#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jug s ILE 2 N 0.00 4.11 0.71 3.15 -1.09 -1.26 -0.38 121.20 126.43 1jug s ILE 2 Ca 0.00 -1.96 -0.15 0.00 -2.23 0.00 0.00 60.65 56.30 1jug s ILE 2 Cb 0.00 -3.71 0.03 0.00 -1.58 0.00 0.00 42.46 37.20 1jug s ILE 2 CO 0.00 -0.79 1.19 -0.76 -1.23 0.00 0.00 174.94 173.36 1jug s LEU 3 N 1.15 3.36 0.38 2.97 2.01 -0.67 -4.99 118.68 122.89 1jug s LEU 3 Ca 0.08 2.31 -0.20 0.00 0.01 0.00 0.00 54.13 56.33 1jug s LEU 3 Cb -0.24 -4.58 -0.10 0.00 0.01 0.00 0.00 46.19 41.27 1jug s LEU 3 CO -0.02 -2.11 0.88 -0.54 1.01 0.00 0.00 176.35 175.57 1jug s LYS 4 N -3.88 4.20 0.44 1.70 -0.14 -1.26 -4.87 119.74 115.92 1jug s LYS 4 Ca 0.74 1.00 0.15 0.00 -1.36 0.00 0.00 55.97 56.50 1jug s LYS 4 Cb -0.28 -2.32 1.06 0.00 -1.68 0.00 0.00 37.83 34.61 1jug s LYS 4 CO 0.44 0.06 1.97 -0.22 -0.76 0.00 0.00 175.35 176.84 1jug h LYS 5 N 2.16 0.37 0.00 1.68 3.64 -1.99 -1.30 116.57 121.12 1jug h LYS 5 Ca -0.48 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.85 1jug h LYS 5 Cb 1.18 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1jug h LYS 5 CO 0.63 0.24 -0.11 0.37 -2.27 0.00 0.00 179.45 178.31 1jug h GLN 6 N 0.38 0.00 -0.22 1.90 5.75 -1.95 -0.14 115.11 120.83 1jug h GLN 6 Ca 0.29 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.62 1jug h GLN 6 Cb 0.63 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.18 1jug h GLN 6 CO -0.08 0.11 -0.58 0.93 -2.65 0.00 0.00 178.83 176.57 1jug h GLU 7 N 0.00 0.70 -0.14 1.69 5.08 -1.64 -0.82 114.58 119.46 1jug h GLU 7 Ca -0.00 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1jug h GLU 7 Cb 1.00 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1jug h GLU 7 CO 0.01 1.08 0.08 1.25 -1.00 0.00 0.00 179.01 180.44 1jug h LEU 8 N 0.53 0.13 -0.85 1.33 5.85 -0.96 -1.48 115.31 119.87 1jug h LEU 8 Ca 0.00 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1jug h LEU 8 Cb 1.16 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 1jug h LEU 8 CO 0.12 0.10 0.54 0.00 -0.34 0.00 0.00 178.44 178.86 1jug h LYS 10 N 1.03 0.88 -0.36 0.00 1.57 -0.28 -2.51 116.57 116.90 1jug h LYS 10 Ca 0.35 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1jug h LYS 10 Cb 0.06 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1jug h LYS 10 CO -0.13 0.77 0.20 -0.91 -0.57 0.00 0.00 179.45 178.80 1jug h ASN 11 N 0.80 0.32 -0.08 0.86 2.35 -0.97 0.78 115.58 119.64 1jug h ASN 11 Ca 0.19 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.99 1jug h ASN 11 Cb 0.23 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.48 1jug h ASN 11 CO -0.01 0.23 -0.31 -0.07 -1.65 0.00 0.00 177.43 175.62 1jug h LEU 12 N 0.41 -0.95 -0.33 1.61 -0.00 -1.27 0.08 115.31 114.86 1jug h LEU 12 Ca 0.15 0.13 0.01 0.00 -0.00 0.00 0.00 57.88 58.17 1jug h LEU 12 Cb 0.02 0.40 -0.02 0.00 -0.00 0.00 0.00 40.66 41.06 1jug h LEU 12 CO -0.08 -0.36 0.21 0.58 -0.00 0.00 0.00 178.44 178.79 1jug h VAL 13 N -0.41 1.07 0.00 1.22 2.07 -1.35 0.78 116.25 119.62 1jug h VAL 13 Ca 0.08 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1jug h VAL 13 Cb 0.54 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1jug h VAL 13 CO -0.31 0.08 -0.11 0.00 0.02 0.00 0.00 177.57 177.24 1jug h ALA 14 N 1.13 1.52 -0.40 1.67 0.00 -0.48 -1.20 119.26 121.51 1jug h ALA 14 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jug h ALA 14 Cb -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1jug h ALA 14 CO -0.04 0.14 0.00 1.04 0.00 0.00 0.00 179.25 180.39 1jug n GLN 15 N -3.98 2.46 -2.47 0.00 1.13 -0.02 -4.91 117.38 109.59 1jug n GLN 15 Ca -0.02 -1.66 -0.18 0.00 -1.94 0.00 0.00 57.00 53.20 1jug n GLN 15 Cb 0.20 -1.56 0.00 0.00 0.11 0.00 0.00 30.24 28.99 1jug n GLN 15 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jug n GLY 16 N 0.89 -0.35 0.19 1.08 0.00 -0.45 -4.92 105.19 101.64 1jug n GLY 16 Ca 0.15 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1jug n GLY 16 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1jug h MET 17 N -0.30 0.00 -6.24 1.61 4.05 -1.07 -3.40 114.93 109.59 