#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 2.50 -0.06 0.00 0.02 -1.26 -4.98 135.00 131.23 1fd7 s PRO 2 Ca 0.00 1.82 0.19 0.00 0.02 0.00 0.00 61.00 63.03 1fd7 s PRO 2 Cb 0.00 -1.87 -0.29 0.00 0.02 0.00 0.00 34.50 32.36 1fd7 s PRO 2 CO 0.00 -1.57 0.36 1.04 -0.33 0.00 0.00 177.00 176.50 1fd7 n GLN 3 N -2.21 0.68 -4.31 5.54 1.13 -1.26 -4.98 117.38 111.96 1fd7 n GLN 3 Ca 0.14 -0.15 -0.16 0.00 -1.94 0.00 0.00 57.00 54.89 1fd7 n GLN 3 Cb 0.50 -1.47 -0.10 0.00 0.11 0.00 0.00 30.24 29.28 1fd7 n GLN 3 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1fd7 s THR 4 N -3.19 0.53 0.29 5.09 -4.23 -1.26 -5.05 115.64 107.82 1fd7 s THR 4 Ca -0.08 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.50 1fd7 s THR 4 Cb 0.11 -2.63 0.03 0.00 1.34 0.00 0.00 72.50 71.35 1fd7 s THR 4 CO 0.81 0.00 1.69 -0.29 -0.54 0.00 0.00 174.62 176.28 1fd7 h ILE 5 N 2.39 1.32 -0.26 2.99 2.10 -1.96 -1.78 117.51 122.31 1fd7 h ILE 5 Ca -0.38 -1.56 -0.11 0.00 1.08 0.00 0.00 64.86 63.89 1fd7 h ILE 5 Cb 1.25 1.71 -0.00 0.00 -1.09 0.00 0.00 36.82 38.68 1fd7 h ILE 5 CO 0.60 0.47 -0.28 0.74 -1.08 0.00 0.00 178.15 178.60 1fd7 h THR 6 N 0.21 1.31 -0.52 2.19 2.02 -1.98 0.52 112.91 116.66 1fd7 h THR 6 Ca 0.02 -1.45 0.01 0.00 0.77 0.00 0.00 66.41 65.76 1fd7 h THR 6 Cb 0.84 1.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.88 1fd7 h THR 6 CO 0.07 0.46 0.33 -0.08 0.37 0.00 0.00 175.52 176.66 1fd7 h GLU 7 N 0.36 0.65 -0.17 6.66 4.81 -1.92 -0.68 114.58 124.29 1fd7 h GLU 7 Ca 0.04 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1fd7 h GLU 7 Cb 0.84 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1fd7 h GLU 7 CO 0.07 0.43 0.08 1.25 -0.73 0.00 0.00 179.01 180.10 1fd7 h LEU 8 N 0.67 0.22 -1.20 1.64 6.46 -1.22 -2.76 115.31 119.11 1fd7 h LEU 8 Ca 0.20 -0.13 0.13 0.00 -0.12 0.00 0.00 57.88 57.95 1fd7 h LEU 8 Cb -0.04 -0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 39.76 1fd7 h LEU 8 CO -0.06 0.29 0.59 0.00 -0.62 0.00 0.00 178.44 178.64 1fd7 h SER 10 N 0.81 0.00 1.14 0.00 0.02 -0.83 -2.15 113.55 112.53 1fd7 h SER 10 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1fd7 h SER 10 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1fd7 h SER 10 CO -0.21 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 174.86 1fd7 n GLU 11 N -2.80 0.21 -4.57 3.45 1.02 -0.65 -4.82 120.64 112.49 1fd7 n GLU 11 Ca -0.00 0.27 -0.33 0.00 -0.02 0.00 0.00 57.16 57.07 1fd7 n GLU 11 Cb 0.19 -1.79 -0.11 0.00 -0.02 0.00 0.00 31.44 29.71 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 -3.16 2.92 0.74 -0.32 1.51 -0.81 -5.13 117.35 113.10 1fd7 s TYR 12 Ca 0.09 -0.00 -0.12 0.00 -1.01 0.00 0.00 57.07 56.03 1fd7 s TYR 12 Cb 0.12 -1.67 0.04 0.00 -0.11 0.00 0.00 41.96 40.33 1fd7 s TYR 12 CO 0.51 0.35 1.12 1.03 -1.11 0.00 0.00 175.55 177.45 1fd7 s ARG 13 N -1.03 2.56 -1.49 -0.62 0.52 -1.26 -4.10 118.95 113.52 1fd7 s ARG 13 Ca 0.14 0.36 -0.06 0.00 -0.52 0.00 0.00 55.73 55.65 1fd7 s ARG 13 Cb -0.11 -2.00 0.01 0.00 0.52 0.00 0.00 34.95 33.37 1fd7 s ARG 13 CO 0.04 -1.23 0.83 0.09 0.02 0.00 0.00 175.30 175.04 1fd7 n ASN 14 N -3.12 -6.25 -4.25 0.23 5.03 -1.26 -4.95 115.26 100.69 1fd7 n ASN 14 Ca 0.07 -0.38 -0.14 0.00 0.87 0.00 0.00 54.58 55.00 1fd7 n ASN 14 Cb 0.58 -5.00 -0.10 0.00 -1.02 0.00 0.00 39.78 34.25 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 -3.24 1.03 0.06 3.41 -4.23 -1.26 -0.68 115.64 110.74 1fd7 s THR 15 Ca 0.41 -2.03 -0.18 0.00 -1.18 0.00 0.00 61.69 58.71 1fd7 s THR 15 Cb -0.18 -1.95 0.04 0.00 1.34 0.00 0.00 72.50 71.74 1fd7 s THR 15 CO 0.51 -0.65 0.42 0.00 -0.54 0.00 0.00 174.62 174.36 1fd7 s GLN 16 N -3.80 0.96 -0.17 3.99 -2.07 -0.51 -4.90 119.66 113.16 1fd7 s GLN 16 Ca 0.19 -0.43 -0.12 0.00 -1.82 0.00 0.00 55.36 53.19 1fd7 s GLN 16 Cb 0.04 0.43 -0.05 0.00 -1.09 0.00 0.00 33.01 32.34 1fd7 s GLN 16 CO 0.02 -0.34 0.23 0.42 -1.32 0.00 0.00 175.29 174.29 1fd7 s ILE 17 N -2.76 5.35 -0.18 3.63 -1.09 -1.26 -1.03 121.20 123.86 1fd7 s ILE 17 Ca -0.03 0.40 -0.08 0.00 -2.23 0.00 0.00 60.65 58.71 1fd7 s ILE 17 Cb -0.00 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 1fd7 s ILE 17 CO -0.04 0.42 0.08 -0.31 -1.23 0.00 0.00 174.94 173.85 1fd7 s TYR 18 N 0.33 3.29 -0.44 3.97 1.51 -0.09 -4.97 117.35 120.95 1fd7 s TYR 18 Ca 0.13 0.14 -0.16 0.00 -1.01 0.00 0.00 57.07 56.18 1fd7 s TYR 18 Cb -0.12 -2.09 0.04 0.00 -0.11 0.00 0.00 41.96 39.68 1fd7 s TYR 18 CO 0.02 0.20 0.36 0.99 -1.11 0.00 0.00 175.55 176.01 1fd7 s THR 19 N 0.32 5.22 -0.16 -0.71 2.01 -1.26 -1.09 115.64 119.97 1fd7 s THR 19 Ca 0.04 -0.78 -0.12 0.00 0.31 0.00 0.00 61.69 61.14 1fd7 s THR 19 Cb -0.12 -4.03 -0.07 0.00 0.01 0.00 0.00 72.50 68.29 1fd7 s THR 19 CO -0.00 -0.44 -0.07 -0.38 -0.69 0.00 0.00 174.62 173.03 1fd7 n ILE 20 N 5.22 1.45 -3.84 1.82 2.08 0.23 -5.00 119.36 121.32 1fd7 n ILE 20 Ca -0.11 0.15 -0.36 0.00 0.56 0.00 0.00 62.75 62.99 1fd7 n ILE 20 Cb 0.46 -2.30 0.03 0.00 -0.75 0.00 0.00 39.64 37.08 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 -4.57 -4.34 -3.55 4.38 5.15 -0.08 -4.94 115.26 107.31 1fd7 n ASN 21 Ca -0.14 -1.11 -0.08 0.00 -0.60 0.00 0.00 54.58 52.65 1fd7 n ASN 21 Cb 0.38 -2.80 -0.03 0.00 -0.53 0.00 0.00 39.78 36.80 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 -3.60 -0.30 0.68 1.20 2.15 -0.91 -4.95 116.67 110.95 1fd7 s ASP 22 Ca 0.43 0.11 -0.11 0.00 0.43 0.00 0.00 52.55 53.40 1fd7 s ASP 22 Cb -0.18 0.29 -0.00 0.00 -0.30 0.00 0.00 42.92 42.73 1fd7 s ASP 22 CO 0.90 -0.44 1.06 -1.59 -0.17 0.00 0.00 175.17 174.94 1fd7 s LYS 23 N -2.36 3.08 0.20 4.34 -2.85 -1.26 -1.17 119.74 119.72 1fd7 s LYS 23 Ca 0.04 0.67 -0.30 0.00 -1.00 0.00 0.00 55.97 55.38 1fd7 s LYS 23 Cb -0.01 -2.03 -0.09 0.00 -2.06 0.00 0.00 37.83 33.65 1fd7 s LYS 23 CO -0.05 -0.93 1.31 0.42 0.10 0.00 0.00 175.35 176.20 1fd7 s ILE 24 N -3.22 3.19 -0.10 3.79 1.01 -1.26 -4.78 121.20 119.84 1fd7 s ILE 24 Ca 0.57 0.98 -0.24 0.00 0.00 0.00 0.00 60.65 61.96 1fd7 s ILE 24 Cb -0.12 -3.63 -0.28 0.00 0.01 0.00 0.00 42.46 38.44 1fd7 s ILE 24 CO 0.53 0.15 0.78 0.25 0.00 0.00 0.00 174.94 176.66 1fd7 h LEU 25 N 5.32 0.24 -8.03 2.97 6.46 -1.11 -3.48 115.31 117.69 1fd7 h LEU 25 Ca -0.45 -0.94 -0.17 0.00 -0.12 0.00 0.00 57.88 56.20 1fd7 h LEU 25 Cb 1.21 -0.08 -0.20 0.00 -0.73 0.00 0.00 40.66 40.86 1fd7 h LEU 25 CO 0.77 1.25 -0.70 -0.94 -0.62 0.00 0.00 178.44 178.20 1fd7 s SER 26 N -6.66 0.32 -0.09 1.25 1.04 -1.13 -4.96 113.70 103.48 1fd7 s SER 26 Ca -0.17 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.70 1fd7 s SER 26 Cb -0.00 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.24 1fd7 s SER 26 CO 0.76 -0.33 -0.12 -0.47 0.98 0.00 0.00 173.24 174.06 1fd7 s TYR 27 N -1.79 1.59 -0.05 5.02 6.14 -1.26 -2.22 117.35 124.78 1fd7 s TYR 27 Ca -0.12 -0.69 0.03 0.00 