#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mop s TYR 4 N 0.00 3.13 0.12 0.00 1.51 -1.26 -1.51 117.35 119.35 3mop s TYR 4 Ca 0.00 -0.05 -0.31 0.00 -1.01 0.00 0.00 57.07 55.70 3mop s TYR 4 Cb 0.00 -1.48 -0.09 0.00 -0.11 0.00 0.00 41.96 40.29 3mop s TYR 4 CO 0.00 0.52 1.57 0.82 -1.11 0.00 0.00 175.55 177.35 3mop h ILE 5 N 1.89 0.08 0.00 2.71 2.04 -1.35 -0.19 117.51 122.70 3mop h ILE 5 Ca -0.48 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3mop h ILE 5 Cb 1.21 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3mop h ILE 5 CO 0.62 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.77 3mop n TYR 6 N -5.44 0.00 -0.29 1.37 0.18 -1.26 -1.03 117.16 110.68 3mop n TYR 6 Ca -0.05 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.80 3mop n TYR 6 Cb 0.37 -0.33 0.30 0.00 -0.38 0.00 0.00 39.34 39.31 3mop n TYR 6 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 3mop n GLN 7 N -1.33 3.48 -2.64 -3.48 6.02 -0.08 -4.92 117.38 114.43 3mop n GLN 7 Ca 0.01 -2.40 -0.42 0.00 -0.01 0.00 0.00 57.00 54.18 3mop n GLN 7 Cb 0.02 -1.87 -0.03 0.00 1.02 0.00 0.00 30.24 29.38 3mop n GLN 7 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3mop s LEU 8 N -1.75 4.42 0.31 1.08 2.01 -0.20 -4.66 118.68 119.89 3mop s LEU 8 Ca 0.43 1.81 -0.29 0.00 0.01 0.00 0.00 54.13 56.09 3mop s LEU 8 Cb 0.29 -3.58 -0.12 0.00 0.01 0.00 0.00 46.19 42.79 3mop s LEU 8 CO 0.19 -0.25 1.42 -2.65 1.01 0.00 0.00 176.35 176.07 3mop n PRO 9 N 3.45 2.32 0.32 1.29 -0.02 -1.26 -4.78 135.00 136.32 3mop n PRO 9 Ca 0.05 0.82 0.20 0.00 -2.02 0.00 0.00 63.50 62.55 3mop n PRO 9 Cb 0.49 -2.49 1.09 0.00 -0.02 0.00 0.00 33.50 32.57 3mop n PRO 9 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3mop h SER 10 N 3.54 0.00 0.33 2.55 0.02 -1.99 -1.52 113.55 116.49 3mop h SER 10 Ca -0.47 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.16 3mop h SER 10 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 3mop h SER 10 CO 0.70 0.01 -1.63 4.11 -1.14 0.00 0.00 176.83 178.87 3mop h TRP 11 N 0.00 0.59 -0.94 3.45 0.09 -1.97 -1.34 115.95 115.83 3mop h TRP 11 Ca -0.00 -0.43 0.11 0.00 0.09 0.00 0.00 58.89 58.66 3mop h TRP 11 Cb 0.03 -0.02 -0.08 0.00 0.08 0.00 0.00 29.16 29.17 3mop h TRP 11 CO 0.00 1.52 0.57 0.28 0.09 0.00 0.00 178.44 180.89 3mop h VAL 12 N 0.09 0.90 0.00 0.12 2.07 -1.67 0.62 116.25 118.38 3mop h VAL 12 Ca -0.29 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 66.79 3mop h VAL 12 Cb 2.06 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3mop h VAL 12 CO 0.17 0.17 -0.63 0.25 0.02 0.00 0.00 177.57 177.55 3mop h LEU 13 N 0.91 0.00 0.77 2.57 6.46 -1.49 -2.60 115.31 121.93 3mop h LEU 13 Ca 0.46 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 58.19 3mop h LEU 13 Cb 0.46 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.40 3mop h LEU 13 CO -0.27 0.63 -0.37 -0.78 -0.62 0.00 0.00 178.44 177.04 3mop h ASP 14 N 0.00 -0.87 0.04 1.25 3.58 0.38 0.17 116.42 120.97 3mop h ASP 14 Ca -0.01 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 3mop h ASP 14 Cb 1.37 0.23 -0.00 0.00 1.72 0.00 0.00 39.33 42.64 3mop h ASP 14 