#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mop s LEU 20 N 0.00 2.50 0.77 4.03 0.05 -1.26 -4.92 118.68 119.85 3mop s LEU 20 Ca 0.00 -0.94 -0.15 0.00 0.05 0.00 0.00 54.13 53.10 3mop s LEU 20 Cb 0.00 -1.13 0.02 0.00 -2.05 0.00 0.00 46.19 43.03 3mop s LEU 20 CO 0.00 0.08 0.88 -0.81 -0.55 0.00 0.00 176.35 175.96 3mop n PRO 21 N -0.11 0.28 0.26 1.48 -0.04 -1.26 -1.88 135.00 133.72 3mop n PRO 21 Ca -0.09 0.15 0.09 0.00 -0.04 0.00 0.00 63.50 63.61 3mop n PRO 21 Cb 0.58 -2.16 0.66 0.00 -0.04 0.00 0.00 33.50 32.54 3mop n PRO 21 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3mop h LEU 22 N -0.62 0.00 -1.88 1.53 -0.00 -1.81 -2.59 115.31 109.93 3mop h LEU 22 Ca -0.46 0.00 0.31 0.00 -0.00 0.00 0.00 57.88 57.73 3mop h LEU 22 Cb 1.32 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.94 3mop h LEU 22 CO 0.44 0.04 0.86 0.00 -0.00 0.00 0.00 178.44 179.78 3mop h ALA 23 N 1.96 2.97 -0.87 1.53 0.00 -1.89 -0.14 119.26 122.83 3mop h ALA 23 Ca -0.00 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.08 3mop h ALA 23 Cb 0.07 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 17.83 3mop h ALA 23 CO 0.01 -1.41 0.36 0.00 0.00 0.00 0.00 179.25 178.21 3mop h ALA 24 N 1.29 1.35 -2.18 0.00 0.00 -1.80 -3.41 119.26 114.51 3mop h ALA 24 Ca 0.51 0.15 -0.55 0.00 0.00 0.00 0.00 54.91 55.02 3mop h ALA 24 Cb 2.22 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 20.15 3mop h ALA 24 CO -0.01 -0.31 1.21 -0.51 0.00 0.00 0.00 179.25 179.63 3mop s LEU 25 N -10.49 4.10 0.00 0.00 1.43 -0.07 -4.87 118.68 108.78 3mop s LEU 25 Ca -0.12 2.14 0.00 0.00 -1.03 0.00 0.00 54.13 55.13 3mop s LEU 25 Cb 0.24 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.93 3mop s LEU 25 CO 0.78 -1.22 0.00 -0.46 0.23 0.00 0.00 176.35 175.67 3mop n ASN 26 N 8.36 -0.97 0.02 2.29 6.94 -1.26 -4.82 115.26 125.83 3mop n ASN 26 Ca 0.21 -0.02 -0.01 0.00 -0.02 0.00 0.00 54.58 54.74 3mop n ASN 26 Cb 0.43 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.85 3mop n ASN 26 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 3mop h MET 27 N 0.00 -0.05 0.00 -3.83 2.86 -1.97 -3.29 114.93 108.65 3mop h MET 27 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3mop h MET 27 Cb 0.00 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3mop h MET 27 CO 0.00 -0.03 0.00 -2.13 1.06 0.00 0.00 176.91 175.81 3mop n ARG 28 N -2.25 0.00 -0.18 1.72 3.00 -1.26 -0.89 116.66 116.80 3mop n ARG 28 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.74 3mop n ARG 28 Cb 0.02 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.49 3mop n ARG 28 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 3mop h VAL 29 N 0.00 1.27 0.00 5.15 -1.51 -1.95 -0.83 116.25 118.39 3mop h VAL 29 Ca 0.00 -1.30 0.00 0.00 -1.23 0.00 0.00 66.70 64.17 3mop h VAL 29 Cb 0.00 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 30.15 3mop h VAL 29 CO 0.00 0.46 0.00 0.54 -1.23 0.00 0.00 177.57 177.34 3mop n ARG 30 N -4.13 0.02 -0.08 5.19 1.74 -0.07 0.15 116.66 119.47 3mop n ARG 30 Ca 0.01 0.38 -0.09 0.00 -0.77 0.00 0.00 57.85 57.38 3mop n ARG 30 Cb 0.42 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.33 3mop n ARG 30 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3mop n ARG 31 N -1.44 0.50 -0.21 5.56 0.00 -0.41 -3.71 116.66 116.95 3mop n ARG 31 Ca 0.01 0.37 -0.01 0.00 -0.00 0.00 0.00 57.85 58.23 3mop n ARG 31 Cb 0.04 -1.57 0.10 0.00 0.00 0.00 0.00 32.46 31.04 3mop n ARG 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3mop h ARG 32 N -1.00 0.50 -1.09 -0.14 3.08 -0.83 0.42 114.38 115.32 3mop h ARG 