#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fd7 s PRO 2 N 0.00 3.37 0.00 0.00 0.04 -1.26 -4.95 135.00 132.20 1fd7 s PRO 2 Ca 0.00 1.97 0.13 0.00 0.04 0.00 0.00 61.00 63.15 1fd7 s PRO 2 Cb 0.00 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 1fd7 s PRO 2 CO 0.00 -0.92 0.71 1.04 0.04 0.00 0.00 177.00 177.86 1fd7 n GLN 3 N -0.89 2.08 -3.89 4.56 6.02 -1.26 -4.95 117.38 119.04 1fd7 n GLN 3 Ca 0.10 -0.54 -0.09 0.00 -0.01 0.00 0.00 57.00 56.46 1fd7 n GLN 3 Cb 0.47 -1.17 -0.07 0.00 1.02 0.00 0.00 30.24 30.49 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 -1.82 0.12 0.33 5.09 -4.23 -1.26 -5.05 115.64 108.83 1fd7 s THR 4 Ca 0.10 -1.26 0.06 0.00 -1.18 0.00 0.00 61.69 59.40 1fd7 s THR 4 Cb 0.11 -1.49 0.12 0.00 1.34 0.00 0.00 72.50 72.58 1fd7 s THR 4 CO 0.39 -0.56 1.82 -0.29 -0.54 0.00 0.00 174.62 175.44 1fd7 h ILE 5 N 2.71 1.22 -0.63 2.99 2.10 -1.95 -1.87 117.51 122.08 1fd7 h ILE 5 Ca -0.33 -1.01 -0.10 0.00 1.08 0.00 0.00 64.86 64.50 1fd7 h ILE 5 Cb 1.21 1.23 -0.02 0.00 -1.09 0.00 0.00 36.82 38.15 1fd7 h ILE 5 CO 0.54 0.32 0.02 0.74 -1.08 0.00 0.00 178.15 178.69 1fd7 h THR 6 N 0.35 1.27 -0.44 2.19 2.02 -1.99 0.11 112.91 116.41 1fd7 h THR 6 Ca 0.06 -1.14 -0.04 0.00 0.77 0.00 0.00 66.41 66.06 1fd7 h THR 6 Cb 0.50 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1fd7 h THR 6 CO 0.03 0.42 0.10 -0.08 0.37 0.00 0.00 175.52 176.36 1fd7 h GLU 7 N 1.00 0.72 0.10 6.66 4.81 -1.88 -2.13 114.58 123.86 1fd7 h GLU 7 Ca 0.18 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1fd7 h GLU 7 Cb 0.55 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1fd7 h GLU 7 CO 0.03 0.72 -0.08 1.25 -0.73 0.00 0.00 179.01 180.20 1fd7 h LEU 8 N 0.59 -0.22 -1.13 1.64 6.46 -1.23 -3.00 115.31 118.41 1fd7 h LEU 8 Ca 0.14 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.93 1fd7 h LEU 8 Cb 0.33 0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 40.29 1fd7 h LEU 8 CO 0.00 -0.13 0.59 0.00 -0.62 0.00 0.00 178.44 178.28 1fd7 n SER 10 N -4.41 0.44 0.00 0.00 7.64 -0.81 -2.07 113.62 114.41 1fd7 n SER 10 Ca 0.11 0.65 0.14 0.00 1.01 0.00 0.00 58.87 60.77 1fd7 n SER 10 Cb 0.04 -0.73 0.66 0.00 -1.01 0.00 0.00 64.21 63.18 1fd7 n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1fd7 n GLU 11 N -2.03 0.19 -4.32 1.43 1.02 -0.65 -4.84 120.64 111.44 1fd7 n GLU 11 Ca 0.01 0.01 -0.28 0.00 -0.02 0.00 0.00 57.16 56.88 1fd7 n GLU 11 Cb 0.12 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.94 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 -2.80 2.53 0.53 -0.32 2.02 -0.88 -5.14 117.35 113.29 1fd7 s TYR 12 Ca 0.20 -0.27 -0.10 0.00 -0.37 0.00 0.00 57.07 56.53 1fd7 s TYR 12 Cb 0.19 -1.27 -0.05 0.00 -0.40 0.00 0.00 41.96 40.42 1fd7 s TYR 12 CO 0.48 0.47 0.91 1.03 -1.57 0.00 0.00 175.55 176.87 1fd7 s ARG 13 N -2.55 3.68 -1.55 -0.62 0.52 -1.26 -4.25 118.95 112.90 1fd7 s ARG 13 Ca 0.22 0.58 -0.05 0.00 -0.52 0.00 0.00 55.73 55.96 1fd7 s ARG 13 Cb -0.09 -2.23 0.01 0.00 0.52 0.00 0.00 34.95 33.16 1fd7 s ARG 13 CO 0.12 -0.32 0.61 0.09 0.02 0.00 0.00 175.30 175.82 1fd7 n ASN 14 N -2.15 -6.14 -4.29 0.23 4.13 -1.26 -4.95 115.26 100.82 1fd7 n ASN 14 Ca 0.04 -0.29 -0.20 0.00 1.68 0.00 0.00 54.58 55.81 1fd7 n ASN 14 Cb 0.54 -4.95 -0.11 0.00 -1.54 0.00 0.00 39.78 33.72 1fd7 n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1fd7 s THR 15 N -3.18 1.60 0.08 3.41 -4.23 -1.26 -0.14 115.64 111.91 1fd7 s THR 