#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pna h GLN 18 N 0.00 0.00 0.00 1.96 4.15 -2.07 -3.39 115.11 115.77 2pna h GLN 18 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2pna h GLN 18 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2pna h GLN 18 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 178.83 173.43 2pna n ASP 19 N -2.75 0.00 -1.01 -0.69 -0.08 -1.26 -5.16 116.55 105.59 2pna n ASP 19 Ca 0.01 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.37 2pna n ASP 19 Cb 0.29 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.73 2pna n ASP 19 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2pna n ALA 20 N -0.17 -1.63 0.00 -1.67 0.00 -1.26 -4.75 120.51 111.03 2pna n ALA 20 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2pna n ALA 20 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2pna n ALA 20 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2pna n GLU 21 N -2.59 0.75 -0.05 0.00 0.28 -1.26 -4.82 120.64 112.94 2pna n GLU 21 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 2pna n GLU 21 Cb 0.26 -0.06 -0.13 0.00 1.43 0.00 0.00 31.44 32.94 2pna n GLU 21 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 2pna n TRP 22 N -0.09 0.00 -3.28 -1.84 8.01 -1.26 -4.48 117.44 114.51 2pna n TRP 22 Ca 0.00 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.81 2pna n TRP 22 Cb 0.00 -0.65 -0.06 0.00 -2.01 0.00 0.00 31.31 28.59 2pna n TRP 22 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 2pna s TYR 23 N -2.66 3.54 -0.57 -5.99 1.51 -1.26 -4.12 117.35 107.80 2pna s TYR 23 Ca -0.07 0.97 0.24 0.00 -1.01 0.00 0.00 57.07 57.19 2pna s TYR 23 Cb 0.07 -2.58 0.25 0.00 -0.11 0.00 0.00 41.96 39.59 2pna s TYR 23 CO 0.67 0.19 1.24 -1.49 -1.11 0.00 0.00 175.55 175.06 2pna h TRP 24 N 6.56 0.00 0.00 2.71 4.06 -1.90 -3.46 115.95 123.92 2pna h TRP 24 Ca -0.42 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.53 2pna h TRP 24 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 2pna h TRP 24 CO 0.63 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.92 2pna n GLY 25 N 1.31 2.19 3.15 1.49 0.00 -1.26 -4.97 105.19 107.11 2pna n GLY 25 Ca 0.03 -0.64 0.05 0.00 0.00 0.00 0.00 46.02 45.46 2pna n GLY 25 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2pna s ASP 26 N -0.18 -0.47 0.00 1.61 -4.77 -1.26 -4.87 116.67 106.73 2pna s ASP 26 Ca 0.00 0.26 0.00 0.00 -3.30 0.00 0.00 52.55 49.51 2pna s ASP 26 Cb 0.00 1.38 0.00 0.00 -1.09 0.00 0.00 42.92 43.21 2pna s ASP 26 CO 0.00 -0.09 0.00 2.30 0.70 0.00 0.00 175.17 178.08 2pna n ILE 27 N 5.44 0.00 -4.22 2.11 -0.00 -1.26 -4.85 119.36 116.58 2pna n ILE 27 Ca -0.05 0.00 -0.17 0.00 -0.00 0.00 0.00 62.75 62.53 2pna n ILE 27 Cb 0.54 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 40.12 2pna n ILE 27 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2pna n SER 28 N 0.00 -0.71 0.00 7.28 3.41 -1.26 -2.67 113.62 119.67 2pna n SER 28 Ca 0.00 -2.92 0.01 0.00 -0.26 0.00 0.00 58.87 55.69 2pna n SER 28 Cb 0.00 1.60 0.03 0.00 -0.26 0.00 0.00 64.21 65.58 2pna n SER 28 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2pna n ARG 29 N -0.56 0.00 0.06 4.33 1.85 -1.26 -1.37 116.66 119.71 2pna n ARG 29 Ca 0.06 0.47 -0.09 0.00 -1.00 0.00 0.00 57.85 57.29 2pna n ARG 29 Cb 0.54 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.38 2pna n ARG 29 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2pna h GLU 30 N 0.00 -0.24 0.01 2.89 5.08 -1.98 -2.43 114.58 117.92 2pna h GLU 30 Ca 0.00 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 