#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b7e n ALA 2 N 0.00 4.69 0.13 4.61 0.00 -1.26 -4.80 120.51 123.89 2b7e n ALA 2 Ca 0.00 -4.20 -0.06 0.00 0.00 0.00 0.00 53.44 49.17 2b7e n ALA 2 Cb 0.00 -3.12 -0.03 0.00 0.00 0.00 0.00 19.45 16.30 2b7e n ALA 2 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2b7e h MET 3 N 6.43 -0.38 -0.08 0.00 0.00 -2.05 -0.51 114.93 118.33 2b7e h MET 3 Ca 0.39 0.03 -0.10 0.00 0.00 0.00 0.00 59.70 60.02 2b7e h MET 3 Cb 0.74 0.09 -0.01 0.00 0.00 0.00 0.00 31.60 32.41 2b7e h MET 3 CO 1.50 -0.26 -0.41 0.93 0.00 0.00 0.00 176.91 178.68 2b7e h GLU 4 N -0.86 0.17 -0.50 1.72 5.08 -1.99 -1.58 114.58 116.61 2b7e h GLU 4 Ca -0.04 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2b7e h GLU 4 Cb 0.31 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2b7e h GLU 4 CO 0.07 0.55 0.27 0.00 -1.00 0.00 0.00 179.01 178.90 2b7e h ALA 5 N 1.44 0.64 -0.25 3.43 0.00 -1.94 0.61 119.26 123.20 2b7e h ALA 5 Ca 0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2b7e h ALA 5 Cb 0.79 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2b7e h ALA 5 CO 0.06 0.17 0.14 1.49 0.00 0.00 0.00 179.25 181.10 2b7e h GLU 6 N 0.67 0.34 -0.24 0.00 4.81 -0.67 -0.42 114.58 119.06 2b7e h GLU 6 Ca 0.18 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.41 2b7e h GLU 6 Cb 0.06 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 2b7e h GLU 6 CO -0.03 0.30 -0.01 0.87 -0.73 0.00 0.00 179.01 179.41 2b7e h LYS 7 N 0.29 0.05 -0.08 1.92 1.57 -0.94 0.16 116.57 119.55 2b7e h LYS 7 Ca 0.09 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2b7e h LYS 7 Cb 0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2b7e h LYS 7 CO -0.01 0.04 -0.21 0.93 -0.57 0.00 0.00 179.45 179.62 2b7e h GLU 8 N 0.06 0.13 -0.38 3.15 5.08 -0.80 -0.15 114.58 121.67 2b7e h GLU 8 Ca 0.12 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 2b7e h GLU 8 Cb 0.16 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2b7e h GLU 8 CO -0.21 0.34 -0.38 0.35 -1.00 0.00 0.00 179.01 178.11 2b7e h PHE 9 N 0.12 1.11 -0.11 4.33 3.04 0.16 0.76 116.94 126.36 2b7e h PHE 9 Ca 0.02 -0.34 -0.20 0.00 3.98 0.00 0.00 57.97 61.43 2b7e h PHE 9 Cb 0.44 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.72 2b7e h PHE 9 CO 0.00 1.16 -0.76 0.82 -2.02 0.00 0.00 178.31 177.52 2b7e h ILE 10 N 0.74 1.33 -0.13 1.41 1.08 -0.42 -0.62 117.51 120.91 2b7e h ILE 10 Ca 0.06 -2.07 -0.06 0.00 -0.39 0.00 0.00 64.86 62.39 2b7e h ILE 10 Cb 0.98 2.06 -0.01 0.00 -3.07 0.00 0.00 36.82 36.78 2b7e h ILE 10 CO 0.10 0.64 -0.21 0.74 -0.69 0.00 0.00 178.15 178.72 2b7e h THR 11 N 0.39 1.21 -0.02 -0.27 2.02 -0.93 -1.42 112.91 