYS 48 Cb 0.60 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1jb3 h LYS 48 CO 0.10 0.61 0.13 0.38 -2.27 0.00 0.00 179.45 178.40 1jb3 h ASP 49 N 0.95 0.76 -0.26 4.20 -0.00 -1.97 0.12 116.42 120.23 1jb3 h ASP 49 Ca 0.29 -0.14 -0.03 0.00 -0.00 0.00 0.00 57.03 57.16 1jb3 h ASP 49 Cb -0.01 -0.20 -0.01 0.00 -0.00 0.00 0.00 39.33 39.12 1jb3 h ASP 49 CO -0.08 0.75 0.05 0.40 -0.00 0.00 0.00 179.24 180.36 1jb3 h ILE 50 N 0.79 1.22 -0.35 4.15 2.04 -1.69 -1.27 117.51 122.40 1jb3 h ILE 50 Ca 0.17 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1jb3 h ILE 50 Cb 0.29 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1jb3 h ILE 50 CO -0.00 0.24 0.14 0.58 0.00 0.00 0.00 178.15 179.11 1jb3 h VAL 51 N 0.25 1.18 -0.92 1.67 2.07 -1.02 0.22 116.25 119.70 1jb3 h VAL 51 Ca 0.08 -0.56 0.10 0.00 0.82 0.00 0.00 66.70 67.14 1jb3 h VAL 51 Cb 0.31 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 1jb3 h VAL 51 CO 0.00 0.20 0.56 0.74 0.02 0.00 0.00 177.57 179.09 1jb3 h THR 52 N 0.42 0.95 0.00 2.57 2.02 -0.59 0.10 112.91 118.39 1jb3 h THR 52 Ca 0.12 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 1jb3 h THR 52 Cb 0.17 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.52 1jb3 h THR 52 CO -0.01 0.17 -1.02 0.45 0.37 0.00 0.00 175.52 175.48 1jb3 h HIS 53 N 0.94 0.00 0.00 3.16 3.86 -0.97 -3.41 115.15 118.73 1jb3 h HIS 53 Ca 0.43 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.64 1jb3 h HIS 53 Cb 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1jb3 h HIS 53 CO -0.03 0.08 -0.33 0.39 0.86 0.00 0.00 177.93 178.90 1jb3 n GLU 54 N -2.72 4.91 -5.08 2.45 1.02 0.74 -5.01 120.64 116.95 1jb3 n GLU 54 Ca -0.01 -0.01 -0.30 0.00 -0.02 0.00 0.00 57.16 56.82 1jb3 n GLU 54 Cb 0.59 -0.74 -0.17 0.00 -0.02 0.00 0.00 31.44 31.10 1jb3 n GLU 54 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1jb3 s ILE 55 N -1.49 1.85 -0.71 -3.67 -1.09 0.33 -4.90 121.20 111.54 1jb3 s ILE 55 Ca 0.01 -0.90 -0.26 0.00 -2.23 0.00 0.00 60.65 57.27 1jb3 s ILE 55 Cb 0.03 -1.61 0.04 0.00 -1.58 0.00 0.00 42.46 39.33 1jb3 s ILE 55 CO 0.15 0.51 1.21 -0.76 -1.23 0.00 0.00 174.94 174.83 1jb3 s LEU 56 N 0.39 3.40 0.67 2.97 1.43 -1.26 -4.69 118.68 121.59 1jb3 s LEU 56 Ca -0.17 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.29 1jb3 s LEU 56 Cb -0.17 -2.60 0.01 0.00 0.03 0.00 0.00 46.19 43.45 1jb3 s LEU 56 CO 0.08 -1.73 1.18 -0.76 0.23 0.00 0.00 176.35 175.34 1jb3 s LEU 57 N 5.36 3.43 -0.20 1.79 1.43 -1.26 -4.99 118.68 124.24 1jb3 s LEU 57 Ca 0.34 2.25 -0.04 0.00 -1.03 0.00 0.00 54.13 55.65 1jb3 s LEU 57 Cb -0.09 -4.58 -0.01 0.00 0.03 0.00 0.00 46.19 41.53 1jb3 s LEU 57 CO 0.15 -1.89 -0.04 -0.62 0.23 0.00 0.00 176.35 174.18 1jb3 s ASP 58 N -2.09 4.39 -1.76 2.29 2.15 -0.29 -4.52 116.67 116.85 1jb3 s ASP 58 Ca 0.73 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 53.37 1jb3 