2pna h GLU 30 Cb 0.02 0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.33 2pna h GLU 30 CO 0.00 0.13 -0.27 1.49 -1.00 0.00 0.00 179.01 179.36 2pna h GLU 31 N -0.94 0.16 -0.11 2.33 4.81 -1.85 -2.43 114.58 116.55 2pna h GLU 31 Ca -0.02 -0.19 0.03 0.00 -0.13 0.00 0.00 59.36 59.05 2pna h GLU 31 Cb 0.47 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.85 2pna h GLU 31 CO 0.04 0.96 -0.53 0.28 -0.73 0.00 0.00 179.01 179.03 2pna h VAL 32 N -0.55 0.02 0.00 0.32 2.07 -1.38 -2.28 116.25 114.44 2pna h VAL 32 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2pna h VAL 32 Cb 1.06 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2pna h VAL 32 CO 0.05 0.00 0.00 -3.20 0.02 0.00 0.00 177.57 174.44 2pna n ASN 33 N -5.44 0.00 -0.41 0.57 2.85 -0.91 -1.30 115.26 110.61 2pna n ASN 33 Ca -0.06 0.99 0.31 0.00 -0.11 0.00 0.00 54.58 55.71 2pna n ASN 33 Cb 0.38 -0.49 0.49 0.00 1.24 0.00 0.00 39.78 41.40 2pna n ASN 33 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2pna n GLU 34 N -2.18 -0.00 -0.01 1.20 1.02 -0.91 0.26 120.64 120.00 2pna n GLU 34 Ca 0.00 0.67 -0.18 0.00 -0.02 0.00 0.00 57.16 57.63 2pna n GLU 34 Cb 0.00 -1.51 -0.14 0.00 -0.02 0.00 0.00 31.44 29.77 2pna n GLU 34 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2pna n LYS 35 N -3.26 0.72 0.10 3.49 0.00 -0.86 -4.14 118.16 114.21 2pna n LYS 35 Ca 0.27 0.26 -0.00 0.00 0.00 0.00 0.00 58.31 58.83 2pna n LYS 35 Cb 1.19 -1.71 0.29 0.00 0.00 0.00 0.00 35.03 34.80 2pna n LYS 35 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2pna h LEU 36 N 0.05 0.24 -3.55 3.14 4.07 0.48 -3.05 115.31 116.69 2pna h LEU 36 Ca -0.40 -0.08 -0.07 0.00 0.08 0.00 0.00 57.88 57.41 2pna h LEU 36 Cb 2.03 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 43.68 2pna h LEU 36 CO 0.07 0.53 -0.12 0.54 -1.08 0.00 0.00 178.44 178.38 2pna n ARG 37 N -4.13 1.27 -2.03 1.13 5.12 -0.19 -3.04 116.66 114.79 2pna n ARG 37 Ca -0.01 -0.38 -0.01 0.00 -1.93 0.00 0.00 57.85 55.52 2pna n ARG 37 Cb 0.39 -1.44 0.04 0.00 -1.16 0.00 0.00 32.46 30.30 2pna n ARG 37 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2pna n ASP 38 N 1.99 -0.64 -0.70 0.55 2.03 -1.15 -5.03 116.55 113.59 2pna n ASP 38 Ca 0.16 -1.49 0.00 0.00 0.52 0.00 0.00 54.79 53.98 2pna n ASP 38 Cb 0.60 0.36 0.00 0.00 -0.72 0.00 0.00 41.12 41.37 2pna n ASP 38 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2pna n THR 39 N -0.55 0.00 -0.19 5.18 -2.24 -1.17 -5.08 114.28 110.24 2pna n THR 39 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2pna n THR 39 Cb 0.64 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 2pna n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pna n ALA 40 N -3.00 0.00 -2.70 6.98 0.00 -1.26 -4.96 120.51 115.57 2pna n ALA 40 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2pna n ALA 40 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2pna n ALA 40 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pna n ASP 41 N -0.62 6.55 0.00 0.00 2.03 -1.26 -4.57 116.55 118.67 2pna n ASP 41 Ca 0.00 -3.70 0.00 0.00 0.52 0.00 0.00 54.79 51.61 2pna n ASP 41 Cb 0.00 -0.99 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 2pna n ASP 41 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pna n GLY 42 N -0.13 -1.07 4.01 0.27 0.00 0.03 -4.35 105.19 103.95 2pna n GLY 42 Ca 0.43 0.46 -0.17 0.00 0.00 0.00 0.00 46.02 46.74 2pna n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pna s THR 43 N 0.00 2.90 -0.29 2.61 2.01 -1.07 -3.92 115.64 117.87 2pna s THR 43 Ca 0.00 -1.00 -0.17 0.00 0.31 0.00 0.00 