#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jf8 s LYS 3 N 0.00 4.54 0.62 -0.67 1.02 -1.26 -4.96 119.74 119.02 1jf8 s LYS 3 Ca 0.00 1.18 -0.03 0.00 0.02 0.00 0.00 55.97 57.14 1jf8 s LYS 3 Cb 0.00 -3.41 0.04 0.00 -0.52 0.00 0.00 37.83 33.94 1jf8 s LYS 3 CO 0.00 0.14 0.90 0.15 -0.92 0.00 0.00 175.35 175.62 1jf8 s LYS 4 N 0.40 2.43 -0.10 1.68 1.02 -0.20 -4.84 119.74 120.14 1jf8 s LYS 4 Ca 0.43 -0.45 0.02 0.00 0.02 0.00 0.00 55.97 55.99 1jf8 s LYS 4 Cb -0.21 -2.32 0.01 0.00 -0.52 0.00 0.00 37.83 34.80 1jf8 s LYS 4 CO 0.24 -0.94 -0.16 0.99 -0.92 0.00 0.00 175.35 174.56 1jf8 s THR 5 N -3.00 1.55 -0.07 2.17 2.01 -1.26 -0.19 115.64 116.85 1jf8 s THR 5 Ca 0.58 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.93 1jf8 s THR 5 Cb -0.11 -1.40 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 1jf8 s THR 5 CO 0.42 0.45 -0.17 -0.51 -0.69 0.00 0.00 174.62 174.12 1jf8 s ILE 6 N 0.85 2.74 -0.19 1.82 2.07 -0.63 -0.95 121.20 126.91 1jf8 s ILE 6 Ca -0.09 -0.82 -0.00 0.00 -1.41 0.00 0.00 60.65 58.32 1jf8 s ILE 6 Cb -0.15 -2.07 0.05 0.00 0.13 0.00 0.00 42.46 40.42 1jf8 s ILE 6 CO 0.00 0.57 -0.04 -0.47 -1.91 0.00 0.00 174.94 173.09 1jf8 s TYR 7 N -0.31 1.89 -0.22 3.50 6.04 -0.48 -1.83 117.35 125.93 1jf8 s TYR 7 Ca 0.02 -1.31 -0.18 0.00 0.04 0.00 0.00 57.07 55.64 1jf8 s TYR 7 Cb -0.13 -1.39 -0.03 0.00 -1.04 0.00 0.00 41.96 39.37 1jf8 s TYR 7 CO 0.03 -0.68 0.48 -0.06 -1.54 0.00 0.00 175.55 173.78 1jf8 s PHE 8 N 1.57 3.34 -0.07 4.97 0.40 -0.32 -0.62 117.98 127.25 1jf8 s PHE 8 Ca -0.02 0.69 0.05 0.00 -0.60 0.00 0.00 56.93 57.05 1jf8 s PHE 8 Cb -0.17 -2.64 -0.01 0.00 0.51 0.00 0.00 43.02 40.71 1jf8 s PHE 8 CO -0.07 -0.13 -0.24 0.42 0.70 0.00 0.00 175.22 175.90 1jf8 s ILE 9 N 1.75 2.12 0.38 0.64 -1.09 0.43 -1.25 121.20 124.17 1jf8 s ILE 9 Ca 0.22 -1.03 0.05 0.00 -2.23 0.00 0.00 60.65 57.65 1jf8 s ILE 9 Cb -0.15 -1.78 -0.03 0.00 -1.58 0.00 0.00 42.46 38.92 1jf8 s ILE 9 CO 0.09 0.57 0.18 -0.94 -1.23 0.00 0.00 174.94 173.61 1jf8 s SER 10 N -0.03 2.39 0.18 3.58 1.04 -0.99 -1.05 113.70 118.82 1jf8 s SER 10 Ca -0.07 -1.71 -0.11 0.00 0.48 0.00 0.00 55.95 54.54 1jf8 s SER 10 Cb -0.15 0.54 0.10 0.00 0.10 0.00 0.00 66.02 66.60 1jf8 s SER 10 CO 0.05 -0.98 1.75 0.74 0.98 0.00 0.00 173.24 175.78 1jf8 h THR 11 N 1.91 1.23 0.00 2.02 2.02 -1.92 -3.00 112.91 115.17 1jf8 h THR 11 Ca -0.32 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.17 1jf8 h THR 11 Cb 1.26 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1jf8 h THR 11 CO 0.50 0.28 -0.03 0.61 0.37 0.00 0.00 175.52 177.24 1jf8 n GLY 12 N -0.88 1.11 3.85 2.16 0.00 -1.26 -0.72 105.19 109.46 1jf8 n GLY 12 Ca 0.04 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 1jf8 n GLY 12 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jf8 n ASN 13 N -0.40 -1.39 -0.13 1.61 4.05 -1.26 -0.69 115.26 117.04 1jf8 n ASN 13 Ca 0.02 -0.90 -0.28 0.00 0.45 0.00 0.00 54.58 53.87 1jf8 n ASN 13 Cb 0.40 -3.58 -0.10 0.00 1.23 0.00 0.00 39.78 37.72 1jf8 n ASN 13 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1jf8 n SER 14 N -2.98 1.95 0.02 1.20 2.88 -1.26 -4.50 113.62 110.94 1jf8 n SER 14 Ca -0.24 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1jf8 n SER 14 Cb 0.65 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 1jf8 n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jf8 n ALA 15 N -4.08 3.00 -0.23 -1.46 0.00 -1.26 -1.24 120.51 115.24 1jf8 n ALA 15 Ca -0.52 0.00 0.02 0.00 0.00 0.00 0.00 53.44 52.94 1jf8 n ALA 15 Cb 0.88 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.47 1jf8 n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jf8 h ARG 16 N 0.00 0.49 0.00 0.00 3.08 -1.96 -0.02 114.38 115.97 1jf8 h ARG 16 Ca 0.00 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.92 1jf8 h ARG 16 Cb 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1jf8 h ARG 16 CO 0.00 0.32 -0.49 0.66 -1.07 0.00 0.00 179.97 179.40 1jf8 h SER 17 N 0.50 0.00 -0.13 7.04 4.64 -1.91 -1.15 113.55 122.53 1jf8 h SER 17 Ca 0.35 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.45 1jf8 h SER 17 Cb 0.42 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1jf8 h SER 17 CO -0.31 0.49 -0.75 1.56 -0.87 0.00 0.00 176.83 176.95 1jf8 h GLN 18 N 0.00 0.74 -0.28 4.77 1.08 -1.68 -1.90 115.11 117.84 1jf8 h GLN 18 Ca -0.00 -0.62 -0.13 0.00 -1.45 0.00 0.00 58.65 56.45 1jf8 h GLN 18 Cb 0.99 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.54 