#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 0.96 0.00 0.00 -0.04 -1.26 -4.96 135.00 129.70 1fd7 n PRO 2 Ca 0.00 0.38 0.05 0.00 -0.04 0.00 0.00 63.50 63.89 1fd7 n PRO 2 Cb 0.00 -2.43 0.01 0.00 -0.04 0.00 0.00 33.50 31.04 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 -1.81 1.73 -4.05 0.54 6.02 -1.26 -4.97 117.38 113.58 1fd7 n GLN 3 Ca 0.15 -0.71 -0.08 0.00 -0.01 0.00 0.00 57.00 56.35 1fd7 n GLN 3 Cb 0.48 -1.10 -0.09 0.00 1.02 0.00 0.00 30.24 30.55 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 -1.23 0.15 0.35 5.09 -4.23 -1.26 -5.04 115.64 109.47 1fd7 s THR 4 Ca 0.09 -1.67 0.14 0.00 -1.18 0.00 0.00 61.69 59.07 1fd7 s THR 4 Cb 0.08 -1.69 0.10 0.00 1.34 0.00 0.00 72.50 72.33 1fd7 s THR 4 CO 0.22 -0.68 1.82 -0.29 -0.54 0.00 0.00 174.62 175.15 1fd7 h ILE 5 N 2.91 1.20 -0.45 2.99 2.10 -1.95 -2.49 117.51 121.81 1fd7 h ILE 5 Ca -0.34 -1.31 -0.14 0.00 1.08 0.00 0.00 64.86 64.15 1fd7 h ILE 5 Cb 1.18 1.72 -0.01 0.00 -1.09 0.00 0.00 36.82 38.62 1fd7 h ILE 5 CO 0.60 0.37 -0.27 0.74 -1.08 0.00 0.00 178.15 178.51 1fd7 h THR 6 N 0.00 1.27 -0.65 2.19 2.02 -1.99 -1.35 112.91 114.41 1fd7 h THR 6 Ca -0.00 -1.43 -0.04 0.00 0.77 0.00 0.00 66.41 65.70 1fd7 h THR 6 Cb 0.69 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 1fd7 h THR 6 CO 0.05 0.49 0.25 -0.08 0.37 0.00 0.00 175.52 176.59 1fd7 h GLU 7 N 0.82 0.98 0.47 6.66 4.81 -1.91 -2.09 114.58 124.33 1fd7 h GLU 7 Ca 0.10 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1fd7 h GLU 7 Cb 0.85 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 1fd7 h GLU 7 CO 0.07 0.83 -0.27 1.25 -0.73 0.00 0.00 179.01 180.16 1fd7 h LEU 8 N 0.92 -0.67 -0.92 1.64 6.46 -1.33 -2.97 115.31 118.44 1fd7 h LEU 8 Ca 0.21 0.04 0.18 0.00 -0.12 0.00 0.00 57.88 58.19 1fd7 h LEU 8 Cb 0.23 0.19 -0.11 0.00 -0.73 0.00 0.00 40.66 40.24 1fd7 h LEU 8 CO -0.02 -0.44 0.50 0.00 -0.62 0.00 0.00 178.44 177.87 1fd7 n SER 10 N -4.87 0.32 0.04 0.00 7.64 -0.79 -2.00 113.62 113.96 1fd7 n SER 10 Ca 0.21 0.57 0.12 0.00 1.01 0.00 0.00 58.87 60.78 1fd7 n SER 10 Cb 0.55 -0.64 0.49 0.00 -1.01 0.00 0.00 64.21 63.59 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 -1.85 0.09 -4.46 1.43 1.02 0.73 -4.83 120.64 112.77 1fd7 n GLU 11 Ca 0.03 0.16 -0.32 0.00 -0.02 0.00 0.00 57.16 57.01 1fd7 n GLU 11 Cb 0.22 -1.63 -0.11 0.00 -0.02 0.00 0.00 31.44 29.91 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 -3.07 2.85 0.44 -0.32 1.51 -0.85 -5.13 117.35 112.79 1fd7 s TYR 12 Ca 0.11 -0.07 -0.06 0.00 -1.01 0.00 0.00 57.07 56.04 1fd7 s TYR 12 Cb 0.14 -1.58 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 1fd7 s TYR 12 CO 0.48 0.36 0.75 1.03 -1.11 0.00 0.00 175.55 177.07 1fd7 s ARG 13 N -1.47 3.60 -1.20 -0.62 0.52 -1.26 -4.20 118.95 114.32 1fd7 s ARG 13 Ca 0.17 0.22 -0.07 0.00 -0.52 0.00 0.00 55.73 55.53 1fd7 s ARG 13 Cb -0.11 -2.41 0.01 0.00 0.52 0.00 0.00 34.95 32.96 1fd7 s ARG 13 CO 0.08 -0.12 1.05 0.09 0.02 0.00 0.00 175.30 176.41 1fd7 n ASN 14 N -1.93 -5.65 -4.35 0.23 4.13 -1.26 -4.96 115.26 101.46 1fd7 n ASN 14 Ca 0.01 -0.49 -0.18 0.00 1.68 0.00 0.00 54.58 55.60 1fd7 n ASN 14 Cb 0.55 -4.55 -0.10 0.00 -1.54 0.00 0.00 39.78 34.13 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 -3.29 0.87 0.14 3.41 -4.23 -1.26 -0.86 115.64 110.42 1fd7 s THR 15 Ca 0.49 -2.01 -0.24 0.00 -1.18 0.00 0.00 61.69 58.75 1fd7 s THR 15 Cb -0.22 -2.55 0.07 0.00 1.34 0.00 0.00 72.50 71.14 1fd7 s THR 15 CO 0.65 -0.13 0.61 0.00 -0.54 0.00 0.00 174.62 175.21 1fd7 s GLN 16 N -3.94 1.26 -0.18 3.99 -2.07 -0.67 -4.90 119.66 113.14 1fd7 s GLN 16 Ca 0.34 -0.39 -0.11 0.00 -1.82 0.00 0.00 55.36 53.37 1fd7 s GLN 16 Cb 0.07 0.58 -0.05 0.00 -1.09 0.00 0.00 33.01 32.52 1fd7 s GLN 16 CO 0.12 -0.54 0.18 0.42 -1.32 0.00 0.00 175.29 174.15 1fd7 s ILE 17 N -3.48 5.38 -0.23 3.63 -1.09 -1.26 -1.24 121.20 122.91 1fd7 s ILE 17 Ca -0.00 0.30 -0.08 0.00 -2.23 0.00 0.00 60.65 58.63 1fd7 s ILE 17 Cb -0.01 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 1fd7 s ILE 17 CO -0.11 0.43 0.10 -0.31 -1.23 0.00 0.00 174.94 173.83 1fd7 s TYR 18 N 0.32 3.19 -0.73 3.97 1.51 0.22 -4.98 117.35 120.86 1fd7 s TYR 18 Ca 0.11 -0.07 -0.20 0.00 -1.01 0.00 0.00 57.07 55.89 1fd7 s TYR 18 Cb -0.12 -2.21 0.10 0.00 -0.11 0.00 0.00 41.96 39.63 1fd7 s TYR 18 CO 0.00 -0.09 0.95 0.99 -1.11 0.00 0.00 175.55 176.29 1fd7 s THR 19 N 1.11 4.58 -0.15 -0.71 2.01 -1.26 -0.87 115.64 120.35 1fd7 s THR 19 Ca 0.05 -0.90 -0.27 0.00 0.31 0.00 0.00 61.69 60.88 1fd7 s THR 19 Cb -0.14 -4.66 -0.25 0.00 0.01 0.00 0.00 72.50 67.45 1fd7 s THR 19 CO 0.04 -1.39 0.67 0.40 -0.69 0.00 0.00 174.62 173.65 1fd7 h ILE 20 N 5.90 1.62 -6.64 1.82 1.08 -0.98 -3.49 117.51 116.81 1fd7 h ILE 20 Ca -0.15 -2.33 -0.53 0.00 -0.39 0.00 0.00 64.86 61.46 1fd7 h ILE 20 Cb 1.06 3.17 -0.05 0.00 -3.07 0.00 0.00 36.82 37.93 1fd7 h ILE 20 CO 1.13 0.56 -0.94 -3.20 -0.69 0.00 0.00 178.15 175.02 1fd7 n ASN 21 N -4.55 -1.70 -3.62 1.72 5.15 -0.02 -4.92 115.26 107.32 1fd7 n ASN 21 Ca -0.14 -1.12 -0.05 0.00 -0.60 0.00 0.00 54.58 52.67 1fd7 n ASN 21 Cb 0.54 -2.57 -0.02 0.00 -0.53 0.00 0.00 39.78 37.20 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 -4.05 -0.24 0.60 1.20 2.15 -0.80 -4.91 116.67 110.63 1fd7 s ASP 22 Ca 0.18 -0.18 -0.06 0.00 0.43 0.00 0.00 52.55 52.93 1fd7 s ASP 22 Cb -0.08 0.38 0.02 0.00 -0.30 0.00 0.00 42.92 42.94 1fd7 s ASP 22 CO 0.92 -0.67 0.91 -1.59 -0.17 0.00 0.00 175.17 174.57 1fd7 s LYS 23 N -3.06 2.78 0.20 4.34 -2.85 -1.26 -0.02 119.74 119.87 1fd7 s LYS 23 Ca 0.09 -0.09 -0.30 0.00 -1.00 0.00 0.00 55.97 54.67 1fd7 s LYS 23 Cb -0.01 -2.27 -0.08 0.00 -2.06 0.00 0.00 37.83 33.41 1fd7 s LYS 23 CO -0.04 -0.78 1.12 0.42 0.10 0.00 0.00 175.35 176.17 1fd7 s ILE 24 N -3.01 3.73 -0.13 3.79 1.01 -1.26 -4.74 121.20 120.58 1fd7 s ILE 24 Ca 0.55 1.54 -0.24 0.00 0.00 0.00 0.00 60.65 62.50 1fd7 s ILE 24 Cb -0.11 -3.98 -0.26 0.00 0.01 0.00 0.00 42.46 38.13 1fd7 s ILE 24 CO 0.45 0.28 0.63 0.25 0.00 0.00 0.00 174.94 176.55 1fd7 h LEU 25 N 4.85 0.14 -8.31 2.97 5.85 -1.26 -3.48 115.31 116.07 1fd7 h LEU 25 Ca -0.45 -0.86 -0.33 0.00 0.84 0.00 0.00 57.88 57.08 1fd7 h LEU 25 Cb 1.21 -0.05 -0.21 0.00 0.37 0.00 0.00 40.66 41.99 1fd7 h LEU 25 CO 0.72 1.27 -0.75 -0.94 -0.34 0.00 0.00 178.44 178.40 1fd7 s SER 26 N -6.62 1.26 -0.05 1.25 1.04 -0.92 -4.98 113.70 104.69 1fd7 s SER 26 Ca -0.20 -0.62 0.03 0.00 0.48 0.00 0.00 55.95 55.63 1fd7 s SER 26 Cb 0.01 0.00 0.01 0.00 0.10 0.00 0.00 66.02 66.13 1fd7 s SER 26 CO 0.70 -0.17 -0.12 -0.47 0.98 0.00 0.00 173.24 174.16 1fd7 s TYR 27 N -1.54 1.32 -0.03 5.02 5.04 -1.26 -1.88 117.35 124.02 1fd7 s TYR 27 Ca -0.04 -0.41 0.01 0.00 -2.44 0.00 0.00 57.07 54.19 1fd7 s TYR 27 Cb -0.09 -0.94 0.02 0.00 0.35 0.00 0.00 41.96 41.29 1fd7 s TYR 27 CO 0.01 -0.19 -0.05 0.99 -1.34 0.00 0.00 175.55 174.97 1fd7 s THR 28 N 0.37 0.53 -0.03 4.34 2.01 -0.40 -5.01 115.64 117.45 1fd7 s THR 28 Ca -0.08 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 61.77 1fd7 s THR 28 Cb -0.12 -0.53 0.01 0.00 0.01 0.00 0.00 72.50 71.87 1fd7 s THR 28 CO 0.02 0.21 -0.05 -0.70 -0.69 0.00 0.00 174.62 173.40 1fd7 s GLU 29 N 0.64 0.78 -0.06 4.92 2.12 -1.26 -0.81 118.70 125.03 1fd7 s GLU 29 Ca -0.08 -0.15 0.03 0.00 0.36 0.00 0.00 54.97 55.12 1fd7 s GLU 29 Cb -0.12 -0.77 0.01 0.00 0.26 0.00 0.00 34.13 33.51 1fd7 s GLU 29 CO 0.00 -0.01 -0.14 0.45 -0.54 0.00 0.00 175.26 175.02 1fd7 s SER 30 N 0.60 1.93 -0.12 -1.70 0.15 -0.60 -4.99 113.70 108.96 1fd7 s SER 30 Ca -0.08 -0.32 0.15 0.00 0.70 0.00 0.00 55.95 56.40 1fd7 s SER 30 Cb -0.11 -0.74 0.49 0.00 -1.71 0.00 0.00 66.02 63.95 1fd7 s SER 30 CO 0.00 0.09 1.40 1.15 1.20 0.00 0.00 173.24 177.08 1fd7 n MET 31 N 3.51 3.07 -2.34 5.44 0.00 -1.26 -2.64 117.12 122.90 1fd7 n MET 31 Ca -0.21 -2.62 -0.38 0.00 0.00 0.00 0.00 57.70 54.49 1fd7 n MET 31 Cb 0.52 -1.69 -0.03 0.00 0.00 0.00 0.00 33.22 32.03 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 -2.19 3.20 0.03 3.17 0.00 -1.26 -4.86 121.76 119.84 1fd7 s ALA 32 Ca 0.38 0.94 -0.36 0.00 0.00 0.00 0.00 51.96 52.92 1fd7 s ALA 32 Cb 0.28 -3.37 -0.15 0.00 0.00 0.00 0.00 23.12 19.89 1fd7 s ALA 32 CO 0.12 -0.45 1.59 0.41 0.00 0.00 0.00 175.76 177.44 1fd7 n GLY 33 N 0.67 0.96 3.26 0.00 0.00 -1.26 -1.21 105.19 107.62 1fd7 n GLY 33 Ca 0.03 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 4.08 0.00 -2.39 1.61 4.76 -1.26 -4.82 118.16 120.14 1fd7 n LYS 34 Ca 0.20 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.44 1fd7 n LYS 34 Cb 0.24 -2.27 0.02 0.00 -1.84 0.00 0.00 35.03 31.18 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 2.94 -2.73 1.97 5.12 -0.35 -4.96 116.66 116.66 1fd7 n ARG 35 Ca 0.00 -4.06 -0.42 0.00 -1.93 0.00 0.00 57.85 51.43 1fd7 n ARG 35 Cb 0.00 -2.03 -0.02 0.00 -1.16 0.00 0.00 32.46 29.25 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 -3.54 3.67 0.31 5.56 8.01 -1.20 -4.14 118.70 127.36 1fd7 s GLU 36 Ca 0.43 -1.55 -0.07 0.00 0.01 0.00 0.00 54.97 53.79 1fd7 s GLU 36 Cb 0.40 -5.19 0.00 0.00 -4.31 0.00 0.00 34.13 25.03 1fd7 s GLU 36 CO -0.05 -2.02 0.49 0.00 0.01 0.00 0.00 175.26 173.69 1fd7 s MET 37 N 3.80 1.78 0.02 1.61 0.23 -1.08 -4.22 119.30 121.44 1fd7 s MET 37 Ca 0.42 -1.54 0.06 0.00 -1.03 0.00 0.00 55.69 53.59 1fd7 s MET 37 Cb -0.02 0.46 -0.02 0.00 -1.53 0.00 0.00 34.83 33.73 1fd7 s MET 37 CO -0.07 -0.75 -0.17 0.08 -2.03 0.00 0.00 175.02 172.08 1fd7 s VAL 38 N -3.37 1.31 -0.04 5.16 1.01 -1.21 -1.56 120.40 121.70 1fd7 s VAL 38 Ca 0.27 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1fd7 s VAL 38 Cb -0.01 -1.14 -0.00 0.00 0.00 0.00 0.00 36.38 35.23 1fd7 s VAL 38 CO 0.15 0.18 -0.16 -0.63 0.00 0.00 0.00 175.10 174.64 1fd7 s ILE 39 N -0.67 1.36 0.17 2.22 1.01 0.01 -1.03 121.20 124.27 1fd7 s ILE 39 Ca 0.05 -0.68 0.09 0.00 0.00 0.00 0.00 60.65 60.11 1fd7 s ILE 39 Cb -0.07 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1fd7 s ILE 39 CO 0.01 0.39 -0.20 0.27 0.00 0.00 0.00 174.94 175.41 1fd7 s ILE 40 N 0.02 1.92 0.04 2.92 -4.36 -0.21 -1.28 121.20 120.25 1fd7 s ILE 40 Ca -0.03 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 58.45 1fd7 s ILE 40 Cb -0.11 -1.88 -0.03 0.00 1.25 0.00 0.00 