32 Ca -0.05 -0.03 0.33 0.00 0.07 0.00 0.00 59.98 60.30 3mop h ARG 32 Cb 0.83 -0.11 -0.13 0.00 0.08 0.00 0.00 29.97 30.63 3mop h ARG 32 CO -0.03 0.33 0.66 1.25 -1.07 0.00 0.00 179.97 181.11 3mop h LEU 33 N 0.52 0.45 0.15 3.04 6.46 0.11 0.12 115.31 126.15 3mop h LEU 33 Ca 0.30 0.15 -0.24 0.00 -0.12 0.00 0.00 57.88 57.97 3mop h LEU 33 Cb 0.30 0.09 0.03 0.00 -0.73 0.00 0.00 40.66 40.35 3mop h LEU 33 CO -0.25 -0.07 -1.02 0.28 -0.62 0.00 0.00 178.44 176.76 3mop h SER 34 N 0.30 0.64 -0.87 1.25 0.02 -0.47 -2.19 113.55 112.24 3mop h SER 34 Ca 0.71 -0.90 0.18 0.00 -0.84 0.00 0.00 61.79 60.94 3mop h SER 34 Cb 1.81 -0.21 -0.11 0.00 0.14 0.00 0.00 62.40 64.04 3mop h SER 34 CO -0.47 1.48 0.43 -0.07 -1.14 0.00 0.00 176.83 177.06 3mop h LEU 35 N -0.11 0.47 0.03 5.07 -0.00 0.21 -2.05 115.31 118.94 3mop h LEU 35 Ca -0.17 0.11 -0.05 0.00 -0.00 0.00 0.00 57.88 57.77 3mop h LEU 35 Cb 1.77 0.05 0.01 0.00 -0.00 0.00 0.00 40.66 42.49 3mop h LEU 35 CO 0.19 0.14 -0.22 -0.26 -0.00 0.00 0.00 178.44 178.29 3mop h PHE 36 N 0.55 0.16 -0.00 1.13 -1.00 -1.22 -3.37 116.94 113.19 3mop h PHE 36 Ca 0.50 -0.11 0.00 0.00 2.81 0.00 0.00 57.97 61.17 3mop h PHE 36 Cb 0.82 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.37 3mop h PHE 36 CO -0.10 1.05 -0.13 1.28 -1.61 0.00 0.00 178.31 178.81 3mop n LEU 37 N -4.49 0.13 -1.45 1.54 4.77 -0.82 -3.50 117.00 113.18 3mop n LEU 37 Ca -0.11 0.37 -0.12 0.00 -0.03 0.00 0.00 56.01 56.12 3mop n LEU 37 Cb 0.56 -0.43 0.13 0.00 -2.33 0.00 0.00 43.42 41.35 3mop n LEU 37 CO 0.38 0.03 0.54 -0.46 -1.33 0.00 0.00 177.39 176.55 3mop n ASN 38 N -1.50 3.61 -4.53 -1.43 2.04 -0.79 0.63 115.26 113.29 3mop n ASN 38 Ca 0.07 -3.81 -0.42 0.00 -0.44 0.00 0.00 54.58 49.98 3mop n ASN 38 Cb 0.34 -0.56 -0.03 0.00 -2.53 0.00 0.00 39.78 37.00 3mop n ASN 38 CO 0.00 0.00 0.00 0.68 -0.44 0.00 0.00 177.26 177.50 3mop s VAL 39 N -3.84 4.19 -0.11 3.53 -7.23 -1.23 -5.02 120.40 110.70 3mop s VAL 39 Ca 0.47 0.40 -0.30 0.00 -1.81 0.00 0.00 61.98 60.75 3mop s VAL 39 Cb 0.41 -4.66 -0.03 0.00 0.56 0.00 0.00 36.38 32.67 3mop s VAL 39 CO -0.00 -1.31 1.34 -0.13 -0.31 0.00 0.00 175.10 174.68 3mop s ARG 40 N 4.47 4.25 -0.13 4.82 0.52 -1.26 -4.78 118.95 126.83 3mop s ARG 40 Ca 0.34 1.79 -0.01 0.00 -0.52 0.00 0.00 55.73 57.32 3mop s ARG 40 Cb -0.11 -3.74 0.04 0.00 0.52 0.00 0.00 34.95 31.66 3mop s ARG 40 CO 0.19 -0.67 -0.01 -0.08 0.02 0.00 0.00 175.30 174.75 3mop s THR 41 N 3.23 0.70 -2.00 0.02 -1.32 -1.26 -5.02 115.64 109.99 3mop s THR 41 Ca 0.59 -0.31 0.24 0.00 -1.21 0.00 0.00 61.69 61.00 3mop s THR 41 Cb -0.25 -0.93 0.68 0.00 -1.51 0.00 0.00 72.50 70.48 3mop s THR 41 CO 0.20 0.12 1.79 1.67 -2.21 0.00 0.00 174.62 176.19 3mop n GLN 42 N 5.02 0.76 -0.07 7.08 7.27 -1.26 -3.37 117.38 132.80 3mop n GLN 42 Ca -0.10 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.89 3mop n GLN 42 Cb 0.49 -1.49 -0.08 0.00 2.41 0.00 0.00 30.24 31.56 3mop n GLN 42 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3mop n VAL 43 N -0.99 0.85 -0.88 1.69 0.31 -1.26 -5.04 118.33 113.01 3mop n VAL 43 Ca 0.18 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3mop n VAL 43 Cb 0.08 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 3mop n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mop n ALA 44 N -2.73 0.00 -3.70 3.52 0.00 -1.22 -5.10 120.51 111.29 3mop n ALA 44 Ca -0.24 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.83 3mop n ALA 44 Cb 0.83 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.17 3mop n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mop s ALA 45 