#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fd7 n PRO 2 N 0.00 0.27 -0.00 0.00 -0.04 -1.26 -4.95 135.00 129.02 1fd7 n PRO 2 Ca 0.00 0.15 0.05 0.00 -0.04 0.00 0.00 63.50 63.66 1fd7 n PRO 2 Cb 0.00 -2.10 -0.06 0.00 -0.04 0.00 0.00 33.50 31.30 1fd7 n PRO 2 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1fd7 n GLN 3 N -1.79 3.17 -4.02 0.54 6.02 -1.26 -4.95 117.38 115.09 1fd7 n GLN 3 Ca 0.11 -0.01 -0.09 0.00 -0.01 0.00 0.00 57.00 57.00 1fd7 n GLN 3 Cb 0.50 -1.03 -0.08 0.00 1.02 0.00 0.00 30.24 30.65 1fd7 n GLN 3 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1fd7 s THR 4 N -2.08 0.11 0.35 5.09 -4.23 -1.26 -5.04 115.64 108.57 1fd7 s THR 4 Ca 0.03 -1.58 0.05 0.00 -1.18 0.00 0.00 61.69 59.01 1fd7 s THR 4 Cb 0.08 -1.80 0.18 0.00 1.34 0.00 0.00 72.50 72.30 1fd7 s THR 4 CO 0.44 -0.48 1.91 -0.29 -0.54 0.00 0.00 174.62 175.66 1fd7 h ILE 5 N 2.75 1.18 -0.32 2.99 2.10 -1.96 -1.72 117.51 122.54 1fd7 h ILE 5 Ca -0.33 -0.68 -0.13 0.00 1.08 0.00 0.00 64.86 64.80 1fd7 h ILE 5 Cb 1.20 0.86 -0.01 0.00 -1.09 0.00 0.00 36.82 37.78 1fd7 h ILE 5 CO 0.55 0.24 -0.33 0.74 -1.08 0.00 0.00 178.15 178.27 1fd7 h THR 6 N 0.52 1.28 -0.38 2.19 2.02 -1.98 0.19 112.91 116.75 1fd7 h THR 6 Ca 0.12 -1.47 -0.09 0.00 0.77 0.00 0.00 66.41 65.74 1fd7 h THR 6 Cb 0.26 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1fd7 h THR 6 CO 0.00 0.48 -0.10 -0.33 0.37 0.00 0.00 175.52 175.94 1fd7 h GLU 7 N 0.59 0.74 -0.27 6.66 5.08 -1.91 -0.79 114.58 124.68 1fd7 h GLU 7 Ca 0.06 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 1fd7 h GLU 7 Cb 0.84 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1fd7 h GLU 7 CO 0.07 0.89 -0.02 1.25 -1.00 0.00 0.00 179.01 180.20 1fd7 h LEU 8 N 0.54 0.48 -1.47 1.33 6.46 -1.19 -2.85 115.31 118.62 1fd7 h LEU 8 Ca 0.09 -0.33 0.05 0.00 -0.12 0.00 0.00 57.88 57.57 1fd7 h LEU 8 Cb 0.62 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.39 1fd7 h LEU 8 CO 0.04 0.69 0.41 0.00 -0.62 0.00 0.00 178.44 178.96 1fd7 h SER 10 N 0.67 0.00 0.75 0.00 0.02 -0.90 -2.50 113.55 111.59 1fd7 h SER 10 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1fd7 h SER 10 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1fd7 h SER 10 CO -0.07 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.00 1fd7 n GLU 11 N -3.09 0.04 -4.65 3.45 1.02 -0.80 -4.78 120.64 111.83 1fd7 n GLU 11 Ca -0.02 0.19 -0.32 0.00 -0.02 0.00 0.00 57.16 57.00 1fd7 n GLU 11 Cb 0.16 -1.56 -0.12 0.00 -0.02 0.00 0.00 31.44 29.89 1fd7 n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1fd7 s TYR 12 N -3.04 2.69 0.81 -0.32 1.51 -0.94 -5.13 117.35 112.92 1fd7 s TYR 12 Ca 0.09 -0.17 -0.11 0.00 -1.01 0.00 0.00 57.07 55.87 1fd7 s TYR 12 Cb 0.13 -1.55 0.09 0.00 -0.11 0.00 0.00 41.96 40.52 1fd7 s TYR 12 CO 0.38 0.27 1.16 1.03 -1.11 0.00 0.00 175.55 177.29 1fd7 s ARG 13 N -1.28 1.86 -1.51 -0.62 0.52 -1.26 -4.12 118.95 112.53 1fd7 s ARG 13 Ca 0.15 -0.03 -0.04 0.00 -0.52 0.00 0.00 55.73 55.28 1fd7 s ARG 13 Cb -0.11 -1.98 0.02 0.00 0.52 0.00 0.00 34.95 33.39 1fd7 s ARG 13 CO 0.05 -1.62 0.45 0.09 0.02 0.00 0.00 175.30 174.29 1fd7 n ASN 14 N -3.29 -5.53 -4.39 0.23 5.03 -1.26 -4.97 115.26 101.08 1fd7 n ASN 14 Ca 0.09 -0.22 -0.20 0.00 0.87 0.00 0.00 54.58 55.12 1fd7 n ASN 14 Cb 0.61 -4.52 -0.10 0.00 -1.02 0.00 0.00 39.78 34.75 1fd7 n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1fd7 s THR 15 N -3.07 1.45 0.06 3.41 -4.23 -1.26 -0.98 115.64 111.01 1fd7 s THR 15 Ca 0.25 -2.10 -0.21 0.00 -1.18 0.00 0.00 61.69 58.45 1fd7 s THR 15 Cb -0.12 -2.38 0.05 0.00 1.34 0.00 0.00 72.50 71.39 1fd7 s THR 15 CO 0.31 -0.34 0.48 0.00 -0.54 0.00 0.00 174.62 174.53 1fd7 s GLN 16 N -3.76 1.02 -0.19 3.99 -2.07 -0.78 -4.92 119.66 112.95 1fd7 s GLN 16 Ca 0.28 -0.32 -0.16 0.00 -1.82 0.00 0.00 55.36 53.35 1fd7 s GLN 16 Cb 0.04 0.46 -0.04 0.00 -1.09 0.00 0.00 33.01 32.38 1fd7 s GLN 16 CO 0.10 -0.37 0.38 0.42 -1.32 0.00 0.00 175.29 174.51 1fd7 s ILE 17 N -2.63 5.22 -0.21 3.63 -1.09 -1.26 -1.16 121.20 123.70 1fd7 s ILE 17 Ca -0.04 0.70 -0.08 0.00 -2.23 0.00 0.00 60.65 58.99 1fd7 s ILE 17 Cb -0.00 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.12 1fd7 s ILE 17 CO -0.03 0.28 0.08 -0.31 -1.23 0.00 0.00 174.94 173.73 1fd7 s TYR 18 N 1.10 3.24 -0.32 3.97 1.51 -0.06 -4.97 117.35 121.82 1fd7 s TYR 18 Ca 0.19 0.03 -0.16 0.00 -1.01 0.00 0.00 57.07 56.12 1fd7 s TYR 18 Cb -0.14 -2.15 -0.02 0.00 -0.11 0.00 0.00 41.96 39.54 1fd7 s TYR 18 CO 0.07 0.05 0.42 0.99 -1.11 0.00 0.00 175.55 175.98 1fd7 s THR 19 N 0.72 5.12 -0.15 -0.71 2.01 -1.26 -0.98 115.64 120.39 1fd7 s THR 19 Ca 0.04 0.31 -0.11 0.00 0.31 0.00 0.00 61.69 62.24 1fd7 s THR 19 Cb -0.13 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 1fd7 s THR 19 CO 0.02 -0.06 -0.17 -0.38 -0.69 0.00 0.00 174.62 173.34 1fd7 n ILE 20 N 5.26 1.44 -3.81 1.82 2.08 0.78 -5.00 119.36 121.93 1fd7 n ILE 20 Ca -0.07 0.18 -0.24 0.00 0.56 0.00 0.00 62.75 63.18 1fd7 n ILE 20 Cb 0.50 -2.36 0.01 0.00 -0.75 0.00 0.00 39.64 37.04 1fd7 n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1fd7 n ASN 21 N -4.58 -1.11 -3.52 4.38 5.15 0.01 -4.94 115.26 110.65 1fd7 n ASN 21 Ca -0.10 -0.92 -0.09 0.00 -0.60 0.00 0.00 54.58 52.87 1fd7 n ASN 21 Cb 0.33 -3.56 -0.03 0.00 -0.53 0.00 0.00 39.78 36.00 1fd7 n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1fd7 s ASP 22 N -4.30 -0.36 0.64 1.20 2.15 -0.92 -4.92 116.67 110.16 1fd7 s ASP 22 Ca 0.04 0.07 -0.12 0.00 0.43 0.00 0.00 52.55 52.97 1fd7 s ASP 22 Cb -0.01 0.37 -0.02 0.00 -0.30 0.00 0.00 42.92 42.95 1fd7 s ASP 22 CO 0.85 -0.57 1.04 -1.59 -0.17 0.00 0.00 175.17 174.74 1fd7 s LYS 23 N -2.76 3.32 0.23 4.34 -2.85 -1.26 -0.75 119.74 120.00 1fd7 s LYS 23 Ca 0.04 0.91 -0.30 0.00 -1.00 0.00 0.00 55.97 55.62 1fd7 s LYS 23 Cb -0.01 -2.04 -0.09 0.00 -2.06 0.00 0.00 37.83 33.63 1fd7 s LYS 23 CO -0.07 -0.80 1.36 0.42 0.10 0.00 0.00 175.35 176.36 1fd7 s ILE 24 N -2.99 2.95 -0.12 3.79 1.01 -1.26 -4.76 121.20 119.83 1fd7 s ILE 24 Ca 0.58 0.81 -0.21 0.00 0.00 0.00 0.00 60.65 61.83 1fd7 s ILE 24 Cb -0.13 -3.51 -0.26 0.00 0.01 0.00 0.00 42.46 38.56 1fd7 s ILE 24 CO 0.50 0.13 0.61 0.25 0.00 0.00 0.00 174.94 176.44 1fd7 h LEU 25 N 5.03 0.26 -8.00 2.97 5.85 -0.98 -3.48 115.31 116.96 1fd7 h LEU 25 Ca -0.46 -0.85 -0.27 0.00 0.84 0.00 0.00 57.88 57.15 1fd7 h LEU 25 Cb 1.22 -0.08 -0.24 0.00 0.37 0.00 0.00 40.66 41.92 1fd7 h LEU 25 CO 0.76 1.43 -0.73 -0.94 -0.34 0.00 0.00 178.44 178.62 1fd7 s SER 26 N -6.83 0.57 -0.11 1.25 1.04 -1.09 -4.97 113.70 103.57 1fd7 s SER 26 Ca -0.20 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 55.93 1fd7 s SER 26 Cb 0.02 0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.16 1fd7 s SER 26 CO 0.73 -0.11 -0.19 -0.47 0.98 0.00 0.00 173.24 174.19 1fd7 s TYR 27 N -0.81 2.23 -0.07 5.02 6.14 -1.26 -1.07 117.35 127.54 1fd7 s TYR 27 Ca -0.06 -1.01 0.02 0.00 0.64 0.00 0.00 57.07 56.66 1fd7 s TYR 27 Cb -0.06 -1.55 0.01 0.00 0.42 0.00 0.00 