CO 0.08 -0.62 -0.01 0.44 -2.88 0.00 0.00 179.24 176.25 3mop h ASP 15 N -1.03 0.00 1.13 2.28 5.19 0.03 0.00 116.42 124.03 3mop h ASP 15 Ca -0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 3mop h ASP 15 Cb 0.79 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.30 3mop h ASP 15 CO 0.17 0.01 -0.68 0.25 -3.12 0.00 0.00 179.24 175.87 3mop h LEU 16 N 0.00 0.00 -2.26 1.55 6.46 -1.33 -3.15 115.31 116.57 3mop h LEU 16 Ca -0.00 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 3mop h LEU 16 Cb 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 3mop h LEU 16 CO 0.00 0.04 0.00 0.00 -0.62 0.00 0.00 178.44 177.86 3mop h ARG 18 N 3.65 0.34 0.00 0.00 2.47 -1.28 -3.35 114.38 116.20 3mop h ARG 18 Ca 0.00 -0.58 0.00 0.00 -1.26 0.00 0.00 59.98 58.14 3mop h ARG 18 Cb 0.83 0.22 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 3mop h ARG 18 CO 0.00 1.28 0.00 0.09 0.56 0.00 0.00 179.97 181.90 3mop n ASN 19 N -3.62 0.00 -0.08 7.04 3.02 -1.23 -3.63 115.26 116.77 3mop n ASN 19 Ca -0.27 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.33 3mop n ASN 19 Cb 1.04 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 40.31 3mop n ASN 19 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3mop n MET 20 N 0.00 -0.02 0.00 3.52 2.81 -1.24 -2.12 117.12 120.07 3mop n MET 20 Ca 0.00 0.35 0.00 0.00 -1.81 0.00 0.00 57.70 56.24 3mop n MET 20 Cb 0.00 -0.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.93 3mop n MET 20 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3mop n ASP 21 N -3.88 0.00 -4.57 7.83 4.64 -1.26 -3.62 116.55 115.69 3mop n ASP 21 Ca 0.07 0.00 -0.37 0.00 -1.38 0.00 0.00 54.79 53.11 3mop n ASP 21 Cb 0.23 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.28 3mop n ASP 21 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3mop s ALA 22 N -2.68 2.57 -0.49 -1.67 0.00 -0.90 -4.74 121.76 113.84 3mop s ALA 22 Ca 0.00 -2.33 0.05 0.00 0.00 0.00 0.00 51.96 49.68 3mop s ALA 22 Cb 0.00 -4.60 0.19 0.00 0.00 0.00 0.00 23.12 18.71 3mop s ALA 22 CO 0.00 -4.01 0.78 -1.17 0.00 0.00 0.00 175.76 171.35 3mop s LEU 23 N 6.71 -1.29 -0.12 0.00 0.20 -1.24 -4.76 118.68 118.18 3mop s LEU 23 Ca 0.57 -1.48 -0.08 0.00 0.69 0.00 0.00 54.13 53.82 3mop s LEU 23 Cb 0.00 1.69 0.03 0.00 -0.43 0.00 0.00 46.19 47.48 3mop s LEU 23 CO 0.02 -0.05 0.16 -0.24 -0.29 0.00 0.00 176.35 175.95 3mop n SER 24 N 2.99 -2.89 0.16 3.68 2.88 -1.26 -2.92 113.62 116.26 3mop n SER 24 Ca 0.17 1.29 0.08 0.00 -1.33 0.00 0.00 58.87 59.07 3mop n SER 24 Cb 0.57 -4.20 0.12 0.00 -0.75 0.00 0.00 64.21 59.96 3mop n SER 24 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3mop n GLU 25 N 1.96 0.02 -0.13 -1.46 2.13 -1.26 -0.17 120.64 121.73 3mop n GLU 25 Ca -0.28 0.93 -0.27 0.00 0.66 0.00 0.00 57.16 58.20 3mop n GLU 25 Cb 0.43 -2.44 -0.11 0.00 0.27 0.00 0.00 31.44 29.59 3mop n GLU 25 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 3mop n TRP 26 N -2.62 0.25 0.29 4.31 7.02 -1.26 -3.31 117.44 122.12 3mop n TRP 26 Ca 0.07 0.10 0.16 0.00 -1.02 0.00 0.00 57.50 56.81 3mop n TRP 26 Cb 1.10 -1.03 0.89 0.00 -2.42 0.00 0.00 31.31 29.86 3mop