s ASP 58 Cb -0.27 -1.74 0.00 0.00 -0.30 0.00 0.00 42.92 40.61 1jb3 s ASP 58 CO 0.41 0.02 0.00 0.61 -0.17 0.00 0.00 175.17 176.04 1jb3 n GLY 59 N 4.50 0.98 2.82 2.66 0.00 -1.26 -0.54 105.19 114.35 1jb3 n GLY 59 Ca -0.18 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1jb3 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jb3 n GLY 60 N -0.87 1.86 0.38 -0.02 0.00 -1.26 -4.62 105.19 100.67 1jb3 n GLY 60 Ca -0.19 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 45.65 1jb3 n GLY 60 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jb3 n ASN 61 N 1.47 0.42 -4.58 1.61 0.23 -1.15 -4.96 115.26 108.31 1jb3 n ASN 61 Ca 0.00 -2.10 -0.34 0.00 -0.53 0.00 0.00 54.58 51.61 1jb3 n ASN 61 Cb 0.00 -0.22 -0.11 0.00 -2.08 0.00 0.00 39.78 37.38 1jb3 n ASN 61 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1jb3 s LYS 62 N -0.49 3.74 0.16 -3.83 3.01 0.30 0.23 119.74 122.87 1jb3 s LYS 62 Ca 0.05 -0.43 0.07 0.00 -1.01 0.00 0.00 55.97 54.66 1jb3 s LYS 62 Cb 0.05 -3.04 -0.04 0.00 -1.01 0.00 0.00 37.83 33.79 1jb3 s LYS 62 CO 0.00 0.31 -0.15 0.14 0.51 0.00 0.00 175.35 176.16 1jb3 s VAL 63 N 0.23 1.63 -0.20 3.17 -7.23 -0.15 -1.14 120.40 116.70 1jb3 s VAL 63 Ca 0.01 -1.96 -0.06 0.00 -1.81 0.00 0.00 61.98 58.15 1jb3 s VAL 63 Cb -0.13 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 1jb3 s VAL 63 CO 0.02 -0.45 0.03 -0.69 -0.31 0.00 0.00 175.10 173.69 1jb3 s VAL 64 N -2.43 4.20 -0.16 1.32 1.01 -1.26 0.00 120.40 123.08 1jb3 s VAL 64 Ca 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 1jb3 s VAL 64 Cb -0.03 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1jb3 s VAL 64 CO 0.05 0.42 -0.05 -0.63 0.00 0.00 0.00 175.10 174.89 1jb3 s ILE 65 N 0.97 3.69 0.48 2.22 1.01 0.04 -1.23 121.20 128.39 1jb3 s ILE 65 Ca 0.02 -0.43 0.07 0.00 0.00 0.00 0.00 60.65 60.32 1jb3 s ILE 65 Cb -0.14 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.72 1jb3 s ILE 65 CO 0.02 0.49 0.38 -0.83 0.00 0.00 0.00 174.94 175.00 1jb3 s GLY 66 N 0.47 2.25 0.00 6.18 0.00 0.94 -0.78 107.32 116.39 1jb3 s GLY 66 Ca -0.05 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 43.01 1jb3 s GLY 66 CO 0.03 -1.83 0.00 0.61 0.00 0.00 0.00 173.10 171.91 1jb3 n GLY 67 N -1.63 0.58 3.75 0.20 0.00 -1.14 -0.64 105.19 106.32 1jb3 n GLY 67 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1jb3 n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jb3 s PHE 68 N -2.30 2.41 0.00 1.61 0.40 -0.71 -1.83 117.98 117.57 1jb3 s PHE 68 Ca 0.00 1.42 0.00 0.00 -0.60 0.00 0.00 56.93 57.75 1jb3 s PHE 68 Cb 0.00 -3.70 0.00 0.00 0.51 0.00 0.00 43.02 39.83 1jb3 s PHE 68 CO 0.00 -2.57 0.00 0.41 0.70 0.00 0.00 175.22 173.76 1jb3 n GLY 69 N 0.66 1.90 3.41 4.36 0.00 -0.07 -0.95 105.19 114.49 1jb3 n GLY 69 Ca 0.10 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.58 1jb3 n GLY 69 