41.96 40.79 1fd7 s TYR 27 CO -0.00 -0.47 -0.12 0.99 0.64 0.00 0.00 175.55 176.59 1fd7 s THR 28 N 0.74 1.11 -0.03 4.34 2.01 -0.31 -5.00 115.64 118.49 1fd7 s THR 28 Ca -0.11 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.46 1fd7 s THR 28 Cb -0.16 -1.02 0.01 0.00 0.01 0.00 0.00 72.50 71.34 1fd7 s THR 28 CO 0.02 0.35 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.51 1fd7 s GLU 29 N 0.71 1.02 0.02 4.92 2.12 -1.26 -0.61 118.70 125.63 1fd7 s GLU 29 Ca -0.14 -0.28 0.08 0.00 0.36 0.00 0.00 54.97 54.99 1fd7 s GLU 29 Cb -0.16 -0.94 -0.02 0.00 0.26 0.00 0.00 34.13 33.27 1fd7 s GLU 29 CO 0.03 0.06 -0.23 0.45 -0.54 0.00 0.00 175.26 175.04 1fd7 s SER 30 N 0.39 2.70 -0.04 -1.70 0.15 -0.67 -4.98 113.70 109.55 1fd7 s SER 30 Ca -0.06 -0.50 0.07 0.00 0.70 0.00 0.00 55.95 56.16 1fd7 s SER 30 Cb -0.11 -0.25 0.15 0.00 -1.71 0.00 0.00 66.02 64.10 1fd7 s SER 30 CO 0.01 0.22 1.10 1.15 1.20 0.00 0.00 173.24 176.92 1fd7 n MET 31 N 2.05 2.60 -2.09 5.44 0.00 -1.26 -2.88 117.12 120.98 1fd7 n MET 31 Ca -0.17 -1.91 -0.39 0.00 0.00 0.00 0.00 57.70 55.23 1fd7 n MET 31 Cb 0.53 -1.21 -0.01 0.00 0.00 0.00 0.00 33.22 32.53 1fd7 n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1fd7 s ALA 32 N -1.53 3.25 0.18 3.17 0.00 -1.26 -4.86 121.76 120.71 1fd7 s ALA 32 Ca 0.13 1.20 -0.33 0.00 0.00 0.00 0.00 51.96 52.96 1fd7 s ALA 32 Cb 0.10 -3.47 -0.14 0.00 0.00 0.00 0.00 23.12 19.61 1fd7 s ALA 32 CO 0.04 -0.78 1.52 0.41 0.00 0.00 0.00 175.76 176.94 1fd7 n GLY 33 N 0.67 1.00 3.25 0.00 0.00 -1.26 -1.27 105.19 107.58 1fd7 n GLY 33 Ca 0.04 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1fd7 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fd7 n LYS 34 N 2.94 -0.04 -2.23 1.61 4.76 -1.26 -4.85 118.16 119.10 1fd7 n LYS 34 Ca 0.15 0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.51 1fd7 n LYS 34 Cb 0.29 -3.14 0.05 0.00 -1.84 0.00 0.00 35.03 30.39 1fd7 n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1fd7 n ARG 35 N -1.99 2.35 -2.55 1.97 5.12 -0.40 -4.98 116.66 116.19 1fd7 n ARG 35 Ca 0.00 -3.64 -0.41 0.00 -1.93 0.00 0.00 57.85 51.87 1fd7 n ARG 35 Cb 0.01 -1.75 -0.03 0.00 -1.16 0.00 0.00 32.46 29.53 1fd7 n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1fd7 s GLU 36 N -3.37 3.58 0.31 5.56 8.01 -1.20 -4.31 118.70 127.27 1fd7 s GLU 36 Ca 0.38 -1.13 -0.11 0.00 0.01 0.00 0.00 54.97 54.13 1fd7 s GLU 36 Cb 0.37 -5.36 0.01 0.00 -4.31 0.00 0.00 34.13 24.84 1fd7 s GLU 36 CO -0.02 -2.24 0.56 0.00 0.01 0.00 0.00 175.26 173.57 1fd7 s MET 37 N 5.01 1.82 -0.01 1.61 0.23 -1.14 -4.09 119.30 122.74 1fd7 s MET 37 Ca 0.47 -1.43 0.04 0.00 -1.03 0.00 0.00 55.69 53.74 1fd7 s MET 37 Cb -0.00 0.50 -0.01 0.00 -1.53 0.00 0.00 34.83 33.80 1fd7 s MET 37 CO -0.09 -0.79 -0.11 0.08 -2.03 0.00 0.00 175.02 172.08 1fd7 s VAL 38 N -3.37 0.91 -0.07 5.16 1.01 -1.21 -1.67 120.40 121.17 1fd7 s VAL 38 Ca 0.23 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1fd7 s VAL 38 Cb -0.02 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1fd7 s VAL 38 CO 0.13 0.24 -0.17 -0.63 0.00 0.00 0.00 175.10 174.66 1fd7 s ILE 39 N -0.30 1.51 0.12 2.22 1.01 0.22 -0.92 121.20 125.06 1fd7 s ILE 39 Ca 0.04 -0.71 0.10 0.00 0.00 0.00 0.00 60.65 60.08 1fd7 s ILE 39 Cb -0.05 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 1fd7 s ILE 39 CO -0.00 0.44 -0.22 0.27 0.00 0.00 0.00 174.94 175.42 1fd7 s ILE 40 N 0.40 2.55 0.19 2.92 -4.36 0.64 -1.16 121.20 122.38 1fd7 s ILE 40 Ca -0.13 -1.62 