#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 2.68 -0.02 4.61 0.00 -1.26 -2.47 120.51 124.05 2b7e n ALA 2 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 53.44 53.13 2b7e n ALA 2 Cb 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 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 0.05 0.12 0.04 0.00 0.00 -1.26 -4.25 117.12 111.82 2b7e n MET 3 Ca 0.04 0.05 -0.13 0.00 0.00 0.00 0.00 57.70 57.66 2b7e n MET 3 Cb 0.35 -0.61 -0.08 0.00 0.00 0.00 0.00 33.22 32.87 2b7e n MET 3 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 2b7e h GLU 4 N -0.22 -0.08 0.00 0.03 4.81 -2.01 -2.36 114.58 114.74 2b7e h GLU 4 Ca 0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2b7e h GLU 4 Cb 0.22 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 2b7e h GLU 4 CO 0.00 0.19 -0.08 0.00 -0.73 0.00 0.00 179.01 178.38 2b7e h ALA 5 N 0.57 1.84 0.35 2.92 0.00 -1.79 -1.88 119.26 121.27 2b7e h ALA 5 Ca -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2b7e h ALA 5 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2b7e h ALA 5 CO 0.01 0.10 -0.17 1.49 0.00 0.00 0.00 179.25 180.69 2b7e h GLU 6 N 0.00 -0.46 -0.58 0.00 4.81 -1.67 0.11 114.58 116.79 2b7e h GLU 6 Ca -0.00 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.34 2b7e h GLU 6 Cb 0.15 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.57 2b7e h GLU 6 CO 0.01 -0.21 0.24 0.87 -0.73 0.00 0.00 179.01 179.19 2b7e h LYS 7 N -0.63 0.43 -0.27 1.92 6.56 -0.86 0.34 116.57 124.06 2b7e h LYS 7 Ca -0.05 -0.03 -0.11 0.00 -1.06 0.00 0.00 60.65 59.40 2b7e h LYS 7 Cb 0.46 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 32.01 2b7e h LYS 7 CO 0.08 0.29 -0.30 0.93 -2.06 0.00 0.00 179.45 178.39 2b7e h GLU 8 N 0.44 0.55 -0.63 3.15 4.39 -1.33 -0.67 114.58 120.48 2b7e h GLU 8 Ca 0.28 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 2b7e h GLU 8 Cb 0.31 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 2b7e h GLU 8 CO -0.26 0.79 0.15 0.35 -1.16 0.00 0.00 179.01 178.88 2b7e h PHE 9 N 0.47 1.03 -0.49 4.33 3.04 0.50 0.26 116.94 126.08 2b7e h PHE 9 Ca 0.06 -0.11 -0.08 0.00 3.98 0.00 0.00 57.97 61.82 2b7e h PHE 9 Cb 0.76 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 2b7e h PHE 9 CO 0.03 0.85 -0.02 0.82 -2.02 0.00 0.00 178.31 177.97 2b7e h ILE 10 N 0.94 1.25 -0.37 1.41 1.08 -0.07 -0.59 117.51 121.16 2b7e h ILE 10 Ca 0.20 -1.05 -0.13 0.00 -0.39 0.00 0.00 64.86 63.49 2b7e h ILE 10 Cb 0.34 0.89 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 2b7e h ILE 10 CO 0.00 0.37 -0.28 0.74 -0.69 0.00 0.00 178.15 178.30 2b7e h THR 11 N 0.77 1.28 -0.06 -0.27 2.02 -0.12 0.71 112.91 117.24 2b7e h THR 11 Ca 0.14 -1.43 -0.17 0.00 0.77 0.00 0.00 66.41 65.72 2b7e h THR 11 Cb 0.49 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 2b7e h THR 11 CO 0.02 0.48 -0.69 0.00 0.37 0.00 0.00 175.52 175.70 2b7e h MET 12 N 0.63 0.29 -0.38 6.66 -0.00 -0.45 0.16 114.93 121.85 2b7e h MET 12 Ca 0.07 -0.23 -0.13 0.00 -0.00 0.00 0.00 59.70 59.41 2b7e h MET 12 Cb 0.85 0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 32.48 2b7e h MET 12 CO 0.07 0.87 -0.28 -0.07 -0.00 0.00 0.00 176.91 177.50 2b7e h LEU 13 N 0.20 0.83 0.00 -0.10 -0.00 -0.92 0.34 115.31 115.66 2b7e h LEU 13 Ca -0.02 -0.33 -0.10 0.00 -0.00 0.00 0.00 57.88 57.43 2b7e h LEU 13 Cb 1.24 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 41.66 2b7e h LEU 13 CO 0.11 1.06 -0.71 0.50 -0.00 0.00 0.00 178.44 179.40 2b7e h LYS 14 N 0.68 0.00 -0.09 1.13 3.11 -0.66 -2.30 116.57 118.44 2b7e h LYS 14 Ca 0.08 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 57.75 2b7e h LYS 14 Cb 0.82 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.04 2b7e h LYS 14 CO 0.07 0.35 -0.67 0.93 -2.81 0.00 0.00 179.45 177.32 2b7e h GLU 15 N 0.00 0.38 -0.02 1.90 5.08 -0.54 -3.01 114.58 118.37 2b7e h GLU 15 Ca -0.04 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2b7e h GLU 15 Cb 1.36 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2b7e h GLU 15 CO 0.05 0.91 0.00 0.09 -1.00 0.00 0.00 179.01 179.06 2b7e n ASN 16 N -3.86 0.02 -2.66 1.42 5.03 0.10 -4.85 115.26 110.45 2b7e n ASN 16 Ca -0.04 -1.93 -0.18 0.00 0.87 0.00 0.00 54.58 53.31 2b7e n ASN 16 Cb 0.67 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.42 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 -0.49 -2.71 -2.54 3.52 6.02 -1.14 -4.94 117.38 115.10 2b7e n GLN 17 Ca 0.00 0.75 -0.34 0.00 -0.01 0.00 0.00 57.00 57.40 2b7e n GLN 17 Cb 0.00 -5.43 -0.03 0.00 1.02 0.00 0.00 30.24 25.80 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 -2.88 3.82 0.00 5.09 1.01 -0.87 -5.03 120.40 121.54 2b7e s VAL 18 Ca 0.11 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.21 2b7e s VAL 18 Cb -0.05 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2b7e s VAL 18 CO 0.13 -0.25 0.00 -0.67 0.00 0.00 0.00 175.10 174.31 2b7e n ASP 19 N -0.98 0.00 0.27 3.32 2.03 -1.26 -4.81 116.55 115.12 2b7e n ASP 19 Ca 0.09 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.53 2b7e n ASP 19 Cb 0.53 0.00 0.81 0.00 -0.72 0.00 0.00 41.12 41.73 2b7e n ASP 19 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2b7e h SER 20 N 0.00 0.00 -0.20 1.67 0.02 -1.95 -2.38 113.55 110.72 2b7e h SER 20 Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 2b7e h SER 20 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 2b7e h SER 20 CO 0.00 0.00 0.15 0.35 -1.14 0.00 0.00 176.83 176.19 2b7e n THR 21 N -4.11 1.86 -4.14 -2.27 -2.24 -1.26 -4.78 114.28 97.33 2b7e n THR 21 Ca -0.02 -0.66 -0.16 0.00 -2.27 0.00 0.00 64.05 60.94 2b7e n THR 21 Cb 0.11 -1.15 -0.12 0.00 -2.10 0.00 0.00 70.33 67.07 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 -0.69 0.86 0.41 4.78 0.52 -0.90 -5.15 118.94 118.77 2b7e s TRP 22 Ca 0.12 -0.43 0.07 0.00 0.02 0.00 0.00 56.10 55.89 2b7e s TRP 22 Cb 0.10 -0.51 -0.05 0.00 -1.15 0.00 0.00 33.47 31.86 2b7e s TRP 22 CO 0.01 -0.03 0.18 -1.12 0.02 0.00 0.00 176.95 176.01 2b7e s SER 23 N -1.40 4.41 -0.03 2.95 0.01 -1.26 -4.99 113.70 113.39 2b7e s SER 23 Ca -0.05 -1.09 0.03 0.00 1.31 0.00 0.00 55.95 56.16 2b7e s SER 23 Cb -0.09 -0.48 0.15 0.00 0.21 0.00 0.00 66.02 65.81 2b7e s SER 23 CO 0.01 -0.54 0.86 0.33 0.41 0.00 0.00 173.24 174.31 2b7e n PHE 24 N -1.23 0.34 -0.07 2.43 7.35 -1.26 -2.11 117.46 122.91 2b7e n PHE 24 Ca -0.01 -0.13 -0.22 0.00 -0.76 0.00 0.00 57.45 56.33 2b7e n PHE 24 Cb 0.65 -0.12 -0.12 0.00 