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jb3 n ASP 70 N 0.00 1.80 -0.29 1.61 4.64 -0.76 -4.78 116.55 118.76 1jb3 n ASP 70 Ca 0.00 0.52 0.33 0.00 -1.38 0.00 0.00 54.79 54.26 1jb3 n ASP 70 Cb 0.00 -1.16 0.73 0.00 -1.04 0.00 0.00 41.12 39.65 1jb3 n ASP 70 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1jb3 h PRO 71 N 11.24 0.02 -0.18 -0.67 0.11 -1.90 0.01 132.00 140.63 1jb3 h PRO 71 Ca -0.24 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1jb3 h PRO 71 Cb 1.35 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1jb3 h PRO 71 CO 1.03 0.02 0.00 1.28 -0.21 0.00 0.00 178.00 180.12 1jb3 n LEU 72 N -4.22 1.11 -4.11 2.35 4.32 -1.26 -4.75 117.00 110.44 1jb3 n LEU 72 Ca 0.24 -0.53 -0.33 0.00 -0.02 0.00 0.00 56.01 55.38 1jb3 n LEU 72 Cb 1.17 -0.12 -0.16 0.00 -1.62 0.00 0.00 43.42 42.69 1jb3 n LEU 72 CO 0.39 0.26 -0.53 -0.63 -1.22 0.00 0.00 177.39 175.67 1jb3 s ILE 73 N -1.76 2.03 0.00 -0.08 1.01 -0.01 -5.02 121.20 117.37 1jb3 s ILE 73 Ca 0.20 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.93 1jb3 s ILE 73 Cb 0.10 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1jb3 s ILE 73 CO 0.14 0.53 0.60 0.00 0.00 0.00 0.00 174.94 176.22 1jb3 s ASP 75 N -2.59 6.52 -0.04 0.00 3.68 -1.26 -4.78 116.67 118.19 1jb3 s ASP 75 Ca 0.00 -1.77 0.05 0.00 2.13 0.00 0.00 52.55 52.96 1jb3 s ASP 75 Cb 0.00 -2.42 0.08 0.00 -1.45 0.00 0.00 42.92 39.14 1jb3 s ASP 75 CO 0.00 -1.18 1.00 -0.46 0.13 0.00 0.00 175.17 174.66 1jb3 n ASN 76 N 6.98 1.86 -4.46 -0.34 2.04 -1.25 -0.99 115.26 119.09 1jb3 n ASN 76 Ca 0.19 -2.23 -0.30 0.00 -0.44 0.00 0.00 54.58 51.79 1jb3 n ASN 76 Cb 0.48 -0.13 -0.12 0.00 -2.53 0.00 0.00 39.78 37.48 1jb3 n ASN 76 CO 0.00 0.00 0.00 -1.10 -0.44 0.00 0.00 177.26 175.72 1jb3 s GLN 77 N -1.41 1.96 0.05 -3.83 -1.52 -1.26 -0.89 119.66 112.75 1jb3 s GLN 77 Ca 0.09 -1.06 -0.04 0.00 -1.95 0.00 0.00 55.36 52.41 1jb3 s GLN 77 Cb 0.08 -2.15 -0.02 0.00 -0.22 0.00 0.00 33.01 30.70 1jb3 s GLN 77 CO 0.01 0.52 0.05 0.14 -0.25 0.00 0.00 175.29 175.76 1jb3 s VAL 78 N -1.00 0.17 0.25 1.09 -7.23 -1.26 -5.06 120.40 107.36 1jb3 s VAL 78 Ca 0.16 -1.37 0.06 0.00 -1.81 0.00 0.00 61.98 59.01 1jb3 s VAL 78 Cb -0.10 -1.16 -0.05 0.00 0.56 0.00 0.00 36.38 35.62 1jb3 s VAL 78 CO 0.07 -0.76 -0.06 -0.44 -0.31 0.00 0.00 175.10 173.60 1jb3 s SER 79 N -2.51 2.43 0.27 4.85 0.01 -1.26 -5.06 113.70 112.43 1jb3 s SER 79 Ca 0.01 -1.16 -0.31 0.00 1.31 0.00 0.00 55.95 55.80 1jb3 s SER 79 Cb 0.03 -0.11 -0.12 0.00 0.21 0.00 0.00 66.02 66.03 1jb3 s SER 79 CO -0.08 -0.35 1.61 0.41 0.41 0.00 0.00 173.24 175.24 1jb3 n THR 80 N -0.48 0.79 0.00 1.44 -1.04 -1.26 -1.98 114.28 111.75 1jb3 n THR 80 Ca -0.06 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 1jb3 n THR 80 Cb 0.63 -1.