15 Ca 0.30 -1.84 -0.11 0.00 -1.18 0.00 0.00 61.69 58.86 1fd7 s THR 15 Cb -0.13 -1.72 0.01 0.00 1.34 0.00 0.00 72.50 72.00 1fd7 s THR 15 CO 0.37 -0.37 0.25 0.00 -0.54 0.00 0.00 174.62 174.34 1fd7 s GLN 16 N -2.78 0.86 -0.04 3.99 -2.07 -0.83 -4.89 119.66 113.91 1fd7 s GLN 16 Ca 0.13 -0.78 -0.18 0.00 -1.82 0.00 0.00 55.36 52.71 1fd7 s GLN 16 Cb -0.05 0.36 -0.05 0.00 -1.09 0.00 0.00 33.01 32.18 1fd7 s GLN 16 CO 0.05 -0.29 0.50 0.42 -1.32 0.00 0.00 175.29 174.65 1fd7 s ILE 17 N -3.44 5.03 -0.25 3.63 -1.09 -1.26 -1.43 121.20 122.39 1fd7 s ILE 17 Ca 0.01 1.02 -0.04 0.00 -2.23 0.00 0.00 60.65 59.41 1fd7 s ILE 17 Cb 0.03 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1fd7 s ILE 17 CO -0.09 0.44 -0.01 -0.31 -1.23 0.00 0.00 174.94 173.74 1fd7 s TYR 18 N -0.21 3.04 -0.63 3.97 1.51 0.15 -4.96 117.35 120.22 1fd7 s TYR 18 Ca 0.27 -1.04 -0.26 0.00 -1.01 0.00 0.00 57.07 55.02 1fd7 s TYR 18 Cb -0.17 -2.14 0.04 0.00 -0.11 0.00 0.00 41.96 39.58 1fd7 s TYR 18 CO 0.14 -0.58 1.14 0.99 -1.11 0.00 0.00 175.55 176.13 1fd7 s THR 19 N 1.46 4.04 -0.09 -0.71 2.01 -1.26 -1.19 115.64 119.89 1fd7 s THR 19 Ca 0.04 0.47 -0.11 0.00 0.31 0.00 0.00 61.69 62.40 1fd7 s THR 19 Cb -0.16 -4.74 -0.28 0.00 0.01 0.00 0.00 72.50 67.33 1fd7 s THR 19 CO -0.02 -1.47 0.51 0.40 -0.69 0.00 0.00 174.62 173.36 1fd7 h ILE 20 N 6.07 0.83 -6.67 1.82 1.08 -0.78 -3.49 117.51 116.38 1fd7 h ILE 20 Ca -0.27 -2.41 -0.38 0.00 -0.39 0.00 0.00 64.86 61.41 1fd7 h ILE 20 Cb 1.06 2.64 -0.01 0.00 -3.07 0.00 0.00 36.82 37.44 1fd7 h ILE 20 CO 1.20 0.82 -0.73 -3.20 -0.69 0.00 0.00 178.15 175.55 1fd7 n ASN 21 N -3.65 -3.03 -3.60 1.72 4.05 -0.29 -4.89 115.26 105.55 1fd7 n ASN 21 Ca -0.28 -0.79 -0.03 0.00 0.45 0.00 0.00 54.58 53.93 1fd7 n ASN 21 Cb 1.01 -1.08 -0.02 0.00 1.23 0.00 0.00 39.78 40.92 1fd7 n ASN 21 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1fd7 s ASP 22 N -3.33 -0.15 0.68 1.20 2.15 -0.90 -4.93 116.67 111.39 1fd7 s ASP 22 Ca 0.17 -0.06 -0.08 0.00 0.43 0.00 0.00 52.55 53.01 1fd7 s ASP 22 Cb -0.10 0.20 0.04 0.00 -0.30 0.00 0.00 42.92 42.77 1fd7 s ASP 22 CO 0.64 -0.34 1.01 -1.59 -0.17 0.00 0.00 175.17 174.72 1fd7 s LYS 23 N -2.56 2.48 0.22 4.34 -2.85 -1.26 -0.68 119.74 119.43 1fd7 s LYS 23 Ca 0.10 -0.03 -0.30 0.00 -1.00 0.00 0.00 55.97 54.74 1fd7 s LYS 23 Cb 0.01 -2.15 -0.09 0.00 -2.06 0.00 0.00 37.83 33.54 1fd7 s LYS 23 CO -0.04 -1.09 1.17 0.42 0.10 0.00 0.00 175.35 175.91 1fd7 s ILE 24 N -3.23 3.51 -0.17 3.79 1.01 -1.26 -4.74 121.20 120.12 1fd7 s ILE 24 Ca 0.58 1.34 -0.20 0.00 0.00 0.00 0.00 60.65 62.38 1fd7 s ILE 24 Cb -0.11 -3.86 -0.17 0.00 0.01 0.00 0.00 42.46 38.34 1fd7 s ILE 24 CO 0.46 0.25 0.29 0.25 0.00 0.00 0.00 174.94 176.19 1fd7 h LEU 25 N 4.78 0.00 -8.46 2.97 5.85 -1.12 -3.48 115.31 115.85 1fd7 h LEU 25 Ca -0.45 -0.52 -0.37 0.00 0.84 0.00 0.00 57.88 57.38 1fd7 h LEU 25 Cb 1.21 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 42.05 1fd7 h LEU 25 CO 0.72 1.15 -0.75 -0.94 -0.34 0.00 0.00 178.44 178.28 1fd7 s SER 26 N -6.39 1.61 -0.08 1.25 1.04 -1.13 -4.98 113.70 105.02 1fd7 s SER 26 Ca -0.21 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 55.48 1fd7 s SER 26 Cb 0.02 -0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.14 1fd7 s SER 26 CO 0.51 -0.18 -0.09 -0.47 0.98 0.00 0.00 173.24 173.99 1fd7 s TYR 27 N -1.97 1.34 -0.04 5.02 5.04 -1.26 -1.52 117.35 123.95 1fd7 s TYR 27 Ca 0.03 -0.56 0.03 0.00 -2.44 0.00 0.00 57.07 54.13 1fd7 s TYR 27 Cb -0.06 -1.07 0.00 0.00 0.35 0.00 0.00 41.96 41.18 1fd7 s TYR 27 CO 0.01 -0.37 -0.14 0.99 -1.34 0.00 0.00 175.55 174.71 1fd7 s THR 28 N 1.18 1.20 -0.03 4.34 2.01 -0.13 -5.01 115.64 119.20 1fd7 s THR 28 Ca -0.05 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.39 1fd7 s THR 28 Cb -0.14 -1.05 0.01 0.00 0.01 0.00 0.00 72.50 71.33 1fd7 s THR 28 CO -0.02 0.36 -0.05 -0.70 -0.69 0.00 0.00 174.62 173.51 1fd7 s GLU 29 N 0.24 0.73 0.00 4.92 2.12 -1.26 -1.22 118.70 124.23 1fd7 s GLU 29 Ca -0.07 -0.15 0.06 0.00 0.36 0.00 0.00 54.97 55.17 1fd7 s GLU 29 Cb -0.12 -0.72 -0.02 0.00 0.26 0.00 0.00 34.13 33.53 1fd7 s GLU 29 CO 0.02 0.00 -0.19 0.45 -0.54 0.00 0.00 175.26 175.00 1fd7 s SER 30 N 0.52 2.30 -0.00 -1.70 0.15 -0.48 -4.99 113.70 109.49 1fd7 s SER 30 Ca -0.07 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.21 1fd7 s SER 30 Cb -0.10 -0.23 0.09 0.00 -1.71 0.00 0.00 66.02 64.06 1fd7 s SER 30 CO 0.00 0.21 1.07 1.15 1.20 0.00 0.00 173.24 176.87 1fd7 n MET 31 N 2.37 2.93 -2.21 5.44 0.00 -1.26 -2.71 117.12 121.67 1fd7 n MET 31 Ca -0.16 -1.68 -0.41 0.00 0.00 0.00 0.00 57.70 55.46 1fd7 n MET 31 Cb 0.53 -1.09 -0.03 0.00 0.00 0.00 0.00 33.22 32.64 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 -1.06 3.48 0.20 3.17 0.00 -1.26 -4.86 121.76 121.43 1fd7 s ALA 32 Ca 0.07 1.17 -0.32 0.00 0.00 0.00 0.00 51.96 52.88 1fd7 s ALA 32 Cb 0.04 -3.44 -0.12 0.00 0.00 0.00 0.00 23.12 19.60 1fd7 s ALA 32 CO 0.04 -0.52 1.70 0.20 0.00 0.00 0.00 175.76 177.18 1fd7 s GLY 33 N -0.50 1.25 0.00 0.00 0.00 -1.26 -1.75 107.32 105.07 1fd7 s GLY 33 Ca 0.49 1.56 0.00 0.00 0.00 0.00 0.00 44.72 46.77 1fd7 s GLY 33 CO 0.49 2.85 0.00 0.28 0.00 0.00 0.00 173.10 176.72 1fd7 n LYS 34 N 3.99 0.00 -2.37 2.90 4.76 -1.26 -4.84 118.16 121.34 1fd7 n LYS 34 Ca 0.16 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.48 1fd7 n LYS 34 Cb 0.36 -2.15 0.04 0.00 -1.84 0.00 0.00 35.03 31.44 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 -2.00 2.63 -2.35 1.97 5.12 -0.72 -4.97 116.66 116.34 1fd7 n ARG 35 Ca 0.00 -3.81 -0.35 0.00 -1.93 0.00 0.00 57.85 51.76 1fd7 n ARG 35 Cb 0.00 -1.91 -0.04 0.00 -1.16 0.00 0.00 32.46 29.35 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 -3.63 3.18 0.32 5.56 8.01 -1.18 -4.33 118.70 126.63 1fd7 s GLU 36 Ca 0.39 -0.85 -0.08 0.00 0.01 0.00 0.00 54.97 54.44 1fd7 s GLU 36 Cb 0.37 -5.25 0.01 0.00 -4.31 0.00 0.00 34.13 24.94 1fd7 s GLU 36 CO -0.00 -2.71 0.53 0.00 0.01 0.00 0.00 175.26 173.08 1fd7 s MET 37 N 5.76 1.86 -0.02 1.61 0.23 -1.10 -4.10 119.30 123.53 1fd7 s MET 37 Ca 0.56 -1.55 0.04 0.00 -1.03 0.00 0.00 55.69 53.71 1fd7 s MET 37 Cb -0.02 0.48 -0.01 0.00 -1.53 0.00 0.00 34.83 33.75 1fd7 s MET 37 CO -0.05 -0.79 -0.14 0.08 -2.03 0.00 0.00 175.02 172.09 1fd7 s VAL 38 N -3.21 1.16 -0.09 5.16 1.01 -1.22 -1.38 120.40 121.81 1fd7 s VAL 38 Ca 0.26 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.67 1fd7 s VAL 38 Cb -0.01 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1fd7 s VAL 38 CO 0.15 0.34 -0.19 -0.63 0.00 0.00 0.00 175.10 174.77 1fd7 s ILE 39 N -0.10 2.52 0.09 2.22 1.01 -0.35 -1.47 121.20 125.11 1fd7 s ILE 39 Ca 0.01 -0.87 0.07 0.00 0.00 0.00 0.00 60.65 59.85 1fd7 s ILE 39 Cb -0.08 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 1fd7 s ILE 39 CO 0.01 0.55 -0.18 0.27 0.00 0.00 0.00 174.94 175.59 1fd7 s ILE 40 N 0.09 1.42 