1jf8 h GLN 18 CO 0.06 1.23 -0.35 0.52 -0.95 0.00 0.00 178.83 179.35 1jf8 h MET 19 N 0.45 0.62 -0.65 1.46 2.86 -0.92 -1.80 114.93 116.96 1jf8 h MET 19 Ca -0.06 -0.29 -0.07 0.00 -2.06 0.00 0.00 59.70 57.22 1jf8 h MET 19 Cb 1.39 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.02 1jf8 h MET 19 CO 0.15 0.88 0.12 0.00 1.06 0.00 0.00 176.91 179.12 1jf8 h ALA 20 N 1.10 0.87 -0.55 6.32 0.00 -1.18 -0.52 119.26 125.29 1jf8 h ALA 20 Ca 0.06 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1jf8 h ALA 20 Cb 0.84 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1jf8 h ALA 20 CO 0.07 0.62 -0.03 1.49 0.00 0.00 0.00 179.25 181.40 1jf8 h GLU 21 N 0.99 0.99 -0.09 0.00 4.81 -1.16 0.11 114.58 120.23 1jf8 h GLU 21 Ca 0.20 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1jf8 h GLU 21 Cb 0.43 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1jf8 h GLU 21 CO 0.01 1.01 0.04 0.78 -0.73 0.00 0.00 179.01 180.12 1jf8 h GLY 22 N 0.87 0.14 1.07 1.92 0.00 -1.02 -1.14 103.07 104.91 1jf8 h GLY 22 Ca 0.15 -0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.31 1jf8 h GLY 22 CO 0.03 0.07 -0.03 1.49 0.00 0.00 0.00 176.54 178.11 1jf8 h TRP 23 N 0.00 1.13 -0.82 5.60 4.06 -1.05 -3.13 115.95 121.74 1jf8 h TRP 23 Ca 0.03 -0.21 0.01 0.00 2.06 0.00 0.00 58.89 60.78 1jf8 h TRP 23 Cb 0.14 -0.29 -0.04 0.00 -1.00 0.00 0.00 29.16 27.97 1jf8 h TRP 23 CO -0.02 1.02 0.55 0.78 -3.56 0.00 0.00 178.44 177.20 1jf8 h GLY 24 N 0.92 1.16 1.56 1.49 0.00 -0.60 -0.38 103.07 107.23 1jf8 h GLY 24 Ca 0.16 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 1jf8 h GLY 24 CO 0.03 0.42 -0.09 0.50 0.00 0.00 0.00 176.54 177.41 1jf8 h LYS 25 N 1.11 0.53 0.22 4.80 1.57 -1.20 0.27 116.57 123.88 1jf8 h LYS 25 Ca 0.30 -0.14 -0.35 0.00 -1.87 0.00 0.00 60.65 58.59 1jf8 h LYS 25 Cb -0.13 -0.06 0.02 0.00 0.08 0.00 0.00 32.23 32.15 1jf8 h LYS 25 CO -0.07 0.62 -1.63 1.49 -0.57 0.00 0.00 179.45 179.30 1jf8 h GLU 26 N 0.50 0.46 0.11 3.15 4.81 -1.43 -2.60 114.58 119.58 1jf8 h GLU 26 Ca 0.10 -0.79 -0.19 0.00 -0.13 0.00 0.00 59.36 58.35 1jf8 h GLU 26 Cb 0.45 0.29 0.01 0.00 0.63 0.00 0.00 28.75 30.14 1jf8 h GLU 26 CO 0.02 1.37 -0.87 0.82 -0.73 0.00 0.00 179.01 179.62 1jf8 h ILE 27 N 0.13 1.41 -0.53 2.32 2.04 -1.09 -3.37 117.51 118.42 1jf8 h ILE 27 Ca -0.30 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.09 1jf8 h ILE 27 Cb 2.13 3.08 0.00 0.00 -0.74 0.00 0.00 36.82 41.29 1jf8 h ILE 27 CO 0.22 0.69 0.00 0.18 0.00 0.00 0.00 178.15 179.24 1jf8 n LEU 28 N -4.15 3.62 -0.30 1.44 4.77 0.08 -4.81 117.00 117.66 1jf8 n LEU 28 Ca -0.17 -1.74 0.01 0.00 -0.03 0.00 0.00 56.01 54.09 1jf8 n LEU 28 Cb 0.80 -0.35 0.06 0.00 -2.33 0.00 0.00 43.42 41.60 1jf8 n LEU 28 CO 0.44 0.84 0.48 0.61 -1.33 0.00 0.00 177.39 178.44 1jf8 n GLY 29 N 1.49 -1.52 0.05 -0.72 0.00 -0.98 -2.53 105.19 100.98 1jf8 n GLY 29 Ca 0.21 0.87 -0.02 0.00 0.00 0.00 0.00 46.02 47.08 1jf8 n GLY 29 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jf8 h GLU 30 N 0.00 -0.06 -0.53 1.61 5.08 -1.87 -3.26 114.58 115.56 1jf8 h GLU 30 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1jf8 h GLU 30 Cb 0.51 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1jf8 h GLU 30 CO -0.80 -0.04 0.00 0.41 -1.00 0.00 0.00 179.01 177.59 1jf8 n GLY 31 N -1.05 3.16 2.93 -3.84 0.00 -1.23 -4.96 105.19 100.21 1jf8 n GLY 31 Ca -0.01 -0.94 -0.16 0.00 0.00 0.00 0.00 46.02 44.91 1jf8 n GLY 31 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jf8 s TRP 32 N -2.68 0.47 -0.21 1.61 0.52 -1.05 -1.03 118.94 116.57 1jf8 s TRP 32 Ca 0.52 -0.09 -0.14 0.00 0.02 0.00 0.00 56.10 56.41 1jf8 s TRP 32 Cb 0.40 -0.35 -0.04 0.00 -1.15 0.00 0.00 33.47 32.32 1jf8 s TRP 32 CO 0.16 -0.04 0.31 -0.80 0.02 0.00 0.00 176.95 176.59 1jf8 s ASN 33 N 0.15 6.34 -0.17 2.95 0.01 0.73 -4.61 114.94 120.34 1jf8 s ASN 33 Ca -0.01 0.39 0.00 0.00 -0.71 0.00 0.00 52.86 52.53 1jf8 s ASN 33 Cb -0.05 -2.18 0.01 0.00 0.41 0.00 0.00 41.25 39.43 1jf8 s ASN 33 CO -0.00 -0.00 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.74 1jf8 s VAL 34 N 1.08 2.51 0.20 1.60 1.01 -1.26 -1.61 120.40 123.93 1jf8 s VAL 34 Ca 0.15 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1jf8 s VAL 34 Cb -0.14 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1jf8 s VAL 34 CO 0.06 0.51 -0.08 -0.31 0.00 0.00 0.00 175.10 175.28 1jf8 s TYR 35 N 1.07 1.54 0.02 5.22 1.51 -0.76 -4.97 117.35 120.98 1jf8 s TYR 35 Ca -0.00 -0.75 -0.01 0.00 -1.01 0.00 0.00 57.07 55.30 1jf8 s TYR 35 Cb -0.14 -0.81 -0.02 0.00 -0.11 0.00 0.00 41.96 40.88 1jf8 s TYR 35 CO -0.05 0.15 -0.00 -1.54 -1.11 0.00 0.00 175.55 173.00 1jf8 s SER 36 N -3.28 0.22 0.32 2.29 1.04 -1.26 -1.17 113.70 111.86 1jf8 s SER 36 Ca 0.23 -0.48 -0.18 0.00 0.48 0.00 0.00 55.95 55.99 1jf8 s SER 36 Cb 0.03 0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.30 1jf8 s SER 36 CO 0.06 -0.33 0.73 0.00 0.98 0.00 0.00 173.24 174.67 1jf8 s ALA 37 N -1.61 -0.94 0.07 5.32 0.00 -0.38 -4.66 121.76 119.56 1jf8 s ALA 37 Ca -0.14 -0.54 -0.00 0.00 0.00 0.00 0.00 51.96 51.28 1jf8 s ALA 37 Cb -0.08 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 1jf8 s ALA 37 CO -0.01 -1.00 -0.03 0.20 0.00 0.00 0.00 175.76 174.92 1jf8 s GLY 38 N -2.99 0.63 0.30 0.00 0.00 0.25 -2.34 107.32 103.17 1jf8 s GLY 38 Ca 0.14 -1.29 0.01 0.00 0.00 0.00 0.00 44.72 43.58 1jf8 s GLY 38 CO 0.09 -1.36 1.84 -2.22 0.00 0.00 0.00 173.10 171.45 1jf8 h ILE 39 N 3.06 1.21 -3.05 0.90 1.08 -1.23 -1.36 117.51 118.12 1jf8 h ILE 39 Ca -0.35 -0.81 -0.45 0.00 -0.39 0.00 0.00 64.86 62.87 1jf8 h ILE 39 Cb 1.15 0.80 -0.14 0.00 -3.07 0.00 0.00 36.82 35.56 1jf8 h ILE 39 CO 0.65 0.29 -0.61 -1.61 -0.69 0.00 0.00 178.15 176.18 1jf8 s GLU 40 N -5.10 1.60 -0.26 2.37 2.02 0.10 -4.76 118.70 114.67 1jf8 s GLU 40 Ca -0.09 -1.88 -0.01 0.00 0.02 0.00 0.00 54.97 53.01 1jf8 s GLU 40 Cb 0.15 -0.73 0.04 0.00 0.10 0.00 0.00 34.13 33.69 1jf8 s GLU 40 CO 0.79 -0.22 -0.05 0.95 0.02 0.00 0.00 175.26 176.75 1jf8 s THR 41 N -3.40 2.80 -1.64 3.63 -4.23 -1.26 -4.02 115.64 107.52 1jf8 s THR 41 Ca 0.37 -1.21 0.16 0.00 -1.18 0.00 0.00 61.69 59.83 1jf8 s THR 41 Cb 0.08 -2.50 0.34 0.00 1.34 0.00 0.00 72.50 71.76 1jf8 s THR 41 CO 0.15 0.08 1.25 1.41 -0.54 0.00 0.00 174.62 176.97 1jf8 n HIS 42 N 4.62 0.44 0.00 3.99 8.25 0.13 -5.04 115.22 127.61 1jf8 n HIS 42 Ca -0.15 -0.31 0.00 0.00 -0.26 0.00 0.00 57.72 56.99 1jf8 n HIS 42 Cb 0.45 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.55 1jf8 n HIS 42 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jf8 n GLY 43 N 0.99 -1.42 3.63 -1.41 0.00 -1.26 -4.84 105.19 100.87 1jf8 n GLY 43 Ca 0.14 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 1jf8 n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jf8 s VAL 44 N -2.72 4.90 0.10 1.61 1.01 -1.26 -4.01 120.40 120.03 1jf8 s VAL 44 Ca 0.00 1.24 -0.31 0.00 0.00 0.00 0.00 61.98 62.91 1jf8 s VAL 44 Cb 0.00 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 1jf8 s VAL 44 CO 0.00 -0.07 1.80 0.21 0.00 0.00 0.00 175.10 177.05 1jf8 s ASN 45 N 1.48 6.47 0.51 3.32 3.84 -0.37 -4.88 114.94 125.30 1jf8 s ASN 45 Ca 0.30 2.69 0.21 0.00 0.21 0.00 0.00 52.86 56.26 1jf8 s ASN 45 Cb -0.15 -2.56 1.28 0.00 -0.55 0.00 0.00 41.25 39.27 1jf8 s ASN 45 CO 0.09 -0.98 2.02 -0.65 -2.79 0.00 0.00 177.10 174.79 1jf8 h PRO 46 N 8.76 0.10 0.00 0.43 0.11 -1.95 -0.87 132.00 138.57 1jf8 h PRO 46 Ca -0.46 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 1jf8 h PRO 46 Cb 1.22 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1jf8 h PRO 46 CO 0.94 0.06 -0.27 0.87 -0.21 0.00 0.00 178.00 179.40 1jf8 h LYS 47 N 0.10 0.00 -0.24 1.05 1.57 -1.97 -1.67 116.57 115.41 1jf8 h LYS 47 Ca 0.21 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.79 1jf8 h LYS 47 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1jf8 h LYS 47 CO -0.02 0.27 -0.63 0.00 -0.57 0.00 0.00 179.45 178.50 1jf8 h ALA 48 N 1.73 0.43 -0.44 3.86 0.00 -1.49 -0.49 119.26 122.87 1jf8 h ALA 48 Ca -0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1jf8 h ALA 48 Cb 0.70 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1jf8 h ALA 48 CO 0.03 0.68 0.13 0.82 0.00 0.00 0.00 179.25 180.92 1jf8 h ILE 49 N 0.61 1.22 -0.55 0.00 2.04 -1.37 -2.33 117.51 117.14 1jf8 h ILE 49 Ca -0.01 -0.74 -0.09 0.00 1.00 0.00 0.00 64.86 65.03 1jf8 h ILE 49 Cb 1.24 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 1jf8 h ILE 49 CO 0.13 0.26 -0.00 -0.33 0.00 0.00 0.00 178.15 178.22 1jf8 h GLU 50 N 0.57 0.93 -0.78 2.37 5.08 -1.27 -1.38 114.58 120.10 1jf8 h GLU 50 Ca 0.14 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1jf8 h GLU 50 Cb 0.27 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1jf8 h GLU 50 CO -0.00 0.92 0.35 0.00 -1.00 0.00 0.00 179.01 179.28 1jf8 h ALA 51 N 1.13 1.00 -0.04 3.43 0.00 -0.90 -2.12 119.26 121.77 1jf8 h ALA 51 Ca 0.16 