0.35 0.00 0.00 39.48 40.23 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 0.06 2.01 -0.16 -2.13 7.64 -1.26 -3.06 113.62 116.72 2b7e n SER 25 Ca 0.05 0.22 0.03 0.00 1.01 0.00 0.00 58.87 60.18 2b7e n SER 25 Cb 0.33 -0.80 0.31 0.00 -1.01 0.00 0.00 64.21 63.05 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 -0.36 0.82 0.70 1.43 2.43 -1.84 0.18 114.38 117.73 2b7e h ARG 26 Ca -0.47 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.61 2b7e h ARG 26 Cb 1.77 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 31.14 2b7e h ARG 26 CO -0.09 0.54 -0.33 0.82 -1.51 0.00 0.00 179.97 179.40 2b7e h ILE 27 N 0.84 0.14 -0.72 1.20 2.04 -1.67 0.20 117.51 119.55 2b7e h ILE 27 Ca 0.25 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2b7e h ILE 27 Cb -0.01 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.22 2b7e h ILE 27 CO -0.06 0.02 0.31 0.40 0.00 0.00 0.00 178.15 178.81 2b7e h ILE 28 N -1.16 1.24 0.09 -0.67 2.04 -1.42 0.42 117.51 118.06 2b7e h ILE 28 Ca -0.10 -0.74 -0.27 0.00 1.00 0.00 0.00 64.86 64.76 2b7e h ILE 28 Cb 0.74 0.39 0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2b7e h ILE 28 CO 0.16 0.30 -1.16 0.28 0.00 0.00 0.00 178.15 177.73 2b7e h SER 29 N 1.02 0.61 0.05 1.72 0.02 -0.69 -3.10 113.55 113.18 2b7e h SER 29 Ca 0.24 -0.57 -0.38 0.00 -0.84 0.00 0.00 61.79 60.24 2b7e h SER 29 Cb 0.18 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.46 2b7e h SER 29 CO -0.02 1.41 -2.35 -0.62 -1.14 0.00 0.00 176.83 174.10 2b7e n GLU 30 N -3.69 0.67 0.05 3.45 -0.58 0.69 -4.40 120.64 116.84 2b7e n GLU 30 Ca -0.10 0.13 -0.05 0.00 -0.42 0.00 0.00 57.16 56.73 2b7e n GLU 30 Cb 0.96 -1.56 -0.09 0.00 -0.57 0.00 0.00 31.44 30.17 2b7e n GLU 30 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2b7e h LEU 31 N 0.01 0.00 -2.20 -4.62 4.07 -0.15 0.51 115.31 112.92 2b7e h LEU 31 Ca -0.53 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.42 2b7e h LEU 31 Cb 2.01 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.75 2b7e h LEU 31 CO -0.03 0.84 -0.01 1.23 -1.08 0.00 0.00 178.44 179.40 2b7e h GLY 32 N 3.32 0.00 0.00 0.83 0.00 -1.42 -2.34 103.07 103.47 2b7e h GLY 32 Ca -0.10 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.01 2b7e h GLY 32 CO 0.09 0.00 -1.82 -1.30 0.00 0.00 0.00 176.54 173.51 2b7e n THR 33 N -3.11 0.82 0.08 4.70 -2.24 -1.09 -4.65 114.28 108.79 2b7e n THR 33 Ca -0.01 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.21 2b7e n THR 33 Cb 0.19 -0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 67.54 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 -0.16 -3.55 -0.78 3.08 0.09 -3.44 114.38 109.62 2b7e h ARG 34 Ca -0.32 0.01 -0.31 0.00 0.07 0.00 0.00 59.98 59.42 2b7e h ARG 34 Cb 1.64 0.04 -0.34 0.00 0.08 0.00 0.00 29.97 31.39 2b7e h ARG 34 CO -0.01 -0.11 -0.73 0.34 -1.07 0.00 0.00 179.97 178.39 2b7e s ASP 35 N -5.05 0.20 0.00 7.04 -1.08 -0.89 -5.02 116.67 111.88 2b7e s ASP 35 Ca -0.14 0.03 0.13 0.00 -0.52 0.00 0.00 52.55 52.05 2b7e s ASP 35 Cb 0.07 -0.10 0.59 0.00 -1.46 0.00 0.00 42.92 42.01 2b7e s ASP 35 CO 0.66 -0.13 1.38 -2.65 0.52 0.00 0.00 175.17 174.95 2b7e n PRO 36 N 4.24 0.08 0.31 4.34 -0.02 -1.26 -2.85 135.00 139.83 2b7e