N -2.61 3.20 0.36 0.00 0.00 -1.26 -4.88 121.76 116.58 3mop s ALA 45 Ca 0.00 -2.49 0.06 0.00 0.00 0.00 0.00 51.96 49.53 3mop s ALA 45 Cb 0.00 -2.50 0.06 0.00 0.00 0.00 0.00 23.12 20.67 3mop s ALA 45 CO 0.00 -1.80 0.47 -0.40 0.00 0.00 0.00 175.76 174.03 3mop n ASP 46 N 4.68 1.45 -0.03 0.00 3.85 -1.26 -4.93 116.55 120.31 3mop n ASP 46 Ca -0.04 -2.00 0.24 0.00 -0.71 0.00 0.00 54.79 52.27 3mop n ASP 46 Cb 0.41 -0.23 0.72 0.00 -1.35 0.00 0.00 41.12 40.67 3mop n ASP 46 CO 0.00 0.00 0.00 4.11 -1.01 0.00 0.00 177.20 180.30 3mop h TRP 47 N 0.15 0.00 -0.04 2.11 5.08 -0.12 0.11 115.95 123.24 3mop h TRP 47 Ca -0.18 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.66 3mop h TRP 47 Cb 0.79 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.96 3mop h TRP 47 CO 0.00 0.00 -0.51 1.79 -1.28 0.00 0.00 178.44 178.44 3mop h THR 48 N 0.00 1.42 -0.04 0.12 1.35 -1.93 0.69 112.91 114.51 3mop h THR 48 Ca 0.30 -1.94 0.01 0.00 -0.55 0.00 0.00 66.41 64.23 3mop h THR 48 Cb 1.40 2.44 -0.00 0.00 -1.73 0.00 0.00 68.15 70.27 3mop h THR 48 CO -0.00 0.57 0.07 0.00 -0.25 0.00 0.00 175.52 175.90 3mop h ALA 49 N 0.38 1.40 0.01 6.62 0.00 -1.36 0.31 119.26 126.62 3mop h ALA 49 Ca -0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3mop h ALA 49 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3mop h ALA 49 CO 0.10 -0.09 -0.01 1.25 0.00 0.00 0.00 179.25 180.51 3mop h LEU 50 N 0.00 -0.01 -0.96 0.00 5.85 -0.87 -3.25 115.31 116.07 3mop h LEU 50 Ca 0.02 0.00 0.34 0.00 0.84 0.00 0.00 57.88 59.08 3mop h LEU 50 Cb 0.16 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.08 3mop h LEU 50 CO -0.00 0.42 0.60 0.00 -0.34 0.00 0.00 178.44 179.13 3mop n ALA 51 N -2.68 0.96 0.18 1.25 0.00 0.24 0.29 120.51 120.75 3mop n ALA 51 Ca -0.00 0.66 0.10 0.00 0.00 0.00 0.00 53.44 54.21 3mop n ALA 51 Cb 0.01 -0.78 0.11 0.00 0.00 0.00 0.00 19.45 18.79 3mop n ALA 51 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3mop h GLU 52 N 0.00 0.00 -0.00 0.00 4.81 -1.07 -2.37 114.58 115.96 3mop h GLU 52 Ca 0.65 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.88 3mop h GLU 52 Cb 2.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.39 3mop h GLU 52 CO -0.39 0.07 -0.46 0.39 -0.73 0.00 0.00 179.01 177.89 3mop n GLU 53 N -3.03 0.03 -0.63 1.92 -0.58 0.85 -2.94 120.64 116.26 3mop n GLU 53 Ca 0.03 -0.02 0.07 0.00 -0.42 0.00 0.00 57.16 56.82 3mop n GLU 53 Cb 0.57 -1.50 0.32 0.00 -0.57 0.00 0.00 31.44 30.25 3mop n GLU 53 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3mop n MET 54 N -1.47 3.75 -3.74 3.49 2.81 -0.36 -4.95 117.12 116.64 3mop n MET 54 Ca 0.06 -2.49 -0.26 0.00 -1.81 0.00 0.00 57.70 53.21 3mop n MET 54 Cb 0.34 -1.96 0.05 0.00 -0.71 0.00 0.00 33.22 30.93 3mop n MET 54 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3mop n ASP 55 N 0.71 -4.37 -4.84 7.83 8.00 -1.15 -5.00 116.55 117.73 3mop n ASP 55 Ca 0.22 -0.70 -0.34 0.00 0.71 0.00 0.00 54.79 54.68 3mop n ASP 55 Cb 0.90 -4.38 -0.06 0.00 -0.02 0.00 0.00 41.12 37.56 3mop n ASP 55 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3mop s PHE 56 N -3.38 3.50 0.99 1.24 0.40 -0.91 -5.04 117.98 114.79 3mop s PHE 56 Ca 0.46 1.21 -0.15 0.00 -0.60 0.00 0.00 56.93 57.86 3mop s PHE 56 Cb -0.22 -2.51 0.19 0.00 0.51 0.00 0.00 43.02 40.99 3mop s PHE 56 CO 0.79 0.24 1.17 -2.00 0.70 0.00 0.00 175.22 176.12 3mop s GLU 57 N -2.48 0.48 0.01 0.44 2.12 -1.26 -4.70 118.70 113.31 3mop s GLU 57 Ca 0.47 0.05 -0.07 0.00 0.36 0.00 0.00 54.97 55.79 3mop s GLU 57 Cb -0.13 -1.78 -0.04 0.00 0.26 0.00 0.00 34.13 32.44 3mop s GLU 57 CO 0.19 -2.60 1.11 -0.92 -0.54 0.00 0.00 175.26 172.50 3mop h TYR 58 N -1.78 -0.24 -0.01 5.30 -0.00 -2.00 -2.94 116.97 115.29 3mop h TYR 58 Ca -0.48 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.25 3mop h TYR 58 Cb 1.30 0.08 -0.00 0.00 -0.00 0.00 0.00 36.73 38.11 3mop h TYR 58 CO -0.59 -0.14 0.07 -0.07 -0.00 0.00 0.00 178.16 177.42 3mop h LEU 59 N -0.25 0.00 -0.90 2.82 4.07 -1.99 0.55 115.31 119.62 3mop h LEU 59 Ca -0.02 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 3mop h LEU 59 Cb 0.19 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.90 3mop h LEU 59 CO 0.04 0.00 0.30 -0.08 -1.08 0.00 0.00 178.44 177.62 3mop h GLU 60 N 0.00 1.10 -0.01 1.13 4.81 -1.90 -2.34 114.58 117.38 3mop h GLU 60 Ca 0.01 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 3mop h GLU 60 Cb 0.14 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3mop h GLU 60 CO -0.00 0.89 -0.04 0.82 -0.73 0.00 0.00 179.01 179.95 3mop h ILE 61 N 1.08 1.51 -0.56 2.32 2.04 0.26 -2.60 117.51 121.55 3mop h ILE 61 Ca 0.25 -1.55 0.16 0.00 1.00 0.00 0.00 64.86 64.73 3mop h ILE 61 Cb 0.20 2.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 3mop h ILE 61 CO -0.02 0.41 0.72 0.03 0.00 0.00 0.00 178.15 179.29 3mop h ARG 62 N -0.58 0.00 0.08 2.37 2.47 -1.32 0.61 114.38 118.02 3mop h ARG 62 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3mop h ARG 62 Cb 0.69 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.01 3mop h ARG 62 CO 0.01 0.00 -0.04 0.37 0.56 0.00 0.00 179.97 180.87 3mop h GLN 63 N 0.00 -0.11 -0.90 0.04 5.75 -1.27 -3.28 115.11 115.34 3mop h GLN 63 Ca 0.27 0.01 0.24 0.00 -0.15 0.00 0.00 58.65 59.02 3mop h GLN 63 Cb 1.70 0.02 -0.14 0.00 1.07 0.00 0.00 27.48 30.14 3mop h GLN 63 CO -0.00 0.05 0.34 -0.07 -2.65 0.00 0.00 178.83 176.49 3mop h LEU 64 N -1.02 0.18 0.00 -2.39 3.38 -0.54 1.26 115.31 116.18 3mop h LEU 64 Ca -0.01 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3mop h LEU 64 Cb 0.21 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3mop h LEU 64 CO 0.02 -0.10 0.13 1.21 0.09 0.00 0.00 178.44 179.78 3mop n GLU 65 N -5.14 0.00 0.00 1.13 2.13 0.19 -3.07 120.64 115.88 3mop n GLU 65 Ca 0.23 0.13 0.00 0.00 0.66 0.00 0.00 57.16 58.18 3mop n GLU 65 Cb 0.72 -1.63 0.00 0.00 0.27 0.00 0.00 31.44 30.80 3mop n GLU 65 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3mop n THR 66 N -1.02 0.00 -1.49 6.31 -1.04 0.43 -4.85 114.28 112.62 3mop n THR 66 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 3mop n THR 66 Cb 0.13 -0.29 -0.10 0.00 -1.82 0.00 0.00 70.33 68.25 3mop n THR 66 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mop n GLN 67 N -0.01 0.49 -1.01 -2.82 3.00 -1.18 -4.81 117.38 111.04 3mop n GLN 67 Ca 0.00 0.04 -0.35 0.00 -0.01 0.00 0.00 57.00 56.68 3mop n GLN 67 Cb 0.00 -2.26 0.07 0.00 0.00 0.00 0.00 30.24 28.05 3mop n GLN 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3mop n ALA 68 N 11.99 -3.51 -3.10 -1.58 0.00 -1.26 -3.37 120.51 119.68 3mop n ALA 68 Ca 0.53 -0.51 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 3mop n ALA 68 Cb 0.22 -1.53 0.06 0.00 0.00 0.00 0.00 19.45 18.20 3mop n ALA 68 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3mop n ASP 69 N 1.03 -3.52 0.26 0.00 4.64 -1.26 -4.93 116.55 112.76 3mop n ASP 69 Ca 0.04 -0.39 0.14 0.00 -1.38 0.00 0.00 54.79 53.21 3mop n ASP 69 Cb 0.53 -3.57 0.64 0.00 -1.04 0.00 0.00 41.12 37.68 3mop n ASP 69 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3mop h PRO 70 N -1.55 0.00 0.09 -0.67 0.11 -1.83 -0.95 132.00 127.20 3mop h PRO 70 Ca -0.39 