n TRP 26 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3mop h ASP 27 N -0.93 0.00 0.00 -0.99 3.45 -0.74 -2.45 116.42 114.76 3mop h ASP 27 Ca -0.62 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 56.84 3mop h ASP 27 Cb 1.57 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.34 3mop h ASP 27 CO -0.36 0.05 -0.13 -0.25 -1.57 0.00 0.00 179.24 176.98 3mop h TRP 28 N 0.00 0.00 -0.87 4.55 7.01 -1.13 -3.37 115.95 122.14 3mop h TRP 28 Ca -0.00 0.00 0.25 0.00 2.11 0.00 0.00 58.89 61.25 3mop h TRP 28 Cb 0.15 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.18 3mop h TRP 28 CO 0.00 0.13 0.72 1.98 -2.79 0.00 0.00 178.44 178.48 3mop h MET 29 N -1.00 0.00 -0.00 2.65 4.05 -1.46 0.97 114.93 120.14 3mop h MET 29 Ca -0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3mop h MET 29 Cb 0.23 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 3mop h MET 29 CO -0.01 0.00 -0.49 -1.91 0.23 0.00 0.00 176.91 174.74 3mop n GLU 30 N -3.97 0.34 0.02 0.39 4.07 -0.96 -1.82 120.64 118.72 3mop n GLU 30 Ca 0.18 -0.22 -0.19 0.00 -0.06 0.00 0.00 57.16 56.87 3mop n GLU 30 Cb 1.02 -1.50 -0.14 0.00 -0.06 0.00 0.00 31.44 30.76 3mop n GLU 30 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 3mop h PHE 31 N 0.54 0.42 0.70 4.31 3.57 0.81 -3.20 116.94 124.09 3mop h PHE 31 Ca 0.00 -0.31 -0.03 0.00 3.53 0.00 0.00 57.97 61.16 3mop h PHE 31 Cb 0.52 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 39.25 3mop h PHE 31 CO 0.00 1.28 -0.34 0.00 -2.23 0.00 0.00 178.31 177.02 3mop h ALA 32 N 0.04 -0.94 0.00 2.41 0.00 -1.41 -1.90 119.26 117.46 3mop h ALA 32 Ca -0.14 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3mop h ALA 32 Cb 1.53 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.68 3mop h ALA 32 CO 0.11 -1.01 0.21 1.03 0.00 0.00 0.00 179.25 179.59 3mop h SER 33 N -0.98 0.00 -0.20 0.00 0.87 -1.53 0.35 113.55 112.05 3mop h SER 33 Ca -0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 3mop h SER 33 Cb 0.73 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 3mop h SER 33 CO 0.16 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.46 3mop n TYR 34 N -2.60 0.25 0.42 2.24 9.36 -0.74 -4.28 117.16 121.80 3mop n TYR 34 Ca -0.02 -0.12 0.01 0.00 3.32 0.00 0.00 57.90 61.09 3mop n TYR 34 Cb 0.26 0.00 0.12 0.00 -0.63 0.00 0.00 39.34 39.08 3mop n TYR 34 CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 3mop n VAL 35 N 0.96 0.90 -1.08 2.97 3.14 0.12 -4.81 118.33 120.52 3mop n VAL 35 Ca 0.17 -0.43 -0.03 0.00 -2.96 0.00 0.00 64.34 61.09 3mop n VAL 35 Cb 0.49 -0.47 -0.01 0.00 -1.06 0.00 0.00 33.84 32.80 3mop n VAL 35 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 3mop n ILE 36 N 0.17 0.00 -0.28 1.55 2.08 -1.26 -5.02 119.36 116.60 3mop n ILE 36 Ca 0.09 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.40 3mop n ILE 36 Cb 0.56 -0.60 0.00 0.00 -0.75 0.00 0.00 39.64 38.85 3mop n ILE 36 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 3mop n THR 37 N -2.71 0.00 -3.89 1.39 -2.24 -1.26 -5.13 114.28 100.44 3mop n THR 37 Ca -0.03 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 3mop n THR 