61.69 60.84 2pna s THR 43 Cb 0.00 -2.90 0.13 0.00 0.01 0.00 0.00 72.50 69.74 2pna s THR 43 CO 0.00 0.00 0.92 0.72 -0.69 0.00 0.00 174.62 175.57 2pna s PHE 44 N -2.39 -0.66 0.00 4.92 -0.71 -1.23 -1.48 117.98 116.43 2pna s PHE 44 Ca 0.56 1.34 0.00 0.00 -1.04 0.00 0.00 56.93 57.79 2pna s PHE 44 Cb -0.09 0.40 0.00 0.00 -1.21 0.00 0.00 43.02 42.11 2pna s PHE 44 CO 0.34 -0.33 0.00 1.47 -1.34 0.00 0.00 175.22 175.36 2pna n LEU 45 N 3.71 0.00 -4.78 -1.99 -0.00 -0.77 -3.95 117.00 109.22 2pna n LEU 45 Ca -0.18 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.60 2pna n LEU 45 Cb 0.58 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.94 2pna n LEU 45 CO 0.01 0.00 -0.14 -0.69 -0.00 0.00 0.00 177.39 176.57 2pna s VAL 46 N -2.29 3.03 -0.22 1.47 1.01 -1.26 -2.58 120.40 119.56 2pna s VAL 46 Ca 0.00 -1.57 -0.04 0.00 0.00 0.00 0.00 61.98 60.37 2pna s VAL 46 Cb 0.00 -3.03 0.09 0.00 0.00 0.00 0.00 36.38 33.43 2pna s VAL 46 CO 0.00 -0.14 0.17 -0.60 0.00 0.00 0.00 175.10 174.53 2pna s ARG 47 N -3.93 0.16 -0.44 2.72 3.00 -0.24 -4.69 118.95 115.54 2pna s ARG 47 Ca 0.40 -0.08 -0.39 0.00 -1.00 0.00 0.00 55.73 54.66 2pna s ARG 47 Cb -0.03 -1.35 -0.17 0.00 0.00 0.00 0.00 34.95 33.40 2pna s ARG 47 CO 0.24 -0.78 1.73 -3.47 0.00 0.00 0.00 175.30 173.02 2pna n ASP 48 N 5.29 0.79 -0.05 -2.12 2.03 -1.09 -1.78 116.55 119.62 2pna n ASP 48 Ca -0.06 0.74 0.02 0.00 0.52 0.00 0.00 54.79 56.01 2pna n ASP 48 Cb 0.47 -0.78 -0.01 0.00 -0.72 0.00 0.00 41.12 40.08 2pna n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pna n ALA 49 N 5.61 2.54 0.00 -1.67 0.00 -1.26 -4.82 120.51 120.91 2pna n ALA 49 Ca 0.42 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2pna n ALA 49 Cb -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.25 2pna n ALA 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2pna n SER 50 N -0.77 0.00 0.00 0.00 7.64 -1.19 -4.91 113.62 114.40 2pna n SER 50 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2pna n SER 50 Cb 0.08 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2pna n SER 50 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2pna n THR 51 N 0.00 0.00 -4.41 0.44 -1.04 -1.26 -3.47 114.28 104.53 2pna n THR 51 Ca 0.00 0.70 -0.39 0.00 -2.04 0.00 0.00 64.05 62.32 2pna n THR 51 Cb 0.00 -1.30 -0.06 0.00 -1.82 0.00 0.00 70.33 67.15 2pna n THR 51 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2pna n LYS 52 N -0.37 -1.52 -3.17 -2.82 5.02 -1.26 -2.02 118.16 112.02 2pna n LYS 52 Ca 0.00 0.21 -0.23 0.00 -2.02 0.00 0.00 58.31 56.27 2pna n LYS 52 Cb 0.00 -4.70 0.02 0.00 -0.02 0.00 0.00 35.03 30.33 2pna n LYS 52 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2pna n MET 53 N -4.22 -2.15 -2.92 1.97 2.81 -1.26 -4.17 117.12 107.19 2pna n MET 53 Ca 0.05 1.78 -0.10 0.00 -1.81 0.00 0.00 57.70 57.61 2pna n MET 53 Cb 0.50 -3.81 0.01 0.00 -0.71 0.00 0.00 33.22 29.20 2pna n MET 53 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2pna n HIS 54 N -0.17 -3.38 -3.32 2.03 8.25 -0.98 -5.02 115.22 112.62 2pna n HIS 54 Ca 0.01 1.40 -0.13 0.00 -0.26 0.00 0.00 57.72 58.75 2pna n HIS 54 Cb 0.56 -3.69 -0.06 0.00 1.12 0.00 0.00 29.99 27.92 2pna n HIS 54 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2pna s GLY 55 N -2.21 -0.32 -0.03 -1.41 0.00 -0.86 -5.01 107.32 97.49 2pna s GLY 55 Ca 0.21 -0.72 -0.03 0.00 0.00 0.00 0.00 44.72 44.18 2pna s GLY 55 CO 0.76 2.96 0.05 1.34 0.00 0.00 0.00 173.10 178.21 2pna n ASP 56 N 4.24 -5.43 -0.56 1.64 2.03 -1.26 -4.25 116.55 112.95 2pna n ASP 56 Ca 0.12 1.50 0.00 0.00 0.52 0.00 