0.64 0.00 0.00 57.07 56.93 1fd7 s TYR 27 Cb -0.08 -1.20 0.01 0.00 0.42 0.00 0.00 41.96 41.11 1fd7 s TYR 27 CO -0.02 -0.39 -0.13 0.99 0.64 0.00 0.00 175.55 176.64 1fd7 s THR 28 N 1.03 1.13 -0.03 4.34 2.01 0.09 -4.99 115.64 119.21 1fd7 s THR 28 Ca -0.07 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 61.44 1fd7 s THR 28 Cb -0.15 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.36 1fd7 s THR 28 CO -0.01 0.34 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.46 1fd7 s GLU 29 N 0.34 1.11 -0.01 4.92 2.12 -1.26 -0.00 118.70 125.91 1fd7 s GLU 29 Ca -0.08 -0.35 0.06 0.00 0.36 0.00 0.00 54.97 54.96 1fd7 s GLU 29 Cb -0.12 -1.01 -0.02 0.00 0.26 0.00 0.00 34.13 33.24 1fd7 s GLU 29 CO 0.02 0.13 -0.20 0.45 -0.54 0.00 0.00 175.26 175.12 1fd7 s SER 30 N 0.19 2.35 -0.14 -1.70 0.15 0.48 -4.98 113.70 110.05 1fd7 s SER 30 Ca -0.04 -0.38 0.16 0.00 0.70 0.00 0.00 55.95 56.40 1fd7 s SER 30 Cb -0.09 -0.25 0.42 0.00 -1.71 0.00 0.00 66.02 64.38 1fd7 s SER 30 CO 0.01 0.24 1.31 1.15 1.20 0.00 0.00 173.24 177.15 1fd7 n MET 31 N 2.51 2.45 -2.41 5.44 0.00 -1.26 -2.60 117.12 121.24 1fd7 n MET 31 Ca -0.15 -2.65 -0.41 0.00 0.00 0.00 0.00 57.70 54.49 1fd7 n MET 31 Cb 0.53 -1.67 -0.04 0.00 0.00 0.00 0.00 33.22 32.05 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 -2.62 3.42 0.22 3.17 0.00 -1.26 -4.85 121.76 119.84 1fd7 s ALA 32 Ca 0.36 0.94 -0.32 0.00 0.00 0.00 0.00 51.96 52.95 1fd7 s ALA 32 Cb 0.29 -3.37 -0.13 0.00 0.00 0.00 0.00 23.12 19.91 1fd7 s ALA 32 CO 0.07 -0.28 1.55 0.41 0.00 0.00 0.00 175.76 177.51 1fd7 n GLY 33 N 1.58 1.13 3.31 0.00 0.00 -1.26 -0.93 105.19 109.02 1fd7 n GLY 33 Ca 0.01 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 2.79 -0.03 -2.20 1.61 4.76 -1.26 -4.81 118.16 119.02 1fd7 n LYS 34 Ca 0.13 0.01 -0.05 0.00 -2.87 0.00 0.00 58.31 55.53 1fd7 n LYS 34 Cb 0.32 -3.24 0.05 0.00 -1.84 0.00 0.00 35.03 30.33 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 -1.98 1.91 -2.37 1.97 5.12 -0.11 -4.98 116.66 116.22 1fd7 n ARG 35 Ca 0.00 -3.41 -0.37 0.00 -1.93 0.00 0.00 57.85 52.15 1fd7 n ARG 35 Cb 0.01 -1.51 -0.04 0.00 -1.16 0.00 0.00 32.46 29.76 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 -3.06 3.17 0.28 5.56 8.01 -1.13 -4.23 118.70 127.30 1fd7 s GLU 36 Ca 0.35 -0.64 -0.14 0.00 0.01 0.00 0.00 54.97 54.56 1fd7 s GLU 36 Cb 0.36 -5.05 0.01 0.00 -4.31 0.00 0.00 34.13 25.14 1fd7 s GLU 36 CO -0.04 -2.58 0.56 0.00 0.01 0.00 0.00 175.26 173.21 1fd7 s MET 37 N 5.82 1.71 0.02 1.61 0.23 -1.07 -4.15 119.30 123.46 1fd7 s MET 37 Ca 0.53 -1.27 0.06 0.00 -1.03 0.00 0.00 55.69 53.98 1fd7 s MET 37 Cb -0.04 0.51 -0.02 0.00 -1.53 0.00 0.00 34.83 33.75 1fd7 s MET 37 CO -0.02 -0.74 -0.17 0.08 -2.03 0.00 0.00 175.02 172.15 1fd7 s VAL 38 N -3.72 1.34 -0.03 5.16 1.01 -1.23 -0.39 120.40 122.54 1fd7 s VAL 38 Ca 0.20 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.26 1fd7 s VAL 38 Cb -0.02 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.19 1fd7 s VAL 38 CO 0.10 0.18 -0.13 -0.63 0.00 0.00 0.00 175.10 174.62 1fd7 s ILE 39 N -0.68 1.11 0.22 2.22 1.01 1.00 -1.41 121.20 124.68 1fd7 s ILE 39 Ca 0.05 -0.56 0.09 0.00 0.00 0.00 0.00 60.65 60.22 1fd7 s ILE 39 Cb -0.08 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 1fd7 s ILE 39 CO 0.01 0.33 -0.15 0.27 0.00 0.00 0.00 174.94 175.39 1fd7 s ILE 40 N -0.03 1.89 0.06 2.92 -4.36 0.11 -0.74 