42.46 41.70 1fd7 s ILE 40 CO 0.02 -0.26 -0.04 0.42 0.24 0.00 0.00 174.94 175.32 1fd7 s THR 41 N -1.90 0.28 0.23 8.37 -4.23 -0.79 -1.09 115.64 116.51 1fd7 s THR 41 Ca 0.16 -1.20 0.11 0.00 -1.18 0.00 0.00 61.69 59.58 1fd7 s THR 41 Cb -0.06 -0.69 -0.05 0.00 1.34 0.00 0.00 72.50 73.04 1fd7 s THR 41 CO 0.07 -0.60 -0.21 -0.36 -0.54 0.00 0.00 174.62 172.98 1fd7 s PHE 42 N -2.08 2.23 -0.16 3.99 0.08 -0.73 -0.72 117.98 120.60 1fd7 s PHE 42 Ca -0.08 -0.36 0.27 0.00 0.12 0.00 0.00 56.93 56.88 1fd7 s PHE 42 Cb -0.05 -1.04 1.28 0.00 -0.57 0.00 0.00 43.02 42.64 1fd7 s PHE 42 CO -0.03 0.58 1.82 1.57 -0.10 0.00 0.00 175.22 179.06 1fd7 h LYS 43 N 2.75 0.00 -0.11 0.44 2.10 -1.90 -0.23 116.57 119.63 1fd7 h LYS 43 Ca -0.43 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.25 1fd7 h LYS 43 Cb 1.23 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1fd7 h LYS 43 CO 0.54 0.00 0.14 0.66 -2.00 0.00 0.00 179.45 178.79 1fd7 h SER 44 N 0.00 0.00 0.00 7.07 4.64 -1.97 -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 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 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 -1.35 0.59 3.76 -0.77 0.00 -0.10 -5.08 105.19 102.24 1fd7 n GLY 45 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.63 4.51 -0.05 1.61 0.41 -1.25 -4.85 118.70 118.46 1fd7 s GLU 46 Ca 0.00 1.78 0.05 0.00 -0.41 0.00 0.00 54.97 56.39 1fd7 s GLU 46 Cb 0.00 -3.05 -0.01 0.00 -1.78 0.00 0.00 34.13 29.29 1fd7 s GLU 46 CO 0.00 0.10 -0.20 0.99 -0.49 0.00 0.00 175.26 175.66 1fd7 s THR 47 N -1.25 1.67 0.06 3.63 2.01 -1.26 -1.77 115.64 118.73 1fd7 s THR 47 Ca 0.48 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.65 1fd7 s THR 47 Cb -0.31 -1.42 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 1fd7 s THR 47 CO 0.39 0.47 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.35 1fd7 s PHE 48 N -0.06 0.85 0.36 4.92 0.08 -0.25 -3.88 117.98 119.99 1fd7 s PHE 48 Ca -0.03 -0.57 0.08 0.00 0.12 0.00 0.00 56.93 56.52 1fd7 s PHE 48 Cb -0.12 -0.49 -0.07 0.00 -0.57 0.00 0.00 43.02 41.77 1fd7 s PHE 48 CO 0.03 -0.06 -0.04 1.14 -0.10 0.00 0.00 175.22 176.19 1fd7 s GLN 49 N -2.10 1.83 -0.27 0.44 -2.07 -0.01 -1.04 119.66 116.44 1fd7 s GLN 49 Ca -0.03 -1.99 -0.06 0.00 -1.82 0.00 0.00 55.36 51.47 1fd7 s GLN 49 Cb -0.07 -1.58 0.00 0.00 -1.09 0.00 0.00 33.01 30.28 1fd7 s GLN 49 CO -0.00 0.04 0.03 0.08 -1.32 0.00 0.00 175.29 174.13 1fd7 s VAL 50 N -2.73 3.75 0.74 3.63 1.01 -0.19 -0.90 120.40 125.71 1fd7 s VAL 50 Ca 0.33 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 1fd7 s VAL 50 Cb 0.06 -2.86 0.05 0.00 0.00 0.00 0.00 36.38 33.62 1fd7 s VAL 50 CO 0.17 0.20 1.14 -1.61 0.00 0.00 0.00 175.10 174.99 1fd7 s GLU 51 N 1.49 2.23 0.30 2.72 2.02 -1.26 -3.36 118.70 122.84 1fd7 s GLU 51 Ca 0.03 1.47 -0.29 0.00 0.02 0.00 0.00 54.97 56.20 1fd7 s GLU 51 Cb -0.16 -1.87 -0.10 0.00 0.10 0.00 0.00 34.13 32.09 1fd7 s GLU 51 CO 0.01 -1.71 1.39 0.08 0.02 0.00 0.00 175.26 175.05 1fd7 s VAL 52 N -2.42 2.59 0.23 2.63 1.01 -1.26 -4.91 120.40 118.28 1fd7 s VAL 52 Ca 0.68 0.55 -0.32 0.00 0.00 0.00 0.00 61.98 62.89 1fd7 s VAL 52 Cb -0.22 -3.35 -0.13 0.00 0.00 0.00 0.00 36.38 32.68 1fd7 s VAL 52 CO 0.48 0.11 1.54 -2.65 0.00 0.00 0.00 175.10 174.58 1fd7 n PRO 53 N 1.41 2.32 -0.97 2.72 -0.02 -1.26 -4.95 135.00 134.26 1fd7 n PRO 53 Ca 0.03 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1fd7 