0.00 54.79 56.93 2pna n ASP 56 Cb 0.48 -4.10 0.00 0.00 -0.72 0.00 0.00 41.12 36.78 2pna n ASP 56 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2pna n TYR 57 N 1.93 -0.45 -3.82 -0.67 4.02 -1.26 -3.17 117.16 113.73 2pna n TYR 57 Ca -0.09 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.53 2pna n TYR 57 Cb 0.14 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.29 2pna n TYR 57 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2pna s THR 58 N 1.12 0.83 -0.07 -0.72 2.01 -0.73 -2.31 115.64 115.78 2pna s THR 58 Ca 0.00 -0.54 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 2pna s THR 58 Cb 0.00 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 2pna s THR 58 CO 0.00 0.02 1.26 -0.22 -0.69 0.00 0.00 174.62 174.99 2pna s LEU 59 N 1.74 4.27 0.00 4.42 2.96 0.16 -1.08 118.68 131.15 2pna s LEU 59 Ca 0.00 1.86 0.05 0.00 -0.22 0.00 0.00 54.13 55.82 2pna s LEU 59 Cb -0.16 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 2pna s LEU 59 CO -0.07 -0.65 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.25 2pna s THR 60 N 2.55 1.28 0.02 3.68 2.01 -1.07 0.27 115.64 124.38 2pna s THR 60 Ca 0.58 -0.78 -0.10 0.00 0.31 0.00 0.00 61.69 61.69 2pna s THR 60 Cb -0.26 -1.08 0.01 0.00 0.01 0.00 0.00 72.50 71.18 2pna s THR 60 CO 0.22 0.29 0.21 -1.48 -0.69 0.00 0.00 174.62 173.16 2pna s LEU 61 N -0.57 1.29 -0.62 4.42 2.34 -0.98 -1.85 118.68 122.71 2pna s LEU 61 Ca 0.06 -0.24 -0.27 0.00 0.06 0.00 0.00 54.13 53.74 2pna s LEU 61 Cb -0.07 0.96 0.03 0.00 -0.56 0.00 0.00 46.19 46.56 2pna s LEU 61 CO -0.00 -0.49 1.19 -0.60 -1.06 0.00 0.00 176.35 175.39 2pna s ARG 62 N -2.04 3.40 -0.27 1.48 6.06 -0.55 -0.69 118.95 126.35 2pna s ARG 62 Ca -0.09 0.05 0.03 0.00 -2.50 0.00 0.00 55.73 53.21 2pna s ARG 62 Cb -0.03 -4.07 0.06 0.00 0.06 0.00 0.00 34.95 30.97 2pna s ARG 62 CO -0.01 -1.80 -0.10 0.21 -2.50 0.00 0.00 175.30 171.11 2pna s LYS 63 N 5.06 2.23 -0.39 5.12 2.36 -0.98 -0.79 119.74 132.35 2pna s LYS 63 Ca 0.39 -1.36 0.00 0.00 -2.55 0.00 0.00 55.97 52.45 2pna s LYS 63 Cb -0.08 -2.93 0.00 0.00 -1.05 0.00 0.00 37.83 33.77 2pna s LYS 63 CO 0.22 -0.59 0.00 0.41 1.55 0.00 0.00 175.35 176.94 2pna n GLY 64 N 4.44 0.67 1.75 5.54 0.00 -1.26 -2.27 105.19 114.06 2pna n GLY 64 Ca -0.13 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2pna n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pna n GLY 65 N -2.26 0.78 3.16 -0.02 0.00 -1.26 -5.02 105.19 100.57 2pna n GLY 65 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 2pna n GLY 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pna s ASN 66 N -2.68 3.37 -0.33 1.61 2.47 -0.96 -5.05 114.94 113.37 2pna s ASN 66 Ca 0.00 -0.61 -0.28 0.00 0.42 0.00 0.00 52.86 52.39 2pna s ASN 66 Cb 0.00 -1.53 -0.06 0.00 -1.45 0.00 0.00 41.25 38.21 2pna s ASN 66 CO 0.00 -0.01 2.30 -0.46 -3.72 0.00 0.00 177.10 175.21 2pna n ASN 67 N 4.65 2.84 -4.86 -4.21 0.23 -1.26 -2.32 115.26 110.33 2pna n ASN 67 Ca -0.20 -0.03 -0.32 0.00 -0.53 0.00 0.00 54.58 53.50 2pna n ASN 67 Cb 0.50 -1.54 -0.05 0.00 -2.08 0.00 0.00 39.78 36.61 2pna n ASN 67 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2pna s LYS 68 N 7.04 3.88 -0.08 -3.83 2.20 0.14 -4.90 119.74 124.19 2pna s LYS 68 Ca 1.01 0.51 0.03 0.00 -0.36 0.00 0.00 55.97 57.16 2pna s LYS 68 Cb -0.32 -2.47 -0.02 0.00 -1.51 0.00 0.00 37.83 33.51 2pna s LYS 68 CO 0.33 0.13 -0.16 -1.17 -0.36 0.00 0.00 175.35 174.12 2pna s LEU 69 N -3.23 2.60 0.03 5.43 0.20 -1.26 -2.31 118.68 120.14 2pna s LEU 69 Ca 0.52 -0.31 0.00 0.00 0.69 0.00 0.00 54.13 55.03 2pna