#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ghc n GLY 2 N 0.00 1.15 3.80 2.92 0.00 0.14 -5.03 105.19 108.18 3ghc n GLY 2 Ca 0.00 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 3ghc n GLY 2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ghc s SER 3 N -1.00 5.10 -0.12 1.61 1.04 -1.26 -4.68 113.70 114.40 3ghc s SER 3 Ca 0.00 1.70 -0.03 0.00 0.48 0.00 0.00 55.95 58.10 3ghc s SER 3 Cb 0.00 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.58 3ghc s SER 3 CO 0.00 -1.63 -0.00 -0.22 0.98 0.00 0.00 173.24 172.36 3ghc s LEU 4 N -5.63 3.51 -0.03 2.42 2.96 -1.26 -0.60 118.68 120.04 3ghc s LEU 4 Ca 0.59 0.06 -0.09 0.00 -0.22 0.00 0.00 54.13 54.47 3ghc s LEU 4 Cb -0.15 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.73 3ghc s LEU 4 CO 0.55 0.30 0.21 0.20 -1.32 0.00 0.00 176.35 176.28 3ghc s ASN 5 N -0.38 -0.12 0.10 3.68 0.01 -0.42 -2.37 114.94 115.45 3ghc s ASN 5 Ca 0.07 0.10 0.06 0.00 -0.71 0.00 0.00 52.86 52.38 3ghc s ASN 5 Cb -0.12 0.32 -0.04 0.00 0.41 0.00 0.00 41.25 41.82 3ghc s ASN 5 CO 0.02 -0.28 -0.04 0.00 -1.51 0.00 0.00 177.10 175.29 3ghc s ILE 7 N -1.32 0.43 0.09 0.00 2.07 -0.72 -0.50 121.20 121.25 3ghc s ILE 7 Ca 0.24 -0.23 -0.20 0.00 -1.41 0.00 0.00 60.65 59.06 3ghc s ILE 7 Cb -0.11 -0.37 0.05 0.00 0.13 0.00 0.00 42.46 42.16 3ghc s ILE 7 CO 0.17 0.12 0.47 0.54 -1.91 0.00 0.00 174.94 174.33 3ghc s VAL 8 N -0.11 0.04 -0.08 4.00 0.11 -0.51 -4.56 120.40 119.31 3ghc s VAL 8 Ca 0.02 -0.36 0.05 0.00 -2.93 0.00 0.00 61.98 58.76 3ghc s VAL 8 Cb -0.02 -1.04 -0.01 0.00 -1.53 0.00 0.00 36.38 33.77 3ghc s VAL 8 CO -0.00 -0.20 -0.23 0.00 -3.33 0.00 0.00 175.10 171.34 3ghc s ALA 9 N -3.13 2.24 -0.01 1.54 0.00 -1.26 -0.81 121.76 120.33 3ghc s ALA 9 Ca -0.01 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 3ghc s ALA 9 Cb 0.00 -0.79 0.01 0.00 0.00 0.00 0.00 23.12 22.34 3ghc s ALA 9 CO -0.07 0.37 0.02 0.54 0.00 0.00 0.00 175.76 176.62 3ghc s VAL 10 N 0.01 -0.01 1.05 0.00 0.11 0.11 -4.63 120.40 117.04 3ghc s VAL 10 Ca -0.08 0.04 -0.17 0.00 -2.93 0.00 0.00 61.98 58.83 3ghc s VAL 10 Cb -0.15 -0.04 0.23 0.00 -1.53 0.00 0.00 36.38 34.88 3ghc s VAL 10 CO 0.05 0.01 1.24 -0.94 -3.33 0.00 0.00 175.10 172.14 3ghc s SER 11 N 0.19 2.32 0.37 3.54 1.04 -0.36 -0.51 113.70 120.29 3ghc s SER 11 Ca -0.01 0.40 0.08 0.00 0.48 0.00 0.00 55.95 56.90 3ghc s SER 11 Cb -0.02 -0.52 0.72 0.00 0.10 0.00 0.00 66.02 66.30 3ghc s SER 11 CO -0.01 -3.24 1.89 1.56 0.98 0.00 0.00 173.24 174.43 3ghc h GLN 12 N -1.98 0.30 -0.87 4.02 4.20 -0.86 0.03 115.11 119.94 3ghc h GLN 12 Ca -0.45 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.12 3ghc h GLN 12 Cb 1.26 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.96 3ghc h GLN 12 CO 0.37 0.43 0.09 0.27 -0.67 0.00 0.00 178.83 179.31 3ghc n ASN 13 N -4.26 3.20 -0.32 1.46 6.94 -1.26 -4.89 115.26 116.13 3ghc n ASN 13 Ca -0.00 -2.51 -0.04 0.00 -0.02 0.00 0.00 54.58 52.01 3ghc n ASN 13 Cb 0.27 -0.60 -0.02 0.00 -2.36 0.00 0.00 39.78 37.07 3ghc n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3ghc n MET 14 N 0.13 -0.77 -2.67 -3.83 2.81 -0.00 -4.97 117.12 107.81 3ghc n MET 