1jug h MET 17 Ca -0.42 0.00 -0.56 0.00 -0.28 0.00 0.00 59.70 58.44 1jug h MET 17 Cb 1.31 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.10 1jug h MET 17 CO 0.49 0.06 1.21 0.54 0.23 0.00 0.00 176.91 179.44 1jug s ASN 18 N -6.04 6.27 0.00 1.39 4.22 -1.26 -2.60 114.94 116.92 1jug s ASN 18 Ca 0.05 2.02 0.00 0.00 -2.14 0.00 0.00 52.86 52.79 1jug s ASN 18 Cb 0.06 -2.53 0.00 0.00 1.28 0.00 0.00 41.25 40.07 1jug s ASN 18 CO 0.71 -1.28 0.00 0.61 -2.04 0.00 0.00 177.10 175.09 1jug n GLY 19 N 4.75 0.62 3.63 0.45 0.00 -0.40 -4.99 105.19 109.25 1jug n GLY 19 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1jug n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jug s TYR 20 N -2.56 1.92 -1.57 1.61 5.04 -1.07 -2.08 117.35 118.64 1jug s TYR 20 Ca 0.00 0.42 -0.04 0.00 -2.44 0.00 0.00 57.07 55.01 1jug s TYR 20 Cb 0.00 -3.99 0.01 0.00 0.35 0.00 0.00 41.96 38.33 1jug s TYR 20 CO 0.00 -3.39 0.43 0.94 -1.34 0.00 0.00 175.55 172.19 1jug n GLN 21 N 7.71 -3.90 -2.69 4.97 0.00 -1.26 -2.32 117.38 119.88 1jug n GLN 21 Ca 0.20 0.88 -0.17 0.00 -0.00 0.00 0.00 57.00 57.91 1jug n GLN 21 Cb 0.45 -5.68 -0.00 0.00 0.00 0.00 0.00 30.24 25.01 1jug n GLN 21 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1jug n HIS 22 N -4.30 -1.50 -3.34 3.69 8.25 -0.88 -4.80 115.22 112.34 1jug n HIS 22 Ca -0.14 0.16 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 1jug n HIS 22 Cb 0.63 -3.19 -0.09 0.00 1.12 0.00 0.00 29.99 28.46 1jug n HIS 22 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1jug s ILE 23 N -2.81 5.10 0.65 1.59 1.01 -0.98 -4.89 121.20 120.87 1jug s ILE 23 Ca 0.12 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.40 1jug s ILE 23 Cb -0.06 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 1jug s ILE 23 CO 0.15 -0.34 1.08 0.42 0.00 0.00 0.00 174.94 176.25 1jug s THR 24 N 2.11 3.58 0.18 2.92 -4.23 -1.26 -1.27 115.64 117.67 1jug s THR 24 Ca 0.12 0.68 -0.13 0.00 -1.18 0.00 0.00 61.69 61.18 1jug s THR 24 Cb -0.17 -3.23 0.10 0.00 1.34 0.00 0.00 72.50 70.54 1jug s THR 24 CO 0.13 -0.51 1.73 -0.07 -0.54 0.00 0.00 174.62 175.36 1jug h LEU 25 N -0.05 0.07 -1.59 4.79 3.38 -1.96 -2.01 115.31 117.93 1jug h LEU 25 Ca -0.46 0.08 0.18 0.00 0.09 0.00 0.00 57.88 57.76 1jug h LEU 25 Cb 1.23 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 42.01 1jug h LEU 25 CO 0.55 0.07 0.54 -0.65 0.09 0.00 0.00 178.44 179.04 1jug h PRO 26 N 0.27 0.36 -0.38 1.13 0.11 -1.93 0.12 132.00 131.69 1jug h PRO 26 Ca 0.24 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.24 1jug h PRO 26 Cb 0.29 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 1jug h PRO 26 CO -0.29 0.24 -0.08 -0.91 -0.21 0.00 0.00 178.00 176.75 1jug h ASN 27 N 0.37 0.73 -0.43 -2.05 2.35 -1.69 -1.31 115.58 113.55 1jug h ASN 27 Ca 0.41 -0.36 -0.08 0.00 -0.55 0.00 0.00 56.30 55.72 1jug h ASN 27 Cb 1.03 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.19 1jug h ASN 27 CO -0.13 0.92 -0.03 -0.50 -1.65 0.00 0.00 177.43 176.04 1jug h TRP 28 N 0.53 0.86 -0.44 1.19 4.06 -0.83 -2.24 115.95 119.08 1jug h TRP 28 Ca 0.10 -0.16 -0.06 0.00 2.06 0.00 0.00 58.89 60.82 1jug h TRP 28 Cb 0.59 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.52 1jug h TRP 28 CO 0.05 0.85 0.02 0.28 -3.56 0.00 0.00 178.44 176.09 1jug h VAL 29 N 0.61 1.26 -0.48 1.49 2.07 -0.83 -1.93 116.25 118.45 1jug h VAL 29 Ca 0.12 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1jug h VAL 29 Cb 0.53 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1jug h VAL 29 CO 0.03 0.34 0.30 0.00 0.02 0.00 0.00 177.57 178.26 1jug h THR 31 N 0.65 1.20 -0.17 0.00 2.02 -1.27 -1.36 112.91 113.98 1jug h THR 31 Ca 0.17 -0.62 -0.08 0.00 0.77 0.00 0.00 66.41 66.66 1jug h THR 31 Cb -0.05 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1jug h THR 31 CO -0.04 0.17 -0.26 0.00 0.37 0.00 0.00 175.52 175.76 1jug h ALA 32 N 0.77 1.24 -0.16 6.16 0.00 -0.90 -0.13 119.26 126.24 1jug h ALA 32 Ca 0.01 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1jug h ALA 32 Cb 0.