s LEU 69 Cb -0.10 -1.54 -0.02 0.00 -0.43 0.00 0.00 46.19 44.09 2pna s LEU 69 CO 0.23 0.26 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.88 2pna s ILE 70 N -0.20 0.19 0.23 6.68 1.01 0.14 -5.00 121.20 124.24 2pna s ILE 70 Ca -0.00 -1.11 0.05 0.00 0.00 0.00 0.00 60.65 59.58 2pna s ILE 70 Cb -0.13 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 2pna s ILE 70 CO 0.03 -0.59 0.32 -0.54 0.00 0.00 0.00 174.94 174.16 2pna s LYS 71 N -1.97 3.35 -0.16 2.79 1.02 -1.26 0.37 119.74 123.88 2pna s LYS 71 Ca -0.11 -0.78 -0.04 0.00 0.02 0.00 0.00 55.97 55.06 2pna s LYS 71 Cb -0.06 -2.85 -0.03 0.00 -0.52 0.00 0.00 37.83 34.37 2pna s LYS 71 CO -0.03 0.44 -0.01 0.42 -0.92 0.00 0.00 175.35 175.25 2pna s ILE 72 N -1.96 4.13 -0.42 2.17 -1.09 -0.98 -4.64 121.20 118.41 2pna s ILE 72 Ca 0.34 -0.28 -0.16 0.00 -2.23 0.00 0.00 60.65 58.32 2pna s ILE 72 Cb -0.09 -2.82 0.03 0.00 -1.58 0.00 0.00 42.46 38.00 2pna s ILE 72 CO 0.28 0.49 0.36 -0.36 -1.23 0.00 0.00 174.94 174.48 2pna s PHE 73 N 0.27 3.22 0.29 3.97 0.08 -1.12 -4.50 117.98 120.18 2pna s PHE 73 Ca -0.01 -0.58 0.06 0.00 0.12 0.00 0.00 56.93 56.52 2pna s PHE 73 Cb -0.14 -2.77 -0.06 0.00 -0.57 0.00 0.00 43.02 39.49 2pna s PHE 73 CO 0.02 -0.66 -0.03 -1.58 -0.10 0.00 0.00 175.22 172.88 2pna s HIS 74 N 1.82 1.94 0.00 0.36 5.65 -1.26 0.18 115.29 123.97 2pna s HIS 74 Ca 0.07 -0.77 0.00 0.00 0.25 0.00 0.00 55.06 54.61 2pna s HIS 74 Cb -0.19 -1.15 0.00 0.00 -1.18 0.00 0.00 32.58 30.06 2pna s HIS 74 CO 0.11 0.20 0.00 -2.13 -0.65 0.00 0.00 174.74 172.27 2pna n ARG 75 N -0.60 0.00 0.00 2.88 0.63 -1.26 -4.92 116.66 113.39 2pna n ARG 75 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 2pna n ARG 75 Cb 0.64 -0.24 0.00 0.00 0.45 0.00 0.00 32.46 33.31 2pna n ARG 75 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 2pna n ASP 76 N -1.82 0.11 0.00 6.15 5.75 -1.26 -4.99 116.55 120.48 2pna n ASP 76 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2pna n ASP 76 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2pna n ASP 76 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pna n GLY 77 N 1.72 0.80 0.67 6.12 0.00 -1.26 -5.10 105.19 108.14 2pna n GLY 77 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2pna n GLY 77 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2pna n LYS 78 N 0.00 1.24 -4.25 1.61 2.85 -1.26 -4.90 118.16 113.45 2pna n LYS 78 Ca 0.00 -0.58 -0.14 0.00 -1.05 0.00 0.00 58.31 56.54 2pna n LYS 78 Cb 0.21 0.04 -0.10 0.00 -0.65 0.00 0.00 35.03 34.52 2pna n LYS 78 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2pna s TYR 79 N -0.25 1.29 -0.04 5.58 1.51 -1.25 -4.18 117.35 120.02 2pna s TYR 79 Ca 0.07 -1.19 -0.01 0.00 -1.01 0.00 0.00 57.07 54.93 2pna s TYR 79 Cb -0.01 -0.73 0.03 0.00 -0.11 0.00 0.00 41.96 41.15 2pna s TYR 79 CO 0.04 -0.39 0.08 0.20 -1.11 0.00 0.00 175.55 174.37 2pna s GLY 80 N -3.21 0.06 0.00 0.71 0.00 0.46 -4.04 107.32 101.31 2pna s GLY 80 Ca 0.33 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.49 2pna s GLY 80 CO 0.09 0.93 0.00 0.69 0.00 0.00 0.00 173.10 174.82 2pna n PHE 81 N 4.38 0.00 0.00 1.90 3.72 -1.26 -2.81 117.46 123.40 2pna n PHE 81 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 2pna n PHE 81 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 2pna n PHE 81 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2pna n SER 82 N -0.16 0.00 -4.84 4.37 2.88 -1.26 -5.11 113.62 109.50 2pna n SER 82 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 2pna n SER 82 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2pna