#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 5.39 -2.00 4.61 0.00 -1.26 -4.53 120.51 122.71 2b7e n ALA 2 Ca 0.00 -4.67 0.00 0.00 0.00 0.00 0.00 53.44 48.77 2b7e n ALA 2 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 17.86 2b7e n ALA 2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2b7e n MET 3 N 0.02 0.00 0.19 0.00 2.81 -1.26 -4.50 117.12 114.38 2b7e n MET 3 Ca 0.39 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 56.32 2b7e n MET 3 Cb 0.32 0.00 0.49 0.00 -0.71 0.00 0.00 33.22 33.32 2b7e n MET 3 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2b7e h GLU 4 N 0.00 0.10 0.34 0.03 5.08 -1.98 0.12 114.58 118.27 2b7e h GLU 4 Ca 0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2b7e h GLU 4 Cb 0.00 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2b7e h GLU 4 CO 0.00 0.22 -0.35 0.00 -1.00 0.00 0.00 179.01 177.88 2b7e h ALA 5 N 1.79 -0.74 -0.09 3.43 0.00 -1.88 -0.23 119.26 121.55 2b7e h ALA 5 Ca 0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2b7e h ALA 5 Cb 0.26 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2b7e h ALA 5 CO 0.02 -0.95 -0.15 1.49 0.00 0.00 0.00 179.25 179.65 2b7e h GLU 6 N -0.72 0.26 -0.45 0.00 4.81 -1.70 -1.61 114.58 115.17 2b7e h GLU 6 Ca -0.02 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 59.09 2b7e h GLU 6 Cb 0.65 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.98 2b7e h GLU 6 CO -0.07 0.74 -0.34 -0.22 -0.73 0.00 0.00 179.01 178.39 2b7e h LYS 7 N -0.19 -0.09 0.00 1.92 1.63 -0.74 0.28 116.57 119.38 2b7e h LYS 7 Ca 0.01 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2b7e h LYS 7 Cb 0.72 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.37 2b7e h LYS 7 CO 0.03 -0.06 0.00 0.93 -3.45 0.00 0.00 179.45 176.90 2b7e h GLU 8 N -0.09 0.00 -0.41 1.90 4.39 -1.10 -2.15 114.58 117.12 2b7e h GLU 8 Ca 0.07 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.62 2b7e h GLU 8 Cb 0.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2b7e h GLU 8 CO -0.47 0.00 -0.35 0.35 -1.16 0.00 0.00 179.01 177.37 2b7e h PHE 9 N 0.00 1.14 -0.06 4.33 3.04 -0.31 0.18 116.94 125.26 2b7e h PHE 9 Ca 0.00 -0.33 -0.21 0.00 3.98 0.00 0.00 57.97 61.41 2b7e h PHE 9 Cb 0.77 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 39.04 2b7e h PHE 9 CO 0.00 1.16 -0.82 0.82 -2.02 0.00 0.00 178.31 177.45 2b7e h ILE 10 N 0.79 1.36 -0.19 1.41 1.08 -0.79 -1.02 117.51 120.15 2b7e h ILE 10 Ca 0.07 -2.22 -0.09 0.00 -0.39 0.00 0.00 64.86 62.23 2b7e h ILE 10 Cb 0.95 2.21 -0.01 0.00 -3.07 0.00 0.00 36.82 36.89 2b7e h ILE 10 CO 0.09 0.67 -0.26 0.74 -0.69 0.00 0.00 178.15 178.71 2b7e h THR 11 N 0.31 1.25 0.01 -0.27 2.02 -1.30 -1.26 112.91 113.67 2b7e h THR 11 Ca -0.06 -1.20 -0.20 0.00 0.77 0.00 0.00 66.41 65.72 2b7e h THR 11 Cb 1.43 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 69.23 2b7e h THR 11 CO 0.15 0.37 -0.90 -0.03 0.37 0.00 0.00 175.52 175.48 2b7e h MET 12 N 0.31 0.16 -0.41 6.66 1.85 -0.51 -1.49 114.93 121.51 2b7e h MET 12 Ca 0.05 -0.19 -0.13 0.00 -0.61 0.00 0.00 59.70 58.82 2b7e h MET 12 Cb 0.62 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.70 2b7e h MET 