14 Ca 0.17 0.49 -0.38 0.00 -1.81 0.00 0.00 57.70 56.16 3ghc n MET 14 Cb 0.78 -4.25 -0.05 0.00 -0.71 0.00 0.00 33.22 28.99 3ghc n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3ghc s GLY 15 N -2.40 2.93 0.00 3.03 0.00 -1.25 -0.56 107.32 109.06 3ghc s GLY 15 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.38 3ghc s GLY 15 CO 0.00 1.17 0.00 0.29 0.00 0.00 0.00 173.10 174.56 3ghc n ILE 16 N 0.84 0.00 -3.61 0.90 -5.35 0.08 -1.23 119.36 110.99 3ghc n ILE 16 Ca 0.01 -0.14 -0.13 0.00 -0.27 0.00 0.00 62.75 62.22 3ghc n ILE 16 Cb 0.48 0.61 -0.05 0.00 -1.74 0.00 0.00 39.64 38.94 3ghc n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3ghc s GLY 17 N -1.22 -0.35 -0.17 3.28 0.00 -1.04 -4.38 107.32 103.44 3ghc s GLY 17 Ca 0.00 0.35 -0.10 0.00 0.00 0.00 0.00 44.72 44.97 3ghc s GLY 17 CO 0.00 0.07 0.42 1.25 0.00 0.00 0.00 173.10 174.83 3ghc s LYS 18 N -2.85 0.40 -1.59 2.90 2.20 0.50 -0.45 119.74 120.85 3ghc s LYS 18 Ca -0.03 0.79 -0.13 0.00 -0.36 0.00 0.00 55.97 56.24 3ghc s LYS 18 Cb -0.00 -0.01 0.10 0.00 -1.51 0.00 0.00 37.83 36.41 3ghc s LYS 18 CO -0.05 -0.16 0.76 0.09 -0.36 0.00 0.00 175.35 175.64 3ghc n ASN 19 N 4.22 -3.02 0.00 1.43 3.02 -1.26 -1.59 115.26 118.06 3ghc n ASN 19 Ca -0.23 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 3ghc n ASN 19 Cb 0.55 -3.15 0.00 0.00 -0.61 0.00 0.00 39.78 36.57 3ghc n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ghc n GLY 20 N -1.60 0.69 0.63 7.41 0.00 -1.26 -4.99 105.19 106.07 3ghc n GLY 20 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 3ghc n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ghc n ASP 21 N 0.00 -0.17 -4.83 1.61 -0.08 -0.62 -4.61 116.55 107.85 3ghc n ASP 21 Ca 0.00 -1.41 -0.32 0.00 -1.51 0.00 0.00 54.79 51.54 3ghc n ASP 21 Cb 0.00 0.36 -0.01 0.00 2.34 0.00 0.00 41.12 43.81 3ghc n ASP 21 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3ghc s LEU 22 N 0.00 3.52 0.40 -2.67 1.43 -1.26 -0.37 118.68 119.73 3ghc s LEU 22 Ca 0.07 1.65 0.20 0.00 -1.03 0.00 0.00 54.13 55.02 3ghc s LEU 22 Cb 0.00 -4.51 0.83 0.00 0.03 0.00 0.00 46.19 42.54 3ghc s LEU 22 CO 0.05 -0.86 1.81 -0.65 0.23 0.00 0.00 176.35 176.93 3ghc h PRO 23 N 0.56 0.00 -6.20 1.29 0.11 -1.84 -3.41 132.00 122.52 3ghc h PRO 23 Ca -0.46 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.13 3ghc h PRO 23 Cb 1.20 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 3ghc h PRO 23 CO 0.60 0.32 -0.56 1.67 -0.21 0.00 0.00 178.00 179.82 3ghc s TRP 24 N -3.77 2.98 0.91 0.65 -2.14 -1.26 -4.79 118.94 111.52 3ghc s TRP 24 Ca -0.01 -0.15 -0.11 0.00 2.66 0.00 0.00 56.10 58.49 3ghc s TRP 24 Cb 0.12 -1.35 0.14 0.00 -3.10 0.00 0.00 33.47 29.27 3ghc s TRP 24 CO 0.67 0.54 1.09 -1.25 -2.66 0.00 0.00 176.95 175.34 3ghc s PRO 25 N -3.80 1.12 0.19 3.25 0.04 -1.26 -4.88 135.00 129.66 3ghc s PRO 25 Ca 0.33 0.98 -0.33 0.00 0.04 0.00 0.00 61.00 62.02 3ghc s PRO 25 Cb -0.07 -1.78 -0.13 0.00 0.04 0.00 0.00 34.50 32.55 3ghc s PRO 25 CO 0.23 -2.38 1.58 -2.30 0.04 0.00 0.00 177.00 174.17 3ghc n PRO 26 N -4.00 2.28 -3.71 0.56 -0.02 -1.26 -4.95 135.00 123.90 3ghc n PRO 26 Ca 0.08 0.82 -0.37 0.00 -2.02 0.00 0.00 63.50 62.00 3ghc n PRO 26 Cb 0.54 -2.58 -0.10 0.00 -0.02 0.00 0.00 33.50 31.34 3ghc n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ghc s LEU 27 N 0.74 5.33 0.25 2.45 1.43 -1.26 -4.92 118.68 122.70 3ghc s LEU 27 Ca 0.76 -2.43 -0.05 0.00 -1.03 0.00 0.00 54.13 51.38 3ghc s LEU 27 Cb -0.63 -1.87 0.28 0.00 0.03 0.00 0.00 46.19 44.00 3ghc s LEU 27 CO 0.39 -0.48 1.86 0.03 0.23 0.00 0.00 176.35 178.38 3ghc h ARG 28 N 7.60 1.14 0.00 1.70 3.08 -1.98 -0.86 114.38 125.06 3ghc h ARG 28 Ca -0.08 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.76 3ghc h ARG 28 Cb 1.00 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 3ghc h ARG 28 CO 0.72 0.86 -0.27 -0.91 -1.07 0.00 0.00 179.97 179.31 3ghc h ASN 29 N 1.13 0.00 -0.27 7.04 2.35 -1.98 -1.20 115.58 122.65 3ghc h ASN 29 Ca 0.28 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.93 3ghc h ASN 29 Cb 0.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3ghc h ASN 29 CO -0.04 0.27 -0.21 -0.08 -1.65 0.00 0.00 177.43 175.72 3ghc h GLU 30 N 0.00 0.61 -1.00 0.81 4.22 -1.68 -0.69 114.58 116.86 3ghc h GLU 30 Ca -0.00 -0.30 0.02 0.00 0.08 0.00 0.00 59.36 59.16 3ghc h GLU 30 Cb 0.99 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.18 3ghc h GLU 30 CO 0.03 0.89 0.66 0.74 -2.18 0.00 0.00 179.01 179.15 3ghc h PHE 31 N 0.34 1.24 -0.11 0.92 0.04 -1.03 -0.79 116.94 117.54 3ghc h PHE 31 Ca 0.05 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.77 3ghc h PHE 31 Cb 0.75 -0.42 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 3ghc h PHE 31 CO 0.07 0.74 -0.28 0.00 -0.60 0.00 0.00 178.31 178.24 3ghc h ARG 32 N 1.30 0.20 -0.01 1.51 3.08 -0.85 -0.52 114.38 119.08 3ghc h ARG 32 Ca 0.38 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.36 3ghc h ARG 32 Cb -0.07 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3ghc h ARG 32 CO -0.10 0.47 0.01 -0.92 -1.07 0.00 0.00 179.97 178.35 3ghc h TYR 33 N 0.18 0.01 -0.52 3.04 5.03 -0.55 0.28 116.97 124.44 3ghc h TYR 33 Ca 0.03 0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.43 3ghc h TYR 33 Cb 0.59 -0.01 -0.07 0.00 1.55 0.00 0.00 36.73 38.79 3ghc h TYR 33 CO 0.01 0.03 0.11 0.35 -1.32 0.00 0.00 178.16 177.33 3ghc h PHE 34 N -0.00 0.17 -0.33 -3.82 3.57 -0.73 0.76 116.94 116.57 3ghc h PHE 34 Ca 0.00 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.39 3ghc h PHE 34 Cb 0.02 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3ghc h PHE 34 CO -0.07 -0.01 -0.38 0.66 -2.23 0.00 0.00 178.31 176.28 3ghc h SER 35 N 0.24 0.82 -0.38 0.41 4.64 -0.95 -1.10 113.55 117.23 3ghc h SER 35 Ca 0.26 -0.36 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 3ghc h SER 35 Cb 0.36 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 3ghc h SER 35 CO -0.34 1.10 0.12 -0.09 -0.87 0.00 0.00 176.83 176.75 3ghc h ARG 36 N 0.64 0.59 -0.29 4.77 2.43 -0.37 0.49 114.38 122.65 3ghc h ARG 36 Ca 0.06 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 3ghc h ARG 36 Cb 0.93 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 3ghc h ARG 36 CO 0.08 0.60 -0.06 0.52 -1.51 0.00 0.00 179.97 179.60 3ghc h MET 37 N 0.47 0.55 0.00 