0.17 2.92 -4.36 -0.23 -0.96 121.20 120.26 1fd7 s ILE 40 Ca -0.09 -1.44 0.04 0.00 -0.26 0.00 0.00 60.65 58.90 1fd7 s ILE 40 Cb -0.15 -1.33 -0.05 0.00 1.25 0.00 0.00 42.46 42.18 1fd7 s ILE 40 CO 0.06 -0.15 -0.07 0.42 0.24 0.00 0.00 174.94 175.44 1fd7 s THR 41 N -1.25 1.08 0.20 8.37 -4.23 -0.57 -0.93 115.64 118.31 1fd7 s THR 41 Ca 0.03 -2.04 0.08 0.00 -1.18 0.00 0.00 61.69 58.57 1fd7 s THR 41 Cb -0.10 -1.99 -0.05 0.00 1.34 0.00 0.00 72.50 71.71 1fd7 s THR 41 CO 0.03 -0.63 -0.14 -0.36 -0.54 0.00 0.00 174.62 172.98 1fd7 s PHE 42 N -3.39 1.70 -0.26 3.99 0.08 -0.83 -0.48 117.98 118.81 1fd7 s PHE 42 Ca 0.20 -0.57 0.24 0.00 0.12 0.00 0.00 56.93 56.92 1fd7 s PHE 42 Cb 0.04 -0.79 1.17 0.00 -0.57 0.00 0.00 43.02 42.86 1fd7 s PHE 42 CO 0.03 0.35 1.74 1.57 -0.10 0.00 0.00 175.22 178.81 1fd7 h LYS 43 N 2.59 0.00 0.00 0.44 2.10 -1.89 0.61 116.57 120.42 1fd7 h LYS 43 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1fd7 h LYS 43 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1fd7 h LYS 43 CO 0.62 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.73 1fd7 h SER 44 N 0.00 0.00 0.00 7.07 4.64 -1.98 -3.46 113.55 119.82 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 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 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 -0.45 0.22 3.75 -0.77 0.00 0.21 -5.07 105.19 103.08 1fd7 n GLY 45 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.99 4.82 -0.03 1.61 0.41 -1.25 -4.87 118.70 118.39 1fd7 s GLU 46 Ca 0.00 1.45 0.07 0.00 -0.41 0.00 0.00 54.97 56.08 1fd7 s GLU 46 Cb 0.00 -3.28 -0.02 0.00 -1.78 0.00 0.00 34.13 29.05 1fd7 s GLU 46 CO 0.00 0.51 -0.25 0.99 -0.49 0.00 0.00 175.26 176.02 1fd7 s THR 47 N -1.10 2.14 0.12 3.63 2.01 -1.26 -1.96 115.64 119.21 1fd7 s THR 47 Ca 0.41 -1.07 0.04 0.00 0.31 0.00 0.00 61.69 61.38 1fd7 s THR 47 Cb -0.26 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 1fd7 s THR 47 CO 0.31 0.58 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.37 1fd7 s PHE 48 N -0.51 1.10 0.29 4.92 0.08 -0.10 -4.00 117.98 119.75 1fd7 s PHE 48 Ca 0.07 -0.76 0.03 0.00 0.12 0.00 0.00 56.93 56.39 1fd7 s PHE 48 Cb -0.11 -0.59 -0.06 0.00 -0.57 0.00 0.00 43.02 41.69 1fd7 s PHE 48 CO 0.00 -0.00 0.05 1.14 -0.10 0.00 0.00 175.22 176.31 1fd7 s GLN 49 N -3.44 1.52 -0.20 0.44 -2.07 -0.11 -1.06 119.66 114.75 1fd7 s GLN 49 Ca 0.12 -1.82 -0.05 0.00 -1.82 0.00 0.00 55.36 51.78 1fd7 s GLN 49 Cb 0.01 -0.68 -0.02 0.00 -1.09 0.00 0.00 33.01 31.23 1fd7 s GLN 49 CO -0.01 -0.19 -0.00 0.08 -1.32 0.00 0.00 175.29 173.85 1fd7 s VAL 50 N -3.42 3.89 0.59 3.63 1.01 -0.54 -1.06 120.40 124.50 1fd7 s VAL 50 Ca 0.35 -0.33 -0.18 0.00 0.00 0.00 0.00 61.98 61.82 1fd7 s VAL 50 Cb 0.08 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1fd7 s VAL 50 CO 0.14 0.42 1.13 -1.61 0.00 0.00 0.00 175.10 175.18 1fd7 s GLU 51 N 1.07 3.12 0.25 2.72 2.02 -1.26 -3.46 118.70 123.16 1fd7 s GLU 51 Ca 0.02 1.54 -0.31 0.00 0.02 0.00 0.00 54.97 56.24 1fd7 s GLU 51 Cb -0.14 -1.98 -0.12 0.00 0.10 0.00 0.00 34.13 31.98 1fd7 s GLU 51 CO 0.01 -1.02 1.61 0.28 0.02 0.00 0.00 175.26 176.17 1fd7 n VAL 52 N -1.74 0.60 -1.74 2.63 0.31 -1.26 -4.90 118.33 112.24 1fd7 n VAL 52 Ca 0.11 -0.15 -0.42 0.00 -0.01 0.00 0.00 64.34 63.87 1fd7 n VAL 52 Cb 0.51 -1.88 -0.02 0.00 -0.91 0.00 0.00 33.84 31.55 1fd7 n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1fd7 n PRO 53 N 2.82 