#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 2.42 0.00 0.00 0.02 -1.26 -4.95 135.00 131.23 1fd7 s PRO 2 Ca 0.00 2.03 0.12 0.00 0.02 0.00 0.00 61.00 63.17 1fd7 s PRO 2 Cb 0.00 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.59 1fd7 s PRO 2 CO 0.00 -1.69 0.55 1.04 -0.33 0.00 0.00 177.00 176.57 1fd7 n GLN 3 N -2.10 2.84 -4.07 5.54 6.02 -1.26 -4.97 117.38 119.38 1fd7 n GLN 3 Ca 0.16 -0.17 -0.09 0.00 -0.01 0.00 0.00 57.00 56.88 1fd7 n GLN 3 Cb 0.48 -1.08 -0.09 0.00 1.02 0.00 0.00 30.24 30.58 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 -1.97 0.12 0.37 5.09 -4.23 -1.26 -5.04 115.64 108.71 1fd7 s THR 4 Ca 0.06 -1.71 0.09 0.00 -1.18 0.00 0.00 61.69 58.95 1fd7 s THR 4 Cb 0.09 -1.84 0.13 0.00 1.34 0.00 0.00 72.50 72.21 1fd7 s THR 4 CO 0.44 -0.53 1.86 -0.29 -0.54 0.00 0.00 174.62 175.56 1fd7 h ILE 5 N 2.83 1.21 -0.37 2.99 2.10 -1.96 -2.12 117.51 122.19 1fd7 h ILE 5 Ca -0.34 -0.98 -0.14 0.00 1.08 0.00 0.00 64.86 64.48 1fd7 h ILE 5 Cb 1.20 1.36 -0.01 0.00 -1.09 0.00 0.00 36.82 38.28 1fd7 h ILE 5 CO 0.57 0.30 -0.31 0.74 -1.08 0.00 0.00 178.15 178.38 1fd7 h THR 6 N 0.19 1.28 0.15 2.19 2.02 -1.98 0.15 112.91 116.92 1fd7 h THR 6 Ca 0.03 -1.47 0.01 0.00 0.77 0.00 0.00 66.41 65.75 1fd7 h THR 6 Cb 0.49 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 1fd7 h THR 6 CO 0.03 0.49 -0.16 -0.08 0.37 0.00 0.00 175.52 176.17 1fd7 h GLU 7 N 0.66 -0.33 -0.60 6.66 4.81 -1.90 -0.69 114.58 123.19 1fd7 h GLU 7 Ca 0.07 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1fd7 h GLU 7 Cb 0.89 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.31 1fd7 h GLU 7 CO 0.08 -0.22 0.39 1.25 -0.73 0.00 0.00 179.01 179.78 1fd7 h LEU 8 N -0.35 0.68 -1.35 1.64 6.46 -1.29 -2.30 115.31 118.80 1fd7 h LEU 8 Ca 0.01 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 1fd7 h LEU 8 Cb 0.33 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 1fd7 h LEU 8 CO -0.05 0.49 -0.05 0.00 -0.62 0.00 0.00 178.44 178.21 1fd7 n SER 10 N -4.29 0.00 0.08 0.00 3.41 -0.29 -2.47 113.62 110.05 1fd7 n SER 10 Ca 0.00 0.08 0.13 0.00 -0.26 0.00 0.00 58.87 58.83 1fd7 n SER 10 Cb 0.24 -0.31 0.45 0.00 -0.26 0.00 0.00 64.21 64.33 1fd7 n SER 10 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1fd7 n GLU 11 N -1.31 0.20 -4.32 4.33 1.02 -0.79 -4.86 120.64 114.91 1fd7 n GLU 11 Ca 0.08 0.16 -0.31 0.00 -0.02 0.00 0.00 57.16 57.07 1fd7 n GLU 11 Cb 0.16 -1.73 -0.10 0.00 -0.02 0.00 0.00 31.44 29.75 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 -3.08 2.86 0.59 -0.32 1.51 -1.03 -5.13 117.35 112.74 1fd7 s TYR 12 Ca 0.11 -0.08 -0.04 0.00 -1.01 0.00 0.00 57.07 56.05 1fd7 s TYR 12 Cb 0.14 -1.53 0.02 0.00 -0.11 0.00 0.00 41.96 40.47 1fd7 s TYR 12 CO 0.59 0.41 0.87 1.03 -1.11 0.00 0.00 175.55 177.34 1fd7 s ARG 13 N -1.86 2.77 -1.05 -0.62 0.52 -1.26 -4.13 118.95 113.31 1fd7 s ARG 13 Ca 0.20 -0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 1fd7 s ARG 13 Cb -0.11 -2.32 0.00 0.00 0.52 0.00 0.00 34.95 33.04 1fd7 s ARG 13 CO 0.12 -0.73 0.00 0.09 0.02 0.00 0.00 175.30 174.79 1fd7 n ASN 14 N -2.54 -3.92 -4.48 0.23 3.02 -1.26 -4.95 115.26 101.35 1fd7 n ASN 14 Ca 0.05 0.10 -0.24 0.00 -0.03 0.00 0.00 54.58 54.47 1fd7 n ASN 14 Cb 0.58 -2.86 -0.10 0.00 -0.61 0.00 0.00 39.78 36.79 1fd7 n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1fd7 s THR 15 N -2.50 2.11 0.12 3.41 -4.23 -1.26 -0.16 115.64 