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1jug h ALA 32 CO 0.00 0.50 -0.13 0.35 0.00 0.00 0.00 179.25 179.98 1jug h PHE 33 N 0.29 0.44 0.00 0.00 3.57 -0.49 -2.27 116.94 118.48 1jug h PHE 33 Ca 0.04 -0.12 -0.08 0.00 3.53 0.00 0.00 57.97 61.34 1jug h PHE 33 Cb 0.61 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1jug h PHE 33 CO 0.01 0.73 -0.37 0.45 -2.23 0.00 0.00 178.31 176.91 1jug h HIS 34 N 0.03 0.00 -0.02 0.41 3.86 -1.09 0.14 115.15 118.48 1jug h HIS 34 Ca 0.03 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.11 1jug h HIS 34 Cb 0.64 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.12 1jug h HIS 34 CO 0.08 0.37 -0.51 0.93 0.86 0.00 0.00 177.93 179.66 1jug h GLU 35 N 0.00 0.38 0.00 2.45 4.39 -1.02 -3.42 114.58 117.35 1jug h GLU 35 Ca -0.00 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1jug h GLU 35 Cb 1.02 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1jug h GLU 35 CO 0.05 1.05 0.00 -1.13 -1.16 0.00 0.00 179.01 177.82 1jug n SER 36 N -4.28 0.08 -2.02 1.42 3.41 -0.87 -4.89 113.62 106.47 1jug n SER 36 Ca -0.10 -0.61 -0.17 0.00 -0.26 0.00 0.00 58.87 57.73 1jug n SER 36 Cb 0.62 0.06 -0.00 0.00 -0.26 0.00 0.00 64.21 64.63 1jug n SER 36 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1jug n SER 37 N -0.06 -5.03 -1.23 4.04 2.88 0.49 -1.47 113.62 113.24 1jug n SER 37 Ca 0.00 -0.05 -0.15 0.00 -1.33 0.00 0.00 58.87 57.33 1jug n SER 37 Cb 0.12 -4.09 -0.06 0.00 -0.75 0.00 0.00 64.21 59.44 1jug n SER 37 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1jug n TYR 38 N -4.06 -0.08 -3.03 0.66 4.01 -1.21 -4.85 117.16 108.60 1jug n TYR 38 Ca -0.18 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.13 1jug n TYR 38 Cb 0.64 -2.74 -0.06 0.00 -0.31 0.00 0.00 39.34 36.88 1jug n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1jug s ASN 39 N -2.78 6.45 0.17 7.72 3.84 -0.54 -1.68 114.94 128.13 1jug s ASN 39 Ca 0.00 0.10 0.20 0.00 0.21 0.00 0.00 52.86 53.37 1jug s ASN 39 Cb 0.00 -2.36 0.85 0.00 -0.55 0.00 0.00 41.25 39.19 1jug s ASN 39 CO 0.00 -0.73 1.62 0.35 -2.79 0.00 0.00 177.10 175.55 1jug n THR 40 N 5.81 0.91 -0.15 -5.21 -2.24 0.49 -1.93 114.28 111.95 1jug n THR 40 Ca 0.01 0.26 0.11 0.00 -2.27 0.00 0.00 64.05 62.15 1jug n THR 40 Cb 0.48 -1.14 0.26 0.00 -2.10 0.00 0.00 70.33 67.84 1jug n THR 40 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1jug n ARG 41 N -1.99 2.64 -2.26 -0.78 1.74 -1.26 -4.14 116.66 110.61 1jug n ARG 41 Ca 0.02 -2.44 -0.41 0.00 -0.77 0.00 0.00 57.85 54.26 1jug n ARG 41 Cb 0.20 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 1jug n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jug s ALA 42 N -1.12 3.47 0.02 7.54 0.00 -0.81 -4.79 121.76 126.07 1jug s ALA 42 Ca 0.42 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.50 1jug s ALA 42 Cb 0.22 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 1jug s ALA 42 CO 0.30 -0.46 -0.04 0.95 0.00 0.00 0.00 175.76 176.51 1jug s THR 43 N -1.02 0.21 -0.08 0.00 -4.23 -1.26 -0.19 115.64 109.06 1jug s THR 43 Ca 0.48 -0.90 -0.03 0.00 -1.18 0.00 0.00 61.69 60.06 1jug s THR 43 Cb -0.37 -0.33 0.04 0.00 1.34 0.00 0.00 72.50 73.19 1jug s THR 43 CO 0.47 -0.44 0.16 0.21 -0.54 0.00 0.00 174.62 174.48 1jug s ASN 44 N -1.40 0.38 -0.25 3.99 2.47 -0.65 -4.96 114.94 114.53 1jug s ASN 44 Ca -0.14 0.33 -0.20 0.00 0.42 0.00 0.00 52.86 53.27 1jug s ASN 44 Cb -0.09 0.25 -0.02 0.00 -1.45 0.00 0.00 41.25 39.93 1jug s ASN 44 CO -0.01 -0.20 0.63 -1.00 -3.72 0.00 0.00 177.10 172.80 1jug s HIS 45 N 1.83 3.29 0.46 0.43 3.76 -1.26 -0.53 115.29 123.27 1jug s HIS 45 Ca -0.02 0.83 0.04 0.00 -0.15 0.00 0.00 55.06 55.76 1jug s HIS 45 Cb -0.12 -2.84 0.01 0.00 1.11 0.00 0.00 32.58 30.75 1jug s HIS 45 CO -0.06 -0.32 0.64 -0.80 -0.85 0.00 0.00 174.74 173.36 1jug s ASN 46 N 1.45 5.58 0.53 1.40 0.01 0.30 -4.96 114.94 119.26 1jug s ASN 46 Ca 0.26 -0.16 0.31 0.00 -0.71 0.00 0.00 52.86 52.57 1jug s ASN 46 Cb -0.15 -0.92 1.45 0.00 0.41 0.00 0.00 41.25 42.03 1jug s ASN 46 CO 0.09 -0.85 2.03 0.71 -1.51 0.00 0.00 177.10 177.57 1jug