12 CO 0.04 0.95 -0.27 -0.07 -0.40 0.00 0.00 176.91 177.17 2b7e h LEU 13 N 0.09 0.89 -0.44 3.39 -0.00 -0.72 -0.93 115.31 117.58 2b7e h LEU 13 Ca -0.04 -0.35 -0.12 0.00 -0.00 0.00 0.00 57.88 57.37 2b7e h LEU 13 Cb 1.54 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 41.94 2b7e h LEU 13 CO 0.13 1.10 -0.19 0.11 -0.00 0.00 0.00 178.44 179.59 2b7e h LYS 14 N 0.73 0.91 0.00 1.13 1.57 -1.17 0.34 116.57 120.09 2b7e h LYS 14 Ca 0.09 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2b7e h LYS 14 Cb 0.82 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2b7e h LYS 14 CO 0.07 1.05 0.00 0.93 -0.57 0.00 0.00 179.45 180.93 2b7e h GLU 15 N 0.75 0.00 -0.48 3.15 5.08 -1.00 -1.32 114.58 120.77 2b7e h GLU 15 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2b7e h GLU 15 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2b7e h GLU 15 CO 0.06 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.16 2b7e n ASN 16 N -2.86 4.43 -2.75 1.42 3.02 -0.38 -4.95 115.26 113.20 2b7e n ASN 16 Ca -0.00 -2.64 -0.20 0.00 -0.03 0.00 0.00 54.58 51.71 2b7e n ASN 16 Cb 0.22 -0.54 0.01 0.00 -0.61 0.00 0.00 39.78 38.85 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 0.46 -3.07 -2.48 3.52 1.13 -0.50 -4.91 117.38 111.54 2b7e n GLN 17 Ca 0.23 0.80 -0.43 0.00 -1.94 0.00 0.00 57.00 55.66 2b7e n GLN 17 Cb 0.88 -5.52 -0.02 0.00 0.11 0.00 0.00 30.24 25.69 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 -2.96 4.36 0.00 5.09 1.01 0.09 -4.99 120.40 122.99 2b7e s VAL 18 Ca 0.15 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.76 2b7e s VAL 18 Cb -0.07 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.22 2b7e s VAL 18 CO 0.19 -0.19 0.00 0.47 0.00 0.00 0.00 175.10 175.57 2b7e n ASP 19 N 6.66 0.68 0.00 3.32 8.00 -1.26 -4.72 116.55 129.23 2b7e n ASP 19 Ca 0.14 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.70 2b7e n ASP 19 Cb 0.45 0.00 0.30 0.00 -0.02 0.00 0.00 41.12 41.85 2b7e n ASP 19 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2b7e n SER 20 N 0.00 0.00 0.00 -2.24 3.41 -1.26 -2.53 113.62 110.99 2b7e n SER 20 Ca 0.00 0.38 0.01 0.00 -0.26 0.00 0.00 58.87 58.99 2b7e n SER 20 Cb 0.00 -0.44 0.03 0.00 -0.26 0.00 0.00 64.21 63.55 2b7e n SER 20 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2b7e n THR 21 N -1.44 0.00 -4.65 6.66 -2.24 -1.26 -4.81 114.28 106.54 2b7e n THR 21 Ca 0.04 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.52 2b7e n THR 21 Cb 0.14 -0.02 -0.13 0.00 -2.10 0.00 0.00 70.33 68.21 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 -2.00 2.46 0.34 4.78 0.52 -1.05 -5.14 118.94 118.84 2b7e s TRP 22 Ca 0.02 -0.32 0.08 0.00 0.02 0.00 0.00 56.10 55.90 2b7e s TRP 22 Cb 0.01 -1.40 -0.04 0.00 -1.15 0.00 0.00 33.47 30.89 2b7e s TRP 22 CO 0.01 0.25 0.18 -1.12 0.02 0.00 0.00 176.95 176.29 2b7e s SER 23 N -1.56 4.84 -0.02 2.95 0.01 -1.26 -5.01 113.70 113.65 2b7e s SER 23 Ca 0.14 -0.69 0.03 0.00 1.31 0.00 0.00 55.95 56.73 2b7e s SER 23 Cb -0.10 -0.80 0.11 0.00 0.21 0.00 0.00 66.02 65.44 2b7e s SER 23 CO 0.05 -0.30 0.84 0.33 0.41 0.00 0.00 173.24 174.56 2b7e n PHE 24 N -1.20 0.25 -0.03 2.43 7.35 -1.26 -1.28 117.46 123.72 2b7e n PHE 24 Ca -0.03 -0.10 -0.12 0.00 -0.76 0.00 0.00 57.45 56.45 2b7e n PHE 24 Cb 0.61 -0.10 -0.14 0.00 0.35 0.00 0.00 39.48 40.19 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 -0.01 1.06 0.02 -2.13 7.64 -1.26 -3.09 113.62 115.85 2b7e n SER 25 Ca 0.04 0.28 -0.08 0.00 1.01 0.00 0.00 58.87 60.12 2b7e n SER 25 Cb 0.28 -0.09 0.08 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.01 0.49 0.35 1.43 2.43 -1.60 0.23 114.38 117.72 2b7e h ARG 26 Ca -0.37 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 58.48 2b7e h ARG 26 Cb 2.05 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.63 2b7e h ARG 26 CO 0.07 0.90 -0.17 0.82 -1.51 0.00 0.00 179.97 180.08 2b7e h ILE 27 N 0.38 0.66 -0.85 1.20 2.04 -1.68 0.13 117.51 119.39 2b7e h ILE 27 Ca 0.01 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 2b7e h ILE 27 Cb 1.06 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 2b7e h ILE 27 CO 0.10 0.08 0.42 0.40 0.00 0.00 0.00 178.15 179.15 2b7e h ILE 28 N -0.70 1.26 0.06 -0.67 2.04 -1.47 0.26 117.51 118.30 2b7e h ILE 28 Ca -0.05 -0.71 -0.28 0.00 1.00 0.00 0.00 64.86 64.82 2b7e h ILE 28 Cb 0.49 0.16 0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2b7e h ILE 28 CO 0.08 0.31 -1.14 -1.28 0.00 0.00 0.00 178.15 176.12 2b7e h SER 29 N 1.21 0.84 0.00 1.72 0.87 -0.53 -3.28 113.55 114.38 2b7e h SER 29 Ca 0.29 -0.73 -0.14 0.00 -1.23 0.00 0.00 61.79 59.99 2b7e h SER 29 Cb 0.10 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 2b7e h SER 29 CO -0.04 1.53 -1.52 -0.62 -0.53 0.00 0.00 176.83 175.65 2b7e n GLU 30 N -3.80 1.95 0.08 2.24 1.02 0.46 -4.53 120.64 118.06 2b7e n GLU 30 Ca -0.12 0.02 -0.06 0.00 -0.02 0.00 0.00 57.16 56.98 2b7e n GLU 30 Cb 0.93 -1.19 -0.06 0.00 -0.02 0.00 0.00 31.44 31.11 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 0.02 -1.98 -4.62 4.07 -0.41 0.36 115.31 112.76 2b7e h LEU 31 Ca -0.21 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.73 2b7e h LEU 31 Cb 1.42 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.15 2b7e h LEU 31 CO -0.00 0.93 0.00 1.23 -1.08 0.00 0.00 178.44 179.52 2b7e h GLY 32 N 2.67 0.00 0.00 0.83 0.00 -1.34 -2.55 103.07 102.69 2b7e h GLY 32 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.20 2b7e h GLY 32 CO 0.12 0.00 -1.52 -1.30 0.00 0.00 0.00 176.54 173.85 2b7e n THR 33 N -2.86 0.42 0.11 4.70 -2.24 -1.05 -4.64 114.28 108.72 2b7e n THR 33 Ca -0.01 -0.31 -0.04 0.00 -2.27 0.00 0.00 64.05 61.42 2b7e n THR 33 Cb 0.16 -0.53 0.07 0.00 -2.10 0.00 0.00 70.33 67.93 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 0.04 -2.64 -0.78 3.08 -0.21 -3.45 114.38 110.43 2b7e h ARG 34 Ca -0.17 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.73 2b7e h ARG 34 Cb 1.24 0.01 -0.27 0.00 0.08 0.00 0.00 29.97 31.03 2b7e h ARG 34 CO 0.01 0.76 -0.31 0.34 -1.07 0.00 0.00 179.97 179.70 2b7e s ASP 35 N -6.83 -0.48 0.00 7.04 -1.08 -0.97 -5.03 116.67 109.33 2b7e s ASP 35 Ca -0.01 0.90 0.15 0.00 -0.52 0.00 0.00 52.55 53.06 2b7e s ASP 35 Cb 0.12 0.82 0.76 0.00 -1.46 0.00 0.00 42.92 43.16 2b7e s ASP 35 CO 0.79 -0.20 1.41 -2.65 0.52 0.00 0.00 175.17 175.04 