113.89 2b7e h THR 11 Ca -0.04 -0.98 -0.20 0.00 0.77 0.00 0.00 66.41 65.96 2b7e h THR 11 Cb 1.36 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 69.11 2b7e h THR 11 CO 0.14 0.30 -0.83 -0.03 0.37 0.00 0.00 175.52 175.47 2b7e h MET 12 N 0.20 0.29 -0.40 6.66 1.85 -0.59 -1.71 114.93 121.24 2b7e h MET 12 Ca 0.04 -0.28 -0.14 0.00 -0.61 0.00 0.00 59.70 58.70 2b7e h MET 12 Cb 0.49 0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.59 2b7e h MET 12 CO 0.03 0.97 -0.30 -0.07 -0.40 0.00 0.00 176.91 177.14 2b7e h LEU 13 N 0.18 0.91 -0.49 3.39 3.38 -0.46 -1.08 115.31 121.14 2b7e h LEU 13 Ca -0.05 -0.38 -0.17 0.00 0.09 0.00 0.00 57.88 57.38 2b7e h LEU 13 Cb 1.44 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2b7e h LEU 13 CO 0.13 1.14 -0.73 0.11 0.09 0.00 0.00 178.44 179.19 2b7e h LYS 14 N 0.74 0.20 0.00 1.13 6.56 -1.25 -0.42 116.57 123.54 2b7e h LYS 14 Ca 0.08 -0.17 -0.01 0.00 -1.06 0.00 0.00 60.65 59.49 2b7e h LYS 14 Cb 0.87 0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.56 2b7e h LYS 14 CO 0.08 0.84 -0.03 0.93 -2.06 0.00 0.00 179.45 179.21 2b7e h GLU 15 N 0.13 0.00 -0.42 3.15 5.08 -1.06 -2.65 114.58 118.83 2b7e h GLU 15 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2b7e h GLU 15 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2b7e h GLU 15 CO 0.11 0.03 0.00 0.09 -1.00 0.00 0.00 179.01 178.24 2b7e n ASN 16 N -3.14 4.32 -2.58 1.42 3.02 -0.43 -4.95 115.26 112.91 2b7e n ASN 16 Ca 0.00 -2.74 -0.16 0.00 -0.03 0.00 0.00 54.58 51.65 2b7e n ASN 16 Cb 0.29 -0.54 -0.00 0.00 -0.61 0.00 0.00 39.78 38.92 2b7e n ASN 16 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2b7e n GLN 17 N 0.20 -2.45 -2.18 3.52 1.13 -1.00 -4.90 117.38 111.71 2b7e n GLN 17 Ca 0.22 0.69 -0.41 0.00 -1.94 0.00 0.00 57.00 55.56 2b7e n GLN 17 Cb 0.89 -5.33 -0.03 0.00 0.11 0.00 0.00 30.24 25.88 2b7e n GLN 17 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2b7e s VAL 18 N -2.77 2.99 0.00 5.09 1.01 -0.19 -4.99 120.40 121.53 2b7e s VAL 18 Ca 0.07 0.88 0.00 0.00 0.00 0.00 0.00 61.98 62.93 2b7e s VAL 18 Cb -0.03 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2b7e s VAL 18 CO 0.08 0.17 0.00 -0.67 0.00 0.00 0.00 175.10 174.68 2b7e n ASP 19 N 1.85 0.00 0.13 3.32 2.03 -1.26 -4.82 116.55 117.80 2b7e n ASP 19 Ca 0.04 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.47 2b7e n ASP 19 Cb 0.42 0.00 0.46 0.00 -0.72 0.00 0.00 41.12 41.28 2b7e n ASP 19 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2b7e h SER 20 N 0.00 0.00 0.29 1.67 4.64 -1.96 -2.21 113.55 115.98 2b7e h SER 20 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2b7e h SER 20 