#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b7e s ALA 2 N 0.00 3.72 -0.10 4.61 0.00 -1.26 -4.89 121.76 123.84 2b7e s ALA 2 Ca 0.00 -2.76 -0.08 0.00 0.00 0.00 0.00 51.96 49.12 2b7e s ALA 2 Cb 0.00 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 2b7e s ALA 2 CO 0.00 -2.07 -0.15 -1.33 0.00 0.00 0.00 175.76 172.21 2b7e n MET 3 N 4.81 0.31 -0.25 0.00 0.00 -1.26 -3.28 117.12 117.45 2b7e n MET 3 Ca -0.05 0.36 -0.07 0.00 0.00 0.00 0.00 57.70 57.94 2b7e n MET 3 Cb 0.42 -1.31 0.05 0.00 0.00 0.00 0.00 33.22 32.37 2b7e n MET 3 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2b7e h GLU 4 N -0.66 1.10 -0.46 0.03 5.08 -2.00 -2.77 114.58 114.91 2b7e h GLU 4 Ca 0.00 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 2b7e h GLU 4 Cb 0.42 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2b7e h GLU 4 CO 0.00 0.95 0.11 0.00 -1.00 0.00 0.00 179.01 179.07 2b7e h ALA 5 N 1.10 1.34 0.06 3.43 0.00 -1.94 0.19 119.26 123.45 2b7e h ALA 5 Ca 0.23 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2b7e h ALA 5 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2b7e h ALA 5 CO -0.01 0.47 -0.08 1.49 0.00 0.00 0.00 179.25 181.13 2b7e h GLU 6 N 0.67 -0.16 -0.76 0.00 4.81 -1.49 0.20 114.58 117.85 2b7e h GLU 6 Ca 0.15 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 2b7e h GLU 6 Cb 0.25 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2b7e h GLU 6 CO -0.00 -0.10 0.31 0.87 -0.73 0.00 0.00 179.01 179.35 2b7e h LYS 7 N -0.16 1.13 -0.78 1.92 1.57 -1.10 -0.17 116.57 118.97 2b7e h LYS 7 Ca 0.01 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 2b7e h LYS 7 Cb 0.17 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 2b7e h LYS 7 CO -0.03 0.91 0.30 0.93 -0.57 0.00 0.00 179.45 180.99 2b7e h GLU 8 N 1.11 1.17 -0.75 3.15 5.08 -0.44 0.50 114.58 124.40 2b7e h GLU 8 Ca 0.26 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2b7e h GLU 8 Cb 0.20 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2b7e h GLU 8 CO -0.02 0.96 0.45 0.35 -1.00 0.00 0.00 179.01 179.75 2b7e h PHE 9 N 1.13 0.99 -0.18 4.33 3.04 0.26 0.17 116.94 126.68 2b7e h PHE 9 Ca 0.26 0.00 -0.18 0.00 3.98 0.00 0.00 57.97 62.03 2b7e h PHE 9 Cb 0.23 -0.33 -0.00 0.00 2.56 0.00 0.00 35.95 38.41 2b7e h PHE 9 CO 0.02 0.66 -0.60 0.82 -2.02 0.00 0.00 178.31 177.19 2b7e h ILE 10 N 1.04 1.32 -0.55 1.41 1.08 -0.36 -1.83 117.51 119.61 2b7e h ILE 10 Ca 0.27 -1.86 -0.10 0.00 -0.39 0.00 0.00 64.86 62.78 2b7e h ILE 10 Cb -0.04 1.82 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 2b7e h ILE 10 CO -0.05 0.58 -0.05 0.74 -0.69 0.00 0.00 178.15 178.68 2b7e h THR 11 N 0.46 1.27 0.00 -0.27 2.02 -0.20 -2.21 112.91 113.98 2b7e h THR 11 Ca -0.00 -1.19 -0.03 0.00 0.77 0.00 0.00 66.41 65.96 2b7e h THR 11 Cb 1.17 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 2b7e h THR 11 CO 0.12 0.42 -0.15 0.00 0.37 0.00 0.00 175.52 176.28 2b7e h MET 12 N 0.89 0.00 -0.27 6.66 -0.00 -0.65 -1.35 114.93 120.21 2b7e h MET 12 Ca 0.15 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.69 2b7e h MET 12 Cb 0.60 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.20 2b7e h MET 12 CO 0.04 0.15 -0.47 -0.07 -0.00 0.00 0.00 176.91 176.56 2b7e h LEU 13 N 0.00 0.79 -0.65 -0.10 -0.00 -0.81 0.20 115.31 114.74 2b7e h LEU 13 Ca -0.00 -0.39 -0.12 0.00 -0.00 0.00 0.00 57.88 57.37 2b7e h LEU 13 Cb 0.79 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 41.21 2b7e h LEU 13 CO 0.02 1.13 -0.26 0.11 -0.00 0.00 0.00 178.44 179.44 2b7e h LYS 14 N 0.57 0.78 -0.42 1.13 6.56 -0.93 0.15 116.57 124.42 2b7e h LYS 14 Ca 0.03 -0.33 -0.09 0.00 -1.06 0.00 0.00 60.65 59.20 2b7e h LYS 14 Cb 1.03 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.65 2b7e h LYS 14 CO 0.10 0.95 -0.10 0.93 -2.06 0.00 0.00 179.45 179.27 2b7e h GLU 15 N 0.67 0.74 -0.34 3.15 4.39 -0.96 -2.43 114.58 119.80 2b7e h GLU 15 Ca 0.09 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.55 2b7e h GLU 15 Cb 0.78 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2b7e h GLU 15 CO 0.06 0.82 0.00 0.09 -1.16 0.00 0.00 179.01 178.82 2b7e n ASN 16 N -4.17 1.81 -2.40 1.42 5.03 0.68 -4.90 115.26 112.72 2b7e n ASN 16 Ca 0.01 -2.00 -0.20 0.00 0.87 0.00 0.00 54.58 53.26 2b7e n ASN 16 Cb 0.35 -0.23 0.01 0.00 -1.02 0.00 0.00 39.78 38.89 2b7e n ASN 16 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2b7e n GLN 17 N 0.48 -2.57 -2.54 3.52 6.02 -0.92 -4.95 117.38 116.41 2b7e n GLN 17 Ca 0.11 0.90 -0.40 0.00 -0.01 0.00 0.00 57.00 57.60 2b7e n GLN 17 Cb 0.29 -5.52 -0.05 0.00 1.02 0.00 0.00 30.24 25.98 2b7e n GLN 17 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2b7e s VAL 18 N -3.02 3.66 0.00 5.09 1.01 0.49 -5.01 120.40 122.62 2b7e s VAL 18 Ca 0.10 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.72 2b7e s VAL 18 Cb -0.04 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.29 2b7e s VAL 18 CO 0.12 0.38 0.00 -0.90 0.00 0.00 0.00 175.10 174.70 2b7e n ASP 19 N 1.40 0.00 0.22 3.32 5.68 -1.26 -4.74 116.55 121.18 2b7e n ASP 19 Ca -0.01 -0.10 0.07 0.00 -0.50 0.00 0.00 54.79 54.25 2b7e n ASP 19 Cb 0.45 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 41.03 2b7e n ASP 19 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2b7e h SER 20 N 0.00 0.06 -0.04 -1.12 0.02 -1.91 -2.07 113.55 108.49 2b7e h SER 20 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2b7e h SER 20 Cb 0.00 