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.74 3mop h PRO 70 Cb 1.24 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 3mop h PRO 70 CO 0.36 0.10 -0.25 1.15 -0.21 0.00 0.00 178.00 179.14 3mop h THR 71 N 0.00 0.44 0.13 -1.15 2.02 -1.91 0.64 112.91 113.09 3mop h THR 71 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3mop h THR 71 Cb 0.54 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 3mop h THR 71 CO 0.01 0.00 -0.25 1.23 0.37 0.00 0.00 175.52 176.88 3mop h GLY 72 N -0.44 -1.10 0.88 2.16 0.00 -1.46 -0.68 103.07 102.42 3mop h GLY 72 Ca 0.04 0.52 0.06 0.00 0.00 0.00 0.00 47.33 47.96 3mop h GLY 72 CO -0.16 -0.35 0.50 -0.09 0.00 0.00 0.00 176.54 176.44 3mop h ARG 73 N -0.41 0.00 0.03 4.80 9.65 -1.31 0.95 114.38 128.09 3mop h ARG 73 Ca -0.01 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.74 3mop h ARG 73 Cb 0.39 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.98 3mop h ARG 73 CO -0.09 0.00 -0.51 1.25 2.80 0.00 0.00 179.97 183.42 3mop h LEU 74 N 0.00 0.39 -0.67 3.80 5.85 0.11 -2.51 115.31 122.27 3mop h LEU 74 Ca 0.11 -0.83 0.00 0.00 0.84 0.00 0.00 57.88 58.00 3mop h LEU 74 Cb 1.10 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3mop h LEU 74 CO -0.00 1.17 0.00 0.18 -0.34 0.00 0.00 178.44 179.45 3mop n LEU 75 N -4.31 0.46 -0.05 2.25 4.77 0.31 -1.90 117.00 118.53 3mop n LEU 75 Ca -0.11 0.64 -0.02 0.00 -0.03 0.00 0.00 56.01 56.50 3mop n LEU 75 Cb 0.65 -0.61 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 3mop n LEU 75 CO 0.44 -0.59 -0.11 0.44 -1.33 0.00 0.00 177.39 176.24 3mop h ASP 76 N 0.00 0.00 0.00 -1.43 3.45 -1.13 -1.59 116.42 115.72 3mop h ASP 76 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3mop h ASP 76 Cb 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 3mop h ASP 76 CO 0.00 0.56 0.00 0.00 -1.57 0.00 0.00 179.24 178.23 3mop n ALA 77 N -3.03 1.40 -0.00 3.45 0.00 -0.95 -2.06 120.51 119.32 3mop n ALA 77 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 3mop n ALA 77 Cb 0.09 -0.94 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 3mop n ALA 77 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3mop n TRP 78 N -0.92 0.00 -0.41 0.00 -0.00 -0.80 -4.80 117.44 110.52 3mop n TRP 78 Ca 0.00 0.00 0.34 0.00 -0.00 0.00 0.00 57.50 57.84 3mop n TRP 78 Cb 0.00 -0.04 0.57 0.00 -0.00 0.00 0.00 31.31 31.84 3mop n TRP 78 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 3mop n GLN 79 N -2.84 -0.02 -3.74 5.87 0.00 -0.60 -0.89 117.38 115.17 3mop n GLN 79 Ca -0.02 0.99 -0.36 0.00 -0.00 0.00 0.00 57.00 57.61 3mop n GLN 79 Cb 0.52 -2.00 -0.10 0.00 0.00 0.00 0.00 30.24 28.65 3mop n GLN 79 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3mop s GLY 80 N -3.96 2.40 0.30 1.69 0.00 -1.26 -4.40 107.32 102.09 3mop s GLY 80 Ca -0.06 -3.12 -0.06 0.00 0.00 0.00 0.00 44.72 41.48 3mop s GLY 80 CO 0.67 1.08 0.50 0.54 0.00 0.00 0.00 173.10 175.90 3mop n ARG 81 N 3.69 0.72 0.00 2.90 1.74 -0.06 -5.04 116.66 120.61 3mop n ARG 81 Ca 0.06 -2.01 0.00 0.00 -0.77 0.00 0.00 57.85 55.12 3mop n ARG 81 Cb 0.38 2.17 0.00 0.00 -1.02 0.00 0.00 32.46 34.00 3mop n ARG 81 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3mop n PRO 82 N -0.44 0.00 0.00 5.56 -0.04 -1.26 -3.64 135.00 135.17 3mop n PRO 82 Ca -0.03 0.42 0.14 0.00 -0.04 0.00 0.00 63.50 63.99 3mop n PRO 82 Cb 0.47 -1.24 0.54 0.00 -0.04 0.00 0.00 33.50 33.23 3mop n PRO 82 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mop n GLY 83 N -0.83 -1.04 3.55 0.55 0.00 -1.26 -4.91 105.19 101.25 3mop n GLY 83 Ca 0.00 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 