n SER 82 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2pna s ASP 83 N -1.04 6.68 -0.59 -3.46 1.01 -1.26 -4.94 116.67 113.06 2pna s ASP 83 Ca 0.00 0.81 -0.26 0.00 0.71 0.00 0.00 52.55 53.81 2pna s ASP 83 Cb 0.00 -2.20 -0.27 0.00 1.01 0.00 0.00 42.92 41.46 2pna s ASP 83 CO 0.00 0.33 1.80 -0.81 0.21 0.00 0.00 175.17 176.70 2pna n PRO 84 N 2.00 0.05 -3.15 8.23 -0.04 -1.26 -4.10 135.00 136.73 2pna n PRO 84 Ca -0.15 -1.29 -0.10 0.00 -0.04 0.00 0.00 63.50 61.92 2pna n PRO 84 Cb 0.53 -3.15 -0.03 0.00 -0.04 0.00 0.00 33.50 30.81 2pna n PRO 84 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2pna n LEU 85 N 14.57 -0.27 -0.01 1.53 4.77 -1.26 -4.71 117.00 131.63 2pna n LEU 85 Ca 0.39 -0.40 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 2pna n LEU 85 Cb 0.45 -0.49 -0.12 0.00 -2.33 0.00 0.00 43.42 40.92 2pna n LEU 85 CO 0.79 0.16 -0.52 0.41 -1.33 0.00 0.00 177.39 176.90 2pna n THR 86 N -2.13 0.00 0.00 -5.08 -1.04 -1.26 -4.88 114.28 99.89 2pna n THR 86 Ca -0.10 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 2pna n THR 86 Cb 0.21 0.36 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 2pna n THR 86 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 2pna n PHE 87 N -1.90 0.00 0.00 -1.42 -1.74 -1.26 -5.08 117.46 106.06 2pna n PHE 87 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.88 2pna n PHE 87 Cb 0.40 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.40 2pna n PHE 87 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 2pna n ASN 88 N 0.00 0.00 -4.72 5.98 0.23 -1.26 -4.92 115.26 110.57 2pna n ASN 88 Ca 0.00 0.00 -0.35 0.00 -0.53 0.00 0.00 54.58 53.70 2pna n ASN 88 Cb 0.00 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.61 2pna n ASN 88 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2pna s SER 89 N 0.00 5.43 0.24 0.53 0.01 -1.26 -3.75 113.70 114.90 2pna s SER 89 Ca 0.00 0.18 0.06 0.00 1.31 0.00 0.00 55.95 57.49 2pna s SER 89 Cb 0.00 -1.56 0.26 0.00 0.21 0.00 0.00 66.02 64.93 2pna s SER 89 CO 0.00 0.36 1.56 0.58 0.41 0.00 0.00 173.24 176.15 2pna h VAL 90 N 3.98 1.41 -0.32 3.43 2.07 -1.97 -2.84 116.25 122.01 2pna h VAL 90 Ca -0.51 -2.05 0.02 0.00 0.82 0.00 0.00 66.70 64.98 2pna h VAL 90 Cb 1.19 2.06 -0.03 0.00 -1.52 0.00 0.00 31.29 33.00 2pna h VAL 90 CO 0.56 0.60 0.15 0.58 0.02 0.00 0.00 177.57 179.48 2pna h VAL 91 N 0.13 0.97 -0.77 2.57 2.07 -1.96 1.21 116.25 120.47 2pna h VAL 91 Ca -0.01 -0.11 0.14 0.00 0.82 0.00 0.00 66.70 67.55 2pna h VAL 91 Cb 1.13 0.63 -0.10 0.00 -1.52 0.00 0.00 31.29 31.43 2pna h VAL 91 CO 0.09 0.06 0.32 -0.08 0.02 0.00 0.00 177.57 177.98 2pna h GLU 92 N 0.31 0.45 0.00 1.57 4.57 -1.92 0.64 114.58 120.20 2pna h GLU 92 Ca 0.13 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2pna h GLU 92 Cb 0.06 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2pna h GLU 92 CO -0.10 0.30 0.00 -0.11 -1.18 0.00 0.00 179.01 177.92 2pna n LEU 93 N -4.99 0.90 -0.39 1.64 0.00 0.03 -2.52 117.00 111.67 2pna n LEU 93 Ca 0.15 0.43 0.33 0.00 0.00 0.00 0.00 56.01 56.91 2pna n LEU 93 Cb 0.42 -0.30 0.60 0.00 0.00 0.00 0.00 43.42 44.14 2pna n LEU 93 CO 0.18 -0.30 1.18 0.40 0.00 0.00 0.00 177.39 178.86 2pna h ILE 94 N 0.00 0.17 -0.12 1.96 1.08 0.14 0.58 117.51 121.31 2pna h ILE 94 Ca 0.00 -0.05 -0.01 0.00 -0.39 0.00 0.00 64.86 64.41 2pna h ILE 94 Cb 0.00 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 33.76 2pna h ILE 94 CO 0.00 0.03 0.03 -1.13 -0.69 0.00 0.00 178.15 176.39 2pna h ASN 95 N 0.14 0.18 0.11 1.72 -1.24 0.19 0.83 115.58 117.51 2pna h