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2b7e h SER 20 CO 0.00 0.00 -0.05 1.07 -0.87 0.00 0.00 176.83 176.98 2b7e n THR 21 N -2.31 0.00 -3.31 2.95 5.66 -1.26 -4.74 114.28 111.26 2b7e n THR 21 Ca 0.04 -0.05 -0.38 0.00 -3.05 0.00 0.00 64.05 60.60 2b7e n THR 21 Cb 0.32 -0.21 -0.06 0.00 -1.55 0.00 0.00 70.33 68.83 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 -2.35 3.47 0.59 1.09 0.52 -0.83 -5.08 118.94 116.35 2b7e s TRP 22 Ca 0.34 0.83 0.04 0.00 0.02 0.00 0.00 56.10 57.33 2b7e s TRP 22 Cb 0.21 -2.57 0.07 0.00 -1.15 0.00 0.00 33.47 30.03 2b7e s TRP 22 CO 0.44 0.10 0.81 -1.54 0.02 0.00 0.00 176.95 176.78 2b7e s SER 23 N 0.77 5.00 -0.04 2.95 1.04 -1.26 -4.91 113.70 117.25 2b7e s SER 23 Ca 0.25 -0.41 0.06 0.00 0.48 0.00 0.00 55.95 56.33 2b7e s SER 23 Cb -0.15 -0.26 0.24 0.00 0.10 0.00 0.00 66.02 65.95 2b7e s SER 23 CO 0.10 -1.36 1.04 0.33 0.98 0.00 0.00 173.24 174.33 2b7e n PHE 24 N -2.39 0.51 -0.04 5.02 7.35 -1.26 -2.01 117.46 124.64 2b7e n PHE 24 Ca 0.12 -0.20 -0.13 0.00 -0.76 0.00 0.00 57.45 56.48 2b7e n PHE 24 Cb 0.60 -0.12 -0.14 0.00 0.35 0.00 0.00 39.48 40.17 2b7e n PHE 24 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2b7e n SER 25 N 0.21 1.07 0.07 -2.13 2.88 -1.26 -2.97 113.62 111.49 2b7e n SER 25 Ca 0.09 0.23 -0.07 0.00 -1.33 0.00 0.00 58.87 57.79 2b7e n SER 25 Cb 0.39 -0.05 0.08 0.00 -0.75 0.00 0.00 64.21 63.88 2b7e n SER 25 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2b7e h ARG 26 N 0.02 0.31 -0.63 -1.46 2.43 -1.79 0.36 114.38 113.63 2b7e h ARG 26 Ca -0.40 -0.23 -0.08 0.00 -0.81 0.00 0.00 59.98 58.46 2b7e h ARG 26 Cb 2.06 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 31.62 2b7e h ARG 26 CO 0.05 0.86 0.08 0.82 -1.51 0.00 0.00 179.97 180.27 2b7e h ILE 27 N 0.22 1.26 0.01 1.20 2.04 -1.61 0.20 117.51 120.84 2b7e h ILE 27 Ca -0.01 -1.03 -0.16 0.00 1.00 0.00 0.00 64.86 64.65 2b7e h ILE 27 Cb 1.19 0.68 0.01 0.00 -0.74 0.00 0.00 36.82 37.97 2b7e h ILE 27 CO 0.11 0.38 -0.65 0.40 0.00 0.00 0.00 178.15 178.38 2b7e h ILE 28 N 0.97 1.43 -0.08 -0.67 2.04 -1.41 -1.93 117.51 117.85 2b7e h ILE 28 Ca 0.19 -2.14 -0.22 0.00 1.00 0.00 0.00 64.86 63.69 2b7e h ILE 28 Cb 0.44 2.64 0.01 0.00 -0.74 0.00 0.00 36.82 39.17 2b7e h ILE 28 CO 0.01 0.62 -0.85 0.77 0.00 0.00 0.00 178.15 178.70 2b7e h SER 29 N -0.10 0.76 0.00 1.72 4.64 -0.17 -3.30 113.55 117.10 2b7e h SER 29 Ca -0.09 -0.54 -0.19 0.00 -0.47 0.00 0.00 61.79 60.50 2b7e h SER 29 Cb 1.37 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 63.20 2b7e h SER 29 CO 0.13 1.33 -1.73 -0.62 -0.87 0.00 0.00 176.83 175.06 2b7e n GLU 30 N -3.86 0.80 0.04 4.77 -0.58 0.66 -4.73 120.64 117.73 