37 Cb 0.20 -1.93 -0.06 0.00 -2.10 0.00 0.00 70.33 66.43 3mop n THR 37 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3mop s ASP 38 N -1.00 -0.04 0.14 3.42 1.47 -1.26 -5.00 116.67 114.40 3mop s ASP 38 Ca 0.00 -0.74 -0.26 0.00 1.18 0.00 0.00 52.55 52.73 3mop s ASP 38 Cb 0.00 0.47 -0.02 0.00 -0.34 0.00 0.00 42.92 43.03 3mop s ASP 38 CO 0.00 -0.92 1.61 0.25 0.68 0.00 0.00 175.17 176.79 3mop h LEU 39 N 2.47 -0.96 -0.31 2.11 5.85 -2.00 -2.84 115.31 119.63 3mop h LEU 39 Ca -0.31 0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.59 3mop h LEU 39 Cb 1.24 0.41 -0.04 0.00 0.37 0.00 0.00 40.66 42.64 3mop h LEU 39 CO 0.46 -0.35 0.08 0.71 -0.34 0.00 0.00 178.44 179.00 3mop h THR 40 N -0.39 0.88 0.32 1.05 1.35 -2.01 -3.16 112.91 110.95 3mop h THR 40 Ca 0.10 -0.07 -0.02 0.00 -0.55 0.00 0.00 66.41 65.87 3mop h THR 40 Cb 0.54 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3mop h THR 40 CO -0.35 0.04 -0.15 1.56 -0.25 0.00 0.00 175.52 176.37 3mop h GLN 41 N 0.20 -0.42 0.00 4.72 1.08 -1.93 -2.20 115.11 116.55 3mop h GLN 41 Ca 0.14 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 3mop h GLN 41 Cb 0.14 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 3mop h GLN 41 CO -0.17 -0.25 0.00 1.28 -0.95 0.00 0.00 178.83 178.74 3mop n LEU 42 N -5.26 0.57 -0.13 1.46 7.99 -1.12 -1.04 117.00 119.47 3mop n LEU 42 Ca -0.10 0.75 -0.10 0.00 -0.01 0.00 0.00 56.01 56.55 3mop n LEU 42 Cb 0.20 -0.81 -0.01 0.00 -0.11 0.00 0.00 43.42 42.69 3mop n LEU 42 CO 0.35 -0.91 0.87 0.03 -1.51 0.00 0.00 177.39 176.22 3mop h ARG 43 N 0.00 0.58 0.00 3.23 2.47 -1.36 -1.20 114.38 118.10 3mop h ARG 43 Ca 0.00 -0.13 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 3mop h ARG 43 Cb 0.03 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 3mop h ARG 43 CO 0.00 0.60 0.00 1.17 0.56 0.00 0.00 179.97 182.30 3mop n LYS 44 N -4.62 0.00 0.00 0.04 4.81 -0.21 -2.49 118.16 115.69 3mop n LYS 44 Ca -0.01 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 3mop n LYS 44 Cb 0.18 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.73 3mop n LYS 44 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 3mop n ILE 45 N -2.02 1.32 0.01 3.15 -6.64 -1.07 0.59 119.36 114.70 3mop n ILE 45 Ca 0.00 0.39 -0.22 0.00 -1.77 0.00 0.00 62.75 61.16 3mop n ILE 45 Cb 0.00 -1.39 -0.14 0.00 -1.44 0.00 0.00 39.64 36.67 3mop n ILE 45 CO 0.00 0.00 0.00 0.50 -1.77 0.00 0.00 176.55 175.28 3mop h LYS 46 N 0.00 0.28 -0.97 6.28 3.64 -1.18 -3.37 116.57 121.26 3mop h LYS 46 Ca 0.00 -0.48 0.28 0.00 -1.27 0.00 0.00 60.65 59.19 3mop h LYS 46 Cb 0.13 0.18 -0.14 0.00 -0.41 0.00 0.00 32.23 31.98 3mop h LYS 46 CO 0.00 1.23 0.49 0.77 -2.27 0.00 0.00 179.45 179.67 3mop h SER 47 N -0.02 0.43 0.00 4.20 0.02 0.47 -0.38 113.55 118.27 3mop h SER 47 Ca -0.39 0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3mop h SER 47 Cb 1.98 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 64.67 3mop h SER 47 CO 0.09 -0.09 -0.00 0.24 -1.14 0.00 0.00 176.83 175.93 3mop h MET 48 N 0.35 0.00 -0.67 3.45 2.86 -1.70 -2.89 114.93 116.34 3mop h MET 48 Ca 0.67 