0.05 0.00 -0.26 0.00 0.00 60.65 58.69 1fd7 s ILE 40 Cb -0.15 -2.15 -0.05 0.00 1.25 0.00 0.00 42.46 41.36 1fd7 s ILE 40 CO 0.05 0.10 -0.09 0.42 0.24 0.00 0.00 174.94 175.66 1fd7 s THR 41 N -1.10 1.33 0.31 8.37 -4.23 -0.23 -1.09 115.64 119.00 1fd7 s THR 41 Ca 0.16 -2.10 0.11 0.00 -1.18 0.00 0.00 61.69 58.67 1fd7 s THR 41 Cb -0.10 -2.03 -0.06 0.00 1.34 0.00 0.00 72.50 71.65 1fd7 s THR 41 CO 0.08 -0.60 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.06 1fd7 s PHE 42 N -3.23 2.31 -0.36 3.99 0.08 -0.59 -0.29 117.98 119.90 1fd7 s PHE 42 Ca 0.21 -0.43 0.26 0.00 0.12 0.00 0.00 56.93 57.10 1fd7 s PHE 42 Cb 0.02 -1.17 1.04 0.00 -0.57 0.00 0.00 43.02 42.35 1fd7 s PHE 42 CO 0.04 0.63 1.79 1.57 -0.10 0.00 0.00 175.22 179.15 1fd7 h LYS 43 N 2.17 0.00 -0.20 0.44 2.10 -1.89 -0.29 116.57 118.90 1fd7 h LYS 43 Ca -0.41 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.30 1fd7 h LYS 43 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 1fd7 h LYS 43 CO 0.65 0.00 0.22 0.66 -2.00 0.00 0.00 179.45 178.98 1fd7 h SER 44 N 0.00 0.00 0.00 7.07 4.64 -1.98 -3.45 113.55 119.83 1fd7 h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fd7 h SER 44 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1fd7 h SER 44 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1fd7 n GLY 45 N -1.42 0.42 3.75 -0.77 0.00 -0.12 -5.07 105.19 101.98 1fd7 n GLY 45 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1fd7 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fd7 s GLU 46 N -0.81 4.56 -0.05 1.61 2.02 -1.25 -4.83 118.70 119.95 1fd7 s GLU 46 Ca 0.00 1.83 0.04 0.00 0.02 0.00 0.00 54.97 56.86 1fd7 s GLU 46 Cb 0.00 -3.22 -0.00 0.00 0.10 0.00 0.00 34.13 31.00 1fd7 s GLU 46 CO 0.00 0.04 -0.18 0.99 0.02 0.00 0.00 175.26 176.14 1fd7 s THR 47 N -0.51 1.48 0.12 3.63 2.01 -1.26 -1.54 115.64 119.57 1fd7 s THR 47 Ca 0.49 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.79 1fd7 s THR 47 Cb -0.32 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 1fd7 s THR 47 CO 0.38 0.42 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.29 1fd7 s PHE 48 N 0.07 1.10 0.17 4.92 0.08 -0.25 -3.99 117.98 120.08 1fd7 s PHE 48 Ca -0.05 -0.78 0.08 0.00 0.12 0.00 0.00 56.93 56.30 1fd7 s PHE 48 Cb -0.12 -0.59 -0.04 0.00 -0.57 0.00 0.00 43.02 41.70 1fd7 s PHE 48 CO 0.03 -0.01 -0.16 1.14 -0.10 0.00 0.00 175.22 176.12 1fd7 s GLN 49 N -3.52 1.24 -0.32 0.44 -2.07 -0.50 -0.26 119.66 114.68 1fd7 s GLN 49 Ca 0.12 -1.45 -0.10 0.00 -1.82 0.00 0.00 55.36 52.11 1fd7 s GLN 49 Cb 0.02 -1.15 -0.01 0.00 -1.09 0.00 0.00 33.01 30.78 1fd7 s GLN 49 CO -0.01 0.21 0.16 0.08 -1.32 0.00 0.00 175.29 174.42 1fd7 s VAL 50 N -2.46 4.67 0.93 3.63 1.01 -0.10 -0.87 120.40 127.22 1fd7 s VAL 50 Ca 0.17 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 61.63 1fd7 s VAL 50 Cb -0.03 -3.39 0.16 0.00 0.00 0.00 0.00 36.38 33.11 1fd7 s VAL 50 CO 0.06 0.04 1.14 -1.61 0.00 0.00 0.00 175.10 174.73 1fd7 s GLU 51 N 1.62 0.88 0.21 2.72 2.02 -1.26 -3.30 118.70 121.59 1fd7 s GLU 51 Ca 0.05 1.52 -0.30 0.00 0.02 0.00 0.00 54.97 56.25 1fd7 s GLU 51 Cb -0.17 -1.71 -0.10 0.00 0.10 0.00 0.00 34.13 32.25 1fd7 s GLU 51 CO 0.07 -2.72 1.45 0.08 0.02 0.00 0.00 175.26 174.16 1fd7 s VAL 52 N -2.63 2.76 0.30 2.63 1.01 -1.26 -4.86 120.40 118.36 1fd7 s VAL 52 Ca 0.67 0.61 -0.29 0.00 0.00 0.00 0.00 61.98 62.96 1fd7 s VAL 52 Cb -0.23 -3.39 -0.12 0.00 0.00 0.00 0.00 36.38 32.64 1fd7 s VAL 52 CO 0.58 0.08 1.40 -2.65 0.00 0.00 