113.13 1fd7 s THR 15 Ca 0.00 -2.24 -0.21 0.00 -1.18 0.00 0.00 61.69 58.06 1fd7 s THR 15 Cb 0.00 -2.46 0.06 0.00 1.34 0.00 0.00 72.50 71.44 1fd7 s THR 15 CO 0.00 -0.31 0.54 0.00 -0.54 0.00 0.00 174.62 174.31 1fd7 s GLN 16 N -3.62 1.18 -0.18 3.99 -2.07 -0.37 -4.90 119.66 113.69 1fd7 s GLN 16 Ca 0.30 -0.46 -0.15 0.00 -1.82 0.00 0.00 55.36 53.24 1fd7 s GLN 16 Cb 0.01 0.54 -0.04 0.00 -1.09 0.00 0.00 33.01 32.42 1fd7 s GLN 16 CO 0.14 -0.48 0.34 0.42 -1.32 0.00 0.00 175.29 174.38 1fd7 s ILE 17 N -3.44 5.26 -0.18 3.63 -1.09 -1.26 -1.45 121.20 122.68 1fd7 s ILE 17 Ca -0.00 0.61 -0.06 0.00 -2.23 0.00 0.00 60.65 58.96 1fd7 s ILE 17 Cb -0.00 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 1fd7 s ILE 17 CO -0.10 0.33 0.03 -0.31 -1.23 0.00 0.00 174.94 173.66 1fd7 s TYR 18 N 0.85 3.18 -0.40 3.97 1.51 -0.00 -4.98 117.35 121.48 1fd7 s TYR 18 Ca 0.17 -0.06 -0.20 0.00 -1.01 0.00 0.00 57.07 55.98 1fd7 s TYR 18 Cb -0.14 -2.05 0.01 0.00 -0.11 0.00 0.00 41.96 39.68 1fd7 s TYR 18 CO 0.06 0.08 0.58 0.99 -1.11 0.00 0.00 175.55 176.15 1fd7 s THR 19 N 0.41 4.92 -0.18 -0.71 2.01 -1.26 -1.45 115.64 119.37 1fd7 s THR 19 Ca 0.01 0.17 -0.14 0.00 0.31 0.00 0.00 61.69 62.03 1fd7 s THR 19 Cb -0.13 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.19 1fd7 s THR 19 CO 0.01 -0.44 -0.11 -0.38 -0.69 0.00 0.00 174.62 173.01 1fd7 n ILE 20 N 5.65 1.47 -3.82 1.82 2.08 0.59 -4.99 119.36 122.16 1fd7 n ILE 20 Ca -0.03 0.08 -0.27 0.00 0.56 0.00 0.00 62.75 63.09 1fd7 n ILE 20 Cb 0.48 -2.24 0.01 0.00 -0.75 0.00 0.00 39.64 37.14 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 -4.51 -2.20 -3.55 4.38 4.05 -0.41 -4.95 115.26 108.08 1fd7 n ASN 21 Ca -0.20 -0.99 -0.08 0.00 0.45 0.00 0.00 54.58 53.76 1fd7 n ASN 21 Cb 0.48 -3.30 -0.03 0.00 1.23 0.00 0.00 39.78 38.16 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 -4.05 -0.32 0.78 1.20 2.15 -0.99 -4.93 116.67 110.50 1fd7 s ASP 22 Ca 0.17 0.15 -0.11 0.00 0.43 0.00 0.00 52.55 53.19 1fd7 s ASP 22 Cb -0.06 0.31 0.06 0.00 -0.30 0.00 0.00 42.92 42.92 1fd7 s ASP 22 CO 0.87 -0.44 1.10 -1.59 -0.17 0.00 0.00 175.17 174.93 1fd7 s LYS 23 N -2.21 2.24 0.14 4.34 -2.85 -1.26 -1.09 119.74 119.06 1fd7 s LYS 23 Ca 0.03 0.62 -0.30 0.00 -1.00 0.00 0.00 55.97 55.32 1fd7 s LYS 23 Cb -0.01 -1.94 -0.08 0.00 -2.06 0.00 0.00 37.83 33.75 1fd7 s LYS 23 CO -0.04 -1.50 1.25 0.42 0.10 0.00 0.00 175.35 175.57 1fd7 s ILE 24 N -3.19 3.57 -0.02 3.79 1.01 -1.26 -4.78 121.20 120.32 1fd7 s ILE 24 Ca 0.60 1.23 -0.15 0.00 0.00 0.00 0.00 60.65 62.33 1fd7 s ILE 24 Cb -0.14 -3.78 -0.33 0.00 0.01 0.00 0.00 42.46 38.22 1fd7 s ILE 24 CO 0.54 0.15 0.84 0.25 0.00 0.00 0.00 174.94 176.72 1fd7 h LEU 25 N 5.94 0.70 -7.85 2.97 5.85 -1.32 -3.47 115.31 118.12 1fd7 h LEU 25 Ca -0.43 -0.93 -0.18 0.00 0.84 0.00 0.00 57.88 57.18 1fd7 h LEU 25 Cb 1.21 -0.23 -0.23 0.00 0.37 0.00 0.00 40.66 41.79 1fd7 h LEU 25 CO 0.79 1.70 -0.64 -0.94 -0.34 0.00 0.00 178.44 179.01 1fd7 s SER 26 N -7.39 0.11 -0.11 1.25 1.04 -1.13 -4.99 113.70 102.49 1fd7 s SER 26 Ca -0.13 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.05 1fd7 s SER 26 Cb 0.04 0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.30 1fd7 s SER 26 CO 0.89 -0.24 -0.15 -0.47 0.98 0.00 0.00 173.24 174.26 1fd7 s TYR 27 N -1.04 1.95 -0.04 5.02 5.04 -1.26 -2.18 117.35 124.84 1fd7 s TYR 27 Ca -0.11 -0.93 0.04 0.00 -2.44 0.00 0.00 57.07 53.63 