121.20 121.06 1fd7 s ILE 40 Ca -0.01 -2.25 -0.03 0.00 -0.26 0.00 0.00 60.65 58.10 1fd7 s ILE 40 Cb -0.09 -2.12 -0.03 0.00 1.25 0.00 0.00 42.46 41.47 1fd7 s ILE 40 CO 0.01 -0.54 0.04 0.42 0.24 0.00 0.00 174.94 175.11 1fd7 s THR 41 N -2.88 0.19 0.24 8.37 -4.23 -0.94 -1.10 115.64 115.28 1fd7 s THR 41 Ca 0.24 -1.55 0.08 0.00 -1.18 0.00 0.00 61.69 59.28 1fd7 s THR 41 Cb -0.01 -1.37 -0.05 0.00 1.34 0.00 0.00 72.50 72.41 1fd7 s THR 41 CO 0.09 -0.86 -0.12 -0.36 -0.54 0.00 0.00 174.62 172.83 1fd7 s PHE 42 N -3.69 1.85 0.57 3.99 0.08 -0.73 -0.47 117.98 119.57 1fd7 s PHE 42 Ca 0.05 -0.58 0.26 0.00 0.12 0.00 0.00 56.93 56.77 1fd7 s PHE 42 Cb 0.06 -0.91 1.56 0.00 -0.57 0.00 0.00 43.02 43.15 1fd7 s PHE 42 CO -0.09 0.38 2.10 -0.22 -0.10 0.00 0.00 175.22 177.29 1fd7 h LYS 43 N 2.44 0.00 -0.15 0.44 3.64 -1.90 -0.30 116.57 120.75 1fd7 h LYS 43 Ca -0.39 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.03 1fd7 h LYS 43 Cb 1.23 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1fd7 h LYS 43 CO 0.63 0.00 0.17 0.66 -2.27 0.00 0.00 179.45 178.64 1fd7 h SER 44 N 0.00 0.00 0.00 4.20 4.64 -1.98 -3.45 113.55 116.96 1fd7 h SER 44 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1fd7 h SER 44 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 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 -1.38 0.54 3.81 -0.77 0.00 -0.12 -5.08 105.19 102.18 1fd7 n GLY 45 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.77 4.19 -0.02 1.61 0.41 -1.25 -4.86 118.70 118.01 1fd7 s GLU 46 Ca 0.00 1.22 0.05 0.00 -0.41 0.00 0.00 54.97 55.83 1fd7 s GLU 46 Cb 0.00 -2.27 -0.01 0.00 -1.78 0.00 0.00 34.13 30.07 1fd7 s GLU 46 CO 0.00 -0.07 -0.18 0.99 -0.49 0.00 0.00 175.26 175.51 1fd7 s THR 47 N -2.04 1.44 0.04 3.63 2.01 -1.26 -1.78 115.64 117.69 1fd7 s THR 47 Ca 0.61 -0.77 -0.00 0.00 0.31 0.00 0.00 61.69 61.84 1fd7 s THR 47 Cb -0.12 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.14 1fd7 s THR 47 CO 0.17 0.41 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.11 1fd7 s PHE 48 N -0.32 0.46 0.21 4.92 0.08 -0.26 -3.81 117.98 119.26 1fd7 s PHE 48 Ca 0.04 -0.83 0.08 0.00 0.12 0.00 0.00 56.93 56.35 1fd7 s PHE 48 Cb -0.08 -0.33 -0.05 0.00 -0.57 0.00 0.00 43.02 41.99 1fd7 s PHE 48 CO 0.00 -0.28 -0.16 1.14 -0.10 0.00 0.00 175.22 175.82 1fd7 s GLN 49 N -2.90 1.37 -0.32 0.44 -2.07 -0.28 -0.71 119.66 115.18 1fd7 s GLN 49 Ca -0.02 -1.58 -0.10 0.00 -1.82 0.00 0.00 55.36 51.85 1fd7 s GLN 49 Cb 0.00 -1.26 -0.00 0.00 -1.09 0.00 0.00 33.01 30.66 1fd7 s GLN 49 CO -0.06 0.22 0.16 0.08 -1.32 0.00 0.00 175.29 174.38 1fd7 s VAL 50 N -2.71 4.65 0.67 3.63 1.01 -0.50 -0.93 120.40 126.22 1fd7 s VAL 50 Ca 0.22 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 1fd7 s VAL 50 Cb -0.02 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.97 1fd7 s VAL 50 CO 0.08 0.04 1.21 -1.61 0.00 0.00 0.00 175.10 174.82 1fd7 s GLU 51 N 1.62 2.51 0.34 2.72 2.02 -1.26 -3.51 118.70 123.14 1fd7 s GLU 51 Ca 0.04 1.80 -0.29 0.00 0.02 0.00 0.00 54.97 56.54 1fd7 s GLU 51 Cb -0.17 -1.87 -0.11 0.00 0.10 0.00 0.00 34.13 32.07 1fd7 s GLU 51 CO 0.07 -1.56 1.52 0.08 0.02 0.00 0.00 175.26 175.39 1fd7 s VAL 52 N -1.80 2.08 0.19 2.63 1.01 -1.26 -4.90 120.40 118.36 1fd7 s VAL 52 Ca 0.76 0.08 -0.33 0.00 0.00 0.00 0.00 61.98 62.49 1fd7 s VAL 52 Cb -0.30 -3.05 -0.13 0.00 0.00 0.00 0.00 36.38 32.90 1fd7 s VAL 52 