0.00 175.10 174.51 1fd7 n PRO 53 N 2.86 2.24 -0.43 2.72 -0.02 -1.26 -4.93 135.00 136.18 1fd7 n PRO 53 Ca 0.09 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1fd7 n PRO 53 Cb 0.40 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1fd7 n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fd7 n GLY 54 N 1.41 2.10 0.21 -1.23 0.00 -1.26 -5.03 105.19 101.40 1fd7 n GLY 54 Ca 0.07 -0.80 0.15 0.00 0.00 0.00 0.00 46.02 45.44 1fd7 n GLY 54 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1fd7 h SER 55 N 0.00 0.00 0.72 1.61 0.02 -2.02 -1.14 113.55 112.74 1fd7 h SER 55 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1fd7 h SER 55 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1fd7 h SER 55 CO 0.00 0.00 -0.24 0.00 -1.14 0.00 0.00 176.83 175.45 1fd7 n GLN 56 N -2.50 0.04 -4.07 3.45 0.00 -1.26 -4.86 117.38 108.17 1fd7 n GLN 56 Ca -0.02 -0.02 -0.36 0.00 0.00 0.00 0.00 57.00 56.61 1fd7 n GLN 56 Cb 0.07 -1.50 -0.07 0.00 0.00 0.00 0.00 30.24 28.74 1fd7 n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1fd7 s HIS 57 N -2.97 3.41 0.50 2.61 3.76 -0.43 -5.12 115.29 117.06 1fd7 s HIS 57 Ca 0.13 0.37 -0.01 0.00 -0.15 0.00 0.00 55.06 55.41 1fd7 s HIS 57 Cb 0.18 -1.86 0.01 0.00 1.11 0.00 0.00 32.58 32.02 1fd7 s HIS 57 CO 0.61 0.62 0.74 0.96 -0.85 0.00 0.00 174.74 176.82 1fd7 s ILE 58 N -1.01 3.67 0.26 0.60 -4.36 -1.26 -4.87 121.20 114.23 1fd7 s ILE 58 Ca 0.16 -0.41 -0.01 0.00 -0.26 0.00 0.00 60.65 60.12 1fd7 s ILE 58 Cb -0.12 -3.38 0.24 0.00 1.25 0.00 0.00 42.46 40.45 1fd7 s ILE 58 CO 0.05 -0.30 1.79 -0.78 0.24 0.00 0.00 174.94 175.94 1fd7 h ASP 59 N 0.20 0.66 0.38 4.36 3.58 -2.00 -1.44 116.42 122.16 1fd7 h ASP 59 Ca -0.45 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1fd7 h ASP 59 Cb 1.26 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1fd7 h ASP 59 CO 0.57 0.32 0.00 0.77 -2.88 0.00 0.00 179.24 178.02 1fd7 h SER 60 N 0.75 0.00 1.48 2.28 4.64 -2.05 -1.94 113.55 118.71 1fd7 h SER 60 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1fd7 h SER 60 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1fd7 h SER 60 CO -0.31 0.00 -0.23 1.56 -0.87 0.00 0.00 176.83 176.97 1fd7 h GLN 61 N 0.00 0.00 -0.06 4.77 4.20 -1.64 -3.36 115.11 119.02 1fd7 h GLN 61 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1fd7 h GLN 61 Cb 0.19 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1fd7 h GLN 61 CO 0.00 0.00 0.00 0.87 -0.67 0.00 0.00 178.83 179.03 1fd7 h LYS 62 N 0.00 0.03 -0.07 1.46 1.79 -1.40 0.42 116.57 118.79 1fd7 h LYS 62 Ca 0.00 -0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 1fd7 h LYS 62 Cb 0.86 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.49 1fd7 h LYS 62 CO 0.00 0.02 -0.36 0.87 -1.08 0.00 0.00 179.45 178.89 1fd7 h LYS 63 N 0.03 0.15 -0.22 3.15 1.57 -1.76 -2.82 116.57 116.66 1fd7 h LYS 63 Ca 0.03 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 1fd7 h LYS 63 Cb 0.03 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1fd7 h LYS 63 CO -0.04 0.50 -0.35 0.00 -0.57 0.00 0.00 179.45 178.98 1fd7 h ALA 64 N 1.50 0.98 -0.48 3.86 0.00 -1.54 -0.40 119.26 123.17 1fd7 h ALA 64 Ca 0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1fd7 h ALA 64 Cb 0.71 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1fd7 h ALA 64 CO 0.05 0.61 0.23 0.82 0.00 0.00 0.00 179.25 180.96 1fd7 h ILE 65 N 0.41 1.19 -0.30 0.00 2.04 0.03 0.14 117.51 121.01 1fd7 h ILE 65 Ca 0.04 -0.54 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 