1fd7 s TYR 27 Cb -0.07 -1.42 -0.00 0.00 0.35 0.00 0.00 41.96 40.82 1fd7 s TYR 27 CO -0.00 -0.49 -0.16 0.99 -1.34 0.00 0.00 175.55 174.55 1fd7 s THR 28 N 1.06 1.34 -0.04 4.34 2.01 -0.46 -5.01 115.64 118.87 1fd7 s THR 28 Ca -0.05 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.29 1fd7 s THR 28 Cb -0.15 -1.15 0.02 0.00 0.01 0.00 0.00 72.50 71.23 1fd7 s THR 28 CO -0.03 0.39 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.54 1fd7 s GLU 29 N 0.04 0.90 -0.05 4.92 2.12 -1.26 -1.01 118.70 124.35 1fd7 s GLU 29 Ca -0.03 -0.16 0.04 0.00 0.36 0.00 0.00 54.97 55.18 1fd7 s GLU 29 Cb -0.11 -0.86 -0.00 0.00 0.26 0.00 0.00 34.13 33.41 1fd7 s GLU 29 CO 0.02 -0.04 -0.18 0.45 -0.54 0.00 0.00 175.26 174.97 1fd7 s SER 30 N 0.76 2.26 -0.08 -1.70 0.15 -0.48 -4.98 113.70 109.62 1fd7 s SER 30 Ca -0.11 -0.37 0.14 0.00 0.70 0.00 0.00 55.95 56.31 1fd7 s SER 30 Cb -0.14 -0.70 0.46 0.00 -1.71 0.00 0.00 66.02 63.94 1fd7 s SER 30 CO 0.01 0.15 1.38 1.15 1.20 0.00 0.00 173.24 177.13 1fd7 n MET 31 N 3.22 3.05 -2.16 5.44 0.00 -1.26 -2.15 117.12 123.26 1fd7 n MET 31 Ca -0.19 -2.49 -0.39 0.00 0.00 0.00 0.00 57.70 54.64 1fd7 n MET 31 Cb 0.53 -1.59 -0.01 0.00 0.00 0.00 0.00 33.22 32.15 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 -1.80 3.19 0.18 3.17 0.00 -1.26 -4.84 121.76 120.41 1fd7 s ALA 32 Ca 0.35 1.11 -0.31 0.00 0.00 0.00 0.00 51.96 53.11 1fd7 s ALA 32 Cb 0.24 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.81 1fd7 s ALA 32 CO 0.15 -0.71 1.58 0.20 0.00 0.00 0.00 175.76 176.99 1fd7 s GLY 33 N -0.93 1.59 0.00 0.00 0.00 -1.26 -0.81 107.32 105.90 1fd7 s GLY 33 Ca 0.57 1.41 0.00 0.00 0.00 0.00 0.00 44.72 46.71 1fd7 s GLY 33 CO 0.44 2.64 0.00 0.28 0.00 0.00 0.00 173.10 176.46 1fd7 n LYS 34 N 3.76 0.00 -2.43 2.90 4.76 -1.26 -4.82 118.16 121.08 1fd7 n LYS 34 Ca 0.13 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.41 1fd7 n LYS 34 Cb 0.38 -2.30 0.03 0.00 -1.84 0.00 0.00 35.03 31.29 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 2.72 -2.55 1.97 5.12 0.01 -4.97 116.66 116.95 1fd7 n ARG 35 Ca 0.00 -3.93 -0.41 0.00 -1.93 0.00 0.00 57.85 51.58 1fd7 n ARG 35 Cb 0.00 -1.94 -0.02 0.00 -1.16 0.00 0.00 32.46 29.33 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 -3.57 3.64 0.27 5.56 8.01 -1.13 -4.21 118.70 127.26 1fd7 s GLU 36 Ca 0.40 -1.28 -0.12 0.00 0.01 0.00 0.00 54.97 53.98 1fd7 s GLU 36 Cb 0.39 -5.39 0.00 0.00 -4.31 0.00 0.00 34.13 24.82 1fd7 s GLU 36 CO -0.03 -2.26 0.51 0.00 0.01 0.00 0.00 175.26 173.49 1fd7 s MET 37 N 4.89 1.64 -0.01 1.61 0.23 -0.92 -4.20 119.30 122.54 1fd7 s MET 37 Ca 0.48 -1.30 0.06 0.00 -1.03 0.00 0.00 55.69 53.90 1fd7 s MET 37 Cb 0.01 0.48 -0.02 0.00 -1.53 0.00 0.00 34.83 33.77 1fd7 s MET 37 CO -0.06 -0.69 -0.20 0.08 -2.03 0.00 0.00 175.02 172.12 1fd7 s VAL 38 N -3.82 1.54 -0.03 5.16 1.01 -1.22 -1.38 120.40 121.66 1fd7 s VAL 38 Ca 0.22 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.38 1fd7 s VAL 38 Cb -0.01 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1fd7 s VAL 38 CO 0.10 0.40 -0.21 -0.63 0.00 0.00 0.00 175.10 174.76 1fd7 s ILE 39 N -0.51 1.67 0.09 2.22 1.01 -0.18 -0.77 121.20 124.72 1fd7 s ILE 39 Ca 0.07 -0.88 0.07 0.00 0.00 0.00 0.00 60.65 59.91 1fd7 s ILE 39 Cb -0.08 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 1fd7 s ILE 39 CO -0.00 0.47 -0.17 0.27 0.00 0.00 0.00 174.94 175.50 1fd7 s ILE 40 N -0.30 1.42 0.23 2.92 -4.36 0.45 -1.36 121.20 120.20 1fd7 s ILE 40 Ca 0.03 -1.46 0.05 0.00 -0.26 0.00 0.00 60.65 59.02 1fd7 s ILE 40 Cb -0.10 -1.34 -0.05 0.00 1.25 0.00 0.00 42.46 42.22 1fd7 s ILE 40 CO 0.01 -0.17 -0.06 0.42 0.24 0.00 0.00 174.94 175.38 1fd7 s THR 41 N -1.30 1.35 0.21 8.37 -4.23 -0.93 -0.61 115.64 118.50 1fd7 s THR 41 Ca 0.03 -2.09 0.05 0.00 -1.18 0.00 0.00 61.69 58.50 1fd7 s THR 41 Cb -0.10 -2.24 -0.05 0.00 1.34 0.00 0.00 72.50 71.45 1fd7 s THR 41 CO 0.03 -0.43 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.24 1fd7 s PHE 42 N -3.21 1.58 -0.05 3.99 0.08 -0.47 -0.82 117.98 119.09 1fd7 s PHE 42 Ca 0.26 -0.74 0.29 0.00 0.12 0.00 0.00 56.93 56.86 1fd7 s PHE 42 Cb 0.04 -0.83 1.41 0.00 -0.57 0.00 0.00 43.02 43.07 1fd7 s PHE 42 CO 0.08 0.16 1.88 0.87 -0.10 0.00 0.00 175.22 178.12 1fd7 h LYS 43 N 2.56 0.00 0.00 0.44 1.57 -1.89 -1.65 116.57 117.60 1fd7 h LYS 43 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1fd7 h LYS 43 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1fd7 h LYS 43 CO 0.64 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.18 1fd7 h SER 44 N 0.00 0.00 0.00 0.86 4.64 -1.98 -3.46 113.55 113.61 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 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 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 -0.70 0.55 3.81 -0.77 0.00 -0.62 -5.08 105.19 102.38 1fd7 n GLY 45 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.87 4.31 -0.04 1.61 0.41 -1.25 -4.88 118.70 117.98 1fd7 s GLU 46 Ca 0.00 0.96 0.03 0.00 -0.41 0.00 0.00 54.97 55.55 1fd7 s GLU 46 Cb 0.00 -2.82 0.00 0.00 -1.78 0.00 0.00 34.13 29.53 1fd7 s GLU 46 CO 0.00 0.35 -0.13 0.99 -0.49 0.00 0.00 175.26 175.98 1fd7 s THR 47 N -1.58 1.14 0.07 3.63 2.01 -1.26 -1.36 115.64 118.28 1fd7 s THR 47 Ca 0.46 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.96 1fd7 s THR 47 Cb -0.16 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.31 1fd7 s THR 47 CO 0.21 0.34 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.02 1fd7 s PHE 48 N 0.28 0.97 0.24 4.92 0.08 0.22 -3.89 117.98 120.79 1fd7 s PHE 48 Ca -0.07 -0.57 0.10 0.00 0.12 0.00 0.00 56.93 56.50 1fd7 s PHE 48 Cb -0.12 -0.55 -0.05 0.00 -0.57 0.00 0.00 43.02 41.74 1fd7 s PHE 48 CO 0.02 -0.02 -0.17 1.14 -0.10 0.00 0.00 175.22 176.09 1fd7 s GLN 49 N -2.21 1.48 -0.32 0.44 -2.07 -0.45 -0.41 119.66 116.11 1fd7 s GLN 49 Ca -0.01 -1.67 -0.10 0.00 -1.82 0.00 0.00 55.36 51.76 1fd7 s GLN 49 Cb -0.06 -1.40 -0.00 0.00 -1.09 0.00 0.00 33.01 30.45 1fd7 s GLN 49 CO 0.00 0.25 0.17 0.08 -1.32 0.00 0.00 175.29 174.47 1fd7 s VAL 50 N -2.78 4.70 0.82 3.63 1.01 0.05 -1.08 120.40 126.76 1fd7 s VAL 50 Ca 0.26 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 1fd7 s VAL 50 Cb -0.03 -3.43 0.09 0.00 0.00 0.00 0.00 36.38 33.01 1fd7 s VAL 50 CO 0.10 0.01 1.17 -1.61 0.00 0.00 0.00 175.10 174.78 1fd7 s GLU 51 N 1.62 1.58 0.43 2.72 2.02 -1.26 -3.41 118.70 122.40 1fd7 s GLU 51 Ca 0.04 1.63 -0.25 0.00 0.02 0.00 0.00 54.97 56.41 1fd7 s GLU 51 Cb -0.17 -1.78 -0.08 0.00 0.10 0.00 0.00 34.13 32.19 1fd7 s GLU 51 CO 0.07 -2.23 1.33 0.08 0.02 0.00 0.00 175.26 174.53 1fd7 s VAL 52 N -2.36 2.48 0.25 2.63 1.01 -1.26 -4.90 120.40 118.24 1fd7 s VAL 52 Ca 0.70 0.42 -0.30 0.00 0.00 0.00 0.00 61.98 62.80 1fd7 s VAL 52 Cb -0.25 -3.24 -0.10 0.00 0.00 0.00 0.00 36.38 32.78 1fd7 s VAL 52 CO 0.52 