h THR 47 N 0.44 0.31 -0.40 1.60 1.35 -1.98 -2.23 112.91 112.00 1jug h THR 47 Ca -0.42 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1jug h THR 47 Cb 1.28 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1jug h THR 47 CO 0.50 0.09 0.00 -0.90 -0.25 0.00 0.00 175.52 174.96 1jug n ASP 48 N -3.34 2.16 0.00 5.36 5.75 -1.26 -4.89 116.55 120.34 1jug n ASP 48 Ca -0.01 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 1jug n ASP 48 Cb 0.28 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1jug n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jug n GLY 49 N 1.15 1.43 3.92 6.12 0.00 -0.84 -4.72 105.19 112.25 1jug n GLY 49 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 1jug n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jug s SER 50 N -3.10 4.88 -0.00 1.61 1.04 -1.26 -4.67 113.70 112.19 1jug s SER 50 Ca 0.00 0.63 0.02 0.00 0.48 0.00 0.00 55.95 57.07 1jug s SER 50 Cb 0.00 -1.29 -0.00 0.00 0.10 0.00 0.00 66.02 64.83 1jug s SER 50 CO 0.00 -1.59 -0.05 -0.89 0.98 0.00 0.00 173.24 171.68 1jug s THR 51 N -3.31 0.40 -0.22 2.02 2.01 -1.26 0.11 115.64 115.39 1jug s THR 51 Ca 0.60 -0.25 -0.11 0.00 0.31 0.00 0.00 61.69 62.24 1jug s THR 51 Cb -0.11 -0.35 -0.05 0.00 0.01 0.00 0.00 72.50 72.01 1jug s THR 51 CO 0.46 0.09 0.20 -1.81 -0.69 0.00 0.00 174.62 172.88 1jug s ASP 52 N -0.17 6.21 -0.05 3.53 1.01 0.31 -0.80 116.67 126.71 1jug s ASP 52 Ca 0.02 0.22 0.05 0.00 0.71 0.00 0.00 52.55 53.54 1jug s ASP 52 Cb -0.02 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.76 1jug s ASP 52 CO -0.00 0.07 -0.18 -0.31 0.21 0.00 0.00 175.17 174.95 1jug s TYR 53 N 0.93 2.59 0.00 4.23 2.02 -0.05 -1.63 117.35 125.45 1jug s TYR 53 Ca 0.10 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 1jug s TYR 53 Cb -0.13 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.81 1jug s TYR 53 CO 0.04 0.05 0.00 0.41 -1.57 0.00 0.00 175.55 174.48 1jug n GLY 54 N 2.53 -1.62 0.27 0.71 0.00 0.73 -1.09 105.19 106.72 1jug n GLY 54 Ca -0.17 -1.31 0.06 0.00 0.00 0.00 0.00 46.02 44.60 1jug n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jug h ILE 55 N 0.00 1.06 -0.37 -0.61 2.10 -1.72 -1.39 117.51 116.58 1jug h ILE 55 Ca 0.00 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.75 1jug h ILE 55 Cb 0.00 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 36.60 1jug h ILE 55 CO 0.00 0.07 0.00 0.18 -1.08 0.00 0.00 178.15 177.32 1jug n LEU 56 N -4.47 3.33 -3.72 2.19 4.77 -1.26 -4.23 117.00 113.61 1jug n LEU 56 Ca -0.01 -2.25 -0.33 0.00 -0.03 0.00 0.00 56.01 53.40 1jug n LEU 56 Cb 0.11 -0.34 0.04 0.00 -2.33 0.00 0.00 43.42 40.90 1jug n LEU 56 CO 0.35 0.74 -0.08 0.00 -1.33 0.00 0.00 177.39 177.07 1jug n GLN 57 N 0.41 -1.11 -2.89 3.23 1.13 -0.53 -4.91 117.38 112.71 1jug n GLN 57 Ca 0.15 0.43 -0.41 0.00 -1.94 0.00 0.00 57.00 55.24 1jug n GLN 57 Cb 0.57 -3.94 -0.04 0.00 0.11 0.00 0.00 30.24 26.94 1jug n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jug s ILE 58 N -3.45 4.89 0.06 5.09 1.01 -0.25 -4.40 121.20 124.15 1jug s ILE 58 Ca 0.47 1.74 -0.24 0.00 0.00 0.00 0.00 60.65 62.62 1jug s ILE 58 Cb -0.18 -4.17 -0.06 0.00 0.01 0.00 0.00 42.46 38.06 1jug s ILE 58 CO 0.87 0.25 0.72 0.21 0.00 0.00 0.00 174.94 176.99 1jug s ASN 59 N 0.65 7.19 0.00 3.58 3.84 -1.26 -0.87 114.94 128.07 1jug s ASN 59 Ca 0.43 1.42 0.19 0.00 0.21 0.00 0.00 52.86 55.11 1jug s ASN 59 Cb -0.20 -2.44 1.04 0.00 -0.55 0.00 0.00 41.25 39.09 1jug s ASN 59 CO 0.23 0.10 1.68 -1.54 -2.79 0.00 0.00 177.10 174.78 1jug n SER 60 N 2.43 0.25 -0.03 -4.21 3.41 0.02 -1.54 113.62 113.96 1jug n SER 60 Ca -0.05 -1.47 -0.17 0.00 -0.26 0.00 0.00 58.87 56.92 1jug n SER 60 Cb 0.50 -0.02 -0.14 0.00 -0.26 0.00 0.00 64.21 64.30 1jug n SER 60 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1jug n ARG 61 N -0.62 0.71 -0.06 4.33 0.63 -1.26 -4.56 116.66 115.84 1jug n ARG 61 Ca 0.14 0.24 -0.05 0.00 -0.92 0.00 0.00 57.85 57.26 1jug n ARG 61 Cb 0.10 -1.69 -0.09 0.00 0.45 0.00 0.00 32.46 31.23 1jug n ARG 61 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1jug