n PRO 53 Cb 0.41 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 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 2.71 3.88 0.06 -1.23 0.00 -1.26 -5.04 105.19 104.31 1fd7 n GLY 54 Ca 0.13 -1.36 0.11 0.00 0.00 0.00 0.00 46.02 44.90 1fd7 n GLY 54 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fd7 n SER 55 N -1.36 0.39 0.25 1.61 7.64 -1.26 -1.76 113.62 119.12 1fd7 n SER 55 Ca 0.00 0.57 0.15 0.00 1.01 0.00 0.00 58.87 60.60 1fd7 n SER 55 Cb 0.00 -0.66 0.50 0.00 -1.01 0.00 0.00 64.21 63.04 1fd7 n SER 55 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1fd7 h GLN 56 N 0.00 0.00 -6.40 1.43 -0.00 -1.96 -3.45 115.11 104.73 1fd7 h GLN 56 Ca 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 58.65 58.11 1fd7 h GLN 56 Cb 0.43 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.88 1fd7 h GLN 56 CO 0.00 0.00 -0.14 -1.01 -0.00 0.00 0.00 178.83 177.68 1fd7 s HIS 57 N -3.49 3.43 0.37 0.06 3.76 -0.72 -5.10 115.29 113.60 1fd7 s HIS 57 Ca 0.03 0.84 0.06 0.00 -0.15 0.00 0.00 55.06 55.84 1fd7 s HIS 57 Cb 0.08 -2.23 -0.00 0.00 1.11 0.00 0.00 32.58 31.54 1fd7 s HIS 57 CO 0.58 0.29 0.53 0.96 -0.85 0.00 0.00 174.74 176.25 1fd7 s ILE 58 N -1.79 3.88 0.42 0.60 -4.36 -1.26 -4.90 121.20 113.79 1fd7 s ILE 58 Ca 0.46 -0.91 0.28 0.00 -0.26 0.00 0.00 60.65 60.22 1fd7 s ILE 58 Cb -0.11 -3.36 0.30 0.00 1.25 0.00 0.00 42.46 40.54 1fd7 s ILE 58 CO 0.22 -0.16 2.08 0.44 0.24 0.00 0.00 174.94 177.76 1fd7 h ASP 59 N 0.75 0.00 0.69 4.36 3.32 -1.99 -2.01 116.42 121.54 1fd7 h ASP 59 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1fd7 h ASP 59 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1fd7 h ASP 59 CO 0.52 0.11 0.00 0.77 -1.72 0.00 0.00 179.24 178.92 1fd7 h SER 60 N 0.00 0.00 0.91 6.45 4.64 -2.05 -1.97 113.55 121.53 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 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1fd7 h SER 60 CO 0.01 0.00 -0.50 0.00 -0.87 0.00 0.00 176.83 175.47 1fd7 n GLN 61 N -2.63 0.24 -0.15 4.77 6.02 -0.76 -4.34 117.38 120.54 1fd7 n GLN 61 Ca 0.01 0.09 -0.08 0.00 -0.01 0.00 0.00 57.00 57.01 1fd7 n GLN 61 Cb 0.22 -1.67 0.01 0.00 1.02 0.00 0.00 30.24 29.82 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 0.63 -0.04 -1.09 1.79 -1.45 0.27 116.57 116.68 1fd7 h LYS 62 Ca 0.00 -0.07 -0.16 0.00 -2.18 0.00 0.00 60.65 58.24 1fd7 h LYS 62 Cb 0.70 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 1fd7 h LYS 62 CO 0.00 0.50 -0.69 0.87 -1.08 0.00 0.00 179.45 179.05 1fd7 h LYS 63 N 0.59 0.17 -0.45 3.15 1.57 -1.78 -3.03 116.57 116.79 1fd7 h LYS 63 Ca 0.16 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1fd7 h LYS 63 Cb 0.06 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1fd7 h LYS 63 CO -0.02 0.79 -0.08 0.00 -0.57 0.00 0.00 179.45 179.57 1fd7 h ALA 64 N 1.17 1.02 -0.41 3.86 0.00 -1.62 -0.75 119.26 122.52 1fd7 h ALA 64 Ca -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1fd7 h ALA 64 Cb 1.