n PRO 36 Ca -0.26 0.23 0.19 0.00 -2.02 0.00 0.00 63.50 61.64 2b7e n PRO 36 Cb 0.50 -1.50 1.01 0.00 -0.02 0.00 0.00 33.50 33.49 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 0.30 114.38 115.29 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 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 2b7e h ARG 37 CO 0.00 0.02 -0.00 -0.92 -1.07 0.00 0.00 179.97 178.00 2b7e h TYR 38 N 0.00 0.00 0.00 3.04 3.20 -1.80 -2.78 116.97 118.63 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 0.15 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2b7e h TYR 38 CO 0.00 0.00 -1.61 0.91 -1.64 0.00 0.00 178.16 175.82 2b7e n TRP 39 N -3.10 0.17 -0.07 -3.82 7.02 0.08 -4.24 117.44 113.48 2b7e n TRP 39 Ca -0.01 0.05 -0.07 0.00 -1.02 0.00 0.00 57.50 56.45 2b7e n TRP 39 Cb 0.22 -0.49 -0.01 0.00 -2.42 0.00 0.00 31.31 28.61 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 0.08 -5.04 -0.99 2.86 -1.37 -3.36 114.93 107.11 2b7e h MET 40 Ca 0.00 -0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 57.01 2b7e h MET 40 Cb 0.90 -0.02 -0.15 0.00 0.06 0.00 0.00 31.60 32.39 2b7e h MET 40 CO 0.00 0.05 -0.47 0.54 1.06 0.00 0.00 176.91 178.09 2b7e s VAL 41 N -6.19 5.31 0.54 -2.22 0.11 -1.26 -4.98 120.40 111.72 2b7e s VAL 41 Ca -0.13 0.24 -0.22 0.00 -2.93 0.00 0.00 61.98 58.94 2b7e s VAL 41 Cb 0.11 -3.54 -0.05 0.00 -1.53 0.00 0.00 36.38 31.37 2b7e s VAL 41 CO 0.70 0.29 1.27 -0.90 -3.33 0.00 0.00 175.10 173.12 2b7e n ASP 42 N 4.69 2.27 -4.55 3.54 5.75 -1.26 -4.75 116.55 122.23 2b7e n ASP 42 Ca -0.14 0.96 -0.32 0.00 -0.01 0.00 0.00 54.79 55.28 2b7e n ASP 42 Cb 0.52 -1.53 -0.04 0.00 -1.03 0.00 0.00 41.12 39.04 2b7e n ASP 42 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 2b7e s ASP 43 N -0.94 5.11 -0.51 -1.12 -4.77 -1.26 -4.90 116.67 108.28 2b7e s ASP 43 Ca 0.71 -0.06 -0.14 0.00 -3.30 0.00 0.00 52.55 49.77 2b7e s ASP 43 Cb -0.43 -2.54 0.12 0.00 -1.09 0.00 0.00 42.92 38.98 2b7e s ASP 43 CO 0.50 -2.62 0.44 -0.62 0.70 0.00 0.00 175.17 173.56 2b7e s ASP 44 N 8.41 6.02 0.51 2.11 -1.08 -1.26 -4.96 116.67 126.42 2b7e s ASP 44 Ca 0.71 -1.79 0.17 0.00 -0.52 0.00 0.00 52.55 51.11 2b7e s ASP 44 Cb -0.10 -2.14 1.25 0.00 -1.46 0.00 0.00 42.92 40.46 2b7e s ASP 44 CO 0.11 -0.79 2.12 -0.65 0.52 0.00 0.00 175.17 176.49 2b7e h PRO 45 N 8.73 0.00 -0.16 4.34 0.11 -1.97 0.53 132.00 143.58 2b7e h PRO 45 Ca -0.27 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.62 2b7e h PRO 45 Cb 1.09 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.21 2b7e h PRO 45 CO 0.97 0.04 -0.77 1.25 -0.21 0.00 0.00 178.00 179.27 2b7e h LEU 46 N 0.00 0.95 0.03 2.35 7.12 -1.98 -0.29 115.31 123.50 2b7e h LEU 46 Ca -0.00 -0.62 -0.27 0.00 0.13 0.00 0.00 57.88 57.12 2b7e h LEU 46 Cb 0.07 -0.28 0.02 0.00 -0.53 0.00 0.00 40.66 39.94 2b7e h LEU 46 CO 0.01 1.42 -1.16 -0.25 -0.13 0.00 0.00 178.44 178.33 2b7e h TRP 47 N 0.55 0.78 -0.15 1.25 7.01 -1.79 -0.33 115.95 123.28 2b7e h TRP 47 Ca -0.05 -0.49 -0.03 0.00 2.11 0.00 0.00 58.89 60.44 2b7e h TRP 47 Cb 1.40 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 28.39 2b7e h TRP 47 CO 0.09 1.34 -0.03 0.87 -2.79 0.00 0.00 178.44 177.92 2b7e h LYS 48 N 0.22 0.21 0.13 2.65 6.56 