2.61 -0.81 5.55 -0.02 -1.26 -4.97 135.00 138.92 1fd7 n PRO 53 Ca 0.12 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1fd7 n PRO 53 Cb 0.35 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 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 2.09 3.12 0.29 -1.23 0.00 -1.26 -5.03 105.19 103.17 1fd7 n GLY 54 Ca 0.09 -1.14 0.15 0.00 0.00 0.00 0.00 46.02 45.12 1fd7 n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1fd7 h SER 55 N 0.00 0.00 0.83 1.61 4.64 -2.03 -1.09 113.55 117.52 1fd7 h SER 55 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fd7 h SER 55 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1fd7 h SER 55 CO 0.00 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 1fd7 n GLN 56 N -3.66 0.15 -3.75 4.77 0.00 -1.26 -4.77 117.38 108.86 1fd7 n GLN 56 Ca -0.02 0.31 -0.36 0.00 0.00 0.00 0.00 57.00 56.92 1fd7 n GLN 56 Cb 0.15 -1.74 -0.06 0.00 0.00 0.00 0.00 30.24 28.59 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 -3.18 3.63 0.45 2.61 3.76 -0.41 -5.12 115.29 117.02 1fd7 s HIS 57 Ca 0.07 0.66 0.01 0.00 -0.15 0.00 0.00 55.06 55.65 1fd7 s HIS 57 Cb 0.11 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.76 1fd7 s HIS 57 CO 0.41 0.68 0.65 0.96 -0.85 0.00 0.00 174.74 176.59 1fd7 s ILE 58 N -1.13 3.82 0.40 0.60 -4.36 -1.26 -4.89 121.20 114.39 1fd7 s ILE 58 Ca 0.21 -0.60 0.25 0.00 -0.26 0.00 0.00 60.65 60.25 1fd7 s ILE 58 Cb -0.14 -3.40 0.27 0.00 1.25 0.00 0.00 42.46 40.45 1fd7 s ILE 58 CO 0.10 -0.26 2.04 -0.78 0.24 0.00 0.00 174.94 176.28 1fd7 h ASP 59 N 0.43 0.00 0.38 4.36 3.58 -1.99 -0.16 116.42 123.02 1fd7 h ASP 59 Ca -0.45 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.00 1fd7 h ASP 59 Cb 1.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.31 1fd7 h ASP 59 CO 0.56 0.14 0.00 0.77 -2.88 0.00 0.00 179.24 177.83 1fd7 h SER 60 N 0.00 0.00 0.73 2.28 4.64 -2.05 -2.13 113.55 117.02 1fd7 h SER 60 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fd7 h SER 60 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1fd7 h SER 60 CO 0.02 0.00 -0.67 0.00 -0.87 0.00 0.00 176.83 175.30 1fd7 n GLN 61 N -2.40 0.24 -0.00 4.77 6.02 -0.07 -4.37 117.38 121.57 1fd7 n GLN 61 Ca 0.00 0.06 -0.10 0.00 -0.01 0.00 0.00 57.00 56.94 1fd7 n GLN 61 Cb 0.14 -1.64 -0.05 0.00 1.02 0.00 0.00 30.24 29.71 1fd7 n GLN 61 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1fd7 h LYS 62 N 0.00 0.04 -0.04 -1.09 1.79 -1.46 0.15 116.57 115.96 1fd7 h LYS 62 Ca 0.00 -0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 1fd7 h LYS 62 Cb 0.70 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 1fd7 h LYS 62 CO 0.00 0.03 -0.48 0.87 -1.08 0.00 0.00 179.45 178.78 1fd7 h LYS 63 N 0.04 0.10 -0.27 3.15 1.57 -1.78 -2.75 116.57 116.63 1fd7 h LYS 63 Ca 0.05 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 1fd7 h LYS 63 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1fd7 h LYS 63 CO -0.08 0.57 -0.34 0.00 -0.57 0.00 0.00 179.45 179.03 1fd7 h ALA 64 N 1.43 0.90 -0.36 3.86 0.00 -1.61 -0.12 119.26 123.35 1fd7 h ALA 64 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1fd7 h ALA 64 Cb 0.89 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1fd7 h ALA 64 CO 0.07 0.63 0.14 0.82 0.00 0.00 0.00 179.25 180.90 1fd7 h ILE 65 N 0.50 1.20 -0.68 0.00 2.04 -0.52 -0.76 117.51 119.28 1fd7 h ILE 65 Ca 0.05 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 1fd7 h ILE 65 Cb 0.83 