2b7e n PRO 36 N 4.38 0.23 0.32 4.34 -0.02 -1.26 -2.95 135.00 140.04 2b7e n PRO 36 Ca -0.22 0.14 0.19 0.00 -2.02 0.00 0.00 63.50 61.59 2b7e n PRO 36 Cb 0.55 -1.50 1.06 0.00 -0.02 0.00 0.00 33.50 33.59 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 0.17 114.38 115.16 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 0.01 -0.03 -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 -1.81 -2.98 116.97 118.41 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 0.04 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.31 2b7e h TYR 38 CO 0.00 0.03 -1.53 0.91 -1.64 0.00 0.00 178.16 175.93 2b7e n TRP 39 N -3.15 0.00 -0.26 -3.82 7.02 0.49 -4.29 117.44 113.43 2b7e n TRP 39 Ca -0.00 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.52 2b7e n TRP 39 Cb 0.27 -0.29 0.28 0.00 -2.42 0.00 0.00 31.31 29.15 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 -5.86 -0.99 2.86 -1.12 -3.38 114.93 107.35 2b7e h MET 40 Ca 0.00 -0.05 -0.63 0.00 -2.06 0.00 0.00 59.70 56.95 2b7e h MET 40 Cb 0.66 -0.21 -0.06 0.00 0.06 0.00 0.00 31.60 32.06 2b7e h MET 40 CO 0.00 0.60 -0.34 0.54 1.06 0.00 0.00 176.91 178.77 2b7e s VAL 41 N -5.83 5.26 0.48 -2.22 0.11 -1.24 -5.00 120.40 111.96 2b7e s VAL 41 Ca -0.11 0.45 -0.24 0.00 -2.93 0.00 0.00 61.98 59.15 2b7e s VAL 41 Cb 0.19 -3.57 -0.07 0.00 -1.53 0.00 0.00 36.38 31.41 2b7e s VAL 41 CO 0.79 0.53 1.42 -0.90 -3.33 0.00 0.00 175.10 173.61 2b7e n ASP 42 N 1.67 3.19 -4.53 3.54 5.75 -1.26 -4.86 116.55 120.04 2b7e n ASP 42 Ca -0.15 1.08 -0.41 0.00 -0.01 0.00 0.00 54.79 55.30 2b7e n ASP 42 Cb 0.53 -1.60 -0.03 0.00 -1.03 0.00 0.00 41.12 38.99 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 6.26 -0.57 -1.12 2.15 -1.26 -4.93 116.67 116.62 2b7e s ASP 43 Ca 0.64 -0.83 -0.14 0.00 0.43 0.00 0.00 52.55 52.66 2b7e s ASP 43 Cb -0.44 -2.54 0.14 0.00 -0.30 0.00 0.00 42.92 39.79 2b7e s ASP 43 CO 0.55 -1.67 0.50 -0.62 -0.17 0.00 0.00 175.17 173.76 2b7e s ASP 44 N 4.01 6.13 0.48 -0.34 -1.08 -1.26 -4.95 116.67 119.65 2b7e s ASP 44 Ca 0.36 -1.99 0.14 0.00 -0.52 0.00 0.00 52.55 50.54 2b7e s ASP 44 Cb -0.07 -2.15 1.11 0.00 -1.46 0.00 0.00 42.92 40.35 2b7e s ASP 44 CO 0.07 -0.76 2.08 -0.65 0.52 0.00 0.00 175.17 176.43 2b7e h PRO 45 N 8.56 0.07 -0.21 4.34 0.11 -1.97 0.44 132.00 143.34 2b7e h PRO 45 Ca -0.21 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.68 2b7e h PRO 45 Cb 1.08 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.18 2b7e h PRO 45 CO 0.94 0.12 -0.68 1.25 -0.21 0.00 0.00 178.00 179.42 2b7e h LEU 46 N 0.07 0.97 -0.23 2.35 7.12 -1.98 -0.41 115.31 123.20 2b7e h LEU 46 Ca 0.02 -0.59 -0.21 0.00 0.13 0.00 0.00 57.88 57.23 2b7e h LEU 46 Cb 0.12 -0.28 0.01 0.00 -0.53 0.00 0.00 40.66 39.97 2b7e h LEU 46 CO 0.01 1.39 -0.79 -0.25 -0.13 0.00 0.00 178.44 178.66 2b7e h TRP 47 N 0.61 0.87 -0.27 1.25 7.01 -1.77 -0.06 115.95 123.59 2b7e h TRP 47 Ca -0.02 -0.40 -0.04 0.00 2.11 0.00 0.00 58.89 60.54 2b7e h TRP 47 Cb 1.31 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 28.22 2b7e h TRP 47 CO 0.08 1.21 -0.01 0.87 -2.79 0.00 0.00 178.44 177.80 2b7e h LYS 48 N 0.43 0.40 -0.13 2.65 6.56 -0.11 0.33 