3mop n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mop n ALA 84 N -1.09 1.00 -2.33 4.61 0.00 -1.24 -4.71 120.51 116.75 3mop n ALA 84 Ca 0.12 -0.68 -0.20 0.00 0.00 0.00 0.00 53.44 52.69 3mop n ALA 84 Cb 0.30 -3.03 -0.08 0.00 0.00 0.00 0.00 19.45 16.63 3mop n ALA 84 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3mop s SER 85 N 10.79 1.72 0.25 0.00 1.04 -1.26 -4.60 113.70 121.64 3mop s SER 85 Ca 1.02 -1.68 0.09 0.00 0.48 0.00 0.00 55.95 55.86 3mop s SER 85 Cb -0.34 0.51 0.29 0.00 0.10 0.00 0.00 66.02 66.58 3mop s SER 85 CO 0.32 -0.99 1.57 0.58 0.98 0.00 0.00 173.24 175.69 3mop h VAL 86 N 2.13 1.46 -0.56 5.02 2.07 -1.63 -2.38 116.25 122.36 3mop h VAL 86 Ca -0.29 -2.22 0.07 0.00 0.82 0.00 0.00 66.70 65.08 3mop h VAL 86 Cb 1.24 2.19 -0.06 0.00 -1.52 0.00 0.00 31.29 33.15 3mop h VAL 86 CO 0.44 0.64 0.25 1.23 0.02 0.00 0.00 177.57 180.15 3mop h GLY 87 N 1.89 0.79 0.72 2.17 0.00 -1.92 -1.81 103.07 104.92 3mop h GLY 87 Ca -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 3mop h GLY 87 CO 0.09 0.06 -0.17 -0.09 0.00 0.00 0.00 176.54 176.43 3mop h ARG 88 N 0.48 -0.46 -1.13 4.80 1.12 -1.82 -1.56 114.38 115.81 3mop h ARG 88 Ca 0.26 0.03 0.31 0.00 -1.11 0.00 0.00 59.98 59.48 3mop h ARG 88 Cb 0.24 0.10 -0.09 0.00 -0.01 0.00 0.00 29.97 30.21 3mop h ARG 88 CO -0.22 -0.16 0.75 1.25 -3.11 0.00 0.00 179.97 178.48 3mop h LEU 89 N -0.76 0.31 0.07 3.80 5.85 -1.20 0.71 115.31 124.08 3mop h LEU 89 Ca -0.05 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 3mop h LEU 89 Cb 0.51 0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.58 3mop h LEU 89 CO 0.08 0.02 -0.41 -0.07 -0.34 0.00 0.00 178.44 177.72 3mop h LEU 90 N 0.25 0.22 0.00 2.25 4.07 -1.21 -2.36 115.31 118.52 3mop h LEU 90 Ca 0.63 -0.97 0.00 0.00 0.08 0.00 0.00 57.88 57.62 3mop h LEU 90 Cb 1.88 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 43.54 3mop h LEU 90 CO -0.25 1.19 0.00 -1.84 -1.08 0.00 0.00 178.44 176.47 3mop n GLU 91 N -4.38 0.51 0.02 1.13 0.28 -0.40 -1.53 120.64 116.28 3mop n GLU 91 Ca -0.12 0.04 -0.22 0.00 -0.16 0.00 0.00 57.16 56.70 3mop n GLU 91 Cb 0.64 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.87 3mop n GLU 91 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 3mop h LEU 92 N 0.00 0.45 -1.54 -1.84 3.38 0.43 -3.02 115.31 113.17 3mop h LEU 92 Ca 0.00 -0.94 -0.04 0.00 0.09 0.00 0.00 57.88 56.98 3mop h LEU 92 Cb 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3mop h LEU 92 CO 0.00 1.84 -0.19 -0.07 0.09 0.00 0.00 178.44 180.11 3mop h LEU 93 N 0.08 0.05 -0.28 1.67 3.38 -1.10 -2.37 115.31 116.73 3mop h LEU 93 Ca -0.41 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.37 3mop h LEU 93 Cb 2.05 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.79 3mop h LEU 93 CO 0.11 0.24 -0.54 0.74 0.09 0.00 0.00 178.44 179.08 3mop h THR 94 N 0.05 1.28 0.78 0.22 2.02 -1.37 -0.13 112.91 115.75 3mop h THR 94 Ca 0.01 -1.73 -0.04 0.00 0.77 0.00 0.00 66.41 65.42 3mop h THR 94 Cb 0.37 1.66 0.01 0.00 -1.74 0.00 0.00 68.15 68.44 3mop h THR 94 CO 0.03 0.56 -0.37 0.50 0.37 0.00 0.00 175.52 176.60 3mop h LYS 95 N 0.64 -1.01 -0.08 6.66 3.64 -1.37 -2.75 116.57 122.30 3mop h LYS 95 Ca 0.01 0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3mop h LYS 95 Cb 1.15 0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 33.20 3mop h LYS 95 CO 0.12 -0.66 0.30 -0.07 -2.27 0.00 0.00 179.45 176.87 3mop h LEU 96 N -1.21 0.00 0.43 5.20 3.38 -1.49 -3.45 115.31 118.17 3mop h LEU 96 Ca -0.11 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 3mop h LEU 96 Cb 