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1jf8 h ALA 51 Cb 0.51 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1jf8 h ALA 51 CO 0.03 0.60 -0.83 0.52 0.00 0.00 0.00 179.25 179.56 1jf8 h MET 52 N 1.11 0.38 -0.42 0.00 2.86 -1.24 -3.10 114.93 114.52 1jf8 h MET 52 Ca 0.26 -0.36 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1jf8 h MET 52 Cb 0.16 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1jf8 h MET 52 CO -0.03 1.02 0.19 -0.22 1.06 0.00 0.00 176.91 178.93 1jf8 h LYS 53 N 0.23 0.59 -0.11 1.72 3.64 -0.97 -0.64 116.57 121.04 1jf8 h LYS 53 Ca -0.05 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1jf8 h LYS 53 Cb 1.44 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 1jf8 h LYS 53 CO 0.14 0.48 -0.04 1.49 -2.27 0.00 0.00 179.45 179.25 1jf8 h GLU 54 N 0.60 0.15 -0.52 1.90 4.81 -1.31 -1.36 114.58 118.85 1jf8 h GLU 54 Ca 0.15 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1jf8 h GLU 54 Cb 0.09 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1jf8 h GLU 54 CO -0.02 0.21 0.00 1.33 -0.73 0.00 0.00 179.01 179.80 1jf8 n VAL 55 N -4.40 2.66 -3.07 0.32 0.24 -0.74 -4.95 118.33 108.40 1jf8 n VAL 55 Ca -0.01 -1.49 -0.20 0.00 -2.04 0.00 0.00 64.34 60.59 1jf8 n VAL 55 Cb 0.18 -0.26 0.04 0.00 -1.47 0.00 0.00 33.84 32.33 1jf8 n VAL 55 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1jf8 n ASP 56 N 0.43 -5.72 -4.15 -1.34 8.00 -0.51 -5.02 116.55 108.22 1jf8 n ASP 56 Ca 0.27 -0.31 -0.32 0.00 0.71 0.00 0.00 54.79 55.13 1jf8 n ASP 56 Cb 1.14 -4.50 -0.16 0.00 -0.02 0.00 0.00 41.12 37.58 1jf8 n ASP 56 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1jf8 s ILE 57 N -3.16 2.01 -0.39 0.53 1.01 -0.33 -5.00 121.20 115.88 1jf8 s ILE 57 Ca 0.33 -0.94 -0.20 0.00 0.00 0.00 0.00 60.65 59.84 1jf8 s ILE 57 Cb -0.15 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.54 1jf8 s ILE 57 CO 0.41 0.54 0.60 -0.62 0.00 0.00 0.00 174.94 175.87 1jf8 s ASP 58 N 0.92 6.35 -0.12 3.58 2.15 -1.26 -2.82 116.67 125.47 1jf8 s ASP 58 Ca -0.05 -0.10 0.18 0.00 0.43 0.00 0.00 52.55 53.00 1jf8 s ASP 58 Cb -0.15 -2.30 0.27 0.00 -0.30 0.00 0.00 42.92 40.44 1jf8 s ASP 58 CO -0.04 -0.63 1.14 2.30 -0.17 0.00 0.00 175.17 177.77 1jf8 n ILE 59 N 5.63 1.76 0.29 4.11 -5.35 -1.26 -4.81 119.36 119.74 1jf8 n ILE 59 Ca -0.03 -2.12 0.17 0.00 -0.27 0.00 0.00 62.75 60.50 1jf8 n ILE 59 Cb 0.48 -0.19 0.91 0.00 -1.74 0.00 0.00 39.64 39.10 1jf8 n ILE 59 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1jf8 h SER 60 N 0.00 0.00 0.06 7.28 4.64 -1.91 -2.03 113.55 121.60 1jf8 h SER 60 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jf8 h SER 60 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1jf8 h SER 60 CO 0.00 0.04 -0.12 -0.46 -0.87 0.00 0.00 176.83 175.43 1jf8 n ASN 61 N -3.49 1.58 -4.76 4.97 2.04 -1.26 -4.96 115.26 109.38 1jf8 n ASN 61 Ca -0.02 -1.37 -0.36 0.00 -0.44 0.00 0.00 54.58 52.38 1jf8 n ASN 61 Cb 0.16 0.08 0.02 0.00 -2.53 0.00 0.00 39.78 37.51 1jf8 n ASN 61 CO 0.00 0.00 0.00 -1.00 -0.44 0.00 0.00 177.26 175.82 1jf8 s HIS 62 N -2.19 2.52 0.17 -2.53 3.76 -0.76 -5.05 115.29 111.21 1jf8 s HIS 62 Ca 0.31 1.50 0.10 0.00 -0.15 0.00 0.00 55.06 56.82 1jf8 s HIS 62 Cb 0.20 -3.49 -0.04 0.00 1.11 0.00 0.00 32.58 30.36 1jf8 s HIS 62 CO 0.41 -2.08 -0.21 0.95 -0.85 0.00 0.00 174.74 172.96 1jf8 s THR 63 N -1.55 2.02 -0.40 1.30 -4.23 -1.26 -4.94 115.64 106.57 1jf8 s THR 63 Ca 0.73 -1.94 -0.20 0.00 -1.18 0.00 0.00 61.69 59.10 1jf8 s THR 63 Cb -0.31 -1.93 0.01 0.00 1.34 0.00 0.00 72.50 71.61 1jf8 s THR 63 CO 0.35 -0.22 0.61 -0.55 -0.54 0.00 0.00 174.62 174.26 1jf8 s SER 64 N -2.62 6.34 0.10 3.99 0.15 -1.26 -4.96 113.70 115.44 1jf8 s SER 64 Ca 0.17 -0.20 0.09 0.00 0.70 0.00 0.00 55.95 56.71 1jf8 s SER 64 Cb -0.07 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 61.90 1jf8 s SER 64 CO 0.08 -0.67 -0.21 -1.81 1.20 0.00 0.00 173.24 171.82 1jf8 s ASP 65 N 1.90 3.66 0.50 5.45 1.01 -1.26 -4.85 116.67 123.07 1jf8 s ASP 65 Ca 0.22 -0.59 -0.19 0.00 0.71 0.00 0.00 52.55 52.69 1jf8 s ASP 65 Cb -0.15 -0.45 -0.08 0.00 1.01 0.00 0.00 42.92 43.26 1jf8 s ASP 65 CO 0.17 0.20 1.03 -0.76 0.21 0.00 0.00 175.17 176.01 1jf8 s LEU 66 N -1.93 3.79 0.36 1.23 1.43 -1.26 -0.58 118.68 121.72 1jf8 s LEU 66 Ca 0.16 1.86 -0.28 0.00 -1.03 0.00 0.00 54.13 54.83 1jf8 s LEU 66 Cb -0.10 -4.55 -0.11 0.00 0.03 0.00 0.00 46.19 41.46 1jf8 s LEU 66 CO 0.08 -0.78 1.52 -0.38 0.23 0.00 0.00 176.35 177.01 1jf8 n