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 1jb3 n THR 80 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jb3 n GLY 81 N 2.55 1.84 3.76 3.41 0.00 0.28 -5.01 105.19 112.02 1jb3 n GLY 81 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1jb3 n GLY 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jb3 s ASP 82 N -1.83 5.89 -0.06 1.61 -0.00 -0.84 -4.67 116.67 116.77 1jb3 s ASP 82 Ca 0.00 2.70 0.06 0.00 -0.00 0.00 0.00 52.55 55.31 1jb3 s ASP 82 Cb 0.00 -2.64 -0.01 0.00 -0.00 0.00 0.00 42.92 40.28 1jb3 s ASP 82 CO 0.00 -1.15 -0.24 0.28 -0.00 0.00 0.00 175.17 174.07 1jb3 s THR 83 N -1.30 1.97 0.26 -1.27 -1.32 -1.26 -0.47 115.64 112.25 1jb3 s THR 83 Ca 0.63 -1.01 -0.11 0.00 -1.21 0.00 0.00 61.69 59.99 1jb3 s THR 83 Cb -0.39 -1.67 -0.00 0.00 -1.51 0.00 0.00 72.50 68.92 1jb3 s THR 83 CO 0.48 0.55 0.47 -0.13 -2.21 0.00 0.00 174.62 173.78 1jb3 s ARG 84 N -0.07 1.60 -0.24 7.08 1.81 -0.81 -4.28 118.95 124.04 1jb3 s ARG 84 Ca -0.06 -1.34 -0.08 0.00 -1.72 0.00 0.00 55.73 52.53 1jb3 s ARG 84 Cb -0.14 0.46 -0.04 0.00 -0.45 0.00 0.00 34.95 34.78 1jb3 s ARG 84 CO 0.04 -0.66 0.10 0.42 -0.68 0.00 0.00 175.30 174.51 1jb3 s ILE 85 N -3.84 4.72 -0.18 1.52 1.01 0.73 -2.10 121.20 123.06 1jb3 s ILE 85 Ca 0.24 -0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.80 1jb3 s ILE 85 Cb -0.00 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 1jb3 s ILE 85 CO 0.11 0.35 0.00 -0.36 0.00 0.00 0.00 174.94 175.04 1jb3 s PHE 86 N 1.25 3.08 -0.39 3.97 0.40 0.16 -2.15 117.98 124.30 1jb3 s PHE 86 Ca 0.05 -0.29 -0.14 0.00 -0.60 0.00 0.00 56.93 55.95 1jb3 s PHE 86 Cb -0.14 -2.04 0.01 0.00 0.51 0.00 0.00 43.02 41.36 1jb3 s PHE 86 CO 0.04 -0.09 0.28 -0.06 0.70 0.00 0.00 175.22 176.09 1jb3 s PHE 87 N 0.66 3.24 0.26 0.36 0.40 -1.26 -1.63 117.98 120.01 1jb3 s PHE 87 Ca -0.00 -0.58 0.02 0.00 -0.60 0.00 0.00 56.93 55.77 1jb3 s PHE 87 Cb -0.14 -2.55 -0.04 0.00 0.51 0.00 0.00 43.02 40.80 1jb3 s PHE 87 CO 0.02 -0.56 0.18 0.14 0.70 0.00 0.00 175.22 175.70 1jb3 s VAL 88 N 1.67 0.09 -0.04 -0.44 -7.23 0.26 -0.40 120.40 114.31 1jb3 s VAL 88 Ca 0.05 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.16 1jb3 s VAL 88 Cb -0.19 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.26 1jb3 s VAL 88 CO 0.10 0.00 0.14 0.20 -0.31 0.00 0.00 175.10 175.23 1jb3 s ASN 89 N -3.27 -0.10 0.38 4.85 0.01 -0.58 -1.59 114.94 114.64 1jb3 s ASN 89 Ca 0.39 0.15 -0.27 0.00 -0.71 0.00 0.00 52.86 52.42 1jb3 s ASN 89 Cb 0.05 0.28 -0.11 0.00 0.41 0.00 0.00 41.25 41.88 1jb3 s ASN 89 CO 0.18 -0.14 1.39 -2.65 -1.51 0.00 0.00 177.10 174.37 1jb3 n PRO 90 N 2.56 2.37 -1.89 -0.60 -0.02 -1.26 0.36 135.00 136.51 1jb3 n PRO 90 Ca -0.15 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 1jb3 n PRO 90 Cb 0.58 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 1jb3 n PRO 90 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jb3 s ALA 91 N -1.13 3.71 0.77 3.55 0.00 -0.01 -4.74 121.76 123.91 1jb3 s ALA 91 Ca 0.56 1.27 -0.13 0.00 0.00 0.00 0.00 51.96 53.65 1jb3 s ALA 91 Cb -0.51 -3.70 0.06 0.00 0.00 0.00 0.00 23.12 18.97 1jb3 s ALA 91 CO 0.62 -1.10 1.16 -2.14 0.00 0.00 0.00 175.76 174.30 1jb3 s PRO 92 N 2.51 2.02 0.58 0.00 0.02 -1.26 -4.86 135.00 134.00 1jb3 s PRO 92 Ca 0.75 1.54 0.27 0.00 0.02 0.00 0.00 61.00 63.58 1jb3 s PRO 92 Cb -0.41 -1.84 1.72 0.00 0.02 0.00 0.00 34.50 33.99 1jb3 s PRO 92 CO 0.33 -1.88 2.23 1.96 -0.33 0.00 0.00 177.00 179.31 1jb3 h GLN 93 N -0.74 0.00 0.00 5.54 4.20 -1.97 -0.53 115.11 121.61 1jb3 h GLN 93 Ca -0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1jb3 h GLN 93 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1jb3 h GLN 93 CO 0.49 0.01 0.00 2.48 -0.67 0.00 0.00 178.83 181.13 1jb3 n TYR 94 N -3.95 0.37 0.86 2.96 0.18 -1.26 -0.58 117.16 115.74 1jb3 n TYR 94 Ca -0.03 0.16 0.12 0.00 1.88 0.00 0.00 57.90 60.03 1jb3 n TYR 94 Cb 0.09 -0.75 0.26 0.00 -0.38 0.00 0.00 39.34 38.55 1jb3 n TYR 94 CO 0.00 0.00 0.00 -1.33 -2.08 0.00 0.00 176.86 173.45 1jb3 n MET 95 N -1.85 2.18 -3.30 -3.48 2.81 -0.21 -4.91 117.12 108.37 1jb3 n MET 95 Ca 0.02 -1.76 -0.29 0.00 -1.81 0.00 0.00 57.70 53.86 1jb3 n MET 95 Cb 0.14 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 31.14 1jb3 n MET 95 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1jb3 s TRP 96 N -1.77 3.47 -0.62 2.03 0.52 0.26 -0.85 118.94 121.98 1jb3 s TRP 96 Ca 0.34 0.71 0.25 0.00 0.02 0.00 0.00 56.10 57.43 1jb3 s TRP 96 Cb 0.21 -2.16 0.63 0.00 -1.15 0.00 0.00 33.47 31.00 1jb3 s TRP 96 CO 0.30 0.15 1.71 -1.00 0.02 0.00 0.00 176.95 178.14 1jb3 h PRO 97 N 1.75 0.00 -0.83 4.98 0.13 -1.91 -3.46 132.00 132.66 1jb3 h PRO 97 Ca -0.47 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.86 1jb3 h PRO 97 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 1jb3 h PRO 97 CO 0.66 0.00 0.19 0.00 -0.23 0.00 0.00 178.00 178.63 1jb3 h ALA 98 N 2.32 1.13 -0.21 -0.56 0.00 -1.95 -2.31 119.26 117.68 1jb3 h ALA 98 Ca 0.00 0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1jb3 h ALA 98 Cb 0.84 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1jb3 h ALA 98 CO 0.00 -0.42 -0.06 0.72 0.00 0.00 0.00 179.25 179.49 1jb3 n HIS 99 N -5.22 0.71 -1.73 0.00 8.25 -0.03 -5.03 115.22 112.18 1jb3 n HIS 99 Ca 0.18 -1.17 -0.42 0.00 -0.26 0.00 0.00 57.72 56.05 1jb3 n HIS 99 Cb 0.59 -0.33 -0.01 0.00 1.12 0.00 0.00 29.99 31.36 1jb3 n HIS 99 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1jb3 n ARG 100 N -0.94 2.50 -1.58 -0.41 0.63 -0.87 -1.77 116.66 114.22 1jb3 n ARG 100 Ca 0.24 0.89 -0.15 0.00 -0.92 0.00 0.00 57.85 57.90 1jb3 n ARG 100 Cb 0.87 -2.61 -0.05 0.00 0.45 0.00 0.00 32.46 31.11 1jb3 n ARG 100 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1jb3 n ASN 101 N 1.71 -4.72 -4.66 6.15 5.15 -1.26 -5.00 115.26 112.62 1jb3 n ASN 101 Ca 0.07 0.30 -0.27 0.00 -0.60 0.00 0.00 54.58 54.08 1jb3 n ASN 