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 58.28 3mop h MET 48 Cb 1.44 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.07 3mop h MET 48 CO -0.59 0.00 0.30 1.49 1.06 0.00 0.00 176.91 179.17 3mop h GLU 49 N 0.00 0.98 -1.66 1.72 4.57 -1.29 -2.95 114.58 115.95 3mop h GLU 49 Ca -0.00 -0.16 -0.24 0.00 -1.18 0.00 0.00 59.36 57.78 3mop h GLU 49 Cb 0.00 -0.17 -0.10 0.00 -0.16 0.00 0.00 28.75 28.32 3mop h GLU 49 CO 0.00 0.80 0.30 0.91 -1.18 0.00 0.00 179.01 179.84 3mop n TRP 50 N -4.43 1.13 -4.23 0.92 7.02 -1.09 -4.57 117.44 112.18 3mop n TRP 50 Ca 0.05 -1.71 -0.18 0.00 -1.02 0.00 0.00 57.50 54.63 3mop n TRP 50 Cb 0.15 -0.86 -0.13 0.00 -2.42 0.00 0.00 31.31 28.06 3mop n TRP 50 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 3mop s VAL 51 N -1.67 1.02 -0.11 -0.99 0.11 -1.11 -5.03 120.40 112.62 3mop s VAL 51 Ca 0.24 -1.12 -0.02 0.00 -2.93 0.00 0.00 61.98 58.15 3mop s VAL 51 Cb 0.18 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 3mop s VAL 51 CO -0.01 -0.14 0.27 0.00 -3.33 0.00 0.00 175.10 171.89 3mop n GLN 52 N 1.61 0.00 -0.75 1.54 1.13 -1.26 -3.08 117.38 116.57 3mop n GLN 52 Ca -0.20 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 54.86 3mop n GLN 52 Cb 0.55 -0.14 0.00 0.00 0.11 0.00 0.00 30.24 30.76 3mop n GLN 52 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3mop n GLY 53 N 0.66 0.00 2.76 1.08 0.00 -1.26 -4.95 105.19 103.48 3mop n GLY 53 Ca 0.07 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 3mop n GLY 53 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mop s VAL 54 N -0.04 0.63 -0.49 1.61 -7.23 -1.18 -5.08 120.40 108.63 3mop s VAL 54 Ca 0.00 -0.61 -0.33 0.00 -1.81 0.00 0.00 61.98 59.23 3mop s VAL 54 Cb -0.00 -1.10 -0.13 0.00 0.56 0.00 0.00 36.38 35.71 3mop s VAL 54 CO 0.01 -0.18 2.31 -1.20 -0.31 0.00 0.00 175.10 175.73 3mop n SER 55 N 5.01 1.81 0.14 4.85 7.64 -1.26 -4.59 113.62 127.23 3mop n SER 55 Ca -0.09 0.22 0.19 0.00 1.01 0.00 0.00 58.87 60.19 3mop n SER 55 Cb 0.47 -1.25 0.78 0.00 -1.01 0.00 0.00 64.21 63.20 3mop n SER 55 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3mop h ILE 56 N 7.35 0.44 0.05 0.44 2.04 -1.90 0.15 117.51 126.08 3mop h ILE 56 Ca -0.22 0.00 -0.28 0.00 1.00 0.00 0.00 64.86 65.36 3mop h ILE 56 Cb 1.31 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 3mop h ILE 56 CO 1.11 0.00 -1.44 0.71 0.00 0.00 0.00 178.15 178.53 3mop h THR 57 N 0.00 1.21 -0.19 -0.27 1.35 -1.90 -1.38 112.91 111.73 3mop h THR 57 Ca 0.14 -2.94 0.03 0.00 -0.55 0.00 0.00 66.41 63.10 3mop h THR 57 Cb 0.78 2.68 -0.06 0.00 -1.73 0.00 0.00 68.15 69.82 3mop h THR 57 CO -0.00 0.77 -0.49 -0.09 -0.25 0.00 0.00 175.52 175.46 3mop h ARG 58 N 0.03 -0.45 -0.46 4.72 1.12 -1.22 1.02 114.38 119.14 3mop h ARG 58 Ca -0.19 0.03 -0.05 0.00 -1.11 0.00 0.00 59.98 58.66 3mop h ARG 58 Cb 1.94 0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 31.98 3mop h ARG 58 CO 0.13 -0.30 0.08 0.93 -3.11 0.00 0.00 179.97 177.70 3mop h GLU 59 N -0.47 0.71 -0.23 0.20 3.07 -0.91 0.28 114.58 117.22 3mop h GLU 59 Ca 0.04 -0.14 -0.17 0.00 -0.50 0.00 0.00 59.36 58.58 3mop h GLU 59 Cb 0.58 