ILE 67 N -1.14 1.82 -5.04 -0.59 5.41 -0.51 -4.65 119.36 114.66 1jf8 n ILE 67 Ca 0.09 -0.45 -0.32 0.00 1.00 0.00 0.00 62.75 63.06 1jf8 n ILE 67 Cb 0.53 -1.99 -0.16 0.00 -0.71 0.00 0.00 39.64 37.30 1jf8 n ILE 67 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1jf8 s ASP 68 N -0.00 3.27 0.41 4.38 2.15 -1.26 -5.02 116.67 120.59 1jf8 s ASP 68 Ca 0.55 -0.52 0.09 0.00 0.43 0.00 0.00 52.55 53.09 1jf8 s ASP 68 Cb -0.47 -1.46 0.86 0.00 -0.30 0.00 0.00 42.92 41.55 1jf8 s ASP 68 CO 0.61 0.15 2.01 0.78 -0.17 0.00 0.00 175.17 178.54 1jf8 h ASN 69 N 6.83 0.35 -0.14 -0.34 2.35 -1.99 -2.04 115.58 120.59 1jf8 h ASN 69 Ca -0.23 -0.03 -0.17 0.00 -0.55 0.00 0.00 56.30 55.32 1jf8 h ASN 69 Cb 1.23 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.50 1jf8 h ASN 69 CO 0.50 0.34 -0.52 0.44 -1.65 0.00 0.00 177.43 176.54 1jf8 h ASP 70 N 0.38 0.79 -0.23 5.81 3.32 -1.99 -1.74 116.42 122.76 1jf8 h ASP 70 Ca 0.10 -0.41 -0.16 0.00 0.02 0.00 0.00 57.03 56.57 1jf8 h ASP 70 Cb 0.12 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1jf8 h ASP 70 CO -0.01 1.16 -0.45 0.40 -1.72 0.00 0.00 179.24 178.63 1jf8 h ILE 71 N 0.56 1.28 -0.47 0.35 2.04 -1.90 -2.79 117.51 116.58 1jf8 h ILE 71 Ca 0.02 -1.63 0.02 0.00 1.00 0.00 0.00 64.86 64.26 1jf8 h ILE 71 Cb 1.09 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.66 1jf8 h ILE 71 CO 0.11 0.53 0.28 -0.07 0.00 0.00 0.00 178.15 179.00 1jf8 h LEU 72 N 0.64 0.47 -1.55 1.44 3.38 -1.28 -1.27 115.31 117.13 1jf8 h LEU 72 Ca 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1jf8 h LEU 72 Cb 1.02 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1jf8 h LEU 72 CO 0.10 0.33 -0.12 0.11 0.09 0.00 0.00 178.44 178.95 1jf8 h LYS 73 N 0.57 0.13 -0.21 1.13 6.56 -1.28 -2.72 116.57 120.77 1jf8 h LYS 73 Ca 0.18 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.75 1jf8 h LYS 73 Cb -0.00 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.64 1jf8 h LYS 73 CO -0.08 0.27 0.00 1.04 -2.06 0.00 0.00 179.45 178.62 1jf8 n GLN 74 N -4.32 2.33 -2.66 3.15 1.13 -1.00 -4.96 117.38 111.04 1jf8 n GLN 74 Ca -0.01 -1.97 -0.39 0.00 -1.94 0.00 0.00 57.00 52.68 1jf8 n GLN 74 Cb 0.24 -1.48 -0.05 0.00 0.11 0.00 0.00 30.24 29.05 1jf8 n GLN 74 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1jf8 s SER 75 N -1.73 7.41 -0.05 1.08 0.01 -0.51 -4.66 113.70 115.25 1jf8 s SER 75 Ca 0.34 2.02 0.03 0.00 1.31 0.00 0.00 55.95 59.65 1jf8 s SER 75 Cb 0.21 -2.61 -0.25 0.00 0.21 0.00 0.00 66.02 63.58 1jf8 s SER 75 CO 0.31 -0.02 0.64 0.44 0.41 0.00 0.00 173.24 175.02 1jf8 h ASP 76 N 3.74 0.22 -3.21 2.44 3.32 -1.38 -3.43 116.42 118.13 1jf8 h ASP 76 Ca -0.46 -0.43 -0.20 0.00 0.02 0.00 0.00 57.03 55.96 1jf8 h ASP 76 Cb 1.20 -0.07 -0.31 0.00 0.22 0.00 0.00 39.33 40.37 1jf8 h ASP 76 CO 0.67 1.38 -0.50 -0.22 -1.72 0.00 0.00 179.24 178.84 1jf8 s LEU 77 N -6.63 0.20 -0.21 1.55 0.20 -0.97 -2.89 118.68 109.94 1jf8 s LEU 77 Ca -0.11 0.54 -0.05 0.00 0.69 0.00 0.00 54.13 55.20 1jf8 s LEU 77 Cb 0.07 0.71 -0.02 0.00 -0.43 0.00 0.00 46.19 46.52 1jf8 s LEU 77 CO 0.81 -0.19 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.98 1jf8 s VAL 78 N 1.62 3.77 -0.20 1.68 1.01 0.05 -1.39 120.40 126.93 1jf8 s VAL 78 Ca -0.06 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 1jf8 s VAL 78 Cb -0.11 -2.71 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 1jf8 s VAL 78 CO -0.08 0.42 -0.10 -0.69 0.00 0.00 0.00 175.10 174.65 1jf8 s VAL 79 N 1.16 2.94 -0.06 2.92 1.01 0.21 -1.35 120.40 127.23 1jf8 s VAL 79 Ca 0.03 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 1jf8 s VAL 79 Cb -0.14 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 1jf8 s VAL 79 CO 0.01 0.47 0.29 0.42 0.00 0.00 0.00 175.10 176.28 1jf8 s THR 80 N 1.34 5.25 -1.10 3.92 -4.23 -0.50 -0.43 115.64 119.89 1jf8 s THR 80 Ca 0.04 0.56 0.13 0.00 -1.18 0.00 0.00 61.69 61.25 1jf8 s THR 80 Cb -0.14 -3.58 -0.03 0.00 1.34 0.00 0.00 72.50 70.09 1jf8 s THR 80 CO -0.06 0.58 0.71 0.18 -0.54 0.00 0.00 174.62 175.49 1jf8 n LEU 81 N 2.06 1.27 -3.86 4.79 4.77 -0.22 -1.30 117.00 124.51 1jf8 n LEU 81 Ca -0.16 -0.71 -0.10 0.00 -0.03 0.00 0.00 56.01 55.01 1jf8 n LEU 81 Cb 0.53 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 1jf8 n LEU 81 CO 0.35 0.25 -0.11 0.00 -1.33 0.00 0.00 177.39 176.56 1jf8 h SER 83 N 3.24 1.04 -0.62 0.00 4.64 -1.95 -2.56 113.55 117.34 1jf8 h SER 83 Ca -0.33 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 