n TYR 62 N -3.30 0.00 -0.05 -0.14 4.01 -1.22 -0.54 117.16 115.92 1jug n TYR 62 Ca -0.30 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.38 1jug n TYR 62 Cb 1.05 -0.56 -0.05 0.00 -0.31 0.00 0.00 39.34 39.47 1jug n TYR 62 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1jug n TRP 63 N -2.42 0.00 -4.40 -0.72 7.02 -0.59 -1.75 117.44 114.58 1jug n TRP 63 Ca -0.18 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.09 1jug n TRP 63 Cb 0.86 -0.37 -0.10 0.00 -2.42 0.00 0.00 31.31 29.29 1jug n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jug s HIS 65 N -3.06 3.08 -0.69 0.00 2.46 -0.14 -4.38 115.29 112.55 1jug s HIS 65 Ca 0.28 -0.31 0.07 0.00 0.47 0.00 0.00 55.06 55.57 1jug s HIS 65 Cb 0.03 -2.07 0.01 0.00 -0.13 0.00 0.00 32.58 30.42 1jug s HIS 65 CO 0.10 -0.13 0.57 -0.40 -2.47 0.00 0.00 174.74 172.41 1jug n ASP 66 N 4.03 1.15 0.00 9.88 5.68 -1.26 -0.65 116.55 135.38 1jug n ASP 66 Ca -0.17 -1.08 0.00 0.00 -0.50 0.00 0.00 54.79 53.05 1jug n ASP 66 Cb 0.52 0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.85 1jug n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jug n GLY 67 N 0.66 0.84 0.23 6.12 0.00 -1.26 -4.83 105.19 106.95 1jug n GLY 67 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1jug n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jug n LYS 68 N -2.29 0.00 -4.19 1.61 2.85 -1.26 -5.08 118.16 109.80 1jug n LYS 68 Ca 0.00 -0.65 -0.34 0.00 -1.05 0.00 0.00 58.31 56.27 1jug n LYS 68 Cb 0.00 -0.45 -0.11 0.00 -0.65 0.00 0.00 35.03 33.83 1jug n LYS 68 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1jug s THR 69 N 0.00 4.40 0.20 0.58 2.01 -1.26 -4.95 115.64 116.61 1jug s THR 69 Ca 0.00 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 1jug s THR 69 Cb 0.00 -2.95 -0.09 0.00 0.01 0.00 0.00 72.50 69.47 1jug s THR 69 CO 0.00 0.48 1.29 -2.16 -0.69 0.00 0.00 174.62 173.54 1jug s PRO 70 N 0.30 4.41 -0.82 4.92 0.04 -1.26 -3.31 135.00 139.28 1jug s PRO 70 Ca 0.00 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1jug s PRO 70 Cb -0.13 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1jug s PRO 70 CO 0.01 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.24 1jug n GLY 71 N 2.29 0.08 3.75 0.56 0.00 -1.26 -4.90 105.19 105.71 1jug n GLY 71 Ca 0.06 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1jug n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jug s SER 72 N -2.61 6.38 -0.03 1.61 0.15 -1.21 -4.80 113.70 113.19 1jug s SER 72 Ca 0.00 2.94 0.16 0.00 0.70 0.00 0.00 55.95 59.75 1jug s SER 72 Cb 0.00 -2.63 -0.24 0.00 -1.71 0.00 0.00 66.02 61.44 1jug s SER 72 CO 0.00 -0.92 0.32 0.29 1.20 0.00 0.00 173.24 174.14 1jug n LYS 73 N 2.29 0.59 -4.01 5.44 5.02 0.30 -5.00 118.16 122.79 1jug n LYS 73 Ca 0.09 -0.13 -0.30 0.00 -2.02 0.00 0.00 58.31 55.94 1jug n LYS 73 Cb 0.37 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 1jug n LYS 73 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1jug n ASN 74 N -2.11 -1.16 0.22 4.39 5.15 -1.23 -4.86 115.26 115.66 1jug n ASN 74 Ca -0.05 -1.11 0.09 0.00 -0.60 0.00 0.00 54.58 52.92 1jug n ASN 74 Cb 0.47 -2.60 0.45 0.00 -0.53 0.00 0.00 39.78 37.57 1jug n ASN 74 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jug h ALA 75 N 0.92 1.03 -0.00 5.20 0.00 -1.11 -1.89 119.26 123.41 1jug h ALA 75 Ca -0.65 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1jug h ALA 75 Cb 1.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1jug h ALA 75 CO 0.61 0.30 -0.23 0.00 0.00 0.00 0.00 179.25 179.93 1jug n ASN 77 N -1.36 -3.63 -3.75 0.00 5.15 -0.71 -5.01 115.26 105.95 1jug n ASN 77 Ca 0.08 -0.62 -0.13 0.00 -0.60 0.00 0.00 54.58 53.31 1jug n ASN 77 Cb 0.33 -4.89 -0.09 0.00 -0.53 0.00 0.00 39.78 34.59 1jug n ASN 77 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1jug s ILE 78 N -3.35 0.04 0.25 -1.44 2.07 -1.26 -5.06 121.20 112.44 1jug s ILE 78 Ca 0.16 -0.29 -0.30 0.00 -1.41 0.00 0.00 60.65 58.81 1jug s ILE 78 Cb -0.02 -0.60 -0.09 0.00 0.13 0.00 0.00 42.46 41.88 1jug s ILE 78 CO 0.69 -0.16 