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1fd7 h ALA 64 CO 0.10 0.59 0.20 0.82 0.00 0.00 0.00 179.25 180.97 1fd7 h ILE 65 N 0.72 1.17 -0.82 0.00 2.04 -0.91 -0.53 117.51 119.18 1fd7 h ILE 65 Ca 0.13 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 1fd7 h ILE 65 Cb 0.55 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1fd7 h ILE 65 CO 0.03 0.18 0.36 -0.33 0.00 0.00 0.00 178.15 178.40 1fd7 h GLU 66 N 0.52 1.20 -0.61 2.37 4.39 -1.38 -2.44 114.58 118.64 1fd7 h GLU 66 Ca 0.14 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1fd7 h GLU 66 Cb 0.11 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 1fd7 h GLU 66 CO -0.02 0.95 0.38 -0.09 -1.16 0.00 0.00 179.01 179.07 1fd7 h ARG 67 N 1.18 0.81 -0.48 2.33 2.43 -0.81 -1.58 114.38 118.25 1fd7 h ARG 67 Ca 0.28 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1fd7 h ARG 67 Cb 0.17 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1fd7 h ARG 67 CO -0.03 0.57 0.31 1.98 -1.51 0.00 0.00 179.97 181.29 1fd7 h MET 68 N 0.82 0.65 -0.64 0.20 4.05 -0.69 0.22 114.93 119.54 1fd7 h MET 68 Ca 0.22 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.57 1fd7 h MET 68 Cb -0.05 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.58 1fd7 h MET 68 CO -0.04 0.45 0.31 0.87 0.23 0.00 0.00 176.91 178.72 1fd7 h LYS 69 N 0.65 0.92 -0.36 0.39 1.57 -1.36 0.12 116.57 118.50 1fd7 h LYS 69 Ca 0.18 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1fd7 h LYS 69 Cb -0.05 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.06 1fd7 h LYS 69 CO -0.04 0.74 0.14 -0.44 -0.57 0.00 0.00 179.45 179.28 1fd7 h ASP 70 N 0.88 0.17 -0.77 0.86 3.32 -0.30 -2.02 116.42 118.56 1fd7 h ASP 70 Ca 0.22 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1fd7 h ASP 70 Cb 0.12 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 1fd7 h ASP 70 CO -0.03 0.13 0.48 0.74 -1.72 0.00 0.00 179.24 178.85 1fd7 h THR 71 N 0.30 1.21 -0.45 0.35 2.02 -0.04 -2.28 112.91 114.02 1fd7 h THR 71 Ca 0.16 -0.42 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 1fd7 h THR 71 Cb 0.12 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 1fd7 h THR 71 CO -0.15 0.21 -0.06 -0.07 0.37 0.00 0.00 175.52 175.81 1fd7 h LEU 72 N 1.04 0.76 -0.00 2.58 3.38 -0.48 -0.43 115.31 122.16 1fd7 h LEU 72 Ca 0.28 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1fd7 h LEU 72 Cb -0.08 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1fd7 h LEU 72 CO -0.06 0.86 0.00 -0.09 0.09 0.00 0.00 178.44 179.25 1fd7 h ARG 73 N 0.71 0.01 -0.24 1.13 2.43 -0.89 0.27 114.38 117.80 1fd7 h ARG 73 Ca 0.13 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.19 1fd7 h ARG 73 Cb 0.53 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1fd7 h ARG 73 CO 0.03 0.20 -0.32 0.97 -1.51 0.00 0.00 179.97 179.34 1fd7 h ILE 74 N -0.19 1.28 -0.49 1.20 6.09 -1.36 -1.11 117.51 122.94 1fd7 h ILE 74 Ca 0.00 -1.40 0.01 0.00 -1.37 0.00 0.00 64.86 62.10 1fd7 h ILE 74 Cb 0.20 1.45 -0.03 0.00 0.47 0.00 0.00 36.82 38.91 1fd7 h ILE 74 CO -0.00 0.44 0.31 0.74 -3.07 0.00 0.00 178.15 176.57 1fd7 h THR 75 N 0.42 1.09 0.18 2.19 2.02 -0.98 -0.95 112.91 116.88 1fd7 h THR 75 Ca 0.05 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1fd7 h THR 75 Cb 0.77 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1fd7 h THR 75 CO 0.06 0.11 -0.09 0.22 0.37 0.00 0.00 175.52 176.20 1fd7 h TYR 76 N 0.62 -0.23 0.00 3.16 3.20 -0.43 -2.16 116.97 121.14 1fd7 h TYR 76 Ca 0.19 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 1fd7 h TYR 76 Cb -0.03 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1fd7 h TYR 76 CO -0.05 -0.06 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.16 1fd7 h LEU 77 N -0.34 0.00 -1.24 2.82 3.38 -1.07 -2.32 115.31 116.53 1fd7 h LEU 77 