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2b7e h SER 20 CO 0.00 0.06 0.00 1.07 -1.14 0.00 0.00 176.83 176.82 2b7e n THR 21 N -4.51 0.07 -3.68 -2.27 5.66 -1.26 -4.80 114.28 103.50 2b7e n THR 21 Ca -0.02 -0.06 -0.37 0.00 -3.05 0.00 0.00 64.05 60.54 2b7e n THR 21 Cb 0.10 -0.04 -0.06 0.00 -1.55 0.00 0.00 70.33 68.78 2b7e n THR 21 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 2b7e s TRP 22 N -1.83 3.64 0.20 1.09 0.52 -0.78 -5.10 118.94 116.68 2b7e s TRP 22 Ca 0.03 0.74 -0.00 0.00 0.02 0.00 0.00 56.10 56.89 2b7e s TRP 22 Cb 0.02 -2.14 -0.04 0.00 -1.15 0.00 0.00 33.47 30.16 2b7e s TRP 22 CO 0.02 0.64 0.39 -1.12 0.02 0.00 0.00 176.95 176.90 2b7e s SER 23 N -0.88 6.38 -0.04 2.95 0.01 -1.26 -4.98 113.70 115.88 2b7e s SER 23 Ca 0.19 0.38 0.06 0.00 1.31 0.00 0.00 55.95 57.88 2b7e s SER 23 Cb -0.14 -2.00 0.23 0.00 0.21 0.00 0.00 66.02 64.32 2b7e s SER 23 CO 0.08 -0.04 1.03 0.33 0.41 0.00 0.00 173.24 175.05 2b7e n PHE 24 N -0.70 0.48 -0.04 2.43 7.35 -1.26 -1.43 117.46 124.28 2b7e n PHE 24 Ca -0.05 -0.19 -0.13 0.00 -0.76 0.00 0.00 57.45 56.32 2b7e n PHE 24 Cb 0.54 -0.11 -0.14 0.00 0.35 0.00 0.00 39.48 40.11 2b7e n PHE 24 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2b7e n SER 25 N 0.19 1.09 -0.03 -2.13 7.64 -1.26 -3.01 113.62 116.11 2b7e n SER 25 Ca 0.08 0.22 -0.09 0.00 1.01 0.00 0.00 58.87 60.09 2b7e n SER 25 Cb 0.37 -0.06 0.06 0.00 -1.01 0.00 0.00 64.21 63.57 2b7e n SER 25 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2b7e h ARG 26 N 0.02 0.65 0.48 1.43 2.43 -1.65 0.19 114.38 117.93 2b7e h ARG 26 Ca -0.40 -0.36 -0.02 0.00 -0.81 0.00 0.00 59.98 58.39 2b7e h ARG 26 Cb 2.06 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.63 2b7e h ARG 26 CO 0.05 0.96 -0.23 0.82 -1.51 0.00 0.00 179.97 180.07 2b7e h ILE 27 N 0.52 0.53 -0.65 1.20 2.04 -1.61 0.30 117.51 119.84 2b7e h ILE 27 Ca 0.03 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 2b7e h ILE 27 Cb 0.99 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 2b7e h ILE 27 CO 0.09 0.02 0.33 0.40 0.00 0.00 0.00 178.15 178.99 2b7e h ILE 28 N -0.70 1.20 0.19 -0.67 2.04 -1.44 0.24 117.51 118.38 2b7e h ILE 28 Ca -0.07 -0.53 -0.30 0.00 1.00 0.00 0.00 64.86 64.96 2b7e h ILE 28 Cb 0.52 0.35 0.03 0.00 -0.74 0.00 0.00 36.82 36.98 2b7e h ILE 28 CO 0.11 0.23 -1.28 -1.28 0.00 0.00 0.00 178.15 175.93 2b7e h SER 29 N 0.91 0.79 0.00 1.72 0.87 -0.49 -2.96 113.55 114.39 2b7e h SER 29 Ca 0.23 -0.90 -0.38 0.00 -1.23 0.00 0.00 61.79 59.51 2b7e h SER 29 Cb 0.05 -0.25 -0.07 0.00 -0.44 0.00 0.00 62.40 61.69 2b7e h SER 29 CO -0.03 1.62 -2.42 -0.62 -0.53 0.00 0.00 176.83 174.85 2b7e n GLU 30 N -3.83 0.67 0.12 2.24 1.02 0.10 -3.95 120.64 117.02 2b7e n GLU 30 Ca -0.15 0.06 0.05 0.00 -0.02 0.00 0.00 57.16 57.10 2b7e n GLU 30 Cb 1.01 -1.52 0.02 0.00 -0.02 0.00 0.00 31.44 30.93 2b7e n GLU 30 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2b7e h LEU 31 N 0.00 0.00 -0.18 -4.62 4.07 -0.58 0.48 115.31 114.48 2b7e h LEU 31 Ca -0.56 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.40 2b7e h LEU 31 Cb 2.