60.82 1jf8 h SER 83 Cb 1.19 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.99 1jf8 h SER 83 CO 0.51 0.84 0.11 0.44 -0.87 0.00 0.00 176.83 177.86 1jf8 h ASP 84 N 1.17 1.00 -0.28 4.97 3.32 -1.99 -2.23 116.42 122.38 1jf8 h ASP 84 Ca 0.29 -0.23 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 1jf8 h ASP 84 Cb 0.04 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1jf8 h ASP 84 CO -0.05 0.99 -0.14 0.00 -1.72 0.00 0.00 179.24 178.33 1jf8 h ALA 85 N 1.12 1.02 -0.73 3.45 0.00 -1.86 -0.26 119.26 122.00 1jf8 h ALA 85 Ca 0.20 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1jf8 h ALA 85 Cb 0.42 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1jf8 h ALA 85 CO 0.01 0.59 0.20 0.22 0.00 0.00 0.00 179.25 180.27 1jf8 h ASP 86 N 0.64 1.09 1.01 0.00 -0.00 -1.11 -1.06 116.42 116.99 1jf8 h ASP 86 Ca 0.11 -0.22 -0.18 0.00 -0.00 0.00 0.00 57.03 56.73 1jf8 h ASP 86 Cb 0.61 -0.29 -0.03 0.00 -0.00 0.00 0.00 39.33 39.62 1jf8 h ASP 86 CO 0.04 1.03 -1.05 0.78 -0.00 0.00 0.00 179.24 180.04 1jf8 h ASN 87 N 1.10 0.00 0.43 2.28 2.35 -1.25 -3.33 115.58 117.15 1jf8 h ASN 87 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1jf8 h ASN 87 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1jf8 h ASN 87 CO -0.00 0.76 -0.64 0.59 -1.65 0.00 0.00 177.43 176.48 1jf8 n ASN 88 N -3.17 0.61 -4.75 5.81 3.02 -0.12 -4.93 115.26 111.73 1jf8 n ASN 88 Ca -0.04 -0.35 -0.41 0.00 -0.03 0.00 0.00 54.58 53.74 1jf8 n ASN 88 Cb 0.87 0.43 -0.02 0.00 -0.61 0.00 0.00 39.78 40.45 1jf8 n ASN 88 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jf8 s PRO 90 N -0.39 1.13 0.04 0.00 0.02 -1.26 -4.90 135.00 129.63 1jf8 s PRO 90 Ca 0.62 1.59 -0.30 0.00 0.02 0.00 0.00 61.00 62.93 1jf8 s PRO 90 Cb -0.46 -1.74 -0.08 0.00 0.02 0.00 0.00 34.50 32.25 1jf8 s PRO 90 CO 0.46 -2.56 1.69 0.42 -0.33 0.00 0.00 177.00 176.67 1jf8 s ILE 91 N -2.55 3.16 0.47 2.83 1.01 -1.26 -4.97 121.20 119.88 1jf8 s ILE 91 Ca 0.68 0.49 -0.08 0.00 0.00 0.00 0.00 60.65 61.73 1jf8 s ILE 91 Cb -0.24 -3.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 1jf8 s ILE 91 CO 0.57 -0.02 0.82 -0.76 0.00 0.00 0.00 174.94 175.55 1jf8 s LEU 92 N 3.14 3.66 0.63 2.97 1.43 -1.26 -5.06 118.68 124.19 1jf8 s LEU 92 Ca 0.75 1.09 -0.18 0.00 -1.03 0.00 0.00 54.13 54.76 1jf8 s LEU 92 Cb -0.39 -4.03 -0.02 0.00 0.03 0.00 0.00 46.19 41.79 1jf8 s LEU 92 CO 0.33 -0.54 1.25 -2.84 0.23 0.00 0.00 176.35 174.77 1jf8 s PRO 93 N -4.42 2.73 0.59 1.29 0.02 -1.26 -4.89 135.00 129.05 1jf8 s PRO 93 Ca 0.50 1.94 0.29 0.00 0.02 0.00 0.00 61.00 63.75 1jf8 s PRO 93 Cb -0.10 -1.88 1.63 0.00 0.02 0.00 0.00 34.50 34.16 1jf8 s PRO 93 CO 0.40 -1.43 2.05 -1.35 -0.33 0.00 0.00 177.00 176.34 1jf8 h PRO 94 N 0.66 0.00 -0.01 5.54 0.11 -2.01 -1.88 132.00 134.42 1jf8 h PRO 94 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1jf8 h PRO 94 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1jf8 h PRO 94 CO 0.54 0.00 -0.27 0.27 -0.21 0.00 0.00 178.00 178.32 1jf8 n ASN 95 N -3.72 1.05 -4.58 -2.05 6.94 -1.26 -4.82 115.26 106.81 1jf8 n ASN 95 Ca 0.03 -0.90 -0.39 0.00 -0.02 0.00 0.00 54.58 53.30 1jf8 n ASN 95 Cb 0.40 0.15 -0.10 0.00 -2.36 0.00 0.00 39.78 37.88 1jf8 n ASN 95 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1jf8 s VAL 96 N -2.52 5.21 0.32 3.53 1.01 -0.71 -4.95 120.40 122.29 1jf8 s VAL 96 Ca 0.24 0.27 -0.27 0.00 0.00 0.00 0.00 61.98 62.22 1jf8 s VAL 96 Cb 0.19 -3.69 -0.10 0.00 0.00 0.00 0.00 36.38 32.78 1jf8 s VAL 96 CO 0.53 0.10 0.97 -0.54 0.00 0.00 0.00 175.10 176.16 1jf8 s LYS 97 N 1.95 4.58 -0.07 2.72 1.02 -1.14 -4.75 119.74 124.06 1jf8 s LYS 97 Ca 0.11 1.42 0.03 0.00 0.02 0.00 0.00 55.97 57.55 1jf8 s LYS 97 Cb -0.16 -2.88 0.01 0.00 -0.52 0.00 0.00 37.83 34.28 1jf8 s LYS 97 CO 0.11 0.26 -0.15 0.21 -0.92 0.00 0.00 175.35 174.85 1jf8 s LYS 98 N -1.91 1.96 0.02 1.68 2.20 -1.26 -0.77 119.74 121.65 1jf8 s LYS 98 Ca 0.49 -0.54 0.03 0.00 -0.36 0.00 0.00 55.97 55.58 1jf8 s LYS 98 Cb -0.21 -1.60 -0.01 0.00 -1.51 0.00 0.00 37.83 34.50 1jf8 s LYS 98 CO 0.27 0.11 -0.08 -1.21 -0.36 0.00 0.00 175.35 174.07 1jf8 s GLU 99 N 0.45 0.60 -0.30 4.03 2.02 -0.46 -4.98 118.70 120.07 1jf8 s GLU 99 Ca -0.13 -0.49 -0.06 0.00 0.02 0.00 0.00 54.97 54.31 1jf8 s GLU 99 Cb -0.15 -0.52 0.02 0.00 0.10 0.00 0.00 34.13 33.57 1jf8 s GLU 99 CO 0.04 0.13 0.06 -1.58 0.02 0.00 0.00 175.26 173.93 1jf8 s HIS 100 N -0.66 3.16 -0.56 1.61 5.65 -1.26 -1.40 115.29 121.83 