0.20 2.86 -0.72 -1.90 114.93 116.39 3ghc h MET 37 Ca 0.12 -0.21 -0.10 0.00 -2.06 0.00 0.00 59.70 57.46 3ghc h MET 37 Cb 0.25 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 3ghc h MET 37 CO -0.00 0.74 -0.46 1.79 1.06 0.00 0.00 176.91 180.04 3ghc h THR 38 N 0.31 0.95 0.04 2.22 1.35 -1.14 -3.31 112.91 113.32 3ghc h THR 38 Ca 0.07 -1.88 -0.30 0.00 -0.55 0.00 0.00 66.41 63.75 3ghc h THR 38 Cb 0.54 2.15 -0.04 0.00 -1.73 0.00 0.00 68.15 69.07 3ghc h THR 38 CO 0.03 0.45 -1.69 0.74 -0.25 0.00 0.00 175.52 174.80 3ghc h THR 39 N 0.00 0.90 -3.12 6.82 2.02 -0.85 -3.43 112.91 115.26 3ghc h THR 39 Ca -0.00 -2.70 -0.55 0.00 0.77 0.00 0.00 66.41 63.93 3ghc h THR 39 Cb 1.11 2.50 -0.02 0.00 -1.74 0.00 0.00 68.15 70.01 3ghc h THR 39 CO 0.06 0.63 0.66 -0.89 0.37 0.00 0.00 175.52 176.35 3ghc s THR 40 N -2.60 4.23 -0.09 3.16 2.01 -0.72 -4.60 115.64 117.03 3ghc s THR 40 Ca -0.08 1.57 0.02 0.00 0.31 0.00 0.00 61.69 63.51 3ghc s THR 40 Cb 0.08 -4.01 0.01 0.00 0.01 0.00 0.00 72.50 68.59 3ghc s THR 40 CO 0.82 0.03 -0.14 -0.55 -0.69 0.00 0.00 174.62 174.09 3ghc s SER 41 N 1.38 2.16 0.05 3.53 0.15 -1.26 -4.94 113.70 114.77 3ghc s SER 41 Ca 0.56 -0.37 0.22 0.00 0.70 0.00 0.00 55.95 57.07 3ghc s SER 41 Cb -0.26 -0.97 0.91 0.00 -1.71 0.00 0.00 66.02 64.00 3ghc s SER 41 CO 0.24 0.03 1.70 -1.54 1.20 0.00 0.00 173.24 174.86 3ghc n SER 42 N 4.02 0.15 -4.56 5.45 3.41 -1.26 -4.83 113.62 116.00 3ghc n SER 42 Ca -0.20 0.52 -0.36 0.00 -0.26 0.00 0.00 58.87 58.57 3ghc n SER 42 Cb 0.51 -0.56 -0.11 0.00 -0.26 0.00 0.00 64.21 63.79 3ghc n SER 42 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ghc s VAL 43 N -3.04 4.83 0.30 -3.33 1.01 -1.26 -5.06 120.40 113.85 3ghc s VAL 43 Ca 0.10 -0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 3ghc s VAL 43 Cb 0.13 -3.25 -0.11 0.00 0.00 0.00 0.00 36.38 33.15 3ghc s VAL 43 CO 0.41 0.34 1.55 -0.70 0.00 0.00 0.00 175.10 176.71 3ghc s GLU 44 N 1.29 4.14 -0.88 2.72 2.56 -1.26 -2.37 118.70 124.90 3ghc s GLU 44 Ca 0.06 2.54 0.00 0.00 0.00 0.00 0.00 54.97 57.57 3ghc s GLU 44 Cb -0.14 -3.02 0.00 0.00 2.00 0.00 0.00 34.13 32.96 3ghc s GLU 44 CO 0.05 -0.58 0.00 0.41 -0.56 0.00 0.00 175.26 174.58 3ghc n GLY 45 N 1.84 0.98 3.41 -1.50 0.00 -1.26 -5.01 105.19 103.65 3ghc n GLY 45 Ca 0.07 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 3ghc n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ghc s LYS 46 N -2.45 1.50 0.32 1.61 1.02 -1.00 -4.78 119.74 115.95 3ghc s LYS 46 Ca 0.00 -1.57 0.10 0.00 0.02 0.00 0.00 55.97 54.52 3ghc s LYS 46 Cb 0.00 -1.67 -0.06 0.00 -0.52 0.00 0.00 37.83 35.58 3ghc s LYS 46 CO 0.00 0.34 -0.11 -0.65 -0.92 0.00 0.00 175.35 174.01 3ghc s GLN 47 N -2.98 1.84 0.41 1.68 -0.21 -0.31 -4.88 119.66 115.21 3ghc s GLN 47 Ca 0.22 -1.82 -0.11 0.00 0.02 0.00 0.00 55.36 53.67 3ghc s GLN 47 Cb -0.06 -1.79 -0.07 0.00 1.00 0.00 0.00 33.01 32.09 3ghc s GLN 47 CO 0.10 0.22 0.79 -0.80 -2.12 0.00 0.00 175.29 173.48 3ghc s ASN 48 N -3.60 6.55 -0.13 5.90 0.01 -1.26 -1.02 114.94 121.39 3ghc s ASN 48 Ca 0.32 1.18 -0.03 0.00 -0.71 0.00 0.00 52.86 53.62 3ghc s ASN 48 Cb -0.01 -2.34 