0.03 0.32 116.57 126.69 2b7e h LYS 48 Ca -0.15 -0.03 -0.30 0.00 -1.06 0.00 0.00 60.65 59.11 2b7e h LYS 48 Cb 1.83 -0.04 0.03 0.00 -0.57 0.00 0.00 32.23 33.49 2b7e h LYS 48 CO 0.21 0.26 -1.25 0.87 -2.06 0.00 0.00 179.45 177.48 2b7e h LYS 49 N 0.21 0.62 -0.35 3.15 1.57 -0.97 -2.09 116.57 118.72 2b7e h LYS 49 Ca 0.05 -0.84 -0.01 0.00 -1.87 0.00 0.00 60.65 57.98 2b7e h LYS 49 Cb 0.19 0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 2b7e h LYS 49 CO 0.01 1.38 0.18 0.93 -0.57 0.00 0.00 179.45 181.38 2b7e h GLU 50 N 0.26 0.49 -0.09 3.15 5.08 -0.42 0.03 114.58 123.09 2b7e h GLU 50 Ca -0.19 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 57.96 2b7e h GLU 50 Cb 1.92 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.07 2b7e h GLU 50 CO 0.24 0.42 -0.60 0.00 -1.00 0.00 0.00 179.01 178.07 2b7e h MET 51 N 0.43 0.29 -0.29 2.33 -0.00 -0.48 -2.50 114.93 114.71 2b7e h MET 51 Ca 0.12 -0.20 -0.16 0.00 -0.00 0.00 0.00 59.70 59.46 2b7e h MET 51 Cb 0.08 0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 31.70 2b7e h MET 51 CO -0.02 0.80 -0.47 0.35 -0.00 0.00 0.00 176.91 177.58 2b7e h PHE 52 N 0.22 0.94 0.00 -0.10 3.57 -1.03 -0.27 116.94 120.27 2b7e h PHE 52 Ca -0.01 -0.30 -0.04 0.00 3.53 0.00 0.00 57.97 61.15 2b7e h PHE 52 Cb 1.11 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 2b7e h PHE 52 CO 0.03 1.09 -0.18 1.05 -2.23 0.00 0.00 178.31 178.06 2b7e h GLU 53 N 0.61 0.00 -0.15 1.11 4.11 -0.95 -1.39 114.58 117.91 2b7e h GLU 53 Ca 0.03 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.28 2b7e h GLU 53 Cb 1.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 2b7e h GLU 53 CO 0.10 0.18 -0.66 -0.22 0.07 0.00 0.00 179.01 178.48 2b7e h LYS 54 N 0.00 0.60 0.00 1.06 3.11 -0.99 0.33 116.57 120.68 2b7e h LYS 54 Ca -0.00 -0.44 -0.01 0.00 -2.81 0.00 0.00 60.65 57.38 2b7e h LYS 54 Cb 0.75 0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 32.06 2b7e h LYS 54 CO 0.02 1.06 -0.06 -0.92 -2.81 0.00 0.00 179.45 176.74 2b7e h TYR 55 N 0.43 0.00 0.03 1.91 3.20 -0.05 0.38 116.97 122.88 2b7e h TYR 55 Ca -0.02 0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.49 2b7e h TYR 55 Cb 1.25 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.46 2b7e h TYR 55 CO 0.06 0.06 -2.17 1.28 -1.64 0.00 0.00 178.16 175.76 2b7e n LEU 56 N -3.30 1.70 -0.08 2.82 4.77 -0.63 -3.39 117.00 118.90 2b7e n LEU 56 Ca -0.01 0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 55.96 2b7e n LEU 56 Cb 0.25 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 2b7e n LEU 56 CO 0.27 0.69 -0.34 -1.28 -1.33 0.00 0.00 177.39 175.40 2b7e h SER 57 N 0.02 0.00 0.02 -1.43 0.87 -0.22 -3.41 113.55 109.40 2b7e h SER 57 Ca -0.47 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 59.83 2b7e h SER 57 Cb 2.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.01 2b7e h SER 57 CO 0.02 1.04 -0.01 0.78 -0.53 0.00 0.00 176.83 178.13 2b7e h ASN 58 N -1.00 -0.03 0.00 6.23 -0.26 -0.64 -3.50 115.58 116.38 2b7e h ASN 58 Ca -0.14 -0.71 0.00 0.00 -0.56 0.00 0.00 56.30 54.89 2b7e h ASN 58 Cb 0.81 0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.08 2b7e h ASN 58 CO -0.08 0.76 0.00 0.54 -1.06 0.00 0.00 177.43 177.59