#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 -0.43 0.02 4.61 0.00 -1.26 -4.89 120.51 118.56 2b7e n ALA 2 Ca 0.00 0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.50 2b7e n ALA 2 Cb 0.00 -1.89 -0.09 0.00 0.00 0.00 0.00 19.45 17.47 2b7e n ALA 2 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2b7e h MET 3 N 0.00 -0.06 -0.50 0.00 1.85 -2.04 0.23 114.93 114.41 2b7e h MET 3 Ca -0.40 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 58.67 2b7e h MET 3 Cb 1.25 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 33.28 2b7e h MET 3 CO 0.51 0.30 0.23 0.93 -0.40 0.00 0.00 176.91 178.48 2b7e h GLU 4 N -0.44 0.73 -0.49 0.39 3.07 -1.99 -0.73 114.58 115.11 2b7e h GLU 4 Ca -0.01 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 2b7e h GLU 4 Cb 0.40 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 2b7e h GLU 4 CO 0.01 0.63 0.32 0.00 -1.40 0.00 0.00 179.01 178.56 2b7e h ALA 5 N 1.07 0.63 0.25 3.43 0.00 -1.92 -0.62 119.26 122.10 2b7e h ALA 5 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2b7e h ALA 5 Cb 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2b7e h ALA 5 CO -0.02 0.09 -0.24 1.49 0.00 0.00 0.00 179.25 180.57 2b7e h GLU 6 N 0.66 -0.50 -0.47 0.00 4.81 -0.24 0.59 114.58 119.43 2b7e h GLU 6 Ca 0.18 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.54 2b7e h GLU 6 Cb -0.05 0.11 -0.09 0.00 0.63 0.00 0.00 28.75 29.35 2b7e h GLU 6 CO -0.04 -0.33 -0.14 -0.22 -0.73 0.00 0.00 179.01 177.55 2b7e h LYS 7 N -0.52 -0.02 -0.92 1.92 3.64 -0.90 0.23 116.57 119.99 2b7e h LYS 7 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2b7e h LYS 7 Cb 0.48 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 2b7e h LYS 7 CO -0.04 -0.02 0.54 0.93 -2.27 0.00 0.00 179.45 178.59 2b7e h GLU 8 N -0.02 1.26 -0.54 1.90 4.39 -0.88 -0.33 114.58 120.36 2b7e h GLU 8 Ca 0.23 -0.12 -0.12 0.00 0.34 0.00 0.00 59.36 59.69 2b7e h GLU 8 Cb 0.37 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2b7e h GLU 8 CO -0.50 0.90 -0.13 0.35 -1.16 0.00 0.00 179.01 178.47 2b7e h PHE 9 N 1.28 1.16 -0.04 4.33 3.04 0.77 0.15 116.94 127.62 2b7e h PHE 9 Ca 0.33 -0.25 -0.22 0.00 3.98 0.00 0.00 57.97 61.82 2b7e h PHE 9 Cb -0.03 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.20 2b7e h PHE 9 CO 0.01 1.08 -0.87 0.82 -2.02 0.00 0.00 178.31 177.33 2b7e h ILE 10 N 0.91 1.37 0.00 1.41 1.08 -0.39 -0.82 117.51 121.07 2b7e h ILE 10 Ca 0.14 -2.28 -0.10 0.00 -0.39 0.00 0.00 64.86 62.23 2b7e h ILE 10 Cb 0.70 2.27 -0.01 0.00 -3.07 0.00 0.00 36.82 36.71 2b7e h ILE 10 CO 0.05 0.69 -0.46 0.74 -0.69 0.00 0.00 178.15 178.48 2b7e h THR 11 N 0.29 