1.23 -0.55 -1.91 0.00 0.00 174.94 174.25 1jug s SER 79 N -0.80 7.00 0.56 4.50 0.15 -1.26 -0.97 113.70 122.87 1jug s SER 79 Ca -0.09 2.41 0.24 0.00 0.70 0.00 0.00 55.95 59.20 1jug s SER 79 Cb -0.04 -2.62 1.52 0.00 -1.71 0.00 0.00 66.02 63.17 1jug s SER 79 CO 0.03 -0.40 2.15 0.00 1.20 0.00 0.00 173.24 176.22 1jug h SER 81 N 0.00 0.00 1.18 0.00 4.64 -1.91 0.17 113.55 117.63 1jug h SER 81 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1jug h SER 81 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1jug h SER 81 CO -0.00 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 1jug n LYS 82 N -3.73 0.21 -0.30 4.77 4.76 -0.44 -2.23 118.16 121.19 1jug n LYS 82 Ca -0.03 0.25 0.09 0.00 -2.87 0.00 0.00 58.31 55.75 1jug n LYS 82 Cb 0.09 -1.78 0.25 0.00 -1.84 0.00 0.00 35.03 31.75 1jug n LYS 82 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1jug n LEU 83 N -2.15 3.05 -0.07 -0.35 4.77 0.58 -4.20 117.00 118.62 1jug n LEU 83 Ca 0.05 -1.53 0.01 0.00 -0.03 0.00 0.00 56.01 54.51 1jug n LEU 83 Cb 0.35 -0.39 0.02 0.00 -2.33 0.00 0.00 43.42 41.08 1jug n LEU 83 CO 0.26 0.73 0.47 0.18 -1.33 0.00 0.00 177.39 177.70 1jug n LEU 84 N 1.08 1.91 0.00 2.23 4.77 -0.95 -3.29 117.00 122.75 1jug n LEU 84 Ca 0.19 -1.80 -0.09 0.00 -0.03 0.00 0.00 56.01 54.28 1jug n LEU 84 Cb 0.50 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.61 1jug n LEU 84 CO 0.13 0.48 0.21 -0.90 -1.33 0.00 0.00 177.39 175.97 1jug n ASP 85 N -0.28 0.57 -0.35 -1.43 5.68 -1.25 -4.45 116.55 115.04 1jug n ASP 85 Ca 0.01 -1.47 0.13 0.00 -0.50 0.00 0.00 54.79 52.97 1jug n ASP 85 Cb 0.22 -0.24 0.42 0.00 -1.14 0.00 0.00 41.12 40.38 1jug n ASP 85 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1jug n ASP 86 N -2.93 1.25 -4.48 -1.12 8.00 -1.26 -4.74 116.55 111.27 1jug n ASP 86 Ca 0.06 -1.14 -0.37 0.00 0.71 0.00 0.00 54.79 54.06 1jug n ASP 86 Cb 0.23 0.09 -0.12 0.00 -0.02 0.00 0.00 41.12 41.30 1jug n ASP 86 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jug s ASP 87 N -2.31 5.31 -0.06 -2.24 2.15 -1.26 -4.96 116.67 113.29 1jug s ASP 87 Ca 0.29 -0.15 0.14 0.00 0.43 0.00 0.00 52.55 53.26 1jug s ASP 87 Cb 0.20 -1.96 0.52 0.00 -0.30 0.00 0.00 42.92 41.38 1jug s ASP 87 CO 0.45 -0.02 1.40 2.30 -0.17 0.00 0.00 175.17 179.13 1jug n ILE 88 N 4.83 1.20 0.25 4.11 -5.35 -1.26 -4.47 119.36 118.66 1jug n ILE 88 Ca -0.16 -0.83 -0.16 0.00 -0.27 0.00 0.00 62.75 61.34 1jug n ILE 88 Cb 0.52 0.10 -0.08 0.00 -1.74 0.00 0.00 39.64 38.44 1jug n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1jug h THR 89 N 3.05 0.41 -0.21 7.28 2.02 -1.96 0.14 112.91 123.65 1jug h THR 89 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 1jug h THR 89 Cb 1.04 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1jug h THR 89 CO 0.13 0.00 -0.31 -2.24 0.37 0.00 0.00 175.52 173.47 1jug h ASP 90 N -0.68 0.43 -0.66 4.18 3.04 -1.92 -1.71 116.42 119.10 1jug h ASP 90 Ca -0.04 -0.16 0.03 0.00 -3.24 0.00 0.00 57.03 53.62 1jug h ASP 90 Cb 0.57 -0.12 -0.04 0.00 -1.04 0.00 0.00 39.33 38.70 1jug h ASP 90 CO 0.02 0.72 0.41 0.44 -2.04 0.00 0.00 179.24 178.80 1jug h ASP 91 N 0.36 0.67 -0.09 4.15 5.19 -1.77 -0.30 116.42 124.64 1jug h ASP 91 Ca 0.05 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.32 1jug h ASP 91 Cb 0.73 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 1jug h ASP 91 CO 0.06 0.47 -0.40 -0.07 -3.12 0.00 0.00 179.24 176.17 1jug h LEU 92 N 0.81 0.65 -0.75 1.55 3.38 -0.42 -1.11 115.31 119.42 1jug h LEU 92 Ca 0.26 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1jug h LEU 92 Cb 0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1jug h LEU 92 CO -0.10 0.98 -0.10 0.11 0.09 0.00 0.00 178.44 179.41 1jug h LYS 93 N 0.50 0.85 -0.24 1.13 1.57 -1.04 -1.48 116.57 117.87 1jug h LYS 93 Ca 0.04 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 1jug h LYS 93 Cb 0.92 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1jug h LYS 93 CO 0.08 0.91 -0.03 0.00 -0.57 0.00 0.00 179.45 179.84 1jug h ALA 95 N 0.78 1.96 -0.46 0.00 0.00 -1.05 0.35 119.26 120.84 