1jf8 s HIS 100 Ca -0.02 -1.21 -0.02 0.00 0.25 0.00 0.00 55.06 54.07 1jf8 s HIS 100 Cb -0.06 -2.22 0.14 0.00 -1.18 0.00 0.00 32.58 29.26 1jf8 s HIS 100 CO 0.00 -0.64 0.36 -1.58 -0.65 0.00 0.00 174.74 172.23 1jf8 s TRP 101 N 1.44 3.45 0.12 3.88 0.51 -0.42 -4.97 118.94 122.95 1jf8 s TRP 101 Ca 0.01 -2.67 -0.30 0.00 -2.12 0.00 0.00 56.10 51.02 1jf8 s TRP 101 Cb -0.18 -3.18 -0.06 0.00 -0.81 0.00 0.00 33.47 29.24 1jf8 s TRP 101 CO 0.01 -0.87 1.07 0.20 -0.51 0.00 0.00 176.95 176.85 1jf8 s GLY 102 N 0.93 2.82 0.03 0.98 0.00 -1.26 -4.20 107.32 106.62 1jf8 s GLY 102 Ca 0.14 0.73 0.03 0.00 0.00 0.00 0.00 44.72 45.63 1jf8 s GLY 102 CO -0.03 1.68 -0.10 -1.36 0.00 0.00 0.00 173.10 173.28 1jf8 s PHE 103 N 0.18 0.91 0.49 1.90 0.40 -1.10 -5.05 117.98 115.71 1jf8 s PHE 103 Ca 0.51 -0.34 -0.23 0.00 -0.60 0.00 0.00 56.93 56.26 1jf8 s PHE 103 Cb -0.27 -0.55 -0.07 0.00 0.51 0.00 0.00 43.02 42.65 1jf8 s PHE 103 CO 0.32 -0.01 1.34 -0.51 0.70 0.00 0.00 175.22 177.06 1jf8 s ASP 104 N -1.07 5.71 -0.33 1.36 1.01 -1.26 -4.81 116.67 117.28 1jf8 s ASP 104 Ca -0.02 2.72 -0.29 0.00 0.71 0.00 0.00 52.55 55.67 1jf8 s ASP 104 Cb -0.07 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.23 1jf8 s ASP 104 CO 0.01 -1.27 1.16 -0.62 0.21 0.00 0.00 175.17 174.66 1jf8 s ASP 105 N -0.88 6.82 0.00 0.27 -1.08 -1.26 -4.92 116.67 115.62 1jf8 s ASP 105 Ca 0.66 1.06 0.29 0.00 -0.52 0.00 0.00 52.55 54.03 1jf8 s ASP 105 Cb -0.39 -2.54 1.26 0.00 -1.46 0.00 0.00 42.92 39.79 1jf8 s ASP 105 CO 0.48 -0.98 1.92 -0.81 0.52 0.00 0.00 175.17 176.30 1jf8 n PRO 106 N 7.10 0.15 -1.71 4.34 -0.04 -1.26 -4.86 135.00 138.72 1jf8 n PRO 106 Ca 0.13 -0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.16 1jf8 n PRO 106 Cb 0.47 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 1jf8 n PRO 106 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jf8 s ALA 107 N -2.86 3.89 0.00 0.55 0.00 -1.26 -1.96 121.76 120.12 1jf8 s ALA 107 Ca 0.18 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.70 1jf8 s ALA 107 Cb 0.19 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1jf8 s ALA 107 CO 0.52 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.66 1jf8 n GLY 108 N 4.08 1.41 4.01 0.00 0.00 -1.26 -5.02 105.19 108.41 1jf8 n GLY 108 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1jf8 n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jf8 s LYS 109 N -0.01 2.07 0.69 1.61 -0.14 -0.83 -5.08 119.74 118.06 1jf8 s LYS 109 Ca 0.00 -1.26 -0.15 0.00 -1.36 0.00 0.00 55.97 53.21 1jf8 s LYS 109 Cb 0.00 -2.49 0.02 0.00 -1.68 0.00 0.00 37.83 33.68 1jf8 s LYS 109 CO 0.00 -1.08 1.15 -1.21 -0.76 0.00 0.00 175.35 173.45 1jf8 s GLU 110 N -4.88 2.50 0.49 1.68 2.02 -1.26 -4.90 118.70 114.34 1jf8 s GLU 110 Ca 0.63 1.55 0.22 0.00 0.02 0.00 0.00 54.97 57.38 1jf8 s GLU 110 Cb -0.06 -1.90 1.26 0.00 0.10 0.00 0.00 34.13 33.53 1jf8 s GLU 110 CO 0.41 -1.51 1.95 2.35 0.02 0.00 0.00 175.26 178.48 1jf8 h TRP 111 N -0.12 0.21 -0.22 1.61 2.91 -1.98 -0.96 115.95 117.40 1jf8 h TRP 111 Ca -0.47 0.01 0.06 0.00 1.13 0.00 0.00 58.89 59.62 1jf8 h TRP 111 Cb 1.27 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.84 1jf8 h TRP 111 CO 0.51 0.08 0.19 0.66 -1.03 0.00 0.00 178.44 178.85 1jf8 h SER 112 N 0.18 0.00 0.86 2.65 4.64 -2.00 -0.55 113.55 119.33 1jf8 h SER 112 Ca 0.33 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.47 1jf8 h SER 112 Cb 1.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.09 1jf8 h SER 112 CO -0.06 0.00 -0.83 -0.33 -0.87 0.00 0.00 176.83 174.74 1jf8 h GLU 113 N 0.00 0.00 -0.40 4.77 4.39 -1.52 -0.94 114.58 120.87 1jf8 h GLU 113 Ca 0.10 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.65 1jf8 h GLU 113 Cb 0.48 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1jf8 h GLU 113 CO -0.00 0.83 -0.36 0.74 -1.16 0.00 0.00 179.01 179.07 1jf8 h PHE 114 N 0.00 1.12 -0.35 4.33 -1.00 -1.21 -1.28 116.94 118.55 1jf8 h PHE 114 Ca -0.01 -0.33 -0.04 0.00 2.81 0.00 0.00 57.97 60.40 1jf8 h PHE 114 Cb 1.49 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 40.80 1jf8 h PHE 114 CO 0.00 1.15 0.06 1.96 -1.61 0.00 0.00 178.31 179.87 1jf8 h GLN 115 N 0.78 0.59 0.19 1.51 4.20 -1.34 -1.58 115.11 119.46 1jf8 h GLN 115 Ca 0.07 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1jf8 h GLN 115 Cb 0.95 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1jf8 h GLN 115 CO 0.09 0.66 -0.09 -0.09 -0.67 0.00 0.00 178.83 178.73 