1.14 -0.04 -0.27 2.02 -0.93 -1.12 112.91 114.01 2b7e h THR 11 Ca -0.07 -1.69 -0.19 0.00 0.77 0.00 0.00 66.41 65.23 2b7e h THR 11 Cb 1.48 1.96 -0.00 0.00 -1.74 0.00 0.00 68.15 69.85 2b7e h THR 11 CO 0.15 0.45 -0.80 -0.03 0.37 0.00 0.00 175.52 175.67 2b7e h MET 12 N 0.00 0.35 -0.37 6.66 1.85 -0.51 0.12 114.93 123.04 2b7e h MET 12 Ca -0.00 -0.32 -0.13 0.00 -0.61 0.00 0.00 59.70 58.63 2b7e h MET 12 Cb 0.92 0.08 -0.01 0.00 0.43 0.00 0.00 31.60 33.02 2b7e h MET 12 CO 0.06 0.99 -0.29 -0.07 -0.40 0.00 0.00 176.91 177.19 2b7e h LEU 13 N 0.22 0.83 -0.31 3.39 -0.00 -0.74 -0.01 115.31 118.69 2b7e h LEU 13 Ca -0.04 -0.33 -0.10 0.00 -0.00 0.00 0.00 57.88 57.41 2b7e h LEU 13 Cb 1.40 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 41.82 2b7e h LEU 13 CO 0.13 1.06 -0.19 0.11 -0.00 0.00 0.00 178.44 179.55 2b7e h LYS 14 N 0.68 0.68 0.00 1.13 1.57 -1.07 0.46 116.57 120.01 2b7e h LYS 14 Ca 0.08 -0.31 -0.06 0.00 -1.87 0.00 0.00 60.65 58.48 2b7e h LYS 14 Cb 0.83 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 2b7e h LYS 14 CO 0.07 0.91 -0.29 0.93 -0.57 0.00 0.00 179.45 180.50 2b7e h GLU 15 N 0.43 0.00 -0.48 3.15 5.08 -0.80 -1.28 114.58 120.68 2b7e h GLU 15 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2b7e h GLU 15 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2b7e h GLU 15 CO 0.05 0.29 0.00 0.09 -1.00 0.00 0.00 179.01 178.45 2b7e n ASN 16 N -4.14 2.51 -2.68 1.42 3.02 -0.03 -4.91 115.26 110.45 2b7e n ASN 16 Ca -0.02 -2.07 -0.18 0.00 -0.03 0.00 0.00 54.58 52.28 2b7e n ASN 16 Cb 0.34 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 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 0.73 -2.78 -2.00 3.52 1.13 -0.48 -4.90 117.38 112.59 2b7e n GLN 17 Ca 0.15 0.76 -0.42 0.00 -1.94 0.00 0.00 57.00 55.55 2b7e n GLN 17 Cb 0.42 -5.45 -0.03 0.00 0.11 0.00 0.00 30.24 25.29 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 -2.89 2.82 0.00 5.09 1.01 0.12 -4.99 120.40 121.56 2b7e s VAL 18 Ca 0.12 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.69 2b7e s VAL 18 Cb -0.06 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.94 2b7e s VAL 18 CO 0.15 0.05 0.00 -0.90 0.00 0.00 0.00 175.10 174.39 2b7e n ASP 19 N 3.95 0.00 0.12 3.32 5.75 -1.26 -4.80 116.55 123.63 2b7e n ASP 19 Ca 0.13 -0.41 0.17 0.00 -0.01 0.00 0.00 54.79 54.67 2b7e n ASP 19 Cb 0.40 0.00 0.73 0.00 -1.03 0.00 0.00 41.12 41.22 2b7e n ASP 19 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2b7e h SER 20 N 0.00 0.00 0.52 -1.12 4.64 -1.94 -1.01 113.55 114.65 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 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 