101 Cb 0.36 -3.58 -0.08 0.00 -0.53 0.00 0.00 39.78 35.95 1jb3 n ASN 101 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1jb3 s GLU 102 N -3.51 2.39 -0.19 1.20 2.02 -0.73 -4.57 118.70 115.31 1jb3 s GLU 102 Ca 0.00 -1.10 -0.09 0.00 0.02 0.00 0.00 54.97 53.80 1jb3 s GLU 102 Cb 0.00 -2.36 -0.05 0.00 0.10 0.00 0.00 34.13 31.83 1jb3 s GLU 102 CO 0.00 0.46 0.10 -0.51 0.02 0.00 0.00 175.26 175.33 1jb3 s LEU 103 N -2.90 4.06 -0.16 1.80 1.43 -0.36 -0.83 118.68 121.72 1jb3 s LEU 103 Ca 0.27 0.18 -0.08 0.00 -1.03 0.00 0.00 54.13 53.47 1jb3 s LEU 103 Cb -0.09 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 1jb3 s LEU 103 CO 0.18 0.18 0.10 -0.04 0.23 0.00 0.00 176.35 177.01 1jb3 s MET 104 N 0.32 3.84 0.19 1.70 -1.94 0.16 -0.04 119.30 123.53 1jb3 s MET 104 Ca 0.06 -0.24 -0.32 0.00 -1.71 0.00 0.00 55.69 53.48 1jb3 s MET 104 Cb -0.12 -3.26 -0.12 0.00 2.01 0.00 0.00 34.83 33.35 1jb3 s MET 104 CO -0.01 0.45 1.73 -0.11 -0.01 0.00 0.00 175.02 177.07 1jb3 n LEU 105 N 3.00 3.95 -0.06 -0.03 7.94 0.19 -1.53 117.00 130.46 1jb3 n LEU 105 Ca -0.17 1.05 -0.05 0.00 -1.11 0.00 0.00 56.01 55.73 1jb3 n LEU 105 Cb 0.53 -1.56 -0.11 0.00 0.53 0.00 0.00 43.42 42.81 1jb3 n LEU 105 CO 0.34 0.15 -0.90 -3.20 -1.11 0.00 0.00 177.39 172.68 1jb3 n ASN 106 N 4.16 1.69 -3.02 1.96 2.85 0.46 -4.90 115.26 118.46 1jb3 n ASN 106 Ca 0.16 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.52 1jb3 n ASN 106 Cb 0.35 0.94 0.00 0.00 1.24 0.00 0.00 39.78 42.31 1jb3 n ASN 106 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1jb3 s SER 107 N -4.52 0.36 0.29 1.20 1.04 -1.24 -5.03 113.70 105.81 1jb3 s SER 107 Ca -0.06 -1.28 -0.27 0.00 0.48 0.00 0.00 55.95 54.81 1jb3 s SER 107 Cb 0.05 0.79 -0.14 0.00 0.10 0.00 0.00 66.02 66.81 1jb3 s SER 107 CO 0.56 -1.56 0.89 -1.20 0.98 0.00 0.00 173.24 172.91 1jb3 n SER 108 N -1.44 0.70 -4.78 7.02 7.64 -1.26 -4.60 113.62 116.90 1jb3 n SER 108 Ca -0.05 1.14 -0.36 0.00 1.01 0.00 0.00 58.87 60.61 1jb3 n SER 108 Cb 0.60 -1.22 -0.02 0.00 -1.01 0.00 0.00 64.21 62.57 1jb3 n SER 108 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1jb3 s LEU 109 N 0.93 3.93 0.08 -3.43 1.43 -0.16 -4.68 118.68 116.78 1jb3 s LEU 109 Ca 0.60 2.16 0.08 0.00 -1.03 0.00 0.00 54.13 55.94 1jb3 s LEU 109 Cb -0.72 -4.38 -0.03 0.00 0.03 0.00 0.00 46.19 41.08 1jb3 s LEU 109 CO 0.59 -0.90 -0.22 -0.04 0.23 0.00 0.00 176.35 176.01 1jb3 s MET 110 N -2.92 1.32 0.62 1.70 -1.94 -0.91 -4.84 119.30 112.33 1jb3 s MET 110 Ca 0.66 -1.09 -0.13 0.00 -1.71 0.00 0.00 55.69 53.42 1jb3 s MET 110 Cb -0.24 -1.54 -0.03 0.00 2.01 0.00 0.00 34.83 35.03 1jb3 s MET 110 CO 0.29 0.38 1.04 1.03 -0.01 0.00 0.00 175.02 177.75 1jb3 s ARG 111 N -1.57 3.35 -0.61 2.03 1.81 -1.26 -0.19 118.95 122.50 1jb3 s ARG 111 Ca 0.08 1.01 -0.23 0.00 -1.72 0.00 0.00 55.73 54.86 1jb3 s ARG 111 Cb -0.09 -2.04 0.05 0.00 -0.45 