CO 0.40 0.02 1.62 -2.65 0.00 0.00 0.00 175.10 174.49 1fd7 n PRO 53 N 1.18 2.41 -1.51 2.72 -0.02 -1.26 -4.96 135.00 133.55 1fd7 n PRO 53 Ca 0.04 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1fd7 n PRO 53 Cb 0.39 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 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 3.46 3.56 0.31 -1.23 0.00 -1.26 -5.04 105.19 104.99 1fd7 n GLY 54 Ca 0.16 -1.44 0.20 0.00 0.00 0.00 0.00 46.02 44.93 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 1.34 1.61 0.02 -2.03 0.18 113.55 114.67 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 0.02 0.00 0.06 -1.14 0.00 0.00 176.83 175.77 1fd7 h GLN 56 N 0.00 0.00 -6.68 3.45 -0.00 -1.97 -3.45 115.11 106.47 1fd7 h GLN 56 Ca -0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 58.65 58.15 1fd7 h GLN 56 Cb 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.67 1fd7 h GLN 56 CO 0.00 0.00 0.05 -1.01 -0.00 0.00 0.00 178.83 177.87 1fd7 s HIS 57 N -3.24 3.40 0.24 0.06 3.76 0.63 -5.08 115.29 115.06 1fd7 s HIS 57 Ca 0.07 1.10 0.06 0.00 -0.15 0.00 0.00 55.06 56.15 1fd7 s HIS 57 Cb 0.10 -2.45 -0.03 0.00 1.11 0.00 0.00 32.58 31.30 1fd7 s HIS 57 CO 0.55 0.10 0.23 0.96 -0.85 0.00 0.00 174.74 175.73 1fd7 s ILE 58 N -2.02 4.66 0.38 0.60 -4.36 -1.26 -4.92 121.20 114.29 1fd7 s ILE 58 Ca 0.52 -1.25 0.13 0.00 -0.26 0.00 0.00 60.65 59.78 1fd7 s ILE 58 Cb -0.10 -3.50 0.35 0.00 1.25 0.00 0.00 42.46 40.45 1fd7 s ILE 58 CO 0.21 -0.31 1.86 -0.78 0.24 0.00 0.00 174.94 176.15 1fd7 h ASP 59 N 1.54 0.55 0.45 4.36 3.58 -1.98 0.42 116.42 125.34 1fd7 h ASP 59 Ca -0.49 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.00 1fd7 h ASP 59 Cb 1.23 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1fd7 h ASP 59 CO 0.61 0.25 0.00 0.77 -2.88 0.00 0.00 179.24 177.99 1fd7 h SER 60 N 0.56 0.00 0.62 2.28 4.64 -2.04 -2.37 113.55 117.24 1fd7 h SER 60 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1fd7 h SER 60 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1fd7 h SER 60 CO -0.21 0.00 -0.45 0.00 -0.87 0.00 0.00 176.83 175.30 1fd7 n GLN 61 N -2.50 0.04 0.06 4.77 6.02 0.14 -4.29 117.38 121.62 1fd7 n GLN 61 Ca 0.00 0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 56.84 1fd7 n GLN 61 Cb 0.16 -1.53 -0.10 0.00 1.02 0.00 0.00 30.24 29.79 1fd7 n GLN 61 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1fd7 h LYS 62 N 0.00 -0.65 -0.49 -1.09 3.64 -1.50 0.21 116.57 116.69 1fd7 h LYS 62 Ca 0.00 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1fd7 h LYS 62 Cb 0.53 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1fd7 h LYS 62 CO 0.00 -0.43 0.08 0.87 -2.27 0.00 0.00 179.45 177.70 1fd7 h LYS 63 N -0.67 0.77 -0.64 1.90 1.57 -1.80 -2.87 116.57 114.82 1fd7 h LYS 63 Ca 0.01 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 1fd7 h LYS 63 Cb 0.72 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1fd7 h LYS 63 CO -0.35 0.72 0.14 0.00 -0.57 0.00 0.00 179.45 179.39 1fd7 h ALA 64 N 1.36 1.04 -0.59 3.86 0.00 -1.54 0.80 119.26 124.19 1fd7 h ALA 64 Ca 0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1fd7 h ALA 64 Cb 0.33 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1fd7 h ALA 64 CO 0.00 0.63 0.35 0.82 0.00 0.00 0.00 179.25 181.05 1fd7 h ILE 65 N 0.97 1.18 -0.57 0.00 2.04 -0.41 -0.12 117.51 120.60 1fd7 h ILE 65 Ca 0.20 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 