2b7e n THR 21 N -4.18 0.31 -3.15 2.95 -2.24 -1.26 -4.72 114.28 102.00 2b7e n THR 21 Ca 0.05 0.08 -0.39 0.00 -2.27 0.00 0.00 64.05 61.51 2b7e n THR 21 Cb 0.42 -0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 67.90 2b7e n THR 21 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2b7e s TRP 22 N -2.68 3.44 0.46 4.78 0.52 -0.38 -5.07 118.94 120.01 2b7e s TRP 22 Ca 0.19 0.97 -0.12 0.00 0.02 0.00 0.00 56.10 57.16 2b7e s TRP 22 Cb 0.15 -2.74 -0.06 0.00 -1.15 0.00 0.00 33.47 29.67 2b7e s TRP 22 CO 0.37 -0.05 0.86 0.45 0.02 0.00 0.00 176.95 178.60 2b7e s SER 23 N 1.00 6.50 -0.01 2.95 0.15 -1.26 -4.93 113.70 118.10 2b7e s SER 23 Ca 0.30 1.27 0.01 0.00 0.70 0.00 0.00 55.95 58.22 2b7e s SER 23 Cb -0.16 -2.38 0.04 0.00 -1.71 0.00 0.00 66.02 61.80 2b7e s SER 23 CO 0.12 -0.52 0.78 0.33 1.20 0.00 0.00 173.24 175.15 2b7e n PHE 24 N -1.61 0.08 -0.04 3.44 7.35 -1.26 -0.82 117.46 124.60 2b7e n PHE 24 Ca 0.04 -0.03 -0.10 0.00 -0.76 0.00 0.00 57.45 56.60 2b7e n PHE 24 Cb 0.54 -0.06 -0.14 0.00 0.35 0.00 0.00 39.48 40.16 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 -0.16 0.79 0.01 -2.13 2.88 -1.26 -3.01 113.62 110.74 2b7e n SER 25 Ca 0.01 0.31 -0.14 0.00 -1.33 0.00 0.00 58.87 57.73 2b7e n SER 25 Cb 0.17 0.10 -0.02 0.00 -0.75 0.00 0.00 64.21 63.70 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 0.00 0.61 0.20 -1.46 2.43 -1.36 0.17 114.38 114.98 2b7e h ARG 26 Ca -0.35 -0.50 -0.01 0.00 -0.81 0.00 0.00 59.98 58.31 2b7e h ARG 26 Cb 2.06 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.72 2b7e h ARG 26 CO 0.07 1.12 -0.10 0.82 -1.51 0.00 0.00 179.97 180.38 2b7e h ILE 27 N 0.42 0.86 -0.74 1.20 2.04 -1.67 0.29 117.51 119.91 2b7e h ILE 27 Ca -0.04 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2b7e h ILE 27 Cb 1.37 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 38.46 2b7e h ILE 27 CO 0.15 0.07 0.43 0.40 0.00 0.00 0.00 178.15 179.20 2b7e h ILE 28 N -0.43 1.21 0.12 -0.67 2.04 -1.49 0.29 117.51 118.59 2b7e h ILE 28 Ca -0.03 -0.49 -0.29 0.00 1.00 0.00 0.00 64.86 65.04 2b7e h ILE 28 Cb 0.33 0.21 0.03 0.00 -0.74 0.00 0.00 36.82 36.64 2b7e h ILE 28 CO 0.05 0.23 -1.24 -1.28 0.00 0.00 0.00 178.15 175.91 2b7e h SER 29 N 1.01 0.81 0.00 1.72 0.87 -0.57 -3.28 113.55 114.11 2b7e h SER 29 Ca 0.26 -0.76 -0.24 0.00 -1.23 0.00 0.00 61.79 59.82 2b7e h SER 29 Cb -0.01 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.65 2b7e h SER 29 CO -0.05 1.57 -1.92 -0.62 -0.53 0.00 0.00 176.83 175.28 2b7e n GLU 30 N -3.76 0.85 0.08 2.24 1.02 0.10 -4.58 120.64 116.59 2b7e n GLU 30 Ca -0.13 0.07 -0.08 0.00 -0.02 