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 1fd7 h ILE 65 CO 0.07 0.22 0.32 -0.33 0.00 0.00 0.00 178.15 178.43 1fd7 h GLU 66 N 0.44 0.98 -0.40 2.37 4.39 -1.27 -2.39 114.58 118.70 1fd7 h GLU 66 Ca 0.12 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1fd7 h GLU 66 Cb 0.21 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1fd7 h GLU 66 CO -0.01 0.78 0.26 -0.09 -1.16 0.00 0.00 179.01 178.79 1fd7 h ARG 67 N 0.94 0.51 -0.62 2.33 2.43 -0.81 -1.80 114.38 117.37 1fd7 h ARG 67 Ca 0.23 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 1fd7 h ARG 67 Cb 0.13 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 1fd7 h ARG 67 CO -0.03 0.34 0.37 1.98 -1.51 0.00 0.00 179.97 181.12 1fd7 h MET 68 N 0.53 0.70 -0.50 0.20 4.05 -0.85 0.37 114.93 119.42 1fd7 h MET 68 Ca 0.15 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.46 1fd7 h MET 68 Cb -0.04 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.58 1fd7 h MET 68 CO -0.04 0.46 0.04 0.87 0.23 0.00 0.00 176.91 178.47 1fd7 h LYS 69 N 0.72 0.80 -0.22 0.39 1.57 -1.23 -1.25 116.57 117.34 1fd7 h LYS 69 Ca 0.25 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1fd7 h LYS 69 Cb 0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1fd7 h LYS 69 CO -0.12 0.78 0.09 -0.44 -0.57 0.00 0.00 179.45 179.19 1fd7 h ASP 70 N 0.76 0.12 -0.85 0.86 3.32 -0.38 -2.34 116.42 117.91 1fd7 h ASP 70 Ca 0.15 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.25 1fd7 h ASP 70 Cb 0.40 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 1fd7 h ASP 70 CO 0.01 0.10 0.55 0.74 -1.72 0.00 0.00 179.24 178.92 1fd7 h THR 71 N 0.20 1.15 -0.67 0.35 2.02 -0.60 -1.94 112.91 113.43 1fd7 h THR 71 Ca 0.09 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 1fd7 h THR 71 Cb 0.05 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.41 1fd7 h THR 71 CO -0.08 0.20 0.13 -0.07 0.37 0.00 0.00 175.52 176.06 1fd7 h LEU 72 N 1.08 1.04 -0.18 2.58 3.38 -1.02 -0.22 115.31 121.96 1fd7 h LEU 72 Ca 0.33 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1fd7 h LEU 72 Cb -0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1fd7 h LEU 72 CO -0.11 1.02 0.08 -0.09 0.09 0.00 0.00 178.44 179.43 1fd7 h ARG 73 N 1.03 0.26 -0.05 1.13 2.43 -1.14 0.01 114.38 118.04 1fd7 h ARG 73 Ca 0.21 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.20 1fd7 h ARG 73 Cb 0.41 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1fd7 h ARG 73 CO 0.01 0.31 -0.59 0.97 -1.51 0.00 0.00 179.97 179.17 1fd7 h ILE 74 N 0.15 1.39 -0.25 1.20 6.09 -1.19 -1.22 117.51 123.67 1fd7 h ILE 74 Ca 0.06 -1.96 -0.00 0.00 -1.37 0.00 0.00 64.86 61.59 1fd7 h ILE 74 Cb 0.14 2.00 -0.01 0.00 0.47 0.00 0.00 36.82 39.42 1fd7 h ILE 74 CO -0.01 0.57 0.14 0.74 -3.07 0.00 0.00 178.15 176.53 1fd7 h THR 75 N 0.13 1.11 -0.29 2.19 2.02 -0.96 -1.27 112.91 115.84 1fd7 h THR 75 Ca -0.00 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1fd7 h THR 75 Cb 1.07 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1fd7 h THR 75 CO 0.09 0.11 0.12 0.22 0.37 0.00 0.00 175.52 176.43 1fd7 h TYR 76 N 0.30 0.43 0.00 3.16 3.20 -0.69 -2.15 116.97 121.23 1fd7 h TYR 76 Ca 0.09 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 1fd7 h TYR 76 Cb 0.04 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1fd7 h TYR 76 CO -0.04 0.42 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.63 1fd7 h LEU 77 N 0.32 0.00 -1.44 2.82 3.38 -1.08 -2.46 115.31 116.85 1fd7 h LEU 77 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1fd7 h LEU 77 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1fd7 h LEU 77 CO -0.01 0.19 -0.05 0.35 0.09 0.00 0.00 178.44 179.02 1fd7 n THR 78 N -3.85 0.00 -2.53 0.22 -2.24 -0.49 -4.95 114.28 100.44 1fd7 n THR 78 Ca -0.02 -0.37 -0.21 0.00 -2.27 0.00 0.00 64.05 61.18 1fd7 n THR 78 Cb 0.29 1.07 -0.00 0.00 -2.10 0.00 0.00 70.33 69.58 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 0.73 -2.34 -2.40 -0.78 1.02 -0.93 -4.96 120.64 110.98 1fd7 n GLU 79 Ca 0.15 0.96 -0.42 0.00 -0.02 0.00 0.00 57.16 57.84 1fd7 n GLU 79 Cb 0.49 -5.66 -0.03 0.00 -0.02 0.00 0.00 31.44 26.22 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 -3.04 3.89 0.17 2.62 2.01 -0.84 -4.79 115.64 115.65 1fd7 s THR 80 Ca 0.06 1.40 -0.30 0.00 0.31 0.00 0.00 61.69 63.17 1fd7 s THR 80 Cb -0.03 -3.90 -0.07 0.00 0.01 0.00 0.00 72.50 68.51 1fd7 s THR 80 CO 0.08 0.14 1.09 -0.54 -0.69 0.00 0.00 174.62 174.69 1fd7 s LYS 81 N 0.76 4.60 0.06 4.92 1.02 -1.26 -4.40 119.74 125.43 1fd7 s LYS 81 Ca 0.58 1.69 -0.20 0.00 0.02 0.00 0.00 55.97 58.06 1fd7 s LYS 81 Cb -0.31 -3.29 -0.06 0.00 -0.52 0.00 0.00 37.83 33.65 1fd7 s LYS 81 CO 0.31 0.08 0.58 0.42 -0.92 0.00 0.00 175.35 175.82 1fd7 s ILE 82 N -0.19 4.77 0.00 2.17 1.01 0.14 -4.37 121.20 124.73 1fd7 s ILE 82 Ca 0.49 1.23 0.00 0.00 0.00 0.00 0.00 60.65 62.38 1fd7 s ILE 82 Cb -0.29 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1fd7 s ILE 82 CO 0.34 0.52 0.00 -0.67 0.00 0.00 0.00 174.94 175.14 1fd7 n ASP 83 N 1.94 0.00 -4.40 3.58 2.03 0.10 -1.14 116.55 118.66 1fd7 n ASP 83 Ca -0.09 0.18 -0.26 0.00 0.52 0.00 0.00 54.79 55.13 1fd7 n ASP 83 Cb 0.51 -0.31 -0.12 0.00 -0.72 0.00 0.00 41.12 40.48 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 -0.61 1.45 -0.06 -0.67 1.02 -1.17 -0.15 119.74 119.56 1fd7 s LYS 84 Ca 0.00 -1.47 0.05 0.00 0.02 0.00 0.00 55.97 54.57 1fd7 s LYS 84 Cb 0.00 -1.77 -0.01 0.00 -0.52 0.00 0.00 37.83 35.54 1fd7 s LYS 84 CO 0.00 0.39 -0.21 -0.51 -0.92 0.00 0.00 175.35 174.09 1fd7 s LEU 85 N -2.55 2.00 -0.27 3.17 1.43 -0.33 -1.52 118.68 120.60 1fd7 s LEU 85 Ca 0.18 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 1fd7 s LEU 85 Cb -0.08 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 1fd7 s LEU 85 CO 0.09 0.19 0.27 0.00 0.23 0.00 0.00 176.35 177.14 1fd7 s VAL 87 N 1.82 0.83 -0.18 0.00 -7.23 -0.52 -0.04 120.40 115.08 1fd7 s VAL 87 Ca 0.11 -0.94 -0.28 0.00 -1.81 0.00 0.00 61.98 59.06 1fd7 s VAL 87 Cb -0.16 -0.79 -0.00 0.00 0.56 0.00 0.00 36.38 35.99 1fd7 s VAL 87 CO 0.10 -0.12 0.99 0.26 -0.31 0.00 0.00 175.10 176.01 1fd7 s TRP 88 N -0.95 3.41 -1.91 2.82 0.51 0.12 -1.95 118.94 120.99 1fd7 s TRP 88 Ca -0.02 1.46 0.17 0.00 -2.12 0.00 0.00 56.10 55.59 1fd7 s TRP 88 Cb -0.08 -3.19 0.51 0.00 -0.81 0.00 0.00 33.47 29.90 1fd7 s TRP 88 CO 0.01 -0.35 1.42 0.27 -0.51 0.00 0.00 176.95 177.79 1fd7 n ASN 89 N 5.70 3.15 -1.93 2.95 0.23 0.80 -1.74 115.26 124.42 1fd7 n ASN 89 Ca 0.09 -2.04 -0.05 0.00 -0.53 0.00 0.00 54.58 52.05 1fd7 n ASN 89 Cb 0.47 -0.40 0.31 0.00 -2.08 0.00 0.00 39.78 38.08 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 1.14 4.77 -4.07 0.53 2.04 -1.26 -4.89 115.26 113.51 1fd7 n ASN 90 Ca 0.19 -3.23 -0.10 0.00 -0.44 0.00 0.00 54.58 51.00 1fd7 n ASN 90 Cb 0.51 -0.73 -0.11 0.00 -2.53 0.00 0.00 39.78 36.92 1fd7 n ASN 90 