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1fd7 h LEU 77 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1fd7 h LEU 77 CO 0.04 0.18 0.00 0.35 0.09 0.00 0.00 178.44 179.10 1fd7 n THR 78 N -3.87 0.09 -3.80 0.22 -2.24 -0.37 -4.93 114.28 99.38 1fd7 n THR 78 Ca -0.02 -0.35 -0.29 0.00 -2.27 0.00 0.00 64.05 61.12 1fd7 n THR 78 Cb 0.27 0.65 0.01 0.00 -2.10 0.00 0.00 70.33 69.17 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 0.48 -4.79 -2.72 -0.78 1.02 -0.87 -4.91 120.64 108.06 1fd7 n GLU 79 Ca 0.18 0.56 -0.41 0.00 -0.02 0.00 0.00 57.16 57.47 1fd7 n GLU 79 Cb 0.40 -5.40 -0.05 0.00 -0.02 0.00 0.00 31.44 26.37 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 -3.22 4.31 0.04 2.62 2.01 -0.85 -4.84 115.64 115.71 1fd7 s THR 80 Ca 0.61 2.05 -0.30 0.00 0.31 0.00 0.00 61.69 64.36 1fd7 s THR 80 Cb -0.31 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 67.84 1fd7 s THR 80 CO 0.75 0.38 1.21 -0.54 -0.69 0.00 0.00 174.62 175.73 1fd7 s LYS 81 N -0.43 4.41 -0.06 4.92 1.02 -1.26 -4.40 119.74 123.94 1fd7 s LYS 81 Ca 0.45 1.76 -0.17 0.00 0.02 0.00 0.00 55.97 58.04 1fd7 s LYS 81 Cb -0.25 -3.40 -0.05 0.00 -0.52 0.00 0.00 37.83 33.62 1fd7 s LYS 81 CO 0.31 -0.31 0.45 0.42 -0.92 0.00 0.00 175.35 175.30 1fd7 s ILE 82 N 1.35 5.09 0.00 2.17 1.01 0.97 -4.35 121.20 127.44 1fd7 s ILE 82 Ca 0.58 0.92 0.00 0.00 0.00 0.00 0.00 60.65 62.15 1fd7 s ILE 82 Cb -0.29 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1fd7 s ILE 82 CO 0.28 0.44 0.00 -0.67 0.00 0.00 0.00 174.94 174.99 1fd7 n ASP 83 N 2.82 0.00 -4.38 3.58 -0.08 0.17 -0.84 116.55 117.82 1fd7 n ASP 83 Ca -0.10 0.17 -0.24 0.00 -1.51 0.00 0.00 54.79 53.11 1fd7 n ASP 83 Cb 0.52 -0.29 -0.11 0.00 2.34 0.00 0.00 41.12 43.58 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 -0.58 1.42 -0.03 -0.67 1.02 -1.19 -0.44 119.74 119.28 1fd7 s LYS 84 Ca 0.00 -1.52 0.07 0.00 0.02 0.00 0.00 55.97 54.55 1fd7 s LYS 84 Cb 0.00 -1.55 -0.02 0.00 -0.52 0.00 0.00 37.83 35.74 1fd7 s LYS 84 CO 0.00 0.31 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.98 1fd7 s LEU 85 N -2.84 2.05 -0.27 3.17 1.43 -0.05 -1.21 118.68 120.96 1fd7 s LEU 85 Ca 0.20 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.74 1fd7 s LEU 85 Cb -0.06 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 1fd7 s LEU 85 CO 0.09 0.30 0.12 0.00 0.23 0.00 0.00 176.35 177.09 1fd7 s VAL 87 N 1.66 1.49 -0.09 0.00 -7.23 -0.37 -0.63 120.40 115.24 1fd7 s VAL 87 Ca 0.06 -1.64 -0.26 0.00 -1.81 0.00 0.00 61.98 58.34 1fd7 s VAL 87 Cb -0.16 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 1fd7 s VAL 87 CO 0.06 -0.26 0.84 0.26 -0.31 0.00 0.00 175.10 175.68 1fd7 s TRP 88 N -1.70 3.54 -1.22 2.82 0.51 0.15 -1.67 118.94 121.37 1fd7 s TRP 88 Ca 0.08 1.39 0.19 0.00 -2.12 0.00 0.00 56.10 55.63 1fd7 s TRP 88 Cb -0.07 -2.98 0.72 0.00 -0.81 0.00 0.00 33.47 30.33 1fd7 s TRP 88 CO 0.04 -0.07 1.63 0.27 -0.51 0.00 0.00 176.95 178.30 1fd7 n ASN 89 N 4.40 4.71 -1.79 2.95 0.23 -0.04 -1.57 115.26 124.15 1fd7 n ASN 89 Ca 0.03 -2.41 0.07 0.00 -0.53 0.00 0.00 54.58 51.75 1fd7 n ASN 89 Cb 0.50 -0.58 0.39 0.00 -2.08 0.00 0.00 39.78 38.02 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 1.19 5.51 -4.14 0.53 2.04 -1.26 -4.89 115.26 114.23 1fd7 n ASN 90 Ca 0.26 -2.89 -0.11 0.00 -0.44 0.00 0.00 54.58 51.40 1fd7 n ASN 90 Cb 0.87 -0.66 -0.10 0.00 -2.53 0.00 0.00 39.78 37.35 