0.00 0.00 57.16 57.00 2b7e n GLU 30 Cb 0.99 -1.33 -0.06 0.00 -0.02 0.00 0.00 31.44 31.02 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 0.10 -1.72 -4.62 4.07 -0.39 0.27 115.31 113.02 2b7e h LEU 31 Ca -0.36 -0.09 0.05 0.00 0.08 0.00 0.00 57.88 57.56 2b7e h LEU 31 Cb 1.64 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 43.32 2b7e h LEU 31 CO -0.03 0.99 0.28 1.23 -1.08 0.00 0.00 178.44 179.83 2b7e h GLY 32 N 2.45 0.43 0.00 0.83 0.00 -1.37 -2.14 103.07 103.26 2b7e h GLY 32 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2b7e h GLY 32 CO 0.13 0.11 -1.72 -0.37 0.00 0.00 0.00 176.54 174.69 2b7e n THR 33 N -4.48 0.00 0.07 4.70 5.66 -1.05 -4.43 114.28 114.75 2b7e n THR 33 Ca 0.05 -0.37 -0.10 0.00 -3.05 0.00 0.00 64.05 60.58 2b7e n THR 33 Cb 0.23 0.16 0.01 0.00 -1.55 0.00 0.00 70.33 69.18 2b7e n THR 33 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2b7e h ARG 34 N 0.00 0.33 -2.93 1.09 3.08 -0.24 -3.45 114.38 112.27 2b7e h ARG 34 Ca 0.00 -0.31 -0.18 0.00 0.07 0.00 0.00 59.98 59.56 2b7e h ARG 34 Cb 0.76 0.08 -0.29 0.00 0.08 0.00 0.00 29.97 30.60 2b7e h ARG 34 CO 0.00 0.98 -0.44 0.34 -1.07 0.00 0.00 179.97 179.78 2b7e s ASP 35 N -6.98 -0.31 0.00 7.04 -1.08 -0.83 -5.02 116.67 109.49 2b7e s ASP 35 Ca -0.05 0.62 0.13 0.00 -0.52 0.00 0.00 52.55 52.73 2b7e s ASP 35 Cb 0.10 0.50 0.66 0.00 -1.46 0.00 0.00 42.92 42.72 2b7e s ASP 35 CO 0.84 -0.17 1.34 -2.65 0.52 0.00 0.00 175.17 175.05 2b7e n PRO 36 N 4.27 0.17 0.29 4.34 -0.02 -1.26 -2.77 135.00 140.01 2b7e n PRO 36 Ca -0.24 0.17 0.14 0.00 -2.02 0.00 0.00 63.50 61.55 2b7e n PRO 36 Cb 0.53 -1.50 0.85 0.00 -0.02 0.00 0.00 33.50 33.37 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 -1.94 0.92 114.38 115.92 2b7e h ARG 37 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2b7e h ARG 37 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 2b7e h ARG 37 CO 0.00 0.04 -0.07 -0.92 -1.07 0.00 0.00 179.97 177.96 2b7e h TYR 38 N 0.00 0.00 0.00 3.04 3.20 -1.80 -2.83 116.97 118.58 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 0.12 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.39 2b7e h TYR 38 CO 0.00 0.07 -1.66 0.91 -1.64 0.00 0.00 178.16 175.84 2b7e n TRP 39 N -3.25 0.04 -0.34 -3.82 5.03 0.23 -4.21 117.44 111.14 2b7e n TRP 39 Ca -0.00 0.01 0.18 0.00 3.03 0.00 0.00 57.50 60.72 2b7e n TRP 39 Cb 0.29 -0.38 0.41 0.00 -1.03 0.00 0.00 31.31 30.60 2b7e n TRP 39 CO 0.00 0.00 0.00 0.52 -0.03 0.00 0.00 177.69 178.18 2b7e h MET 40 N 0.00 0.55 -5.31 -0.99 2.86 -1.06 -3.35 114.93 107.62 2b7e h MET 40 Ca 0.00 -0.03 -0.65 0.00 -2.06 0.00 0.00 59.70 56.95 2b7e h