1fd7 h ILE 65 Cb 0.36 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1fd7 h ILE 65 CO 0.00 0.18 0.05 -0.33 0.00 0.00 0.00 178.15 178.06 1fd7 h GLU 66 N 0.79 0.94 -0.68 2.37 4.39 -1.26 -2.43 114.58 118.70 1fd7 h GLU 66 Ca 0.21 -0.25 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1fd7 h GLU 66 Cb -0.01 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 1fd7 h GLU 66 CO -0.04 0.89 0.24 -0.09 -1.16 0.00 0.00 179.01 178.85 1fd7 h ARG 67 N 0.88 1.02 -0.56 2.33 2.43 -0.56 -1.46 114.38 118.46 1fd7 h ARG 67 Ca 0.17 -0.19 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 1fd7 h ARG 67 Cb 0.44 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1fd7 h ARG 67 CO 0.02 0.85 -0.07 1.98 -1.51 0.00 0.00 179.97 181.24 1fd7 h MET 68 N 0.99 1.03 -0.60 0.20 4.05 -0.71 -1.01 114.93 118.88 1fd7 h MET 68 Ca 0.22 -0.36 -0.06 0.00 -0.28 0.00 0.00 59.70 59.22 1fd7 h MET 68 Cb 0.24 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 1fd7 h MET 68 CO -0.01 1.04 0.12 0.87 0.23 0.00 0.00 176.91 179.17 1fd7 h LYS 69 N 0.92 0.97 -0.45 0.39 1.57 -1.09 -0.96 116.57 117.93 1fd7 h LYS 69 Ca 0.15 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1fd7 h LYS 69 Cb 0.63 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 1fd7 h LYS 69 CO 0.04 0.90 0.24 -0.44 -0.57 0.00 0.00 179.45 179.63 1fd7 h ASP 70 N 0.88 0.37 -0.61 0.86 3.32 -1.03 -2.09 116.42 118.12 1fd7 h ASP 70 Ca 0.18 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.26 1fd7 h ASP 70 Cb 0.38 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1fd7 h ASP 70 CO 0.01 0.26 0.39 0.74 -1.72 0.00 0.00 179.24 178.92 1fd7 h THR 71 N 0.48 1.13 -0.72 0.35 2.02 -0.82 -2.29 112.91 113.05 1fd7 h THR 71 Ca 0.19 -0.27 -0.06 0.00 0.77 0.00 0.00 66.41 67.04 1fd7 h THR 71 Cb 0.06 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 1fd7 h THR 71 CO -0.11 0.14 0.22 -0.07 0.37 0.00 0.00 175.52 176.07 1fd7 h LEU 72 N 0.79 1.05 0.22 2.58 3.38 -0.84 -0.97 115.31 121.52 1fd7 h LEU 72 Ca 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1fd7 h LEU 72 Cb -0.05 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.42 1fd7 h LEU 72 CO -0.07 0.97 -0.11 -0.09 0.09 0.00 0.00 178.44 179.24 1fd7 h ARG 73 N 1.07 -0.29 -0.42 1.13 2.43 -1.21 -0.06 114.38 117.04 1fd7 h ARG 73 Ca 0.23 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.36 1fd7 h ARG 73 Cb 0.30 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1fd7 h ARG 73 CO -0.01 -0.05 -0.02 0.97 -1.51 0.00 0.00 179.97 179.35 1fd7 h ILE 74 N -0.48 1.23 -0.03 1.20 6.09 -1.36 0.65 117.51 124.80 1fd7 h ILE 74 Ca -0.03 -0.95 -0.00 0.00 -1.37 0.00 0.00 64.86 62.51 1fd7 h ILE 74 Cb 0.37 0.93 -0.00 0.00 0.47 0.00 0.00 36.82 38.59 1fd7 h ILE 74 CO 0.05 0.33 0.01 0.74 -3.07 0.00 0.00 178.15 176.21 1fd7 h THR 75 N 0.64 1.10 0.08 2.19 2.02 -1.16 0.24 112.91 118.03 1fd7 h THR 75 Ca 0.13 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 67.02 1fd7 h THR 75 Cb 0.43 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1fd7 h THR 75 CO 0.02 0.08 -0.21 0.22 0.37 0.00 0.00 175.52 176.00 1fd7 h TYR 76 N -0.08 -0.56 0.00 3.16 3.20 -0.46 -1.65 116.97 120.58 1fd7 h TYR 76 Ca 0.01 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1fd7 h TYR 76 Cb 0.12 0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 1fd7 h TYR 76 CO -0.03 -0.30 