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 3ghc s ASN 48 CO 0.17 -0.40 -0.03 -0.22 -1.51 0.00 0.00 177.10 175.10 3ghc s LEU 49 N -3.81 3.30 -0.15 0.60 2.96 -0.18 -1.19 118.68 120.20 3ghc s LEU 49 Ca 0.52 -0.06 -0.06 0.00 -0.22 0.00 0.00 54.13 54.32 3ghc s LEU 49 Cb -0.10 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 3ghc s LEU 49 CO 0.30 0.24 0.04 0.68 -1.32 0.00 0.00 176.35 176.30 3ghc s VAL 50 N -0.07 4.61 -0.13 1.68 -7.23 0.48 -0.26 120.40 119.47 3ghc s VAL 50 Ca 0.02 -0.11 0.01 0.00 -1.81 0.00 0.00 61.98 60.09 3ghc s VAL 50 Cb -0.13 -3.03 -0.01 0.00 0.56 0.00 0.00 36.38 33.77 3ghc s VAL 50 CO 0.02 0.51 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.53 3ghc s ILE 51 N -0.05 2.65 0.00 -0.62 1.01 -0.00 -1.07 121.20 123.12 3ghc s ILE 51 Ca 0.05 -0.79 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 3ghc s ILE 51 Cb -0.12 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.26 3ghc s ILE 51 CO 0.01 0.53 0.20 0.00 0.00 0.00 0.00 174.94 175.68 3ghc s MET 52 N 0.54 0.57 1.04 2.79 0.23 -0.60 -1.06 119.30 122.82 3ghc s MET 52 Ca -0.10 -0.37 -0.12 0.00 -1.03 0.00 0.00 55.69 54.06 3ghc s MET 52 Cb -0.16 0.24 0.21 0.00 -1.53 0.00 0.00 34.83 33.59 3ghc s MET 52 CO 0.04 -0.15 1.07 0.20 -2.03 0.00 0.00 175.02 174.16 3ghc s GLY 53 N -1.46 1.56 0.19 3.16 0.00 0.54 -0.44 107.32 110.87 3ghc s GLY 53 Ca -0.13 -0.28 -0.07 0.00 0.00 0.00 0.00 44.72 44.24 3ghc s GLY 53 CO 0.02 0.36 1.57 1.70 0.00 0.00 0.00 173.10 176.75 3ghc h LYS 54 N -2.10 0.83 -0.27 2.90 3.64 -1.86 -1.36 116.57 118.37 3ghc h LYS 54 Ca -0.56 -0.37 -0.13 0.00 -1.27 0.00 0.00 60.65 58.31 3ghc h LYS 54 Cb 1.33 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 3ghc h LYS 54 CO 0.55 1.01 -0.37 0.87 -2.27 0.00 0.00 179.45 179.25 3ghc h LYS 55 N 0.71 0.60 -0.55 1.90 1.57 -1.93 -2.45 116.57 116.42 3ghc h LYS 55 Ca 0.08 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 3ghc h LYS 55 Cb 0.83 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 3ghc h LYS 55 CO 0.07 0.87 0.21 1.15 -0.57 0.00 0.00 179.45 181.19 3ghc h THR 56 N 0.50 1.22 -0.32 -0.16 2.02 -1.80 -0.36 112.91 114.01 3ghc h THR 56 Ca 0.05 -0.70 0.07 0.00 0.77 0.00 0.00 66.41 66.60 3ghc h THR 56 Cb 0.86 0.65 -0.08 0.00 -1.74 0.00 0.00 68.15 67.85 3ghc h THR 56 CO 0.07 0.27 -0.23 -0.25 0.37 0.00 0.00 175.52 175.75 3ghc h TRP 57 N 0.75 -0.59 0.00 3.16 2.91 -0.96 -1.81 115.95 119.40 3ghc h TRP 57 Ca 0.18 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.24 3ghc h TRP 57 Cb 0.21 0.31 0.00 0.00 -0.51 0.00 0.00 29.16 29.17 3ghc h TRP 57 CO 0.01 -0.30 0.00 1.19 -1.03 0.00 0.00 178.44 178.30 3ghc n PHE 58 N -5.38 0.58 0.65 2.65 3.01 -0.95 -1.95 117.46 116.08 3ghc n PHE 58 Ca 0.00 0.20 0.13 0.00 1.01 0.00 0.00 57.45 58.80 3ghc n PHE 58 Cb 0.29 -0.83 0.44 0.00 -0.01 0.00 0.00 39.48 39.37 3ghc n PHE 58 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3ghc n SER 59 N -2.01 0.68 -4.73 4.37 3.41 -0.18 -4.77 113.62 110.40 3ghc n SER 59 Ca 0.04 0.57 -0.41 0.00 -0.26 0.00 0.00 58.87 58.82 3ghc n SER 59 Cb 0.29 -0.75 -0.04 0.00 -0.26 0.00 0.00 64.21 63.45 3ghc n SER 59 