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.84 2b7e h LEU 31 CO -0.02 0.35 0.00 0.61 -1.08 0.00 0.00 178.44 178.30 2b7e n GLY 32 N 1.24 -1.49 0.47 0.83 0.00 -1.05 -3.79 105.19 101.41 2b7e n GLY 32 Ca -0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 2b7e n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2b7e n THR 33 N -2.03 0.41 -0.21 2.61 -2.24 -1.06 -4.75 114.28 107.00 2b7e n THR 33 Ca 0.05 -0.13 -0.02 0.00 -2.27 0.00 0.00 64.05 61.68 2b7e n THR 33 Cb 0.34 -1.26 0.09 0.00 -2.10 0.00 0.00 70.33 67.40 2b7e n THR 33 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2b7e h ARG 34 N -0.16 0.58 -3.08 -0.78 3.08 -0.20 -3.43 114.38 110.39 2b7e h ARG 34 Ca -0.18 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.63 2b7e h ARG 34 Cb 1.20 -0.13 -0.30 0.00 0.08 0.00 0.00 29.97 30.82 2b7e h ARG 34 CO -0.08 0.38 -0.51 0.34 -1.07 0.00 0.00 179.97 179.04 2b7e s ASP 35 N -5.54 -0.23 0.00 7.04 -1.08 -1.25 -5.03 116.67 110.59 2b7e s ASP 35 Ca -0.13 0.47 0.07 0.00 -0.52 0.00 0.00 52.55 52.45 2b7e s ASP 35 Cb 0.16 0.37 0.37 0.00 -1.46 0.00 0.00 42.92 42.35 2b7e s ASP 35 CO 0.75 -0.16 1.06 -2.65 0.52 0.00 0.00 175.17 174.69 2b7e n PRO 36 N 4.15 0.12 0.07 4.34 -0.02 -1.26 -2.99 135.00 139.41 2b7e n PRO 36 Ca -0.25 0.19 0.19 0.00 -2.02 0.00 0.00 63.50 61.61 2b7e n PRO 36 Cb 0.53 -1.50 0.72 0.00 -0.02 0.00 0.00 33.50 33.23 2b7e n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2b7e h ARG 37 N 0.00 0.00 0.00 -0.52 3.08 -1.96 0.33 114.38 115.31 2b7e h ARG 37 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2b7e h ARG 37 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 2b7e h ARG 37 CO 0.00 0.00 -0.01 -0.92 -1.07 0.00 0.00 179.97 177.97 2b7e h TYR 38 N 0.00 0.00 0.00 3.04 3.20 -1.73 -3.00 116.97 118.48 2b7e h TYR 38 Ca 0.19 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 2b7e h TYR 38 Cb 0.84 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 2b7e h TYR 38 CO 0.00 0.01 -1.70 0.91 -1.64 0.00 0.00 178.16 175.74 2b7e n TRP 39 N -3.11 0.00 -0.28 -3.82 7.02 0.83 -4.33 117.44 113.74 2b7e n TRP 39 Ca -0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.46 2b7e n TRP 39 Cb 0.27 -0.39 0.10 0.00 -2.42 0.00 0.00 31.31 28.88 2b7e n TRP 39 CO 0.00 0.00 0.00 0.52 -2.02 0.00 0.00 177.69 176.19 2b7e h MET 40 N 0.00 0.91 -6.13 -0.99 2.86 -0.46 -3.38 114.93 107.75 2b7e h MET 40 Ca -0.07 -0.05 -0.56 0.00 -2.06 0.00 0.00 59.70 56.96 2b7e h MET 40 Cb 0.87 -0.20 -0.05 0.00 0.06 0.00 0.00 31.60 32.28 2b7e h MET 40 CO 0.00 0.60 0.10 0.54 1.06 0.00 0.00 176.91 179.22 2b7e s VAL 41 N -6.10 4.93 0.47 -2.22 0.11 -1.18 -5.03 120.40 111.39 2b7e s VAL 41 Ca -0.13 1.48 -0.24 0.00 -2.93 0.00 0.00 61.98 60.16 2b7e s VAL 41 Cb 0.17 -4.05 -0.08 0.00 -1.53 0.00 0.00 36.38 30.89 2b7e s VAL 41 CO 0.78 0.31 1.38 -0.90 -3.33 0.00 0.00 175.10 173.34 2b7e n ASP 42 N 3.35 3.01 -4.39 3.54 5.75 -1.26 -4.86 116.55 121.70 2b7e n ASP 42 Ca -0.02 1.08 -0.45 0.00 -0.01 0.00 0.00 54.79 55.39 2b7e n ASP 42 Cb 0.51 -1.58 -0.04 0.00 -1.03 0.00 0.00 41.12 38.98 2b7e n ASP 42 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2b7e s ASP 43 N -0.59 6.30 -0.54 -1.12 2.15 -1.26 -4.94 116.67 116.67 2b7e s ASP 43 Ca 0.64 -1.60 -0.10 0.00 0.43 0.00 0.00 52.55 51.91 2b7e s ASP 43 Cb -0.45 -2.32 0.14 0.00 -0.30 0.00 0.00 42.92 39.99 2b7e s ASP 43 CO 0.56 -1.08 0.42 -0.62 -0.17 0.00 0.00 175.17 174.27 2b7e s ASP 44 N 3.49 5.83 0.59 -0.34 -1.08 -1.26 -4.96 116.67 118.94 2b7e s ASP 44 Ca 0.16 -2.09 0.35 0.00 -0.52 0.00 0.00 52.55 50.45 2b7e s ASP 44 Cb -0.20 -2.04 1.87 0.00 -1.46 0.00 0.00 42.92 41.09 2b7e s ASP 44 CO 0.03 -0.66 2.20 -0.65 0.52 0.00 0.00 175.17 176.61 2b7e h PRO 45 N 8.27 0.00 -0.07 4.34 0.11 -1.96 0.48 132.00 143.17 2b7e h PRO 45 Ca -0.16 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.70 2b7e h PRO 45 Cb 1.06 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.18 2b7e h PRO 45 CO 0.85 0.04 -0.91 1.25 -0.21 0.00 0.00 178.00 179.02 2b7e h LEU 46 N 0.00 0.87 -0.27 2.35 7.12 -1.97 0.11 115.31 123.51 2b7e h LEU 46 Ca -0.00 -0.64 -0.20 0.00 0.13 0.00 0.00 57.88 57.17 2b7e h LEU 46 Cb 0.18 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.05 2b7e h LEU 46 CO 0.00 1.44 -0.71 -0.25 -0.13 0.00 0.00 178.44 178.79 2b7e h TRP 47 N 0.43 0.92 -0.38 1.25 7.01 -1.57 0.17 115.95 123.78 2b7e h TRP 47 Ca -0.09 -0.39 0.01 0.00 2.11 0.00 0.00 58.89 60.53 2b7e h TRP 47 Cb 1.55 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 28.44 2b7e h TRP 47 CO 0.09 1.19 0.25 0.87 -2.79 0.00 0.00 178.44 178.05 2b7e h LYS 48 N 0.49 0.48 0.05 2.65 1.79 -0.05 0.26 116.57 122.23 2b7e h LYS 48 Ca -0.03 -0.03 -0.29 0.00 -2.18 0.00 0.00 60.65 58.12 2b7e h LYS 48 Cb 1.32 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.83 2b7e h LYS 48 CO 0.14 0.32 -1.59 -0.22 -1.08 0.00 0.00 179.45 177.02 2b7e h LYS 49 N 0.50 0.10 -0.53 3.15 3.64 -0.63 -2.45 116.57 120.34 2b7e h LYS 49 Ca 0.14 -0.17 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 2b7e h LYS 49 Cb -0.02 