1jf8 h ARG 116 N 0.42 -0.25 -0.57 1.46 2.43 -1.09 -2.55 114.38 114.23 1jf8 h ARG 116 Ca 0.11 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1jf8 h ARG 116 Cb 0.36 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 1jf8 h ARG 116 CO 0.01 -0.07 0.11 0.28 -1.51 0.00 0.00 179.97 178.79 1jf8 h VAL 117 N -0.39 1.24 -0.38 0.20 2.07 -1.25 -1.66 116.25 116.08 1jf8 h VAL 117 Ca -0.03 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.64 1jf8 h VAL 117 Cb 0.30 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1jf8 h VAL 117 CO 0.04 0.33 0.13 -0.09 0.02 0.00 0.00 177.57 178.01 1jf8 h ARG 118 N 0.85 0.28 0.00 1.57 2.43 -1.22 -1.63 114.38 116.65 1jf8 h ARG 118 Ca 0.18 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.22 1jf8 h ARG 118 Cb 0.35 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1jf8 h ARG 118 CO 0.00 0.18 -0.56 -0.44 -1.51 0.00 0.00 179.97 177.65 1jf8 h ASP 119 N 0.28 0.00 -0.22 -3.80 3.32 -1.10 -2.47 116.42 112.43 1jf8 h ASP 119 Ca 0.17 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.09 1jf8 h ASP 119 Cb 0.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1jf8 h ASP 119 CO -0.18 0.56 -0.33 -0.33 -1.72 0.00 0.00 179.24 177.24 1jf8 h GLU 120 N 0.00 0.74 -0.58 3.56 5.08 -0.92 -2.51 114.58 119.95 1jf8 h GLU 120 Ca -0.01 -0.35 -0.09 0.00 -1.00 0.00 0.00 59.36 57.92 1jf8 h GLU 120 Cb 1.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1jf8 h GLU 120 CO 0.07 0.96 0.00 0.82 -1.00 0.00 0.00 179.01 179.86 1jf8 h ILE 121 N 0.62 1.26 -0.06 3.13 2.04 -1.13 -2.13 117.51 121.24 1jf8 h ILE 121 Ca 0.07 -1.13 0.02 0.00 1.00 0.00 0.00 64.86 64.82 1jf8 h ILE 121 Cb 0.86 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1jf8 h ILE 121 CO 0.07 0.41 -0.06 0.50 0.00 0.00 0.00 178.15 179.07 1jf8 h LYS 122 N 0.93 -0.07 -0.48 2.37 3.64 -1.26 -1.89 116.57 119.80 1jf8 h LYS 122 Ca 0.17 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1jf8 h LYS 122 Cb 0.54 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1jf8 h LYS 122 CO 0.03 -0.05 0.24 -0.07 -2.27 0.00 0.00 179.45 177.33 1jf8 h LEU 123 N -0.08 0.60 -0.52 5.20 3.38 -1.23 -1.06 115.31 121.60 1jf8 h LEU 123 Ca 0.05 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1jf8 h LEU 123 Cb 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1jf8 h LEU 123 CO -0.11 0.51 -0.40 0.00 0.09 0.00 0.00 178.44 178.52 1jf8 h ALA 124 N 1.59 0.70 -0.07 1.53 0.00 -1.09 -1.60 119.26 120.32 1jf8 h ALA 124 Ca 0.17 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 1jf8 h ALA 124 Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1jf8 h ALA 124 CO -0.02 0.67 -0.70 0.82 0.00 0.00 0.00 179.25 180.02 1jf8 h ILE 125 N 0.62 1.39 -0.28 0.00 2.04 -0.94 -1.92 117.51 118.43 1jf8 h ILE 125 Ca 0.05 -2.12 -0.12 0.00 1.00 0.00 0.00 64.86 63.67 1jf8 h ILE 125 Cb 0.96 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 1jf8 h ILE 125 CO 0.09 0.63 -0.34 -0.33 0.00 0.00 0.00 178.15 178.20 1jf8 h GLU 126 N 0.24 0.61 -0.40 2.37 5.08 -1.09 -1.88 114.58 119.51 1jf8 h GLU 126 Ca -0.02 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 57.95 1jf8 h GLU 126 Cb 1.25 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1jf8 h GLU 126 CO 0.12 0.86 -0.19 -0.22 -1.00 0.00 0.00 179.01 178.58 1jf8 h LYS 127 N 0.51 0.77 -0.58 2.33 3.64 -1.17 -2.95 116.57 119.12 1jf8 h LYS 127 Ca 0.06 -0.29 -0.06 0.00 -1.27 0.00 0.00 60.65 59.08 1jf8 h LYS 127 Cb 0.83 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1jf8 h LYS 127 CO 0.07 0.90 0.13 0.35 -2.27 0.00 0.00 179.45 178.62 1jf8 h PHE 128 N 0.68 0.99 -0.39 1.91 3.57 -1.08 -2.86 116.94 119.77 1jf8 h PHE 128 Ca 0.10 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.50 1jf8 h PHE 128 Cb 0.68 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1jf8 h PHE 128 CO 0.04 0.85 0.26 -0.22 -2.23 0.00 0.00 178.31 177.01 1jf8 h LYS 129 N 0.84 0.41 0.00 1.11 3.64 -1.18 -2.39 116.57 119.00 1jf8 h LYS 129 Ca 0.18 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1jf8 h LYS 129 Cb 0.37 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1jf8 h LYS 129 CO 0.01 0.27 0.00 -0.11 -2.27 0.00 0.00 179.45 177.35 1jf8 n LEU 130 N -4.48 0.00 0.00 5.20 7.94 -1.08 -5.12 117.00 119.46 1jf8 n LEU 130 Ca 0.04 0.23 0.11 0.00 -1.11 0.00 0.00 56.01 55.28 1jf8 n LEU 130 Cb 0.14 -0.23 0.65 0.00 0.53 0.00 0.00 43.42 44.51 1jf8 n LEU 130 CO 0.35 -0.00 0.84 0.54 -1.11 0.00 0.00 177.39 178.00