0.00 0.00 34.95 32.42 1jb3 s ARG 111 CO 0.03 -0.77 0.96 0.42 -0.68 0.00 0.00 175.30 175.26 1jb3 s ILE 112 N -2.80 4.34 0.03 1.52 -1.09 -1.26 -4.65 121.20 117.29 1jb3 s ILE 112 Ca 0.60 -0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.97 1jb3 s ILE 112 Cb -0.13 -4.62 -0.02 0.00 -1.58 0.00 0.00 42.46 36.10 1jb3 s ILE 112 CO 0.45 -1.30 -0.03 0.42 -1.23 0.00 0.00 174.94 173.24 1jb3 s THR 113 N 4.05 0.16 0.37 2.92 -4.23 -1.26 -5.04 115.64 112.62 1jb3 s THR 113 Ca 0.26 -1.06 0.06 0.00 -1.18 0.00 0.00 61.69 59.77 1jb3 s THR 113 Cb -0.15 -0.47 0.28 0.00 1.34 0.00 0.00 72.50 73.50 1jb3 s THR 113 CO 0.14 -0.56 2.00 -0.07 -0.54 0.00 0.00 174.62 175.59 1jb3 h LEU 114 N 4.41 0.62 0.03 4.79 3.38 -1.98 0.23 115.31 126.79 1jb3 h LEU 114 Ca -0.33 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1jb3 h LEU 114 Cb 1.20 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1jb3 h LEU 114 CO 0.45 0.43 -0.01 -0.09 0.09 0.00 0.00 178.44 179.30 1jb3 h ARG 115 N 0.72 -0.04 -0.45 1.13 2.43 -1.97 0.27 114.38 116.46 1jb3 h ARG 115 Ca 0.25 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 1jb3 h ARG 115 Cb 0.09 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1jb3 h ARG 115 CO -0.07 0.00 0.17 -0.91 -1.51 0.00 0.00 179.97 177.66 1jb3 h ASN 116 N -0.07 0.63 0.08 -3.80 -0.26 -1.73 0.49 115.58 110.92 1jb3 h ASN 116 Ca -0.00 -0.18 0.01 0.00 -0.56 0.00 0.00 56.30 55.57 1jb3 h ASN 116 Cb 0.06 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.14 1jb3 h ASN 116 CO 0.01 0.64 -0.13 -0.07 -1.06 0.00 0.00 177.43 176.82 1jb3 h LEU 117 N 0.59 -0.34 -0.58 1.61 3.38 -0.72 0.12 115.31 119.36 1jb3 h LEU 117 Ca 0.15 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1jb3 h LEU 117 Cb 0.21 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1jb3 h LEU 117 CO -0.01 -0.19 0.36 -0.33 0.09 0.00 0.00 178.44 178.36 1jb3 h GLU 118 N -0.25 0.77 -0.31 1.13 5.08 -0.32 -0.66 114.58 120.01 1jb3 h GLU 118 Ca 0.02 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1jb3 h GLU 118 Cb 0.27 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1jb3 h GLU 118 CO -0.07 0.54 0.09 0.93 -1.00 0.00 0.00 179.01 179.51 1jb3 h GLU 119 N 0.78 0.49 -0.29 2.33 5.08 -0.60 0.57 114.58 122.94 1jb3 h GLU 119 Ca 0.21 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1jb3 h GLU 119 Cb -0.04 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1jb3 h GLU 119 CO -0.04 0.54 0.11 0.28 -1.00 0.00 0.00 179.01 178.90 1jb3 h VAL 120 N 0.35 1.18 -0.82 3.13 2.07 -0.65 -2.01 116.25 119.50 1jb3 h VAL 120 Ca 0.10 -0.57 0.06 0.00 0.82 0.00 0.00 66.70 67.11 1jb3 h VAL 120 Cb 0.26 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 1jb3 h VAL 120 CO -0.00 0.19 0.54 -0.33 0.02 0.00 0.00 177.57 177.99 1jb3 h GLU 121 N 0.32 0.90 -0.48 1.57 5.08 -0.96 -0.41 114.58 120.60 1jb3 h GLU 121 Ca 0.10 