2b7e n GLU 30 Ca -0.07 0.06 0.12 0.00 -0.42 0.00 0.00 57.16 56.85 2b7e n GLU 30 Cb 0.78 -1.26 0.25 0.00 -0.57 0.00 0.00 31.44 30.64 2b7e n GLU 30 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2b7e n LEU 31 N -2.76 0.57 0.10 -4.62 7.94 -0.90 -0.35 117.00 116.99 2b7e n LEU 31 Ca -0.22 0.19 0.12 0.00 -1.11 0.00 0.00 56.01 55.00 2b7e n LEU 31 Cb 0.77 -0.24 0.28 0.00 0.53 0.00 0.00 43.42 44.76 2b7e n LEU 31 CO 0.15 0.01 0.66 1.23 -1.11 0.00 0.00 177.39 178.32 2b7e h GLY 32 N 4.72 0.00 0.00 -3.96 0.00 -1.44 -3.37 103.07 99.02 2b7e h GLY 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2b7e h GLY 32 CO 0.00 0.00 -0.99 -1.30 0.00 0.00 0.00 176.54 174.25 2b7e n THR 33 N -2.33 0.00 -0.37 4.70 -2.24 -1.08 -4.70 114.28 108.26 2b7e n THR 33 Ca 0.04 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.85 2b7e n THR 33 Cb 0.45 -0.54 0.18 0.00 -2.10 0.00 0.00 70.33 68.32 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 0.00 1.14 -2.56 -0.78 3.08 -0.86 -3.42 114.38 110.97 2b7e h ARG 34 Ca 0.00 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 2b7e h ARG 34 Cb 0.69 -0.26 -0.26 0.00 0.08 0.00 0.00 29.97 30.22 2b7e h ARG 34 CO 0.00 0.75 -0.26 0.34 -1.07 0.00 0.00 179.97 179.73 2b7e s ASP 35 N -5.89 -0.57 0.00 7.04 -1.08 -1.26 -5.03 116.67 109.88 2b7e s ASP 35 Ca -0.12 0.97 0.10 0.00 -0.52 0.00 0.00 52.55 52.98 2b7e s ASP 35 Cb 0.20 0.85 0.59 0.00 -1.46 0.00 0.00 42.92 43.11 2b7e s ASP 35 CO 0.81 -0.20 1.07 -2.65 0.52 0.00 0.00 175.17 174.73 2b7e n PRO 36 N 4.28 0.29 0.32 4.34 -0.02 -1.26 -2.85 135.00 140.10 2b7e n PRO 36 Ca -0.23 0.03 0.20 0.00 -2.02 0.00 0.00 63.50 61.49 2b7e n PRO 36 Cb 0.56 -1.50 1.09 0.00 -0.02 0.00 0.00 33.50 33.62 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 -1.95 0.16 114.38 115.15 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 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2b7e h ARG 37 CO 0.00 0.01 0.00 -0.92 -1.07 0.00 0.00 179.97 177.99 2b7e h TYR 38 N 0.00 0.00 0.00 3.04 3.20 -1.77 -2.89 116.97 118.55 2b7e h TYR 38 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2b7e h TYR 38 Cb 0.07 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.34 2b7e h TYR 38 CO 0.00 0.00 -1.51 0.91 -1.64 0.00 0.00 178.16 175.92 2b7e n TRP 39 N -2.88 0.00 -0.27 -3.82 7.02 0.49 -4.26 117.44 113.73 2b7e n TRP 39 Ca 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.47 2b7e n TRP 39 Cb 0.24 -0.29 0.17 0.00 -2.42 0.00 0.00 31.31 29.02 2b7e n TRP 39 CO 0.00 0.00 0.00 1.98 -2.02 0.00 0.00 177.69 177.65 2b7e h MET 40 N 0.00 1.11 -5.97 -0.99 4.05 -1.16 -3.39 114.93 108.57 2b7e h MET 40 Ca 0.00 -0.10 -0.61 0.00 -0.28 0.00 0.00 59.70 58.71 2b7e h MET 40 Cb 0.68 -0.23 -0.06 0.00 -0.80 0.00 0.00 31.60 31.19 2b7e h MET 40 CO 0.00 0.78 -0.22 0.54 0.23 0.00 0.00 176.91 178.24 2b7e s VAL 41 N -5.83 5.06 0.49 -5.77 0.11 -1.24 -5.03 120.40 108.20 2b7e s VAL 41 Ca -0.12 0.81 -0.23 0.00 -2.93 0.00 0.00 61.98 59.51 2b7e s VAL 41 Cb 0.17 -3.70 -0.06 0.00 -1.53 0.00 0.00 36.38 31.26 2b7e s VAL 41 CO 0.80 0.57 1.28 1.51 -3.33 0.00 0.00 175.10 175.94 2b7e s ASP 42 N -0.97 5.76 -0.69 3.54 -4.77 -1.26 -4.84 116.67 113.43 2b7e s ASP 42 Ca 0.23 2.59 -0.26 0.00 -3.30 0.00 0.00 52.55 51.82 2b7e s ASP 42 Cb -0.16 -2.63 -0.04 0.00 -1.09 0.00 0.00 42.92 39.00 2b7e s ASP 42 CO 0.13 -1.22 1.97 -0.62 0.70 0.00 0.00 175.17 176.12 2b7e s ASP 43 N -1.05 5.08 -0.36 2.11 2.15 -1.26 -4.89 116.67 118.45 2b7e s ASP 43 Ca 0.66 0.11 0.03 0.00 0.43 0.00 0.00 52.55 53.78 2b7e s ASP 43 Cb -0.36 -2.54 0.11 0.00 -0.30 0.00 0.00 42.92 39.83 2b7e s ASP 43 CO 0.44 -2.61 0.09 -0.62 -0.17 0.00 0.00 175.17 172.30 2b7e s ASP 44 N 8.62 4.55 0.44 -0.34 -1.08 -1.26 -5.00 116.67 122.60 2b7e s ASP 44 Ca 0.72 -2.21 0.10 0.00 -0.52 0.00 0.00 52.55 50.65 2b7e s ASP 44 Cb -0.11 -1.49 0.99 0.00 -1.46 0.00 0.00 42.92 40.84 2b7e s ASP 44 CO 0.14 -0.36 2.07 -0.65 0.52 0.00 0.00 175.17 176.89 2b7e h PRO 45 N 7.51 0.33 -0.01 4.34 0.11 -1.98 0.26 132.00 142.56 2b7e h PRO 45 Ca -0.06 -0.03 -0.25 0.00 0.11 0.00 0.00 66.00 65.78 2b7e h PRO 45 Cb 1.00 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.05 2b7e h PRO 45 CO 0.53 0.24 -0.98 -0.07 -0.21 0.00 0.00 178.00 177.51 2b7e h LEU 46 N 0.33 0.77 -0.34 2.35 -0.00 -1.98 -1.08 115.31 115.36 2b7e h LEU 46 Ca 0.09 -0.61 -0.19 0.00 -0.00 0.00 0.00 57.88 57.17 2b7e h LEU 46 Cb 0.01 -0.24 -0.00 0.00 -0.00 0.00 0.00 40.66 40.43 2b7e h LEU 46 CO -0.02 1.41 -0.72 -0.25 -0.00 0.00 0.00 178.44 178.86 2b7e h TRP 47 N 0.34 0.72 -0.39 1.13 7.01 -1.86 0.10 115.95 123.01 2b7e h TRP 47 Ca -0.10 -0.31 -0.01 0.00 2.11 0.00 0.00 58.89 60.57 2b7e h TRP 47 Cb 1.63 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 28.55 2b7e h TRP 47 CO 0.09 1.09 0.20 0.87 -2.79 0.00 0.00 178.44 177.89 2b7e h LYS 48 N 0.37 0.53 0.17 2.65 6.56 -0.44 0.34 116.57 126.74 2b7e h LYS 48 Ca -0.03 -0.05 -0.30 0.00 -1.06 0.00 0.00 60.65 59.21 2b7e h LYS 48 Cb 1.31 -0.11 0.03 0.00 -0.57 0.00 0.00 32.23 32.89 2b7e h LYS 48 CO 0.13 0.40 -1.26 0.87 -2.06 0.00 0.00 179.45 177.53 2b7e h LYS 49 N 0.53 0.56 -0.42 3.15 1.57 -0.99 -2.40 116.57 118.58 2b7e h LYS 49 Ca 0.14 -0.83 -0.06 0.00 -1.87 0.00 0.00 60.65 58.03 2b7e h LYS 49 Cb 0.04 0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2b7e h LYS 49 CO -0.02 1.38 