0.05 1.48 -2.84 0.00 0.00 0.00 175.10 174.31 1fd7 s PRO 53 N -2.37 4.24 0.00 2.72 0.02 -1.26 -4.96 135.00 133.39 1fd7 s PRO 53 Ca 0.59 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.96 1fd7 s PRO 53 Cb -0.39 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.03 1fd7 s PRO 53 CO 0.50 -0.47 0.00 0.41 -0.33 0.00 0.00 177.00 177.11 1fd7 n GLY 54 N 2.34 2.80 0.34 0.52 0.00 -1.26 -5.03 105.19 104.89 1fd7 n GLY 54 Ca 0.08 -1.25 0.17 0.00 0.00 0.00 0.00 46.02 45.01 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 0.70 1.61 0.02 -2.04 -0.54 113.55 113.31 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 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1fd7 n GLN 56 N -4.09 0.18 -3.67 3.45 0.00 -1.26 -4.79 117.38 107.20 1fd7 n GLN 56 Ca 0.03 0.42 -0.34 0.00 0.00 0.00 0.00 57.00 57.11 1fd7 n GLN 56 Cb 0.37 -1.85 -0.05 0.00 0.00 0.00 0.00 30.24 28.71 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 -3.30 3.55 0.46 2.61 3.76 -0.21 -5.09 115.29 117.06 1fd7 s HIS 57 Ca 0.04 0.64 0.04 0.00 -0.15 0.00 0.00 55.06 55.63 1fd7 s HIS 57 Cb 0.09 -2.05 0.01 0.00 1.11 0.00 0.00 32.58 31.74 1fd7 s HIS 57 CO 0.38 0.52 0.65 0.96 -0.85 0.00 0.00 174.74 176.40 1fd7 s ILE 58 N -1.45 3.32 0.28 0.60 -4.36 -1.26 -4.92 121.20 113.42 1fd7 s ILE 58 Ca 0.34 -0.76 -0.03 0.00 -0.26 0.00 0.00 60.65 59.94 1fd7 s ILE 58 Cb -0.13 -3.19 0.24 0.00 1.25 0.00 0.00 42.46 40.63 1fd7 s ILE 58 CO 0.20 -0.11 1.93 0.44 0.24 0.00 0.00 174.94 177.64 1fd7 h ASP 59 N 0.43 0.98 -0.01 4.36 3.32 -1.99 -1.16 116.42 122.35 1fd7 h ASP 59 Ca -0.43 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1fd7 h ASP 59 Cb 1.27 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 1fd7 h ASP 59 CO 0.52 0.74 0.05 0.77 -1.72 0.00 0.00 179.24 179.60 1fd7 h SER 60 N 1.13 0.00 1.10 6.45 4.64 -2.05 -1.13 113.55 123.70 1fd7 h SER 60 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1fd7 h SER 60 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1fd7 h SER 60 CO -0.06 0.00 -0.27 0.00 -0.87 0.00 0.00 176.83 175.64 1fd7 n GLN 61 N -3.22 0.21 0.09 4.77 6.02 -0.44 -4.23 117.38 120.59 1fd7 n GLN 61 Ca -0.03 0.12 -0.12 0.00 -0.01 0.00 0.00 57.00 56.96 1fd7 n GLN 61 Cb 0.12 -1.69 -0.05 0.00 1.02 0.00 0.00 30.24 29.63 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 -0.46 -0.02 -1.09 1.57 -1.30 0.21 116.57 115.48 1fd7 h LYS 62 Ca 0.00 0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1fd7 h LYS 62 Cb 0.68 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1fd7 h LYS 62 CO 0.00 -0.31 -0.35 0.87 -0.57 0.00 0.00 179.45 179.09 1fd7 h LYS 63 N -0.48 0.04 -0.03 3.15 1.57 -1.79 -2.87 116.57 116.17 1fd7 h LYS 63 Ca 0.04 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.63 1fd7 h LYS 63 Cb 0.52 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1fd7 h LYS 63 CO -0.19 0.39 -0.77 0.00 -0.57 0.00 0.00 179.45 178.30 1fd7 h ALA 64 N 1.61 0.64 -0.33 3.86 0.00 -1.61 0.67 119.26 124.10 1fd7 h ALA 64 Ca 0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 1fd7 h ALA 64 Cb 0.64 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1fd7 h ALA 64 CO 0.05 0.84 0.13 0.82 0.00 0.00 0.00 179.25 181.09 1fd7 h ILE 65 N 0.14 1.19 -0.52 0.00 2.04 -0.82 0.91 117.51 120.44 1fd7 h ILE 65 Ca -0.03 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.19 1fd7 h ILE 65 Cb 1.35 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 