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.38 3mop h GLU 59 CO -0.43 0.66 -0.56 1.25 -1.40 0.00 0.00 179.01 178.54 3mop h LEU 60 N 0.68 0.79 0.13 1.33 5.85 -0.85 -2.30 115.31 120.94 3mop h LEU 60 Ca 0.15 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 3mop h LEU 60 Cb 0.30 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3mop h LEU 60 CO 0.00 1.18 -0.06 -0.07 -0.34 0.00 0.00 178.44 179.15 3mop h LEU 61 N 0.54 -0.15 -1.20 2.25 3.38 0.16 -2.08 115.31 118.22 3mop h LEU 61 Ca 0.01 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.62 3mop h LEU 61 Cb 1.13 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 3mop h LEU 61 CO 0.11 0.32 0.52 -0.25 0.09 0.00 0.00 178.44 179.24 3mop h TRP 62 N -0.67 1.02 0.00 1.13 7.01 -0.57 0.16 115.95 124.04 3mop h TRP 62 Ca -0.02 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.97 3mop h TRP 62 Cb 0.50 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.22 3mop h TRP 62 CO 0.07 0.65 -0.18 2.35 -2.79 0.00 0.00 178.44 178.54 3mop h TRP 63 N 1.09 0.00 0.00 2.65 2.91 -1.43 0.29 115.95 121.46 3mop h TRP 63 Ca 0.29 0.00 -0.13 0.00 1.13 0.00 0.00 58.89 60.18 3mop h TRP 63 Cb -0.11 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.52 3mop h TRP 63 CO 0.00 0.18 -0.63 2.35 -1.03 0.00 0.00 178.44 179.31 3mop h TRP 64 N 0.00 0.00 0.58 2.65 7.01 -0.50 -3.25 115.95 122.44 3mop h TRP 64 Ca -0.00 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 3mop h TRP 64 Cb 0.45 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.50 3mop h TRP 64 CO 0.00 0.63 -0.37 0.78 -2.79 0.00 0.00 178.44 176.69 3mop h GLY 65 N 3.16 -0.99 0.57 2.65 0.00 0.23 -2.10 103.07 106.59 3mop h GLY 65 Ca -0.01 0.42 0.09 0.00 0.00 0.00 0.00 47.33 47.83 3mop h GLY 65 CO 0.08 -0.35 0.63 1.98 0.00 0.00 0.00 176.54 178.88 3mop h MET 66 N -0.91 0.00 -0.74 4.80 1.85 -0.97 0.19 114.93 119.15 3mop h MET 66 Ca -0.07 0.00 -0.37 0.00 -0.61 0.00 0.00 59.70 58.65 3mop h MET 66 Cb 0.75 0.00 -0.22 0.00 0.43 0.00 0.00 31.60 32.56 3mop h MET 66 CO 0.06 0.00 0.36 0.54 -0.40 0.00 0.00 176.91 177.47 3mop n ARG 67 N -3.13 2.25 -1.95 0.39 3.00 -0.81 -4.94 116.66 111.46 3mop n ARG 67 Ca 0.05 -3.08 -0.13 0.00 -0.01 0.00 0.00 57.85 54.69 3mop n ARG 67 Cb 0.76 -2.05 -0.02 0.00 0.00 0.00 0.00 32.46 31.14 3mop n ARG 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 3mop n GLN 68 N -1.04 -0.99 -2.15 5.56 1.13 0.66 -4.96 117.38 115.59 3mop n GLN 68 Ca 0.48 0.74 -0.41 0.00 -1.94 0.00 0.00 57.00 55.87 3mop n GLN 68 Cb 1.42 -4.90 -0.03 0.00 0.11 0.00 0.00 30.24 26.84 3mop n GLN 68 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3mop s ALA 69 N -2.59 3.53 1.00 -1.58 0.00 -1.07 -5.00 121.76 116.05 3mop s ALA 69 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.16 3mop s ALA 69 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3mop s ALA 69 CO 0.00 -0.60 0.00 2.41 0.00 0.00 0.00 175.76 177.57 3mop n THR 70 N 1.85 0.00 0.03 0.00 -1.04 -1.26 -2.40 114.28 111.46 3mop n THR 70 Ca 0.04 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.07 3mop n THR 70 Cb 0.42 -1.19 -0.03 0.00 -1.82 0.00 0.00 70.33 67.71 