0.02 0.93 -0.57 0.00 0.00 179.45 181.19 2b7e h GLU 50 N 0.15 0.72 0.00 3.15 5.08 -0.36 -0.13 114.58 123.20 2b7e h GLU 50 Ca -0.21 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 57.81 2b7e h GLU 50 Cb 1.96 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 31.12 2b7e h GLU 50 CO 0.24 0.79 -0.60 0.00 -1.00 0.00 0.00 179.01 178.44 2b7e h MET 51 N 0.56 0.00 -0.31 2.33 -0.00 -0.45 -1.36 114.93 115.70 2b7e h MET 51 Ca 0.12 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.67 2b7e h MET 51 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.05 2b7e h MET 51 CO 0.02 0.60 -0.41 0.35 -0.00 0.00 0.00 176.91 177.47 2b7e h PHE 52 N 0.00 0.90 0.00 -0.10 3.57 -1.13 0.15 116.94 120.34 2b7e h PHE 52 Ca -0.01 -0.27 -0.07 0.00 3.53 0.00 0.00 57.97 61.16 2b7e h PHE 52 Cb 1.13 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 2b7e h PHE 52 CO 0.00 1.04 -0.31 0.93 -2.23 0.00 0.00 178.31 177.73 2b7e h GLU 53 N 0.61 0.00 -0.14 1.11 5.08 -0.77 -1.96 114.58 118.51 2b7e h GLU 53 Ca 0.05 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.21 2b7e h GLU 53 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2b7e h GLU 53 CO 0.09 0.31 -0.71 -0.22 -1.00 0.00 0.00 179.01 177.48 2b7e h LYS 54 N 0.00 0.62 -0.03 2.33 1.63 -0.69 0.87 116.57 121.30 2b7e h LYS 54 Ca -0.00 -0.48 -0.03 0.00 -0.85 0.00 0.00 60.65 59.28 2b7e h LYS 54 Cb 0.72 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.44 2b7e h LYS 54 CO 0.04 1.10 -0.14 -0.92 -3.45 0.00 0.00 179.45 176.08 2b7e h TYR 55 N 0.43 0.05 0.04 1.91 3.20 -0.11 0.56 116.97 123.04 2b7e h TYR 55 Ca -0.03 -0.00 -0.31 0.00 3.14 0.00 0.00 58.73 61.52 2b7e h TYR 55 Cb 1.31 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.52 2b7e h TYR 55 CO 0.06 0.19 -1.78 -0.07 -1.64 0.00 0.00 178.16 174.93 2b7e h LEU 56 N 0.05 0.12 0.03 2.82 3.38 -1.26 -2.83 115.31 117.62 2b7e h LEU 56 Ca 0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 2b7e h LEU 56 Cb 0.28 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.99 2b7e h LEU 56 CO 0.02 1.24 -0.19 -1.28 0.09 0.00 0.00 178.44 178.32 2b7e h SER 57 N 0.02 0.11 0.00 -0.43 0.87 -0.51 -3.41 113.55 110.20 2b7e h SER 57 Ca -0.32 -0.98 -0.42 0.00 -1.23 0.00 0.00 61.79 58.84 2b7e h SER 57 Cb 2.02 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 63.87 2b7e h SER 57 CO 0.08 1.08 -2.47 0.59 -0.53 0.00 0.00 176.83 175.59 2b7e n ASN 58 N -4.50 1.96 0.00 6.23 5.03 0.19 -5.06 115.26 119.10 2b7e n ASN 58 Ca -0.11 0.13 0.00 0.00 0.87 0.00 0.00 54.58 55.47 2b7e n ASN 58 Cb 0.56 -0.62 0.00 0.00 -1.02 0.00 0.00 39.78 38.69 2b7e n ASN 58 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97