1fd7 h ILE 65 CO 0.12 0.20 0.08 -0.33 0.00 0.00 0.00 178.15 178.22 1fd7 h GLU 66 N 0.38 0.83 -0.41 2.37 4.39 -1.28 -2.34 114.58 118.53 1fd7 h GLU 66 Ca 0.11 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 1fd7 h GLU 66 Cb 0.20 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1fd7 h GLU 66 CO -0.01 0.79 0.09 -0.09 -1.16 0.00 0.00 179.01 178.63 1fd7 h ARG 67 N 0.79 0.65 -0.91 2.33 2.43 -0.57 -1.42 114.38 117.69 1fd7 h ARG 67 Ca 0.17 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1fd7 h ARG 67 Cb 0.37 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 1fd7 h ARG 67 CO 0.01 0.68 0.60 1.98 -1.51 0.00 0.00 179.97 181.72 1fd7 h MET 68 N 0.52 1.14 -0.56 0.20 4.05 -0.46 0.52 114.93 120.34 1fd7 h MET 68 Ca 0.13 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 59.40 1fd7 h MET 68 Cb 0.32 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 1fd7 h MET 68 CO 0.00 0.76 0.04 0.87 0.23 0.00 0.00 176.91 178.81 1fd7 h LYS 69 N 1.18 0.96 -0.60 0.39 1.57 -1.18 -0.13 116.57 118.75 1fd7 h LYS 69 Ca 0.35 -0.29 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 1fd7 h LYS 69 Cb -0.05 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.12 1fd7 h LYS 69 CO -0.10 0.95 0.33 -0.44 -0.57 0.00 0.00 179.45 179.61 1fd7 h ASP 70 N 0.85 0.49 -0.63 0.86 3.32 -0.61 -1.78 116.42 118.93 1fd7 h ASP 70 Ca 0.16 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 1fd7 h ASP 70 Cb 0.49 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1fd7 h ASP 70 CO 0.02 0.33 0.23 0.74 -1.72 0.00 0.00 179.24 178.84 1fd7 h THR 71 N 0.62 1.24 -0.21 0.35 2.02 -0.49 -2.05 112.91 114.39 1fd7 h THR 71 Ca 0.27 -0.77 -0.07 0.00 0.77 0.00 0.00 66.41 66.60 1fd7 h THR 71 Cb 0.15 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1fd7 h THR 71 CO -0.16 0.30 -0.20 -0.07 0.37 0.00 0.00 175.52 175.76 1fd7 h LEU 72 N 0.88 0.35 -0.08 2.58 3.38 -0.70 -0.69 115.31 121.03 1fd7 h LEU 72 Ca 0.21 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1fd7 h LEU 72 Cb 0.23 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1fd7 h LEU 72 CO -0.01 0.57 -0.02 -0.09 0.09 0.00 0.00 178.44 178.97 1fd7 h ARG 73 N 0.33 0.16 0.00 1.13 2.43 -1.07 0.10 114.38 117.46 1fd7 h ARG 73 Ca 0.06 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 1fd7 h ARG 73 Cb 0.54 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1fd7 h ARG 73 CO 0.04 0.48 -0.53 0.97 -1.51 0.00 0.00 179.97 179.42 1fd7 h ILE 74 N -0.18 1.35 -0.40 1.20 6.09 -1.27 -1.41 117.51 122.89 1fd7 h ILE 74 Ca 0.02 -1.83 -0.01 0.00 -1.37 0.00 0.00 64.86 61.67 1fd7 h ILE 74 Cb 0.43 2.00 -0.02 0.00 0.47 0.00 0.00 36.82 39.69 1fd7 h ILE 74 CO 0.01 0.52 0.19 0.74 -3.07 0.00 0.00 178.15 176.54 1fd7 h THR 75 N 0.00 1.17 0.68 2.19 2.02 -1.05 -1.73 112.91 116.19 1fd7 h THR 75 Ca -0.01 -0.48 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 1fd7 h THR 75 Cb 0.95 0.76 0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1fd7 h THR 75 CO 0.07 0.18 -0.33 0.22 0.37 0.00 0.00 175.52 176.04 1fd7 h TYR 76 N 0.50 -0.84 -0.79 3.16 3.20 -0.65 -1.33 116.97 120.23 1fd7 h TYR 76 Ca 0.14 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.15 1fd7 h TYR 76 Cb 0.11 0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.61 1fd7 h TYR 76 CO -0.01 -0.50 0.53 -0.07 -1.64 0.00 0.00 178.16 176.46 1fd7 h LEU 77 N -0.99 0.36 -1.28 2.82 3.38 -1.21 -1.75 115.31 116.64 1fd7 h LEU 77 Ca -0.09 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1fd7 h LEU 77 Cb 0.72 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1fd7 h LEU 77 CO 0.15 0.17 -0.08 0.35 0.09 0.00 0.00 178.44 179.13 1fd7 n THR 78 N -4.47 0.00 -3.05 0.22 -2.24 -0.66 -4.95 114.28 99.13 1fd7 n THR 78 Ca 0.16 -0.33 -0.23 0.00 -2.27 0.00 0.00 64.05 61.38 1fd7 n THR 78 Cb 0.59 0.94 0.03 0.00 -2.10 0.00 0.00 70.33 69.80 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 0.51 -4.88 -2.61 -0.78 1.02 -0.55 -4.93 120.64 108.41 1fd7 n GLU 79 Ca 0.15 0.89 -0.42 0.00 -0.02 0.00 0.00 57.16 57.77 1fd7 n GLU 79 Cb 0.46 -5.75 -0.03 0.00 -0.02 0.00 0.00 31.44 26.09 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 -3.17 4.42 0.01 2.62 2.01 -0.89 -4.75 115.64 115.89 1fd7 s THR 80 Ca 0.31 1.83 -0.30 0.00 0.31 0.00 0.00 61.69 63.85 1fd7 s THR 80 Cb -0.14 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.14 1fd7 s THR 80 CO 0.39 0.20 1.30 -0.54 -0.69 0.00 0.00 174.62 175.27 1fd7 s LYS 81 N 0.61 4.34 0.10 4.92 1.02 -1.26 -4.39 119.74 125.07 1fd7 s LYS 81 Ca 0.52 1.85 -0.23 0.00 0.02 0.00 0.00 55.97 58.13 1fd7 s LYS 81 Cb -0.25 -3.49 -0.07 0.00 -0.52 0.00 0.00 37.83 33.50 1fd7 s LYS 81 CO 0.30 -0.46 0.71 0.42 -0.92 0.00 0.00 175.35 175.40 1fd7 s ILE 82 N 1.93 4.60 0.00 2.17 1.01 -0.25 -4.19 121.20 126.47 1fd7 s ILE 82 Ca 0.60 1.54 0.00 0.00 0.00 0.00 0.00 60.65 62.79 1fd7 s ILE 82 Cb -0.30 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.11 1fd7 s ILE 82 CO 0.26 0.48 0.00 -0.67 0.00 0.00 0.00 174.94 175.01 1fd7 n ASP 83 N 2.07 0.00 -4.44 3.58 -0.08 0.79 -1.28 116.55 117.18 1fd7 n ASP 83 Ca -0.06 0.15 -0.22 0.00 -1.51 0.00 0.00 54.79 53.15 1fd7 n ASP 83 Cb 0.50 -0.24 -0.10 0.00 2.34 0.00 0.00 41.12 43.62 1fd7 n ASP 83 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1fd7 s LYS 84 N -0.48 1.59 -0.08 -0.67 1.02 -1.14 -0.30 119.74 119.68 1fd7 s LYS 84 Ca 0.00 -1.76 0.02 0.00 0.02 0.00 0.00 55.97 54.25 1fd7 s LYS 84 Cb 0.00 -1.44 0.01 0.00 -0.52 0.00 0.00 37.83 35.89 1fd7 s LYS 84 CO 0.00 0.18 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.98 1fd7 s LEU 85 N -3.46 1.60 -0.25 3.17 1.43 -0.53 -1.17 118.68 119.46 1fd7 s LEU 85 Ca 0.28 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 52.91 1fd7 s LEU 85 Cb -0.00 -0.86 -0.03 0.00 0.03 0.00 0.00 46.19 45.33 1fd7 s LEU 85 CO 0.12 0.01 0.42 0.00 0.23 0.00 0.00 176.35 177.14 1fd7 s VAL 87 N 1.93 1.10 -0.04 0.00 -7.23 -0.53 -0.27 120.40 115.36 1fd7 s VAL 87 Ca 0.18 -1.29 -0.27 0.00 -1.81 0.00 0.00 61.98 58.80 1fd7 s VAL 87 Cb -0.15 -1.06 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 1fd7 s VAL 87 CO 0.09 -0.22 0.83 0.26 -0.31 0.00 0.00 175.10 175.76 1fd7 s TRP 88 N -1.26 3.61 -0.28 2.82 0.51 0.91 -1.24 118.94 124.01 1fd7 s TRP 88 Ca -0.02 1.46 0.12 0.00 -2.12 0.00 0.00 56.10 55.53 1fd7 s TRP 88 Cb -0.10 -2.96 0.77 0.00 -0.81 0.00 0.00 33.47 30.37 1fd7 s TRP 88 CO 0.02 0.03 1.77 0.27 -0.51 0.00 0.00 176.95 178.53 1fd7 n ASN 89 N 3.91 5.17 -1.18 2.95 0.23 0.77 -1.75 115.26 125.37 1fd7 n ASN 89 Ca 0.02 -3.11 0.08 0.00 -0.53 0.00 0.00 54.58 51.04 1fd7 n ASN 89 Cb 0.51 -0.71 0.30 0.00 -2.08 0.00 0.00 39.78 37.79 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 0.14 4.36 -4.05 0.53 6.94 -1.26 -4.95 115.26 116.97 1fd7 n ASN 90 Ca 0.35 -3.02 -0.08 0.00 -0.02 0.00 0.00 54.58 