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2b7e h LYS 49 CO -0.03 0.83 -0.11 0.93 -2.27 0.00 0.00 179.45 178.79 2b7e h GLU 50 N 0.03 1.00 0.00 1.90 4.39 -0.10 0.14 114.58 121.94 2b7e h GLU 50 Ca -0.25 -0.37 -0.10 0.00 0.34 0.00 0.00 59.36 58.98 2b7e h GLU 50 Cb 1.98 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.55 2b7e h GLU 50 CO 0.11 1.05 -0.47 0.00 -1.16 0.00 0.00 179.01 178.54 2b7e h MET 51 N 0.89 0.00 -0.25 2.33 -0.00 -0.61 -1.99 114.93 115.30 2b7e h MET 51 Ca 0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.71 2b7e h MET 51 Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.26 2b7e h MET 51 CO 0.05 0.47 -0.39 0.35 -0.00 0.00 0.00 176.91 177.39 2b7e h PHE 52 N 0.00 0.69 -0.13 -0.10 3.57 -1.01 0.28 116.94 120.24 2b7e h PHE 52 Ca -0.00 -0.20 -0.06 0.00 3.53 0.00 0.00 57.97 61.24 2b7e h PHE 52 Cb 1.10 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2b7e h PHE 52 CO 0.00 0.89 -0.18 0.93 -2.23 0.00 0.00 178.31 177.71 2b7e h GLU 53 N 0.48 0.22 -0.16 1.11 4.39 -0.33 -1.29 114.58 119.00 2b7e h GLU 53 Ca 0.04 -0.06 -0.21 0.00 0.34 0.00 0.00 59.36 59.48 2b7e h GLU 53 Cb 0.89 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 2b7e h GLU 53 CO 0.08 0.41 -0.72 -0.22 -1.16 0.00 0.00 179.01 177.39 2b7e h LYS 54 N 0.21 0.71 0.00 2.33 1.63 -1.00 -3.11 116.57 117.33 2b7e h LYS 54 Ca 0.04 -0.55 -0.01 0.00 -0.85 0.00 0.00 60.65 59.28 2b7e h LYS 54 Cb 0.45 0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.18 2b7e h LYS 54 CO 0.03 1.17 -0.05 -0.92 -3.45 0.00 0.00 179.45 176.23 2b7e h TYR 55 N 0.50 0.00 0.08 1.91 3.20 -0.23 0.72 116.97 123.14 2b7e h TYR 55 Ca -0.03 0.00 -0.26 0.00 3.14 0.00 0.00 58.73 61.57 2b7e h TYR 55 Cb 1.33 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 2b7e h TYR 55 CO 0.07 0.05 -1.27 -0.07 -1.64 0.00 0.00 178.16 175.30 2b7e h LEU 56 N 0.00 0.25 0.00 2.82 3.38 -1.20 -2.95 115.31 117.62 2b7e h LEU 56 Ca -0.00 -0.30 -0.43 0.00 0.09 0.00 0.00 57.88 57.23 2b7e h LEU 56 Cb 0.54 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 2b7e h LEU 56 CO 0.01 1.24 -2.51 -1.54 0.09 0.00 0.00 178.44 175.73 2b7e n SER 57 N -3.42 1.96 -0.08 -0.43 3.41 -1.08 -4.75 113.62 109.23 2b7e n SER 57 Ca -0.08 0.17 -0.22 0.00 -0.26 0.00 0.00 58.87 58.48 2b7e n SER 57 Cb 1.00 -0.66 -0.12 0.00 -0.26 0.00 0.00 64.21 64.17 2b7e n SER 57 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2b7e h ASN 58 N -0.63 0.11 0.00 4.04 -1.24 0.17 -3.51 115.58 114.51 2b7e h ASN 58 Ca -0.65 -0.62 0.00 0.00 0.71 0.00 0.00 56.30 55.73 2b7e h ASN 58 Cb 1.71 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.72 2b7e h ASN 58 CO -0.30 1.57 0.00 0.54 -1.29 0.00 0.00 177.43 177.94