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 -2.67 0.75 -0.04 -3.83 -0.14 -1.26 -5.09 119.74 107.46 1fd7 s LYS 91 Ca 0.53 -1.17 -0.01 0.00 -1.36 0.00 0.00 55.97 53.96 1fd7 s LYS 91 Cb 0.40 -0.24 0.03 0.00 -1.68 0.00 0.00 37.83 36.34 1fd7 s LYS 91 CO 0.16 0.01 0.03 0.99 -0.76 0.00 0.00 175.35 175.78 1fd7 s THR 92 N -2.97 0.07 1.08 2.17 2.01 -1.26 -3.18 115.64 113.55 1fd7 s THR 92 Ca 0.06 0.28 -0.14 0.00 0.31 0.00 0.00 61.69 62.20 1fd7 s THR 92 Cb 0.01 -0.26 0.23 0.00 0.01 0.00 0.00 72.50 72.49 1fd7 s THR 92 CO -0.03 0.19 1.08 -2.16 -0.69 0.00 0.00 174.62 173.00 1fd7 s PRO 93 N 1.83 -0.21 0.74 4.92 0.04 -1.26 -5.06 135.00 136.00 1fd7 s PRO 93 Ca 0.01 0.48 -0.15 0.00 0.04 0.00 0.00 61.00 61.38 1fd7 s PRO 93 Cb -0.12 -1.67 0.05 0.00 0.04 0.00 0.00 34.50 32.80 1fd7 s PRO 93 CO -0.03 -3.15 1.23 -0.80 0.04 0.00 0.00 177.00 174.28 1fd7 s ASN 94 N -3.31 4.04 -0.16 6.66 0.01 -1.19 -4.49 114.94 116.50 1fd7 s ASN 94 Ca 0.67 2.42 -0.05 0.00 -0.71 0.00 0.00 52.86 55.18 1fd7 s ASN 94 Cb -0.19 -2.60 -0.03 0.00 0.41 0.00 0.00 41.25 38.84 1fd7 s ASN 94 CO 0.59 -2.37 0.02 -0.55 -1.51 0.00 0.00 177.10 173.27 1fd7 s SER 95 N -1.94 5.28 -0.10 -1.22 0.15 -0.61 -0.83 113.70 114.42 1fd7 s SER 95 Ca 0.76 0.02 -0.30 0.00 0.70 0.00 0.00 55.95 57.13 1fd7 s SER 95 Cb -0.31 -1.84 -0.02 0.00 -1.71 0.00 0.00 66.02 62.14 1fd7 s SER 95 CO 0.46 0.20 1.17 -0.63 1.20 0.00 0.00 173.24 175.64 1fd7 s ILE 96 N 0.19 4.39 -0.24 6.45 1.01 -0.08 0.31 121.20 133.23 1fd7 s ILE 96 Ca 0.02 1.69 0.01 0.00 0.00 0.00 0.00 60.65 62.37 1fd7 s ILE 96 Cb -0.13 -4.09 -0.18 0.00 0.01 0.00 0.00 42.46 38.07 1fd7 s ILE 96 CO 0.01 -0.05 -0.14 0.00 0.00 0.00 0.00 174.94 174.77 1fd7 n ALA 97 N 5.57 1.37 -3.21 9.38 0.00 0.20 -4.88 120.51 128.93 1fd7 n ALA 97 Ca 0.11 -1.04 -0.10 0.00 0.00 0.00 0.00 53.44 52.41 1fd7 n ALA 97 Cb 0.46 -0.18 -0.04 0.00 0.00 0.00 0.00 19.45 19.69 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 -2.52 -0.80 -0.01 0.00 0.00 -0.95 -4.98 121.76 112.49 1fd7 s ALA 98 Ca -0.33 -0.31 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 1fd7 s ALA 98 Cb 0.09 0.85 0.00 0.00 0.00 0.00 0.00 23.12 24.05 1fd7 s ALA 98 CO 0.63 -0.78 0.08 -1.50 0.00 0.00 0.00 175.76 174.19 1fd7 s ILE 99 N -3.88 0.05 0.09 0.00 2.07 -1.26 -1.44 121.20 116.82 1fd7 s ILE 99 Ca 0.10 -0.38 0.04 0.00 -1.41 0.00 0.00 60.65 59.00 1fd7 s ILE 99 Cb -0.00 -0.25 -0.03 0.00 0.13 0.00 0.00 42.46 42.31 1fd7 s ILE 99 CO -0.03 -0.21 -0.12 -0.94 -1.91 0.00 0.00 174.94 171.73 1fd7 s SER 100 N -0.66 1.58 -0.11 4.50 1.04 -0.35 -4.99 113.70 114.70 1fd7 s SER 100 Ca -0.07 -0.73 -0.09 0.00 0.48 0.00 0.00 55.95 55.54 1fd7 s SER 100 Cb -0.05 -0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.09 1fd7 s SER 100 CO 0.00 -0.18 0.28 0.00 0.98 0.00 0.00 173.24 174.33 1fd7 s MET 101 N -2.35 0.31 0.03 4.02 0.23 -1.26 -0.66 119.30 119.62 1fd7 s MET 101 Ca 0.03 0.45 0.07 0.00 -1.03 0.00 0.00 55.69 55.20 1fd7 s MET 101 Cb -0.06 0.09 -0.02 0.00 -1.53 0.00 0.00 34.83 33.31 1fd7 s MET 101 CO 0.01 -0.07 -0.20 0.21 -2.03 0.00 0.00 175.02 172.94 1fd7 s LYS 102 N 0.47 1.39 0.00 3.16 2.20 -1.26 -4.90 119.74 120.79 1fd7 s LYS 102 Ca -0.03 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 54.71 1fd7 s LYS 102 Cb -0.04 -1.46 0.00 0.00 -1.51 0.00 0.00 37.83 34.82 1fd7 s LYS 102 CO -0.02 0.38 0.00 0.09 -0.36 0.00 0.00 175.35 175.44