1fd7 h ILE 65 Cb 0.81 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1fd7 h ILE 65 CO 0.07 0.21 -0.09 -0.33 0.00 0.00 0.00 178.15 178.01 1fd7 h GLU 66 N 0.64 0.50 -0.42 2.37 4.39 -1.21 -2.11 114.58 118.74 1fd7 h GLU 66 Ca 0.17 -0.13 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 1fd7 h GLU 66 Cb 0.12 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1fd7 h GLU 66 CO -0.02 0.60 -0.11 -0.09 -1.16 0.00 0.00 179.01 178.22 1fd7 h ARG 67 N 0.47 0.82 -0.91 2.33 2.43 -0.53 -2.09 114.38 116.89 1fd7 h ARG 67 Ca 0.09 -0.32 0.02 0.00 -0.81 0.00 0.00 59.98 58.96 1fd7 h ARG 67 Cb 0.45 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.90 1fd7 h ARG 67 CO 0.02 0.94 0.60 1.98 -1.51 0.00 0.00 179.97 182.01 1fd7 h MET 68 N 0.64 1.17 -0.52 0.20 4.05 -0.49 -0.24 114.93 119.73 1fd7 h MET 68 Ca 0.10 -0.07 -0.05 0.00 -0.28 0.00 0.00 59.70 59.40 1fd7 h MET 68 Cb 0.65 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 1fd7 h MET 68 CO 0.04 0.77 0.13 0.87 0.23 0.00 0.00 176.91 178.95 1fd7 h LYS 69 N 1.20 0.84 -0.51 0.39 1.57 -1.28 -1.10 116.57 117.69 1fd7 h LYS 69 Ca 0.34 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1fd7 h LYS 69 Cb -0.09 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 1fd7 h LYS 69 CO -0.09 0.80 0.33 -0.44 -0.57 0.00 0.00 179.45 179.49 1fd7 h ASP 70 N 0.73 0.59 -0.55 0.86 3.32 -0.61 -2.45 116.42 118.33 1fd7 h ASP 70 Ca 0.16 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 1fd7 h ASP 70 Cb 0.34 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1fd7 h ASP 70 CO 0.00 0.44 0.16 0.74 -1.72 0.00 0.00 179.24 178.87 1fd7 h THR 71 N 0.69 1.23 -0.65 0.35 2.02 -0.62 -1.98 112.91 113.95 1fd7 h THR 71 Ca 0.19 -0.84 -0.07 0.00 0.77 0.00 0.00 66.41 66.46 1fd7 h THR 71 Cb -0.06 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 1fd7 h THR 71 CO -0.04 0.32 0.15 -0.07 0.37 0.00 0.00 175.52 176.25 1fd7 h LEU 72 N 0.88 0.99 0.26 2.58 3.38 -1.09 0.10 115.31 122.40 1fd7 h LEU 72 Ca 0.19 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1fd7 h LEU 72 Cb 0.30 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1fd7 h LEU 72 CO -0.00 0.97 -0.13 -0.09 0.09 0.00 0.00 178.44 179.28 1fd7 h ARG 73 N 0.96 -0.34 -0.12 1.13 2.43 -1.26 -0.19 114.38 117.00 1fd7 h ARG 73 Ca 0.20 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.33 1fd7 h ARG 73 Cb 0.37 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1fd7 h ARG 73 CO 0.00 -0.04 -0.23 0.97 -1.51 0.00 0.00 179.97 179.16 1fd7 h ILE 74 N -0.65 1.22 -0.60 1.20 2.10 -1.23 -0.48 117.51 119.07 1fd7 h ILE 74 Ca -0.04 -1.03 -0.09 0.00 1.08 0.00 0.00 64.86 64.78 1fd7 h ILE 74 Cb 0.46 1.39 -0.02 0.00 -1.09 0.00 0.00 36.82 37.56 1fd7 h ILE 74 CO 0.06 0.31 0.03 0.74 -1.08 0.00 0.00 178.15 178.21 1fd7 h THR 75 N 0.19 1.26 0.37 2.19 2.02 -0.89 -2.11 112.91 115.94 1fd7 h THR 75 Ca 0.03 -1.10 -0.02 0.00 0.77 0.00 0.00 66.41 66.10 1fd7 h THR 75 Cb 0.52 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1fd7 h THR 75 CO 0.04 0.40 -0.18 0.22 0.37 0.00 0.00 175.52 176.37 1fd7 h TYR 76 N 0.95 -0.46 -0.01 3.16 3.20 -0.50 -1.65 116.97 121.66 1fd7 h TYR 76 Ca 0.18 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 1fd7 h TYR 76 Cb 0.51 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1fd7 h TYR 76 CO 0.03 -0.23 -0.29 -0.07 -1.64 0.00 0.00 178.16 175.96 1fd7 h LEU 77 N -0.59 0.02 0.00 2.82 3.38 -0.94 -2.71 115.31 117.29 1fd7 h LEU 77 Ca -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1fd7 h LEU 77 Cb 0.43 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1fd7 h LEU 77 CO 0.08 0.32 -0.57 0.35 0.09 0.00 0.00 178.44 178.71 1fd7 n THR 78 N -4.18 0.05 -1.98 0.22 -2.24 -0.81 -4.96 114.28 100.37 1fd7 n THR 78 Ca -0.02 -0.04 -0.09 0.00 -2.27 0.00 0.00 64.05 61.62 1fd7 n THR 78 Cb 0.35 0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 68.80 1fd7 n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1fd7 n GLU 79 N -1.59 -0.71 -2.34 -0.78 1.02 -0.73 -4.96 120.64 110.55 1fd7 n GLU 79 Ca 0.05 0.52 -0.42 0.00 -0.02 0.00 0.00 57.16 57.30 1fd7 n GLU 79 Cb 0.35 -4.51 -0.03 0.00 -0.02 0.00 0.00 31.44 27.23 1fd7 n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1fd7 s THR 80 N -2.43 3.68 0.11 2.62 2.01 -0.70 -4.75 115.64 116.19 1fd7 s THR 80 Ca 0.00 1.27 -0.30 0.00 0.31 0.00 0.00 61.69 62.97 1fd7 s THR 80 Cb 0.00 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.63 1fd7 s THR 80 CO 0.00 0.13 1.16 -0.54 -0.69 0.00 0.00 174.62 174.68 1fd7 s LYS 81 N 0.66 4.50 0.05 4.92 1.02 -1.26 -4.36 119.74 125.27 1fd7 s LYS 81 Ca 0.58 1.75 -0.21 0.00 0.02 0.00 0.00 55.97 58.12 1fd7 s LYS 81 Cb -0.33 -3.31 -0.06 0.00 -0.52 0.00 0.00 37.83 33.61 1fd7 s LYS 81 CO 0.32 -0.12 0.63 0.42 -0.92 0.00 0.00 175.35 175.68 1fd7 s ILE 82 N 0.48 4.75 0.00 2.17 1.01 0.07 -4.27 121.20 125.40 1fd7 s ILE 82 Ca 0.55 1.34 0.00 0.00 0.00 0.00 0.00 60.65 62.53 1fd7 s ILE 82 Cb -0.30 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.21 1fd7 s ILE 82 CO 0.32 0.48 0.00 -0.67 0.00 0.00 0.00 174.94 175.07 1fd7 n ASP 83 N 2.18 0.00 -4.32 3.58 2.03 0.39 -0.81 116.55 119.60 1fd7 n ASP 83 Ca -0.08 0.04 -0.21 0.00 0.52 0.00 0.00 54.79 55.06 1fd7 n ASP 83 Cb 0.50 -0.04 -0.11 0.00 -0.72 0.00 0.00 41.12 40.75 1fd7 n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1fd7 s LYS 84 N -0.08 1.23 -0.05 -0.67 1.02 -1.17 -0.15 119.74 119.88 1fd7 s LYS 84 Ca 0.00 -1.39 0.06 0.00 0.02 0.00 0.00 55.97 54.66 1fd7 s LYS 84 Cb 0.00 -1.25 -0.01 0.00 -0.52 0.00 0.00 37.83 36.04 1fd7 s LYS 84 CO 0.00 0.25 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.94 1fd7 s LEU 85 N -2.65 2.03 -0.25 3.17 1.43 -0.15 -1.28 118.68 120.98 1fd7 s LEU 85 Ca 0.15 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 1fd7 s LEU 85 Cb -0.05 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 1fd7 s LEU 85 CO 0.06 0.24 0.27 0.00 0.23 0.00 0.00 176.35 177.15 1fd7 s VAL 87 N 1.56 1.31 -0.01 0.00 -7.23 -0.31 0.02 120.40 115.74 1fd7 s VAL 87 Ca 0.11 -1.62 -0.27 0.00 -1.81 0.00 0.00 61.98 58.39 1fd7 s VAL 87 Cb -0.15 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 1fd7 s VAL 87 CO 0.08 -0.36 0.85 0.26 -0.31 0.00 0.00 175.10 175.63 1fd7 s TRP 88 N -1.90 3.65 -1.36 2.82 0.51 0.13 -1.87 118.94 120.93 1fd7 s TRP 88 Ca 0.06 1.52 0.19 0.00 -2.12 0.00 0.00 56.10 55.76 1fd7 s TRP 88 Cb -0.06 -2.96 0.68 0.00 -0.81 0.00 0.00 33.47 30.31 1fd7 s TRP 88 CO 0.03 0.08 1.59 0.27 -0.51 0.00 0.00 176.95 178.41 1fd7 n ASN 89 N 3.61 4.43 -1.89 2.95 0.23 -0.16 -1.66 115.26 122.77 1fd7 n ASN 89 Ca 0.02 -2.30 -0.06 0.00 -0.53 0.00 0.00 54.58 51.71 1fd7 n ASN 89 Cb 0.51 -0.54 0.29 0.00 -2.08 0.00 0.00 39.78 37.96 1fd7 n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1fd7 n ASN 90 N 1.23 4.57 -4.02 0.53 6.94 -1.26 -4.90 115.26 118.36 1fd7 n ASN 90 Ca 0.25 -3.27 -0.10 0.00 -0.02 0.00 0.00 54.58 51.43 1fd7 n ASN 90 Cb 0.79 -0.73 -0.11 0.00 -2.36 