MET 40 Cb 0.86 -0.12 -0.26 0.00 0.06 0.00 0.00 31.60 32.14 2b7e h MET 40 CO 0.00 0.36 -0.74 0.54 1.06 0.00 0.00 176.91 178.13 2b7e s VAL 41 N -5.69 3.22 0.46 -2.22 0.11 -1.26 -4.95 120.40 110.07 2b7e s VAL 41 Ca -0.10 -0.60 -0.25 0.00 -2.93 0.00 0.00 61.98 58.10 2b7e s VAL 41 Cb 0.26 -2.37 -0.08 0.00 -1.53 0.00 0.00 36.38 32.66 2b7e s VAL 41 CO 0.80 0.52 1.41 -0.90 -3.33 0.00 0.00 175.10 173.59 2b7e n ASP 42 N 3.53 3.17 -4.55 3.54 5.75 -1.26 -4.79 116.55 121.94 2b7e n ASP 42 Ca -0.18 1.10 -0.40 0.00 -0.01 0.00 0.00 54.79 55.30 2b7e n ASP 42 Cb 0.53 -1.59 -0.03 0.00 -1.03 0.00 0.00 41.12 39.00 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 -0.53 5.89 -0.60 -1.12 2.15 -1.26 -4.93 116.67 116.28 2b7e s ASP 43 Ca 0.62 -0.27 -0.18 0.00 0.43 0.00 0.00 52.55 53.15 2b7e s ASP 43 Cb -0.45 -2.55 0.12 0.00 -0.30 0.00 0.00 42.92 39.73 2b7e s ASP 43 CO 0.57 -2.00 0.67 -0.62 -0.17 0.00 0.00 175.17 173.61 2b7e s ASP 44 N 5.17 6.22 0.46 -0.34 -1.08 -1.26 -4.94 116.67 120.90 2b7e s ASP 44 Ca 0.46 -1.61 0.14 0.00 -0.52 0.00 0.00 52.55 51.02 2b7e s ASP 44 Cb -0.09 -2.28 1.07 0.00 -1.46 0.00 0.00 42.92 40.16 2b7e s ASP 44 CO 0.15 -1.02 2.04 -0.65 0.52 0.00 0.00 175.17 176.21 2b7e h PRO 45 N 9.03 0.04 -0.27 4.34 0.11 -1.97 0.29 132.00 143.57 2b7e h PRO 45 Ca -0.26 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.66 2b7e h PRO 45 Cb 1.09 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2b7e h PRO 45 CO 1.07 0.15 -0.54 1.25 -0.21 0.00 0.00 178.00 179.72 2b7e h LEU 46 N 0.04 0.90 -0.11 2.35 7.12 -1.98 0.49 115.31 124.11 2b7e h LEU 46 Ca 0.01 -0.48 -0.24 0.00 0.13 0.00 0.00 57.88 57.30 2b7e h LEU 46 Cb 0.21 -0.26 0.01 0.00 -0.53 0.00 0.00 40.66 40.09 2b7e h LEU 46 CO 0.01 1.26 -0.94 -0.25 -0.13 0.00 0.00 178.44 178.39 2b7e h TRP 47 N 0.62 0.91 -0.33 1.25 7.01 -1.81 -0.64 115.95 122.96 2b7e h TRP 47 Ca 0.02 -0.47 -0.03 0.00 2.11 0.00 0.00 58.89 60.51 2b7e h TRP 47 Cb 1.13 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 28.06 2b7e h TRP 47 CO 0.07 1.29 0.06 0.87 -2.79 0.00 0.00 178.44 177.94 2b7e h LYS 48 N 0.38 0.49 -0.03 2.65 6.56 -0.35 0.32 116.57 126.59 2b7e h LYS 48 Ca -0.09 -0.08 -0.25 0.00 -1.06 0.00 0.00 60.65 59.17 2b7e h LYS 48 Cb 1.58 -0.08 0.01 0.00 -0.57 0.00 0.00 32.23 33.17 2b7e h LYS 48 CO 0.18 0.47 -0.96 0.87 -2.06 0.00 0.00 179.45 177.95 2b7e h LYS 49 N 0.48 0.64 -0.22 3.15 1.57 -0.83 -1.88 116.57 119.48 2b7e h LYS 49 Ca 0.11 -0.65 -0.01 0.00 -1.87 0.00 0.00 60.65 58.23 2b7e h LYS 49 Cb 0.22 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2b7e h LYS 49 CO -0.00 1.25 0.10 0.93 -0.57 0.00 0.00 