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3ghc s ILE 60 N -3.11 4.64 0.26 -1.33 1.01 -0.82 -4.93 121.20 116.92 3ghc s ILE 60 Ca 0.10 1.96 -0.29 0.00 0.00 0.00 0.00 60.65 62.42 3ghc s ILE 60 Cb 0.13 -4.27 -0.15 0.00 0.01 0.00 0.00 42.46 38.18 3ghc s ILE 60 CO 0.56 0.29 1.00 -2.65 0.00 0.00 0.00 174.94 174.15 3ghc n PRO 61 N 3.05 1.20 0.06 2.79 -0.02 -1.26 -4.80 135.00 136.02 3ghc n PRO 61 Ca 0.02 0.42 0.04 0.00 -2.02 0.00 0.00 63.50 61.97 3ghc n PRO 61 Cb 0.50 -1.79 0.46 0.00 -0.02 0.00 0.00 33.50 32.64 3ghc n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3ghc h GLU 62 N 2.22 0.41 0.00 -0.52 4.22 -1.93 0.10 114.58 119.08 3ghc h GLU 62 Ca -0.39 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.01 3ghc h GLU 62 Cb 1.35 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3ghc h GLU 62 CO 0.62 0.30 0.00 1.57 -2.18 0.00 0.00 179.01 179.32 3ghc h LYS 63 N 0.42 0.00 -0.46 1.92 5.09 -2.01 -2.32 116.57 119.21 3ghc h LYS 63 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.85 3ghc h LYS 63 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 3ghc h LYS 63 CO -0.02 0.00 0.00 0.43 -2.09 0.00 0.00 179.45 177.77 3ghc n SER 64 N -3.01 3.30 -4.63 7.07 7.64 0.33 -4.95 113.62 119.38 3ghc n SER 64 Ca -0.01 -1.95 -0.32 0.00 1.01 0.00 0.00 58.87 57.60 3ghc n SER 64 Cb 0.19 -0.30 -0.10 0.00 -1.01 0.00 0.00 64.21 62.99 3ghc n SER 64 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3ghc s ARG 65 N -1.09 2.64 0.77 1.43 0.52 -0.88 -3.32 118.95 119.02 3ghc s ARG 65 Ca 0.34 -0.68 -0.13 0.00 -0.52 0.00 0.00 55.73 54.74 3ghc s ARG 65 Cb 0.18 -2.56 0.06 0.00 0.52 0.00 0.00 34.95 33.15 3ghc s ARG 65 CO 0.25 0.61 1.16 -1.25 0.02 0.00 0.00 175.30 176.09 3ghc s PRO 66 N -1.48 1.95 -0.11 3.54 0.04 -1.26 -4.97 135.00 132.72 3ghc s PRO 66 Ca 0.18 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 3ghc s PRO 66 Cb -0.11 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 3ghc s PRO 66 CO 0.09 -1.94 2.09 1.28 0.04 0.00 0.00 177.00 178.56 3ghc n LEU 67 N -3.18 3.59 -4.77 -3.56 4.77 -1.21 -4.87 117.00 107.78 3ghc n LEU 67 Ca 0.12 0.56 -0.38 0.00 -0.03 0.00 0.00 56.01 56.29 3ghc n LEU 67 Cb 0.51 -1.51 -0.00 0.00 -2.33 0.00 0.00 43.42 40.09 3ghc n LEU 67 CO 0.49 -0.27 0.88 -1.59 -1.33 0.00 0.00 177.39 175.56 3ghc s LYS 68 N 5.39 3.69 0.00 3.23 -2.85 -1.26 -2.69 119.74 125.25 3ghc s LYS 68 Ca 0.96 1.92 0.00 0.00 -1.00 0.00 0.00 55.97 57.84 3ghc s LYS 68 Cb -0.43 -2.45 0.00 0.00 -2.06 0.00 0.00 37.83 32.89 3ghc s LYS 68 CO 0.40 -0.65 0.00 0.41 0.10 0.00 0.00 175.35 175.62 3ghc n GLY 69 N 0.55 0.84 3.28 0.59 0.00 -1.26 -4.96 105.19 104.23 3ghc n GLY 69 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 3ghc n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ghc s ARG 70 N -0.01 1.11 -0.11 1.61 0.52 -1.10 -4.50 118.95 116.48 3ghc s ARG 70 Ca 0.00 -1.22 -0.24 0.00 -0.52 0.00 0.00 55.73 53.75 3ghc s ARG 70 Cb 0.00 -1.22 -0.03 0.00 0.52 0.00 0.00 34.95 34.22 3ghc s ARG 70 CO 0.00 0.26 0.75 0.42 0.02 0.00 0.00 175.30 176.76 3ghc s ILE 71 N -1.60 4.98 -0.28 1.52 1.01 -0.33 -4.77 121.20 121.72 3ghc s ILE 71 Ca 0.08 1.52 -0.08 0.00 0.00 0.00 