51.81 1fd7 n ASN 90 Cb 1.29 -0.59 -0.10 0.00 -2.36 0.00 0.00 39.78 38.02 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 -2.83 0.51 -0.07 -3.83 -0.14 -1.26 -5.09 119.74 107.02 1fd7 s LYS 91 Ca 0.46 -1.01 0.01 0.00 -1.36 0.00 0.00 55.97 54.07 1fd7 s LYS 91 Cb 0.37 0.18 0.02 0.00 -1.68 0.00 0.00 37.83 36.71 1fd7 s LYS 91 CO 0.11 -0.09 -0.07 0.99 -0.76 0.00 0.00 175.35 175.52 1fd7 s THR 92 N -3.07 0.84 0.96 2.17 2.01 -1.26 -2.74 115.64 114.55 1fd7 s THR 92 Ca -0.01 -0.25 -0.11 0.00 0.31 0.00 0.00 61.69 61.63 1fd7 s THR 92 Cb 0.02 -0.84 0.17 0.00 0.01 0.00 0.00 72.50 71.86 1fd7 s THR 92 CO -0.07 0.31 1.12 -2.84 -0.69 0.00 0.00 174.62 172.45 1fd7 s PRO 93 N 1.15 0.64 0.57 4.92 0.02 -1.26 -5.05 135.00 135.99 1fd7 s PRO 93 Ca -0.06 1.36 -0.20 0.00 0.02 0.00 0.00 61.00 62.13 1fd7 s PRO 93 Cb -0.14 -1.70 -0.05 0.00 0.02 0.00 0.00 34.50 32.63 1fd7 s PRO 93 CO -0.01 -2.83 1.03 0.09 -0.33 0.00 0.00 177.00 174.95 1fd7 n ASN 94 N -4.36 1.13 -4.52 2.53 5.03 -1.11 -4.49 115.26 109.47 1fd7 n ASN 94 Ca 0.10 0.86 -0.35 0.00 0.87 0.00 0.00 54.58 56.05 1fd7 n ASN 94 Cb 0.53 -1.42 -0.11 0.00 -1.02 0.00 0.00 39.78 37.76 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 -1.15 5.22 0.01 6.41 0.15 -0.72 -1.34 113.70 122.27 1fd7 s SER 95 Ca 0.74 -0.09 -0.30 0.00 0.70 0.00 0.00 55.95 57.00 1fd7 s SER 95 Cb -0.43 -1.90 -0.06 0.00 -1.71 0.00 0.00 66.02 61.92 1fd7 s SER 95 CO 0.48 0.08 1.43 -0.63 1.20 0.00 0.00 173.24 175.81 1fd7 s ILE 96 N 0.89 3.64 -0.20 6.45 1.01 -0.24 -0.07 121.20 132.69 1fd7 s ILE 96 Ca 0.03 1.03 0.09 0.00 0.00 0.00 0.00 60.65 61.80 1fd7 s ILE 96 Cb -0.14 -3.66 -0.18 0.00 0.01 0.00 0.00 42.46 38.48 1fd7 s ILE 96 CO 0.02 -0.00 -0.06 0.00 0.00 0.00 0.00 174.94 174.90 1fd7 n ALA 97 N 5.43 1.55 -3.34 9.38 0.00 0.63 -4.87 120.51 129.28 1fd7 n ALA 97 Ca 0.13 -1.06 -0.13 0.00 0.00 0.00 0.00 53.44 52.39 1fd7 n ALA 97 Cb 0.43 -0.07 -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 -2.43 -1.46 0.07 0.00 0.00 -0.88 -4.98 121.76 112.07 1fd7 s ALA 98 Ca -0.19 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.30 1fd7 s ALA 98 Cb 0.06 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 1fd7 s ALA 98 CO 0.62 -0.67 -0.08 -1.50 0.00 0.00 0.00 175.76 174.13 1fd7 s ILE 99 N -3.31 0.71 0.03 0.00 2.07 -1.26 -1.30 121.20 118.13 1fd7 s ILE 99 Ca -0.01 -1.47 0.00 0.00 -1.41 0.00 0.00 60.65 57.77 1fd7 s ILE 99 Cb -0.00 -1.12 -0.02 0.00 0.13 0.00 0.00 42.46 41.45 1fd7 s ILE 99 CO -0.09 -0.56 -0.04 -0.94 -1.91 0.00 0.00 174.94 171.40 1fd7 s SER 100 N -2.21 0.38 -0.04 4.50 1.04 -0.32 -4.98 113.70 112.07 1fd7 s SER 100 Ca 0.00 -0.55 -0.06 0.00 0.48 0.00 0.00 55.95 55.83 1fd7 s SER 100 Cb -0.04 0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.19 1fd7 s SER 100 CO -0.01 -0.30 0.15 0.00 0.98 0.00 0.00 173.24 174.05 1fd7 s MET 101 N -1.68 0.28 0.03 4.02 0.23 -1.26 -0.15 119.30 120.77 1fd7 s MET 101 Ca -0.13 0.01 0.02 0.00 -1.03 0.00 0.00 55.69 54.56 1fd7 s MET 101 Cb -0.09 0.12 -0.02 0.00 -1.53 0.00 0.00 34.83 33.32 1fd7 s MET 101 CO -0.01 -0.05 -0.07 -1.59 -2.03 0.00 0.00 175.02 171.27 1fd7 s LYS 102 N -0.40 0.47 0.00 3.16 -2.85 -1.26 -4.87 119.74 114.00 1fd7 s LYS 102 Ca -0.05 -0.57 0.00 0.00 -1.00 0.00 0.00 55.97 54.35 1fd7 s LYS 102 Cb -0.03 -0.29 0.00 0.00 -2.06 0.00 0.00 37.83 35.45 1fd7 s LYS 102 CO 0.01 0.06 0.46 -1.71 0.10 0.00 0.00 175.35 174.26