1jug h ALA 95 Ca 0.06 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1jug h ALA 95 Cb 0.47 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1jug h ALA 95 CO 0.02 -0.15 0.14 0.87 0.00 0.00 0.00 179.25 180.13 1jug h LYS 96 N 0.54 0.67 -0.42 0.00 1.57 -1.19 -1.36 116.57 116.38 1jug h LYS 96 Ca 0.37 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.95 1jug h LYS 96 Cb 0.68 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1jug h LYS 96 CO -0.13 0.59 -0.08 -0.22 -0.57 0.00 0.00 179.45 179.04 1jug h LYS 97 N 0.66 0.80 0.02 3.15 3.11 -0.98 0.03 116.57 123.36 1jug h LYS 97 Ca 0.16 -0.29 -0.00 0.00 -2.81 0.00 0.00 60.65 57.70 1jug h LYS 97 Cb 0.20 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 1jug h LYS 97 CO -0.01 0.91 -0.01 0.82 -2.81 0.00 0.00 179.45 178.35 1jug h ILE 98 N 0.62 1.12 -0.55 2.00 2.04 -1.03 -1.28 117.51 120.44 1jug h ILE 98 Ca 0.11 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.44 1jug h ILE 98 Cb 0.60 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1jug h ILE 98 CO 0.04 0.11 -0.05 0.00 0.00 0.00 0.00 178.15 178.24 1jug h ALA 99 N 0.77 0.87 -0.32 1.87 0.00 -1.31 -2.08 119.26 119.05 1jug h ALA 99 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1jug h ALA 99 Cb 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1jug h ALA 99 CO 0.00 0.65 0.13 0.78 0.00 0.00 0.00 179.25 180.82 1jug h GLY 100 N 0.98 0.52 1.48 0.00 0.00 -0.86 -0.78 103.07 104.40 1jug h GLY 100 Ca 0.15 -0.28 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 1jug h GLY 100 CO 0.04 0.26 -0.19 0.83 0.00 0.00 0.00 176.54 177.48 1jug h GLU 101 N 0.38 0.61 0.00 4.80 5.08 -1.11 -2.99 114.58 121.35 1jug h GLU 101 Ca 0.11 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1jug h GLU 101 Cb 0.18 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1jug h GLU 101 CO -0.01 0.77 -0.06 0.00 -1.00 0.00 0.00 179.01 178.71 1jug n ALA 102 N -2.49 2.44 -3.58 3.43 0.00 -0.79 -4.94 120.51 114.59 1jug n ALA 102 Ca 0.00 -0.11 -0.21 0.00 0.00 0.00 0.00 53.44 53.12 1jug n ALA 102 Cb 0.39 -1.43 0.05 0.00 0.00 0.00 0.00 19.45 18.45 1jug n ALA 102 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jug n LYS 103 N -1.65 -4.01 -1.64 0.00 5.02 -0.37 -4.84 118.16 110.66 1jug n LYS 103 Ca 0.07 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 1jug n LYS 103 Cb 0.36 -5.21 0.00 0.00 -0.02 0.00 0.00 35.03 30.16 1jug n LYS 103 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jug n GLY 104 N -1.47 -0.17 1.85 0.72 0.00 -0.76 -4.94 105.19 100.42 1jug n GLY 104 Ca -0.22 -1.65 0.07 0.00 0.00 0.00 0.00 46.02 44.22 1jug n GLY 104 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jug n LEU 105 N 0.00 5.60 0.27 0.99 4.77 -1.26 -4.47 117.00 122.91 1jug n LEU 105 Ca 0.00 -2.86 0.14 0.00 -0.03 0.00 0.00 56.01 53.26 1jug n LEU 105 Cb 0.00 -0.67 0.79 0.00 -2.33 0.00 0.00 43.42 41.21 1jug n LEU 105 CO 0.00 0.66 1.02 0.71 -1.33 0.00 0.00 177.39 178.45 1jug h THR 106 N 4.02 0.51 0.00 -5.08 1.35 -1.92 -2.35 112.91 109.43 1jug h THR 106 Ca 0.00 -0.40 -0.01 0.00 -0.55 0.00 0.00 66.41 65.45 1jug h THR 106 Cb 1.91 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 69.59 1jug h THR 106 CO 0.45 0.08 -0.07 -0.65 -0.25 0.00 0.00 175.52 175.09 1jug h PRO 107 N 0.00 0.00 -5.61 4.72 0.11 -1.92 -3.38 132.00 125.92 1jug h PRO 107 Ca -0.00 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.48 1jug h PRO 107 Cb 0.26 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 31.23 1jug h PRO 107 CO 0.01 0.07 0.38 -1.58 -0.21 0.00 0.00 178.00 176.67 1jug s TRP 108 N -4.85 2.91 0.42 0.65 0.51 -0.89 -4.94 118.94 112.75 1jug s TRP 108 Ca -0.05 -0.11 0.08 0.00 -2.12 0.00 0.00 56.10 53.91 1jug s TRP 108 Cb 0.16 -3.83 0.90 0.00 -0.81 0.00 0.00 33.47 29.89 1jug s TRP 108 CO 0.67 -1.18 2.06 -0.24 -0.51 0.00 0.00 176.95 177.75 1jug h VAL 109 N 5.97 1.09 -0.40 4.03 3.04 -1.86 -2.13 116.25 125.99 1jug h VAL 109 Ca -0.26 -0.17 -0.07 0.00 -1.01 0.00 0.00 66.70 65.19 1jug h VAL 109 Cb 1.08 0.54 -0.02 0.00 -2.01 0.00 0.00 