0.00 60.65 62.17 3ghc s ILE 71 Cb -0.08 -4.08 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 3ghc s ILE 71 CO 0.04 0.16 0.11 0.20 0.00 0.00 0.00 174.94 175.45 3ghc s ASN 72 N 0.97 5.31 -0.09 3.58 0.02 -1.26 -0.38 114.94 123.08 3ghc s ASN 72 Ca 0.38 -0.44 0.03 0.00 -1.02 0.00 0.00 52.86 51.81 3ghc s ASN 72 Cb -0.17 -1.95 -0.01 0.00 0.02 0.00 0.00 41.25 39.14 3ghc s ASN 72 CO 0.16 -0.13 -0.20 -0.22 0.02 0.00 0.00 177.10 176.73 3ghc s LEU 73 N 1.59 2.36 -0.09 0.60 0.20 -0.23 -1.31 118.68 121.80 3ghc s LEU 73 Ca 0.05 -0.43 0.01 0.00 0.69 0.00 0.00 54.13 54.45 3ghc s LEU 73 Cb -0.16 -1.48 -0.02 0.00 -0.43 0.00 0.00 46.19 44.09 3ghc s LEU 73 CO 0.05 0.21 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.51 3ghc s VAL 74 N 0.08 3.33 -0.20 1.68 1.01 -0.22 -1.55 120.40 124.53 3ghc s VAL 74 Ca -0.09 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.15 3ghc s VAL 74 Cb -0.15 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3ghc s VAL 74 CO 0.06 0.57 0.31 -0.76 0.00 0.00 0.00 175.10 175.27 3ghc s LEU 75 N -0.38 4.16 -0.25 3.92 1.43 0.42 -1.42 118.68 126.56 3ghc s LEU 75 Ca 0.05 0.40 -0.26 0.00 -1.03 0.00 0.00 54.13 53.29 3ghc s LEU 75 Cb -0.12 -2.37 0.09 0.00 0.03 0.00 0.00 46.19 43.81 3ghc s LEU 75 CO 0.02 -0.01 0.83 -0.55 0.23 0.00 0.00 176.35 176.88 3ghc s SER 76 N 0.94 -0.62 0.00 2.29 0.15 -0.65 -2.68 113.70 113.13 3ghc s SER 76 Ca 0.15 1.13 0.22 0.00 0.70 0.00 0.00 55.95 58.15 3ghc s SER 76 Cb -0.14 1.12 -0.13 0.00 -1.71 0.00 0.00 66.02 65.16 3ghc s SER 76 CO 0.06 -0.26 0.91 0.54 1.20 0.00 0.00 173.24 175.69 3ghc n ARG 77 N 2.24 0.14 -0.04 5.44 1.74 -1.26 -4.22 116.66 120.70 3ghc n ARG 77 Ca -0.14 -0.03 -0.18 0.00 -0.77 0.00 0.00 57.85 56.74 3ghc n ARG 77 Cb 0.56 -1.52 -0.14 0.00 -1.02 0.00 0.00 32.46 30.34 3ghc n ARG 77 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3ghc n GLU 78 N -1.68 0.71 -1.98 5.56 1.02 -1.26 -4.93 120.64 118.07 3ghc n GLU 78 Ca 0.03 0.22 -0.36 0.00 -0.02 0.00 0.00 57.16 57.02 3ghc n GLU 78 Cb 0.38 -1.66 0.03 0.00 -0.02 0.00 0.00 31.44 30.17 3ghc n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3ghc s LEU 79 N -6.65 3.71 -0.02 -4.62 1.43 -1.26 -4.95 118.68 106.31 3ghc s LEU 79 Ca -0.22 2.46 0.19 0.00 -1.03 0.00 0.00 54.13 55.53 3ghc s LEU 79 Cb 0.07 -4.53 -0.27 0.00 0.03 0.00 0.00 46.19 41.49 3ghc s LEU 79 CO 0.74 -1.58 0.55 0.29 0.23 0.00 0.00 176.35 176.58 3ghc n LYS 80 N -1.47 0.65 -3.73 1.70 4.76 -1.26 -5.00 118.16 113.81 3ghc n LYS 80 Ca 0.13 -0.12 -0.10 0.00 -2.87 0.00 0.00 58.31 55.35 3ghc n LYS 80 Cb 0.49 -1.44 -0.05 0.00 -1.84 0.00 0.00 35.03 32.19 3ghc n LYS 80 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3ghc s GLU 81 N -3.16 1.22 0.53 1.97 -1.05 -1.26 -5.14 118.70 111.82 3ghc s GLU 81 Ca -0.02 -0.84 -0.21 0.00 -0.15 0.00 0.00 54.97 53.74 3ghc s GLU 81 Cb 0.13 0.48 -0.07 0.00 -0.44 0.00 0.00 34.13 34.23 3ghc s GLU 81 CO 0.80 -0.50 1.07 -2.30 0.95 0.00 0.00 175.26 175.28 3ghc n PRO 82 N -0.28 1.24 -0.90 -4.83 -0.02 -1.26 -4.95 135.00 124.00 3ghc n PRO 82 Ca -0.12 0.46 -0.33 0.00 -2.02 0.00 0.00 63.50 61.49 3ghc n PRO 82 Cb 0.63 -2.22 0.14 