0.00 0.00 39.78 37.37 1fd7 n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1fd7 s LYS 91 N -3.03 0.41 -0.12 -3.83 -0.14 -1.26 -5.08 119.74 106.69 1fd7 s LYS 91 Ca 0.54 -0.72 -0.00 0.00 -1.36 0.00 0.00 55.97 54.43 1fd7 s LYS 91 Cb 0.44 -0.01 0.02 0.00 -1.68 0.00 0.00 37.83 36.60 1fd7 s LYS 91 CO 0.12 -0.02 -0.08 0.99 -0.76 0.00 0.00 175.35 175.59 1fd7 s THR 92 N -1.67 1.09 0.86 2.17 2.01 -1.26 -2.77 115.64 116.08 1fd7 s THR 92 Ca -0.12 -0.33 -0.11 0.00 0.31 0.00 0.00 61.69 61.44 1fd7 s THR 92 Cb -0.08 -1.10 0.11 0.00 0.01 0.00 0.00 72.50 71.44 1fd7 s THR 92 CO -0.01 0.38 1.09 -2.16 -0.69 0.00 0.00 174.62 173.23 1fd7 s PRO 93 N 1.68 1.50 0.52 4.92 0.05 -1.26 -5.06 135.00 137.35 1fd7 s PRO 93 Ca 0.05 0.99 -0.21 0.00 0.05 0.00 0.00 61.00 61.89 1fd7 s PRO 93 Cb -0.13 -1.82 -0.08 0.00 0.05 0.00 0.00 34.50 32.52 1fd7 s PRO 93 CO -0.09 -2.12 0.86 0.09 0.05 0.00 0.00 177.00 175.79 1fd7 n ASN 94 N -3.82 0.44 -4.50 6.66 5.03 -1.11 -4.50 115.26 113.44 1fd7 n ASN 94 Ca 0.08 0.87 -0.34 0.00 0.87 0.00 0.00 54.58 56.06 1fd7 n ASN 94 Cb 0.54 -1.31 -0.12 0.00 -1.02 0.00 0.00 39.78 37.87 1fd7 n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1fd7 s SER 95 N -1.04 4.99 0.02 6.41 0.15 -0.67 -1.40 113.70 122.16 1fd7 s SER 95 Ca 0.69 -0.12 -0.30 0.00 0.70 0.00 0.00 55.95 56.92 1fd7 s SER 95 Cb -0.48 -1.84 -0.06 0.00 -1.71 0.00 0.00 66.02 61.93 1fd7 s SER 95 CO 0.53 0.12 1.38 -0.63 1.20 0.00 0.00 173.24 175.84 1fd7 s ILE 96 N 0.65 3.68 -0.19 6.45 1.01 -0.05 0.22 121.20 132.96 1fd7 s ILE 96 Ca -0.00 1.11 0.08 0.00 0.00 0.00 0.00 60.65 61.84 1fd7 s ILE 96 Cb -0.14 -3.71 -0.18 0.00 0.01 0.00 0.00 42.46 38.44 1fd7 s ILE 96 CO 0.02 0.02 -0.07 0.00 0.00 0.00 0.00 174.94 174.91 1fd7 n ALA 97 N 4.98 1.55 -3.30 9.38 0.00 0.10 -4.87 120.51 128.36 1fd7 n ALA 97 Ca 0.12 -1.03 -0.13 0.00 0.00 0.00 0.00 53.44 52.41 1fd7 n ALA 97 Cb 0.44 -0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.79 1fd7 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fd7 s ALA 98 N -2.43 -1.37 0.04 0.00 0.00 -0.87 -4.97 121.76 112.16 1fd7 s ALA 98 Ca -0.19 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.26 1fd7 s ALA 98 Cb 0.06 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 1fd7 s ALA 98 CO 0.60 -0.62 -0.06 -1.50 0.00 0.00 0.00 175.76 174.18 1fd7 s ILE 99 N -3.09 0.40 0.08 0.00 2.07 -1.26 -0.28 121.20 119.12 1fd7 s ILE 99 Ca -0.02 -1.04 0.03 0.00 -1.41 0.00 0.00 60.65 58.21 1fd7 s ILE 99 Cb -0.00 -0.52 -0.03 0.00 0.13 0.00 0.00 42.46 42.03 1fd7 s ILE 99 CO -0.07 -0.43 -0.09 -0.94 -1.91 0.00 0.00 174.94 171.50 1fd7 s SER 100 N -1.57 1.23 -0.01 4.50 1.04 -0.40 -4.99 113.70 113.49 1fd7 s SER 100 Ca -0.11 -0.74 -0.03 0.00 0.48 0.00 0.00 55.95 55.55 1fd7 s SER 100 Cb -0.10 0.03 -0.00 0.00 0.10 0.00 0.00 66.02 66.05 1fd7 s SER 100 CO -0.00 -0.26 0.05 -0.04 0.98 0.00 0.00 173.24 173.97 1fd7 s MET 101 N -2.48 0.22 -0.01 4.02 -1.94 -1.26 -0.46 119.30 117.39 1fd7 s MET 101 Ca 0.01 -0.20 0.01 0.00 -1.71 0.00 0.00 55.69 53.80 1fd7 s MET 101 Cb -0.04 0.09 0.00 0.00 2.01 0.00 0.00 34.83 36.89 1fd7 s MET 101 CO -0.00 -0.04 -0.02 0.21 -0.01 0.00 0.00 175.02 175.16 1fd7 s LYS 102 N -0.66 0.21 0.00 2.03 2.20 -1.26 -4.87 119.74 117.38 1fd7 s LYS 102 Ca -0.07 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.49 1fd7 s LYS 102 Cb -0.05 -0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.03 1fd7 s LYS 102 CO 0.00 0.01 0.00 0.09 -0.36 0.00 0.00 175.35 175.09