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.05 1fd7 h LEU 77 N -0.38 0.00 -0.93 2.82 3.38 -0.69 -2.41 115.31 117.10 1fd7 h LEU 77 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1fd7 h LEU 77 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1fd7 h LEU 77 CO -0.14 0.06 -0.23 0.35 0.09 0.00 0.00 178.44 178.57 1fd7 n THR 78 N -4.23 0.00 -3.56 0.22 -2.24 0.06 -4.95 114.28 99.57 1fd7 n THR 78 Ca -0.03 -0.24 -0.23 0.00 -2.27 0.00 0.00 64.05 61.28 1fd7 n THR 78 Cb 0.15 0.81 0.08 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.04 -7.71 -3.03 -0.78 1.02 -0.67 -4.95 120.64 104.48 1fd7 n GLU 79 Ca 0.13 0.80 -0.40 0.00 -0.02 0.00 0.00 57.16 57.67 1fd7 n GLU 79 Cb 0.42 -5.77 -0.05 0.00 -0.02 0.00 0.00 31.44 26.02 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 -3.31 4.69 0.09 2.62 2.01 -0.89 -4.82 115.64 116.03 1fd7 s THR 80 Ca 0.56 1.57 -0.31 0.00 0.31 0.00 0.00 61.69 63.83 1fd7 s THR 80 Cb -0.25 -4.08 -0.08 0.00 0.01 0.00 0.00 72.50 68.10 1fd7 s THR 80 CO 0.70 0.41 1.44 -0.54 -0.69 0.00 0.00 174.62 175.94 1fd7 s LYS 81 N -0.32 4.29 0.03 4.92 1.02 -1.26 -4.30 119.74 124.12 1fd7 s LYS 81 Ca 0.37 2.11 -0.24 0.00 0.02 0.00 0.00 55.97 58.22 1fd7 s LYS 81 Cb -0.21 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.69 1fd7 s LYS 81 CO 0.23 -0.52 0.73 0.42 -0.92 0.00 0.00 175.35 175.29 1fd7 s ILE 82 N 1.60 4.77 0.00 2.17 -1.09 -0.32 -4.28 121.20 124.04 1fd7 s ILE 82 Ca 0.66 1.56 0.00 0.00 -2.23 0.00 0.00 60.65 60.64 1fd7 s ILE 82 Cb -0.37 -4.08 0.00 0.00 -1.58 0.00 0.00 42.46 36.43 1fd7 s ILE 82 CO 0.30 0.37 0.00 -0.67 -1.23 0.00 0.00 174.94 173.71 1fd7 n ASP 83 N 2.82 0.00 -4.39 3.58 2.03 0.93 -0.90 116.55 120.61 1fd7 n ASP 83 Ca -0.03 0.21 -0.24 0.00 0.52 0.00 0.00 54.79 55.24 1fd7 n ASP 83 Cb 0.50 -0.31 -0.11 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 -0.62 1.43 -0.05 -0.67 1.02 -1.18 0.77 119.74 120.43 1fd7 s LYS 84 Ca 0.00 -1.49 0.04 0.00 0.02 0.00 0.00 55.97 54.54 1fd7 s LYS 84 Cb 0.00 -1.62 -0.00 0.00 -0.52 0.00 0.00 37.83 35.69 1fd7 s LYS 84 CO 0.00 0.34 -0.19 -0.51 -0.92 0.00 0.00 175.35 174.07 1fd7 s LEU 85 N -2.73 1.93 -0.35 3.17 1.43 -0.25 -1.18 118.68 120.70 1fd7 s LEU 85 Ca 0.19 -0.39 -0.15 0.00 -1.03 0.00 0.00 54.13 52.75 1fd7 s LEU 85 Cb -0.07 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 1fd7 s LEU 85 CO 0.09 0.16 0.36 0.00 0.23 0.00 0.00 176.35 177.18 1fd7 s VAL 87 N 2.00 1.74 -0.19 0.00 -7.23 -0.19 -0.14 120.40 116.38 1fd7 s VAL 87 Ca 0.11 -1.77 -0.20 0.00 -1.81 0.00 0.00 61.98 58.31 1fd7 s VAL 87 Cb -0.17 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 1fd7 s VAL 87 CO 0.12 -0.23 0.60 0.26 -0.31 0.00 0.00 175.10 175.53 1fd7 s TRP 88 N -1.75 3.38 -2.18 2.82 0.51 0.10 -1.43 118.94 120.40 1fd7 s TRP 88 Ca 0.12 0.90 0.21 0.00 -2.12 0.00 0.00 56.10 55.21 1fd7 s TRP 88 Cb -0.07 -2.76 0.54 0.00 -0.81 0.00 0.00 33.47 30.37 1fd7 s TRP 88 CO 0.06 -0.14 1.46 0.27 -0.51 0.00 0.00 176.95 178.09 1fd7 n ASN 89 N 4.90 3.29 -1.07 2.95 0.23 0.15 -1.87 115.26 123.84 1fd7 n ASN 89 Ca -0.02 -1.97 0.05 0.00 -0.53 0.00 0.00 54.58 52.11 1fd7 n ASN 89 Cb 0.50 -0.34 0.21 0.00 -2.08 0.00 0.00 39.78 38.07 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 1.33 3.09 -4.19 0.53 6.94 -1.26 -4.83 115.26 116.86 1fd7 n ASN 90 Ca 0.20 -2.30 -0.18 0.00 -0.02 0.00 0.00 54.58 52.29 1fd7 n ASN 90 Cb 0.54 -0.46 -0.12 0.00 -2.36 0.00 