31.29 30.88 1jug h VAL 109 CO 1.03 0.09 -0.04 0.00 -1.01 0.00 0.00 177.57 177.64 1jug h ALA 110 N 1.76 1.19 0.07 3.17 0.00 -1.92 -1.91 119.26 121.63 1jug h ALA 110 Ca 0.15 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jug h ALA 110 Cb -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1jug h ALA 110 CO -0.03 0.53 -0.04 2.35 0.00 0.00 0.00 179.25 182.06 1jug h TRP 111 N 0.62 -0.09 0.16 0.00 7.01 -1.69 0.16 115.95 122.12 1jug h TRP 111 Ca 0.12 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.13 1jug h TRP 111 Cb 0.44 0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.50 1jug h TRP 111 CO 0.02 0.08 -0.32 0.87 -2.79 0.00 0.00 178.44 176.30 1jug h LYS 112 N -0.25 -0.55 -0.07 2.65 1.57 -1.52 0.47 116.57 118.88 1jug h LYS 112 Ca -0.01 0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.65 1jug h LYS 112 Cb 0.22 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1jug h LYS 112 CO 0.02 -0.36 -0.64 0.77 -0.57 0.00 0.00 179.45 178.66 1jug h SER 113 N -0.57 0.32 -0.00 0.86 0.02 -1.28 -3.24 113.55 109.66 1jug h SER 113 Ca 0.02 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1jug h SER 113 Cb 0.58 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1jug h SER 113 CO -0.16 0.88 -0.14 0.29 -1.14 0.00 0.00 176.83 176.56 1jug n LYS 114 N -3.85 4.19 0.00 3.45 5.02 0.57 -4.81 118.16 122.72 1jug n LYS 114 Ca -0.03 -0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 1jug n LYS 114 Cb 0.65 -0.78 0.00 0.00 -0.02 0.00 0.00 35.03 34.87 1jug n LYS 114 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jug s ARG 116 N -1.99 4.14 0.00 0.00 3.52 0.15 -2.08 118.95 122.69 1jug s ARG 116 Ca 0.00 2.57 0.00 0.00 -0.13 0.00 0.00 55.73 58.17 1jug s ARG 116 Cb 0.00 -3.35 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 1jug s ARG 116 CO 0.00 -0.78 0.00 0.41 -0.81 0.00 0.00 175.30 174.12 1jug n GLY 117 N 4.08 0.44 3.93 8.12 0.00 -1.26 -4.91 105.19 115.59 1jug n GLY 117 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 1jug n GLY 117 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jug s HIS 118 N -2.11 2.74 0.27 1.61 3.76 -0.88 -5.08 115.29 115.59 1jug s HIS 118 Ca 0.00 -0.46 -0.29 0.00 -0.15 0.00 0.00 55.06 54.16 1jug s HIS 118 Cb 0.00 -2.26 -0.10 0.00 1.11 0.00 0.00 32.58 31.34 1jug s HIS 118 CO 0.00 -0.25 1.29 0.34 -0.85 0.00 0.00 174.74 175.27 1jug s ASP 119 N -4.22 6.87 -0.13 1.40 2.15 -1.26 -4.94 116.67 116.53 1jug s ASP 119 Ca 0.51 2.53 0.17 0.00 0.43 0.00 0.00 52.55 56.19 1jug s ASP 119 Cb -0.06 -2.63 0.32 0.00 -0.30 0.00 0.00 42.92 40.25 1jug s ASP 119 CO 0.30 -0.50 1.20 0.18 -0.17 0.00 0.00 175.17 176.18 1jug n LEU 120 N 1.66 2.66 0.26 -1.34 4.77 -1.26 -4.70 117.00 119.06 1jug n LEU 120 Ca 0.03 -2.98 0.14 0.00 -0.03 0.00 0.00 56.01 53.16 1jug n LEU 120 Cb 0.42 -0.42 0.72 0.00 -2.33 0.00 0.00 43.42 41.81 1jug n LEU 120 CO 0.58 0.69 0.96 0.77 -1.33 0.00 0.00 177.39 179.07 1jug h SER 121 N 0.42 0.00 0.93 -1.43 4.64 -1.98 -0.71 113.55 115.41 1jug h SER 121 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jug h SER 121 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1jug h SER 121 CO 0.05 0.11 0.00 0.11 -0.87 0.00 0.00 176.83 176.23 1jug h LYS 122 N 0.00 0.00 -0.34 4.77 1.57 -2.00 -3.20 116.57 117.36 1jug h LYS 122 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jug h LYS 122 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1jug h LYS 122 CO 0.01 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.08 1jug n PHE 123 N -2.42 0.76 -2.28 -1.35 3.72 -0.28 -5.04 117.46 110.58 1jug n PHE 123 Ca 0.02 -0.66 -0.36 0.00 -0.05 0.00 0.00 57.45 56.40 1jug n PHE 123 Cb 0.28 -0.17 -0.00 0.00 -0.94 0.00 0.00 39.48 38.65 1jug n PHE 123 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1jug s LYS 124 N -1.83 3.53 0.00 -1.08 2.20 -1.21 -4.16 119.74 117.19 1jug s LYS 124 Ca 0.34 1.65 0.26 0.00 -0.36 0.00 0.00 55.97 57.86 1jug s LYS 124 Cb 0.23 -2.16 0.70 0.00 -1.51 0.00 0.00 37.83 35.09 1jug s LYS 124 CO 0.14 -0.71 1.54 0.00 -0.36 0.00 0.00 175.35 175.96