0.81 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 3mop h LEU 96 CO 0.18 0.00 -0.13 0.61 0.09 0.00 0.00 178.44 179.18 3mop n GLY 97 N -1.26 0.74 2.43 0.83 0.00 -0.43 -4.89 105.19 102.61 3mop n GLY 97 Ca -0.00 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 3mop n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mop n ARG 98 N -2.59 2.72 0.30 1.61 5.12 -0.19 -4.45 116.66 119.18 3mop n ARG 98 Ca -0.07 -1.70 0.20 0.00 -1.93 0.00 0.00 57.85 54.36 3mop n ARG 98 Cb 0.28 -2.54 1.09 0.00 -1.16 0.00 0.00 32.46 30.13 3mop n ARG 98 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3mop h ASP 99 N 5.48 0.00 -0.25 0.55 3.32 -1.91 -0.49 116.42 123.12 3mop h ASP 99 Ca 0.62 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.69 3mop h ASP 99 Cb 0.32 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 3mop h ASP 99 CO 1.47 0.00 -0.15 -0.67 -1.72 0.00 0.00 179.24 178.17 3mop n ASP 100 N -2.91 -0.27 0.16 6.45 4.64 -1.26 -2.00 116.55 121.36 3mop n ASP 100 Ca -0.03 0.84 0.07 0.00 -1.38 0.00 0.00 54.79 54.29 3mop n ASP 100 Cb 0.07 -0.25 0.07 0.00 -1.04 0.00 0.00 41.12 39.96 3mop n ASP 100 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 3mop h VAL 101 N 0.00 0.44 0.00 5.18 -1.51 -1.47 -3.24 116.25 115.65 3mop h VAL 101 Ca 0.04 -1.64 -0.04 0.00 -1.23 0.00 0.00 66.70 63.83 3mop h VAL 101 Cb 0.10 2.16 -0.01 0.00 -2.13 0.00 0.00 31.29 31.42 3mop h VAL 101 CO -0.24 0.25 -0.18 -0.07 -1.23 0.00 0.00 177.57 176.10 3mop h LEU 102 N 0.00 0.00 -3.84 4.19 3.38 -1.41 -0.80 115.31 116.83 3mop h LEU 102 Ca -0.02 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.43 3mop h LEU 102 Cb 1.23 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.70 3mop h LEU 102 CO 0.03 0.18 0.67 0.18 0.09 0.00 0.00 178.44 179.59 3mop n LEU 103 N -3.38 6.79 0.00 1.67 4.32 -0.85 -3.37 117.00 122.18 3mop n LEU 103 Ca -0.00 -3.66 0.00 0.00 -0.02 0.00 0.00 56.01 52.33 3mop n LEU 103 Cb 0.39 -0.87 0.00 0.00 -1.62 0.00 0.00 43.42 41.31 3mop n LEU 103 CO 0.32 1.15 0.00 -0.62 -1.22 0.00 0.00 177.39 177.02 3mop n GLU 104 N -0.88 0.00 0.00 3.23 -0.58 -1.12 -4.89 120.64 116.39 3mop n GLU 104 Ca 0.55 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 57.33 3mop n GLU 104 Cb 1.23 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 32.09 3mop n GLU 104 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3mop n LEU 105 N -0.89 0.81 -0.32 -4.62 4.77 -0.32 -4.64 117.00 111.79 3mop n LEU 105 Ca 0.00 -0.69 0.12 0.00 -0.03 0.00 0.00 56.01 55.41 3mop n LEU 105 Cb 0.00 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.39 3mop n LEU 105 CO 0.00 0.17 1.10 1.23 -1.33 0.00 0.00 177.39 178.56 3mop h GLY 106 N 1.52 1.60 0.55 -0.72 0.00 -1.69 0.12 103.07 104.45 3mop h GLY 106 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3mop h GLY 106 CO 0.00 -0.18 -0.20 -0.56 0.00 0.00 0.00 176.54 175.60 3mop h PRO 107 N 0.54 -0.53 -0.01 4.80 0.13 -1.86 -2.98 132.00 132.08 3mop h PRO 107 Ca 0.55 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.72 3mop h PRO 107 Cb 0.97 0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3mop h PRO 107 CO -0.46 -0.24 0.09 0.77 -0.23 0.00 0.00 178.00 177.93 3mop h SER 108 N -1.01 0.00 0.09 1.44 0.02 -1.76 -2.66 113.55 109.66 3mop h SER 108 Ca -0.06 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.52 3mop h SER 108 Cb 0.54 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 3mop h SER 108 CO 0.09 0.00 -2.15 -0.38 -1.14 0.00 0.00 176.83 173.25 3mop n ILE 109 N -3.16 1.68 1.13 3.27 5.41 0.41 -1.68 119.36 126.42 3mop n ILE 109 Ca -0.02 -0.63 0.10 0.00 1.00 0.00 0.00 62.75 63.19 3mop n ILE 109 Cb 0.16 -1.61 0.57 0.00 -0.71 0.00 0.00 39.64 38.04 3mop n ILE 109 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3mop n GLU 110 N -3.40 0.47 -0.06 0.38 4.07 -1.13 -1.06 120.64 119.91 3mop n GLU 110 Ca -0.36 0.05 -0.11 0.00 -0.06 0.00 0.00 57.16 56.67 3mop n GLU 110 Cb 1.03 -1.50 -0.15 0.00 -0.06 0.00 0.00 31.44 30.76 3mop n GLU 110 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3mop n GLU 111 N -1.15 0.67 0.03 5.31 2.13 -1.01 -4.19 120.64 122.43 3mop n GLU 111 Ca 0.13 0.15 0.13 0.00 0.66 0.00 0.00 57.16 58.23 3mop n GLU 111 Cb 0.12 -1.64 0.50 0.00 0.27 0.00 0.00 31.44 30.69 3mop n GLU 111 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3mop n ASP 112 N -2.98 0.27 0.13 4.31 10.43 -0.51 -2.70 116.55 125.50 3mop n ASP 112 Ca -0.28 0.40 0.02 0.00 2.57 0.00 0.00 54.79 57.49 3mop n ASP 112 Cb 1.09 -0.43 0.03 0.00 1.84 0.00 0.00 41.12 43.65 3mop n ASP 112 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3mop n GLN 114 N -3.25 4.31 -0.01 0.00 1.13 -1.10 -0.52 117.38 117.95 3mop n GLN 114 Ca 0.02 -3.04 0.08 0.00 -1.94 0.00 0.00 57.00 52.12 3mop n GLN 114 Cb 0.74 -2.08 -0.13 0.00 0.11 0.00 0.00 30.24 28.89 3mop n GLN 114 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 3mop n LYS 115 N 0.88 0.66 -0.05 -1.09 2.85 -1.20 -3.60 118.16 116.62 3mop n LYS 115 Ca 0.27 -0.13 -0.03 0.00 -1.05 0.00 0.00 58.31 57.37 3mop n LYS 115 Cb 1.05 -1.38 -0.11 0.00 -0.65 0.00 0.00 35.03 33.94 3mop n LYS 115 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 3mop n TYR 116 N -1.99 0.00 -0.08 5.58 9.36 -1.20 -4.28 117.16 124.55 3mop n TYR 116 Ca -0.02 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.07 3mop n TYR 116 Cb 0.41 -0.56 -0.07 0.00 -0.63 0.00 0.00 39.34 38.49 3mop n TYR 116 CO 0.00 0.00 0.00 0.97 0.22 0.00 0.00 176.86 178.05 3mop h ILE 117 N 0.00 0.64 0.00 2.97 6.09 -1.03 -3.24 117.51 122.95 3mop h ILE 117 Ca -0.26 -1.70 0.00 0.00 -1.37 0.00 0.00 64.86 61.53 3mop h ILE 117 Cb 1.48 1.43 0.00 0.00 0.47 0.00 0.00 36.82 40.20 3mop h ILE 117 CO 0.01 0.22 0.00 0.00 -3.07 0.00 0.00 178.15 175.31 3mop n ALA 118 N -3.32 2.25 -2.29 0.18 0.00 -1.24 -1.87 120.51 114.22 3mop n ALA 118 Ca -0.18 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.26 3mop n ALA 118 Cb 0.45 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.89 3mop n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mop n ALA 119 N -0.04 2.80 -2.71 0.00 0.00 -1.26 -4.89 120.51 114.41 3mop n ALA 119 Ca 0.00 -1.64 -0.06 0.00 0.00 0.00 0.00 53.44 51.74 3mop n ALA 119 Cb 0.16 -0.56 0.05 0.00 0.00 0.00 0.00 19.45 19.09 3mop n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mop n ALA 120 N 0.29 2.95 -0.51 0.00 0.00 -0.78 -4.43 120.51 118.02 3mop n ALA 120 Ca -0.06 -2.74 0.00 0.00 0.00 0.00 0.00 53.44 50.64 3mop n ALA 120 Cb 0.95 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3mop n ALA 120 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3mop n LEU 121 N -0.32 0.00 0.00 0.00 4.77 -1.26 -4.96 117.00 115.22 3mop n LEU 121 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3mop n LEU 121 Cb 0.82 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 3mop n LEU 121 CO 0.16 0.01 0.00 -0.62 -1.33 0.00 0.00 177.39 175.61 3mop n GLU 122 N 0.00 0.00 0.00 3.23 1.02 -1.26 -5.22 120.64 118.41 3mop n GLU 122 Ca 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.23 3mop n GLU 122 Cb 0.03 -0.06 0.56 0.00 -0.02 0.00 0.00 31.44 31.95 3mop n GLU 122 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03