3mop n THR 70 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3mop n VAL 71 N -0.82 0.00 0.51 12.58 3.14 -0.57 -2.93 118.33 130.24 3mop n VAL 71 Ca 0.00 -0.14 0.10 0.00 -2.96 0.00 0.00 64.34 61.33 3mop n VAL 71 Cb 0.00 0.48 0.41 0.00 -1.06 0.00 0.00 33.84 33.67 3mop n VAL 71 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3mop n GLN 72 N -1.58 0.08 0.05 1.45 0.00 -1.26 -1.69 117.38 114.43 3mop n GLN 72 Ca -0.01 0.29 0.11 0.00 0.00 0.00 0.00 57.00 57.39 3mop n GLN 72 Cb 0.11 -1.65 -0.08 0.00 0.00 0.00 0.00 30.24 28.62 3mop n GLN 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3mop n GLN 73 N -1.81 0.62 -0.01 2.61 6.02 -1.26 -1.93 117.38 121.62 3mop n GLN 73 Ca 0.03 -0.03 -0.16 0.00 -0.01 0.00 0.00 57.00 56.83 3mop n GLN 73 Cb 0.22 -1.67 -0.13 0.00 1.02 0.00 0.00 30.24 29.68 3mop n GLN 73 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3mop h LEU 74 N 0.00 0.27 -0.04 1.08 7.12 -1.67 -2.99 115.31 119.07 3mop h LEU 74 Ca 0.00 -0.87 -0.00 0.00 0.13 0.00 0.00 57.88 57.14 3mop h LEU 74 Cb 0.99 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 41.03 3mop h LEU 74 CO 0.00 1.11 0.02 -0.37 -0.13 0.00 0.00 178.44 179.07 3mop h VAL 75 N -0.54 1.10 -0.58 1.05 -1.51 -1.44 -2.28 116.25 112.05 3mop h VAL 75 Ca -0.06 -0.29 0.08 0.00 -1.23 0.00 0.00 66.70 65.20 3mop h VAL 75 Cb 1.19 1.21 -0.10 0.00 -2.13 0.00 0.00 31.29 31.46 3mop h VAL 75 CO 0.07 0.08 -0.49 0.44 -1.23 0.00 0.00 177.57 176.44 3mop h ASP 76 N -0.04 -1.70 -0.09 4.19 5.19 -1.51 0.06 116.42 122.51 3mop h ASP 76 Ca 0.02 0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 3mop h ASP 76 Cb 0.11 0.74 0.00 0.00 0.18 0.00 0.00 39.33 40.37 3mop h ASP 76 CO -0.00 -0.34 0.00 0.18 -3.12 0.00 0.00 179.24 175.95 3mop n LEU 77 N -5.38 1.12 -0.37 1.55 4.32 -1.13 -1.68 117.00 115.43 3mop n LEU 77 Ca 0.00 -0.56 0.09 0.00 -0.02 0.00 0.00 56.01 55.52 3mop n LEU 77 Cb 0.34 -0.30 -0.02 0.00 -1.62 0.00 0.00 43.42 41.82 3mop n LEU 77 CO -0.03 0.22 0.24 0.18 -1.22 0.00 0.00 177.39 176.78 3mop n LEU 78 N -0.05 1.67 -0.04 2.23 4.77 -0.01 -4.22 117.00 121.36 3mop n LEU 78 Ca 0.04 -0.73 -0.09 0.00 -0.03 0.00 0.00 56.01 55.20 3mop n LEU 78 Cb 0.24 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3mop n LEU 78 CO 0.04 0.32 -0.71 0.00 -1.33 0.00 0.00 177.39 175.71 3mop n ARG 80 N -3.52 0.08 0.00 0.00 1.74 -0.68 0.59 116.66 114.86 3mop n ARG 80 Ca -0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 3mop n ARG 80 Cb 0.54 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 30.98 3mop n ARG 80 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3mop n LEU 81 N -0.41 0.27 -1.25 0.55 0.00 -1.26 -5.00 117.00 109.90 3mop n LEU 81 Ca 0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 56.01 55.59 3mop n LEU 81 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.36 3mop n LEU 81 CO 0.00 0.07 -0.15 -0.62 0.00 0.00 0.00 177.39 176.68 3mop n GLU 82 N -0.04 -1.10 -2.24 1.96 1.02 0.20 -4.90 120.64 115.54 3mop n GLU 82 Ca 0.00 1.02 -0.39 0.00 -0.02 0.00 0.00 57.16 57.77 3mop n GLU 82 Cb 0.32 -5.20 0.02 0.00 -0.02 0.00 0.00 31.44 26.56 3mop n GLU 