ASN 95 Ca 0.79 -0.23 0.00 0.00 0.71 0.00 0.00 56.30 57.57 2pna h ASN 95 Cb 2.27 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 41.27 2pna h ASN 95 CO -0.50 0.36 0.00 1.57 -1.29 0.00 0.00 177.43 177.57 2pna n HIS 96 N -4.86 0.12 -0.07 0.67 -0.00 0.19 -1.42 115.22 109.85 2pna n HIS 96 Ca -0.05 0.06 -0.06 0.00 0.46 0.00 0.00 57.72 58.12 2pna n HIS 96 Cb 0.15 -0.59 -0.13 0.00 -0.12 0.00 0.00 29.99 29.30 2pna n HIS 96 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2pna n TYR 97 N -1.62 0.00 -0.17 1.57 4.01 -0.30 -4.19 117.16 116.46 2pna n TYR 97 Ca 0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.67 2pna n TYR 97 Cb 0.04 -0.74 0.01 0.00 -0.31 0.00 0.00 39.34 38.34 2pna n TYR 97 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2pna h ARG 98 N 0.00 0.69 0.00 -0.72 3.08 0.18 0.53 114.38 118.15 2pna h ARG 98 Ca -0.38 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.55 2pna h ARG 98 Cb 1.84 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.75 2pna h ARG 98 CO 0.02 0.56 -0.16 -0.91 -1.07 0.00 0.00 179.97 178.40 2pna h ASN 99 N 0.65 0.00 0.00 7.04 4.21 -1.74 -3.41 115.58 122.33 2pna h ASN 99 Ca 0.17 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.68 2pna h ASN 99 Cb 0.08 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.28 2pna h ASN 99 CO -0.02 0.16 0.00 -0.62 -1.29 0.00 0.00 177.43 175.66 2pna n GLU 100 N -3.70 0.00 0.00 0.81 1.02 -0.56 -5.14 120.64 113.07 2pna n GLU 100 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2pna n GLU 100 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.70 2pna n GLU 100 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2pna n SER 101 N 0.00 0.00 -4.16 1.62 7.64 0.07 -4.72 113.62 114.06 2pna n SER 101 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 2pna n SER 101 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 2pna n SER 101 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2pna s LEU 102 N 0.00 5.20 0.00 -3.43 1.43 -0.78 -4.89 118.68 116.21 2pna s LEU 102 Ca 0.00 -1.86 0.00 0.00 -1.03 0.00 0.00 54.13 51.24 2pna s LEU 102 Cb 0.00 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.34 2pna s LEU 102 CO 0.00 -0.55 0.41 0.00 0.23 0.00 0.00 176.35 176.44 2pna n ALA 103 N 4.70 1.98 -3.69 4.21 0.00 -1.25 -2.43 120.51 124.02 2pna n ALA 103 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.10 2pna n ALA 103 Cb 0.42 -1.37 -0.00 0.00 0.00 0.00 0.00 19.45 18.49 2pna n ALA 103 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2pna n GLN 104 N 1.37 -3.71 -0.58 0.00 -0.06 -1.26 -0.12 117.38 113.02 2pna n GLN 104 Ca 0.00 0.47 -0.02 0.00 -2.00 0.00 0.00 57.00 55.45 2pna n GLN 104 Cb 0.14 -5.22 -0.01 0.00 -4.06 0.00 0.00 30.24 21.09 2pna n GLN 104 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2pna n TYR 105 N -4.19 -0.25 -3.73 3.69 4.01 -1.26 -4.84 117.16 110.59 2pna n TYR 105 Ca 0.02 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.57 2pna n TYR 105 Cb 0.52 -1.18 -0.17 0.00 -0.31 0.00 0.00 39.34 38.20 2pna n TYR 105 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2pna s ASN 106 N -0.87 1.02 0.23 7.72 -0.87 0.83 -5.04 114.94 117.96 2pna s ASN 106 Ca 0.00 0.03 -0.05 0.00 -1.57 0.00 0.00 52.86 51.27 2pna s ASN 106 Cb 0.00 -0.20 0.22 0.00 -0.02 0.00 0.00 41.25 41.25 2pna s ASN 106 CO 0.00 -0.21 1.71 1.55 -2.57 0.00 0.00 177.10 177.58 2pna h PRO 107 N 8.16 0.92 -1.57 -0.60 0.13 -1.89 -2.97 132.00 134.18 2pna h PRO 107 Ca -0.21 -0.27 0.46 0.00 -0.87 0.00 0.00 66.00 65.11 2pna h PRO 107 Cb 1.12 -0.10 -0.06 0.00 