0.00 39.78 37.39 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 -1.75 0.88 -0.09 -3.83 -0.14 -1.26 -5.10 119.74 108.46 1fd7 s LYS 91 Ca 0.30 -1.06 -0.00 0.00 -1.36 0.00 0.00 55.97 53.84 1fd7 s LYS 91 Cb 0.20 -0.81 0.02 0.00 -1.68 0.00 0.00 37.83 35.57 1fd7 s LYS 91 CO 0.14 0.17 -0.05 0.99 -0.76 0.00 0.00 175.35 175.83 1fd7 s THR 92 N -1.68 0.75 1.05 2.17 2.01 -1.26 -2.94 115.64 115.73 1fd7 s THR 92 Ca 0.02 -0.14 -0.13 0.00 0.31 0.00 0.00 61.69 61.75 1fd7 s THR 92 Cb -0.08 -0.81 0.22 0.00 0.01 0.00 0.00 72.50 71.84 1fd7 s THR 92 CO 0.02 0.31 1.08 -2.16 -0.69 0.00 0.00 174.62 173.18 1fd7 s PRO 93 N 1.61 0.01 0.47 4.92 0.04 -1.26 -5.06 135.00 135.73 1fd7 s PRO 93 Ca 0.01 0.55 -0.24 0.00 0.04 0.00 0.00 61.00 61.36 1fd7 s PRO 93 Cb -0.13 -1.69 -0.07 0.00 0.04 0.00 0.00 34.50 32.65 1fd7 s PRO 93 CO -0.05 -3.02 1.38 -0.80 0.04 0.00 0.00 177.00 174.54 1fd7 s ASN 94 N -3.25 5.79 -0.19 6.66 0.02 -1.15 -4.45 114.94 118.37 1fd7 s ASN 94 Ca 0.66 2.80 -0.13 0.00 -1.02 0.00 0.00 52.86 55.17 1fd7 s ASN 94 Cb -0.20 -2.64 -0.05 0.00 0.02 0.00 0.00 41.25 38.38 1fd7 s ASN 94 CO 0.59 -1.22 0.27 -0.55 0.02 0.00 0.00 177.10 176.21 1fd7 s SER 95 N -0.71 6.36 -0.04 -1.22 0.15 -0.78 -1.13 113.70 116.33 1fd7 s SER 95 Ca 0.63 0.42 -0.30 0.00 0.70 0.00 0.00 55.95 57.40 1fd7 s SER 95 Cb -0.41 -2.17 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 1fd7 s SER 95 CO 0.52 0.07 1.20 -0.63 1.20 0.00 0.00 173.24 175.60 1fd7 s ILE 96 N 0.71 4.23 -0.22 6.45 1.01 -0.10 0.02 121.20 133.28 1fd7 s ILE 96 Ca 0.15 1.56 0.08 0.00 0.00 0.00 0.00 60.65 62.43 1fd7 s ILE 96 Cb -0.13 -4.00 -0.19 0.00 0.01 0.00 0.00 42.46 38.15 1fd7 s ILE 96 CO 0.04 0.01 -0.11 0.00 0.00 0.00 0.00 174.94 174.88 1fd7 n ALA 97 N 5.08 1.49 -3.32 9.38 0.00 0.80 -4.87 120.51 129.06 1fd7 n ALA 97 Ca 0.11 -1.13 -0.12 0.00 0.00 0.00 0.00 53.44 52.30 1fd7 n ALA 97 Cb 0.46 -0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.48 -1.42 0.05 0.00 0.00 -1.02 -4.99 121.76 111.90 1fd7 s ALA 98 Ca -0.24 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.07 1fd7 s ALA 98 Cb 0.07 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 24.01 1fd7 s ALA 98 CO 0.65 -0.74 -0.07 -1.50 0.00 0.00 0.00 175.76 174.10 1fd7 s ILE 99 N -3.77 0.52 0.07 0.00 2.07 -1.26 -1.33 121.20 117.50 1fd7 s ILE 99 Ca 0.02 -1.25 0.02 0.00 -1.41 0.00 0.00 60.65 58.02 1fd7 s ILE 99 Cb -0.00 -0.82 -0.03 0.00 0.13 0.00 0.00 42.46 41.74 1fd7 s ILE 99 CO -0.12 -0.51 -0.07 -0.94 -1.91 0.00 0.00 174.94 171.39 1fd7 s SER 100 N -1.90 0.97 0.00 4.50 1.04 -0.33 -5.00 113.70 112.99 1fd7 s SER 100 Ca -0.06 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 55.64 1fd7 s SER 100 Cb -0.06 0.06 -0.00 0.00 0.10 0.00 0.00 66.02 66.11 1fd7 s SER 100 CO -0.01 -0.31 -0.03 -0.04 0.98 0.00 0.00 173.24 173.83 1fd7 s MET 101 N -2.53 0.23 0.02 4.02 -1.94 -1.26 -0.05 119.30 117.79 1fd7 s MET 101 Ca -0.01 -0.15 -0.07 0.00 -1.71 0.00 0.00 55.69 53.76 1fd7 s MET 101 Cb -0.04 -0.20 -0.00 0.00 2.01 0.00 0.00 34.83 36.60 1fd7 s MET 101 CO -0.02 0.05 0.13 -1.59 -0.01 0.00 0.00 175.02 173.59 1fd7 s LYS 102 N -0.19 0.54 0.00 2.03 -2.85 -1.26 -4.88 119.74 113.12 1fd7 s LYS 102 Ca -0.00 -0.52 0.00 0.00 -1.00 0.00 0.00 55.97 54.45 1fd7 s LYS 102 Cb -0.02 0.22 0.00 0.00 -2.06 0.00 0.00 37.83 35.97 1fd7 s LYS 102 CO -0.00 -0.13 0.00 0.27 0.10 0.00 0.00 175.35 175.59