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1jb3 h GLU 121 Cb 0.20 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1jb3 h GLU 121 CO -0.01 0.60 0.07 1.25 -1.00 0.00 0.00 179.01 179.92 1jb3 h HIS 122 N 0.93 0.86 -0.63 4.33 2.76 -0.47 -0.00 115.15 122.93 1jb3 h HIS 122 Ca 0.35 -0.12 -0.08 0.00 -2.20 0.00 0.00 60.37 58.31 1jb3 h HIS 122 Cb 0.18 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 1jb3 h HIS 122 CO -0.00 0.80 0.07 0.00 -1.30 0.00 0.00 177.93 177.49 1jb3 h VAL 124 N 0.98 1.22 -0.10 0.00 2.07 -0.92 -1.40 116.25 118.08 1jb3 h VAL 124 Ca 0.19 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1jb3 h VAL 124 Cb 0.48 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1jb3 h VAL 124 CO 0.02 0.26 0.01 -0.08 0.02 0.00 0.00 177.57 177.80 1jb3 h GLU 125 N 0.59 0.18 -0.16 1.57 4.57 -0.77 0.52 114.58 121.08 1jb3 h GLU 125 Ca 0.15 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.33 1jb3 h GLU 125 Cb 0.24 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.75 1jb3 h GLU 125 CO -0.01 0.39 -0.29 0.93 -1.18 0.00 0.00 179.01 178.85 1jb3 h GLU 126 N -0.06 -0.34 -0.50 1.92 4.39 -0.61 0.47 114.58 119.85 1jb3 h GLU 126 Ca 0.03 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1jb3 h GLU 126 Cb 0.30 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1jb3 h GLU 126 CO 0.00 -0.22 0.21 1.25 -1.16 0.00 0.00 179.01 179.09 1jb3 h HIS 127 N -0.35 0.70 -0.48 4.33 2.76 -1.17 -2.01 115.15 118.93 1jb3 h HIS 127 Ca 0.11 -0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.18 1jb3 h HIS 127 Cb 0.51 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.23 1jb3 h HIS 127 CO -0.39 0.54 0.04 -0.09 -1.30 0.00 0.00 177.93 176.72 1jb3 h ARG 128 N 0.70 0.78 -5.43 5.26 2.43 0.25 -3.37 114.38 114.99 1jb3 h ARG 128 Ca 0.17 -0.19 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 1jb3 h ARG 128 Cb 0.12 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1jb3 h ARG 128 CO -0.02 0.76 0.49 0.15 -1.51 0.00 0.00 179.97 179.85 1jb3 s LYS 129 N -5.04 2.00 -0.17 0.20 1.02 0.04 -4.50 119.74 113.29 1jb3 s LYS 129 Ca -0.09 -0.35 -0.08 0.00 0.02 0.00 0.00 55.97 55.47 1jb3 s LYS 129 Cb 0.15 -5.02 -0.07 0.00 -0.52 0.00 0.00 37.83 32.36 1jb3 s LYS 129 CO 0.80 -4.26 -0.22 1.28 -0.92 0.00 0.00 175.35 172.03 1jb3 n LEU 130 N 16.49 1.25 -0.05 3.17 4.77 -1.26 -4.61 117.00 136.77 1jb3 n LEU 130 Ca 0.43 0.20 -0.16 0.00 -0.03 0.00 0.00 56.01 56.45 1jb3 n LEU 130 Cb 0.46 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.98 1jb3 n LEU 130 CO 0.60 0.37 0.39 -0.07 -1.33 0.00 0.00 177.39 177.35 1jb3 h LEU 131 N -0.59 0.77 -1.13 2.23 4.07 -1.96 -3.55 115.31 115.15 1jb3 h LEU 131 Ca -0.43 -0.59 0.00 0.00 0.08 0.00 0.00 57.88 56.94 1jb3 h LEU 131 Cb 1.38 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.90 1jb3 h LEU 131 CO -0.26 1.23 0.00 0.00 -1.08 0.00 0.00 178.44 178.33