0.13 0.00 0.00 31.00 32.09 2pna h PRO 107 CO 0.24 0.91 1.23 1.63 -0.23 0.00 0.00 178.00 181.78 2pna n LYS 108 N -4.20 0.00 -2.20 0.86 5.02 -1.26 -4.51 118.16 111.87 2pna n LYS 108 Ca 0.03 0.95 -0.04 0.00 -2.02 0.00 0.00 58.31 57.22 2pna n LYS 108 Cb 0.32 -2.23 -0.00 0.00 -0.02 0.00 0.00 35.03 33.10 2pna n LYS 108 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2pna n LEU 109 N -3.54 0.00 -3.61 -0.35 -0.00 -1.12 -5.19 117.00 103.19 2pna n LEU 109 Ca 0.35 -0.90 -0.04 0.00 -0.00 0.00 0.00 56.01 55.42 2pna n LEU 109 Cb 1.70 0.98 -0.03 0.00 -0.00 0.00 0.00 43.42 46.07 2pna n LEU 109 CO 0.35 -0.24 1.03 1.51 -0.00 0.00 0.00 177.39 180.05 2pna s ASP 110 N -1.70 -0.13 0.02 1.45 1.47 -1.26 -4.64 116.67 111.88 2pna s ASP 110 Ca 0.08 0.03 -0.04 0.00 1.18 0.00 0.00 52.55 53.81 2pna s ASP 110 Cb -0.01 0.13 -0.01 0.00 -0.34 0.00 0.00 42.92 42.69 2pna s ASP 110 CO 0.06 -0.19 0.05 -0.69 0.68 0.00 0.00 175.17 175.08 2pna s VAL 111 N -2.09 0.11 -0.27 2.11 1.01 -1.02 -4.90 120.40 115.34 2pna s VAL 111 Ca 0.09 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 2pna s VAL 111 Cb -0.01 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.88 2pna s VAL 111 CO -0.04 -0.48 0.23 -1.59 0.00 0.00 0.00 175.10 173.22 2pna s LYS 112 N -1.64 3.98 -1.09 2.72 -2.85 -1.26 -1.86 119.74 117.73 2pna s LYS 112 Ca -0.14 -0.22 -0.16 0.00 -1.00 0.00 0.00 55.97 54.45 2pna s LYS 112 Cb -0.07 -3.65 0.15 0.00 -2.06 0.00 0.00 37.83 32.20 2pna s LYS 112 CO -0.01 -0.18 1.32 -1.17 0.10 0.00 0.00 175.35 175.41 2pna s LEU 113 N 1.77 4.98 -0.20 2.77 2.96 -1.26 -4.70 118.68 125.00 2pna s LEU 113 Ca 0.09 -2.56 0.22 0.00 -0.22 0.00 0.00 54.13 51.66 2pna s LEU 113 Cb -0.16 -2.41 0.48 0.00 0.50 0.00 0.00 46.19 44.61 2pna s LEU 113 CO 0.10 -0.90 1.13 0.18 -1.32 0.00 0.00 176.35 175.54 2pna n LEU 114 N 6.16 1.74 -2.96 -0.68 4.77 -1.26 -4.59 117.00 120.18 2pna n LEU 114 Ca 0.32 -2.94 -0.15 0.00 -0.03 0.00 0.00 56.01 53.20 2pna n LEU 114 Cb 0.46 0.27 -0.00 0.00 -2.33 0.00 0.00 43.42 41.81 2pna n LEU 114 CO 0.58 1.00 -0.03 -1.22 -1.33 0.00 0.00 177.39 176.40 2pna n TYR 115 N -0.36 -1.87 -1.52 -1.77 4.01 -1.25 -5.10 117.16 109.29 2pna n TYR 115 Ca 0.10 -2.65 -0.30 0.00 -0.16 0.00 0.00 57.90 54.89 2pna n TYR 115 Cb 0.89 0.66 0.10 0.00 -0.31 0.00 0.00 39.34 40.68 2pna n TYR 115 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2pna s PRO 116 N -0.30 1.82 -0.04 -0.72 0.04 -1.26 -3.53 135.00 131.00 2pna s PRO 116 Ca 0.33 0.58 0.02 0.00 0.04 0.00 0.00 61.00 61.97 2pna s PRO 116 Cb 0.22 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.87 2pna s PRO 116 CO -0.17 -1.79 -0.09 0.14 0.04 0.00 0.00 177.00 175.13 2pna s VAL 117 N -3.16 0.85 0.00 -0.36 -7.23 -1.25 -4.88 120.40 104.36 2pna s VAL 117 Ca 0.62 -0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.44 2pna s VAL 117 Cb -0.15 -0.78 0.00 0.00 0.56 0.00 0.00 36.38 36.01 2pna s VAL 117 CO 0.54 0.28 0.00 -0.24 -0.31 0.00 0.00 175.10 175.37 2pna n SER 118 N 3.67 0.00 -0.76 4.85 2.88 -1.26 -4.73 113.62 118.26 2pna n SER 118 Ca -0.22 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.38 2pna n SER 118 Cb 0.52 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 64.21 2pna n SER 118 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2pna n LYS 119 N 0.00 2.33 0.00 -1.46 4.76 -1.26 -5.17 118.16 117.36 2pna n LYS 119 Ca 0.00 -2.87 0.13 0.00 -2.87 0.00 0.00 58.31 52.71 2pna n LYS 119 Cb 0.00 -1.76 0.78 0.00 -1.84 0.00 0.00 35.03 32.20 2pna n LYS 119 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69