82 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3mop n LEU 83 N -1.81 7.43 -0.12 -4.62 4.32 -1.04 -4.72 117.00 116.44 3mop n LEU 83 Ca -0.16 -5.05 0.01 0.00 -0.02 0.00 0.00 56.01 50.79 3mop n LEU 83 Cb 0.52 -1.16 0.29 0.00 -1.62 0.00 0.00 43.42 41.45 3mop n LEU 83 CO 0.24 1.93 1.13 1.88 -1.22 0.00 0.00 177.39 181.34 3mop h TYR 84 N 3.75 0.77 -1.58 -1.77 -1.99 -1.85 -2.66 116.97 111.63 3mop h TYR 84 Ca 0.56 -0.01 0.48 0.00 2.00 0.00 0.00 58.73 61.75 3mop h TYR 84 Cb 0.25 -0.25 -0.08 0.00 2.00 0.00 0.00 36.73 38.65 3mop h TYR 84 CO 1.33 0.55 1.11 -2.13 -0.00 0.00 0.00 178.16 179.02 3mop n ARG 85 N -4.39 -0.01 -0.08 4.88 0.63 -1.26 -1.63 116.66 114.80 3mop n ARG 85 Ca 0.05 0.99 -0.08 0.00 -0.92 0.00 0.00 57.85 57.89 3mop n ARG 85 Cb 0.10 -2.18 -0.03 0.00 0.45 0.00 0.00 32.46 30.80 3mop n ARG 85 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3mop n ALA 86 N -2.73 0.61 0.31 5.13 0.00 -1.00 -4.29 120.51 118.54 3mop n ALA 86 Ca 0.38 -0.55 0.10 0.00 0.00 0.00 0.00 53.44 53.37 3mop n ALA 86 Cb 1.66 -0.03 0.53 0.00 0.00 0.00 0.00 19.45 21.61 3mop n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mop h ALA 87 N -0.96 1.50 0.00 0.00 0.00 -1.44 0.19 119.26 118.56 3mop h ALA 87 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3mop h ALA 87 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3mop h ALA 87 CO -0.03 -0.50 0.00 1.96 0.00 0.00 0.00 179.25 180.67 3mop h GLN 88 N 0.00 0.00 0.15 0.00 1.08 -1.49 -2.12 115.11 112.74 3mop h GLN 88 Ca 0.00 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 56.84 3mop h GLN 88 Cb 1.04 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.47 3mop h GLN 88 CO 0.00 0.00 -1.88 -0.84 -0.95 0.00 0.00 178.83 175.16 3mop h ILE 89 N 0.00 0.77 -0.17 2.54 3.07 -0.87 -3.32 117.51 119.52 3mop h ILE 89 Ca 0.00 -2.42 0.00 0.00 1.55 0.00 0.00 64.86 63.99 3mop h ILE 89 Cb 0.27 2.63 0.00 0.00 -0.27 0.00 0.00 36.82 39.44 3mop h ILE 89 CO 0.00 0.88 0.00 2.30 -1.05 0.00 0.00 178.15 180.28 3mop n ILE 90 N -3.53 0.65 0.12 0.16 -5.35 -0.91 -1.60 119.36 108.91 3mop n ILE 90 Ca -0.28 -0.36 0.02 0.00 -0.27 0.00 0.00 62.75 61.85 3mop n ILE 90 Cb 1.06 -0.29 -0.03 0.00 -1.74 0.00 0.00 39.64 38.64 3mop n ILE 90 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3mop n LEU 91 N 0.16 0.12 -1.36 7.28 7.99 -0.85 -4.10 117.00 126.24 3mop n LEU 91 Ca 0.08 -0.32 0.00 0.00 -0.01 0.00 0.00 56.01 55.76 3mop n LEU 91 Cb 0.43 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.74 3mop n LEU 91 CO 0.08 0.03 0.82 0.59 -1.51 0.00 0.00 177.39 177.40 3mop n ASN 92 N -1.29 4.47 0.00 -1.43 5.03 -0.63 -3.55 115.26 117.85 3mop n ASN 92 Ca 0.00 -2.23 0.00 0.00 0.87 0.00 0.00 54.58 53.22 3mop n ASN 92 Cb 0.08 -0.90 0.00 0.00 -1.02 0.00 0.00 39.78 37.94 3mop n ASN 92 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 3mop n TRP 93 N 1.21 -1.80 -0.15 3.10 -0.00 -1.26 -5.07 117.44 113.47 3mop n TRP 93 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3mop n TRP 93 Cb 0.48 0.48 0.00 0.00 -0.00 0.00 0.00 31.31 32.27 3mop n TRP 93 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86