179.45 181.16 2b7e h GLU 50 N 0.38 0.31 0.00 3.15 5.08 -0.45 -0.11 114.58 122.94 2b7e h GLU 50 Ca -0.10 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 2b7e h GLU 50 Cb 1.60 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 2b7e h GLU 50 CO 0.18 0.33 -0.18 0.00 -1.00 0.00 0.00 179.01 178.34 2b7e h MET 51 N 0.22 0.00 0.06 2.33 -0.00 -0.43 -1.50 114.93 115.60 2b7e h MET 51 Ca 0.07 0.00 -0.27 0.00 -0.00 0.00 0.00 59.70 59.50 2b7e h MET 51 Cb 0.12 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 31.74 2b7e h MET 51 CO -0.01 0.18 -1.11 0.35 -0.00 0.00 0.00 176.91 176.32 2b7e h PHE 52 N 0.00 0.88 -0.21 -0.10 3.57 -1.04 0.43 116.94 120.47 2b7e h PHE 52 Ca -0.00 -0.52 -0.09 0.00 3.53 0.00 0.00 57.97 60.89 2b7e h PHE 52 Cb 0.80 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 2b7e h PHE 52 CO 0.00 1.36 -0.27 0.93 -2.23 0.00 0.00 178.31 178.10 2b7e h GLU 53 N 0.28 0.40 -0.18 1.11 4.39 -0.67 -1.48 114.58 118.43 2b7e h GLU 53 Ca -0.14 -0.15 -0.19 0.00 0.34 0.00 0.00 59.36 59.22 2b7e h GLU 53 Cb 1.77 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 2b7e h GLU 53 CO 0.21 0.64 -0.65 -0.22 -1.16 0.00 0.00 179.01 177.83 2b7e h LYS 54 N 0.35 0.66 -0.16 2.33 3.64 -1.26 -1.62 116.57 120.51 2b7e h LYS 54 Ca 0.05 -0.47 -0.02 0.00 -1.27 0.00 0.00 60.65 58.94 2b7e h LYS 54 Cb 0.67 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 2b7e h LYS 54 CO 0.05 1.09 0.01 -0.92 -2.27 0.00 0.00 179.45 177.41 2b7e h TYR 55 N 0.48 0.22 0.07 1.91 3.20 -0.42 0.43 116.97 122.85 2b7e h TYR 55 Ca -0.02 -0.01 -0.28 0.00 3.14 0.00 0.00 58.73 61.57 2b7e h TYR 55 Cb 1.24 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.42 2b7e h TYR 55 CO 0.06 0.23 -1.42 -0.07 -1.64 0.00 0.00 178.16 175.32 2b7e h LEU 56 N 0.22 0.22 -2.73 2.82 3.38 -1.15 -2.61 115.31 115.47 2b7e h LEU 56 Ca 0.05 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2b7e h LEU 56 Cb 0.15 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2b7e h LEU 56 CO 0.00 1.26 0.00 -1.54 0.09 0.00 0.00 178.44 178.25 2b7e n SER 57 N -3.36 3.29 0.00 -0.43 3.41 -0.62 -4.73 113.62 111.19 2b7e n SER 57 Ca -0.12 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 2b7e n SER 57 Cb 1.02 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 2b7e n SER 57 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2b7e n ASN 58 N 1.00 0.00 0.00 4.04 4.05 0.13 -5.00 115.26 119.47 2b7e n ASN 58 Ca 0.17 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.20 2b7e n ASN 58 Cb 0.50 0.32 0.00 0.00 1.23 0.00 0.00 39.78 41.83 2b7e n ASN 58 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75