116.57 126.70 2b7e h LYS 48 Ca -0.05 -0.08 -0.22 0.00 -1.06 0.00 0.00 60.65 59.24 2b7e h LYS 48 Cb 1.41 -0.06 0.01 0.00 -0.57 0.00 0.00 32.23 33.01 2b7e h LYS 48 CO 0.15 0.44 -0.77 0.87 -2.06 0.00 0.00 179.45 178.09 2b7e h LYS 49 N 0.39 0.75 -0.43 3.15 1.57 -0.91 -1.95 116.57 119.13 2b7e h LYS 49 Ca 0.09 -0.63 -0.02 0.00 -1.87 0.00 0.00 60.65 58.21 2b7e h LYS 49 Cb 0.28 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2b7e h LYS 49 CO 0.01 1.24 0.17 0.93 -0.57 0.00 0.00 179.45 181.23 2b7e h GLU 50 N 0.46 0.65 0.00 3.15 5.08 -0.34 -0.49 114.58 123.09 2b7e h GLU 50 Ca -0.06 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 2b7e h GLU 50 Cb 1.40 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 2b7e h GLU 50 CO 0.16 0.60 -0.13 0.00 -1.00 0.00 0.00 179.01 178.63 2b7e h MET 51 N 0.55 0.00 0.02 2.33 -0.00 -0.43 -1.61 114.93 115.80 2b7e h MET 51 Ca 0.14 0.00 -0.25 0.00 -0.00 0.00 0.00 59.70 59.59 2b7e h MET 51 Cb 0.19 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.81 2b7e h MET 51 CO -0.01 0.13 -1.04 0.35 -0.00 0.00 0.00 176.91 176.34 2b7e h PHE 52 N 0.00 0.83 -0.05 -0.10 3.57 -0.97 0.26 116.94 120.48 2b7e h PHE 52 Ca -0.00 -0.47 -0.08 0.00 3.53 0.00 0.00 57.97 60.94 2b7e h PHE 52 Cb 0.94 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 2b7e h PHE 52 CO 0.00 1.30 -0.36 0.93 -2.23 0.00 0.00 178.31 177.96 2b7e h GLU 53 N 0.30 0.10 -0.20 1.11 5.08 -0.88 -1.58 114.58 118.50 2b7e h GLU 53 Ca -0.12 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.02 2b7e h GLU 53 Cb 1.69 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.93 2b7e h GLU 53 CO 0.19 0.45 -0.61 -0.22 -1.00 0.00 0.00 179.01 177.82 2b7e h LYS 54 N 0.09 0.67 0.00 2.33 3.64 -1.19 0.21 116.57 122.32 2b7e h LYS 54 Ca 0.01 -0.45 -0.03 0.00 -1.27 0.00 0.00 60.65 58.91 2b7e h LYS 54 Cb 0.67 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2b7e h LYS 54 CO 0.05 1.07 -0.13 -0.92 -2.27 0.00 0.00 179.45 177.26 2b7e h TYR 55 N 0.50 0.00 0.01 1.91 3.20 -0.33 0.66 116.97 122.92 2b7e h TYR 55 Ca -0.00 0.00 -0.37 0.00 3.14 0.00 0.00 58.73 61.50 2b7e h TYR 55 Cb 1.19 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.39 2b7e h TYR 55 CO 0.06 0.13 -2.33 1.28 -1.64 0.00 0.00 178.16 175.65 2b7e n LEU 56 N -3.48 1.10 0.07 2.82 4.77 -0.65 -3.10 117.00 118.52 2b7e n LEU 56 Ca -0.01 0.01 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 2b7e n LEU 56 Cb 0.28 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 2b7e n LEU 56 CO 0.30 0.64 -0.11 -1.28 -1.33 0.00 0.00 177.39 175.60 2b7e h SER 57 N 0.00 0.00 0.00 -1.43 0.87 -0.47 -3.43 113.55 109.09 2b7e h SER 57 Ca -0.53 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 2b7e h SER 57 Cb 2.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.07 2b7e h SER 57 CO 0.00 0.33 -0.47 0.59 -0.53 0.00 0.00 176.83 176.75 2b7e n ASN 58 N -2.82 0.21 0.00 6.23 5.03 0.12 -5.04 115.26 119.00 2b7e n ASN 58 Ca -0.05 0.08 0.00 0.00 0.87 0.00 0.00 54.58 55.48 2b7e n ASN 58 Cb 0.71 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 39.44 2b7e n ASN 58 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29