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1fd7 s LYS 91 N -3.00 0.56 -0.10 -3.83 -0.14 -1.26 -5.09 119.74 106.88 1fd7 s LYS 91 Ca 0.54 -0.95 -0.01 0.00 -1.36 0.00 0.00 55.97 54.20 1fd7 s LYS 91 Cb 0.44 -0.07 0.03 0.00 -1.68 0.00 0.00 37.83 36.54 1fd7 s LYS 91 CO 0.13 -0.02 -0.05 0.99 -0.76 0.00 0.00 175.35 175.64 1fd7 s THR 92 N -2.43 0.81 0.97 2.17 2.01 -1.26 -2.91 115.64 115.00 1fd7 s THR 92 Ca -0.03 -0.16 -0.12 0.00 0.31 0.00 0.00 61.69 61.69 1fd7 s THR 92 Cb -0.03 -0.88 0.17 0.00 0.01 0.00 0.00 72.50 71.77 1fd7 s THR 92 CO -0.03 0.33 1.09 -2.16 -0.69 0.00 0.00 174.62 173.16 1fd7 s PRO 93 N 1.80 0.69 0.70 4.92 0.04 -1.26 -5.06 135.00 136.83 1fd7 s PRO 93 Ca 0.05 0.59 -0.16 0.00 0.04 0.00 0.00 61.00 61.52 1fd7 s PRO 93 Cb -0.12 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.66 1fd7 s PRO 93 CO -0.07 -2.57 1.08 0.09 0.04 0.00 0.00 177.00 175.57 1fd7 n ASN 94 N -4.08 1.00 -4.46 6.66 4.13 -1.15 -4.50 115.26 112.87 1fd7 n ASN 94 Ca 0.06 0.71 -0.34 0.00 1.68 0.00 0.00 54.58 56.69 1fd7 n ASN 94 Cb 0.57 -1.46 -0.12 0.00 -1.54 0.00 0.00 39.78 37.23 1fd7 n ASN 94 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1fd7 s SER 95 N -1.59 4.75 0.02 6.41 0.15 -0.71 -0.93 113.70 121.79 1fd7 s SER 95 Ca 0.76 -0.18 -0.30 0.00 0.70 0.00 0.00 55.95 56.93 1fd7 s SER 95 Cb -0.36 -1.79 -0.06 0.00 -1.71 0.00 0.00 66.02 62.10 1fd7 s SER 95 CO 0.47 0.11 1.52 -0.63 1.20 0.00 0.00 173.24 175.92 1fd7 s ILE 96 N 0.69 3.45 -0.18 6.45 1.01 -0.22 0.12 121.20 132.52 1fd7 s ILE 96 Ca -0.01 0.83 0.11 0.00 0.00 0.00 0.00 60.65 61.57 1fd7 s ILE 96 Cb -0.14 -3.53 -0.19 0.00 0.01 0.00 0.00 42.46 38.61 1fd7 s ILE 96 CO 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 174.94 174.93 1fd7 n ALA 97 N 5.71 1.57 -3.37 9.38 0.00 0.94 -4.89 120.51 129.85 1fd7 n ALA 97 Ca 0.15 -1.05 -0.13 0.00 0.00 0.00 0.00 53.44 52.40 1fd7 n ALA 97 Cb 0.42 -0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.76 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 -2.41 -1.50 0.03 0.00 0.00 -0.84 -4.98 121.76 112.06 1fd7 s ALA 98 Ca -0.15 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.44 1fd7 s ALA 98 Cb 0.06 0.58 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 1fd7 s ALA 98 CO 0.63 -0.62 -0.06 -1.50 0.00 0.00 0.00 175.76 174.21 1fd7 s ILE 99 N -2.96 0.39 0.05 0.00 2.07 -1.26 -1.67 121.20 117.81 1fd7 s ILE 99 Ca -0.03 -0.94 0.01 0.00 -1.41 0.00 0.00 60.65 58.28 1fd7 s ILE 99 Cb -0.00 -0.47 -0.03 0.00 0.13 0.00 0.00 42.46 42.08 1fd7 s ILE 99 CO -0.06 -0.37 -0.05 -0.94 -1.91 0.00 0.00 174.94 171.61 1fd7 s SER 100 N -1.40 0.64 -0.09 4.50 1.04 -0.58 -4.99 113.70 112.82 1fd7 s SER 100 Ca -0.11 -0.77 -0.08 0.00 0.48 0.00 0.00 55.95 55.47 1fd7 s SER 100 Cb -0.09 0.11 0.03 0.00 0.10 0.00 0.00 66.02 66.17 1fd7 s SER 100 CO -0.00 -0.40 0.24 -0.04 0.98 0.00 0.00 173.24 174.02 1fd7 s MET 101 N -2.73 0.27 0.07 4.02 -1.94 -1.26 0.01 119.30 117.74 1fd7 s MET 101 Ca -0.02 0.35 0.02 0.00 -1.71 0.00 0.00 55.69 54.34 1fd7 s MET 101 Cb -0.01 0.11 -0.03 0.00 2.01 0.00 0.00 34.83 36.90 1fd7 s MET 101 CO -0.04 -0.05 -0.08 -1.59 -0.01 0.00 0.00 175.02 173.26 1fd7 s LYS 102 N 0.24 0.68 0.00 2.03 -2.85 -1.26 -4.88 119.74 113.70 1fd7 s LYS 102 Ca -0.01 -1.03 0.00 0.00 -1.00 0.00 0.00 55.97 53.93 1fd7 s LYS 102 Cb -0.03 -0.28 0.00 0.00 -2.06 0.00 0.00 37.83 35.47 1fd7 s LYS 102 CO -0.01 0.03 0.20 -1.71 0.10 0.00 0.00 175.35 173.96