0.00 -0.02 0.00 0.00 33.50 32.03 3ghc n PRO 82 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3ghc n PRO 83 N -0.61 -0.13 -1.61 0.52 -0.02 -1.26 -4.81 135.00 127.07 3ghc n PRO 83 Ca 0.11 0.03 -0.52 0.00 -2.02 0.00 0.00 63.50 61.10 3ghc n PRO 83 Cb 0.44 -2.27 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 3ghc n PRO 83 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3ghc n GLN 84 N -3.17 1.18 0.00 -0.52 7.27 -1.26 -0.72 117.38 120.16 3ghc n GLN 84 Ca 0.11 0.43 0.00 0.00 0.07 0.00 0.00 57.00 57.61 3ghc n GLN 84 Cb 0.52 -2.08 0.00 0.00 2.41 0.00 0.00 30.24 31.08 3ghc n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ghc n GLY 85 N 2.75 2.93 3.91 1.69 0.00 -1.26 -4.92 105.19 110.29 3ghc n GLY 85 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 3ghc n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ghc s ALA 86 N -1.76 3.33 -0.20 4.61 0.00 0.10 -3.99 121.76 123.85 3ghc s ALA 86 Ca 0.00 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.40 3ghc s ALA 86 Cb 0.00 -2.62 -0.15 0.00 0.00 0.00 0.00 23.12 20.35 3ghc s ALA 86 CO 0.00 -0.63 -0.15 0.72 0.00 0.00 0.00 175.76 175.70 3ghc n HIS 87 N -2.47 0.00 -4.15 0.00 -0.00 -0.42 -4.78 115.22 103.39 3ghc n HIS 87 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.65 3ghc n HIS 87 Cb 0.56 -0.80 -0.10 0.00 -0.00 0.00 0.00 29.99 29.65 3ghc n HIS 87 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3ghc s PHE 88 N -2.41 0.83 -0.05 4.41 0.08 -0.84 -4.94 117.98 115.07 3ghc s PHE 88 Ca -0.25 -0.90 0.01 0.00 0.12 0.00 0.00 56.93 55.91 3ghc s PHE 88 Cb 0.07 -0.49 0.02 0.00 -0.57 0.00 0.00 43.02 42.05 3ghc s PHE 88 CO 0.51 -0.17 -0.06 -1.17 -0.10 0.00 0.00 175.22 174.23 3ghc s LEU 89 N -2.93 1.35 0.13 -0.37 2.96 -1.26 -1.05 118.68 117.51 3ghc s LEU 89 Ca 0.10 -0.15 0.06 0.00 -0.22 0.00 0.00 54.13 53.91 3ghc s LEU 89 Cb 0.05 -0.51 -0.04 0.00 0.50 0.00 0.00 46.19 46.19 3ghc s LEU 89 CO -0.05 -0.05 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.36 3ghc s SER 90 N 0.92 1.95 0.00 3.68 0.01 -0.51 -4.96 113.70 114.79 3ghc s SER 90 Ca -0.11 -0.86 0.24 0.00 1.31 0.00 0.00 55.95 56.53 3ghc s SER 90 Cb -0.14 -0.06 0.24 0.00 0.21 0.00 0.00 66.02 66.27 3ghc s SER 90 CO 0.00 -0.19 1.25 -1.14 0.41 0.00 0.00 173.24 173.57 3ghc n ARG 91 N 0.34 1.21 -3.52 12.44 0.63 -1.26 -1.64 116.66 124.86 3ghc n ARG 91 Ca -0.14 -0.94 -0.09 0.00 -0.92 0.00 0.00 57.85 55.77 3ghc n ARG 91 Cb 0.58 -1.48 -0.02 0.00 0.45 0.00 0.00 32.46 31.99 3ghc n ARG 91 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3ghc s SER 92 N -2.43 -0.39 0.16 6.15 1.04 -1.26 -4.71 113.70 112.26 3ghc s SER 92 Ca 0.21 -0.06 -0.13 0.00 0.48 0.00 0.00 55.95 56.45 3ghc s SER 92 Cb 0.19 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.81 3ghc s SER 92 CO 0.53 -0.75 1.72 0.25 0.98 0.00 0.00 173.24 175.97 3ghc h LEU 93 N 2.00 0.74 -1.09 2.42 5.85 -2.00 -0.91 115.31 122.33 3ghc h LEU 93 Ca -0.25 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 3ghc h LEU 93 Cb 1.26 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 3ghc h LEU 93 CO 0.32 0.70 0.51 0.44 -0.34 0.00 0.00 178.44 180.07 3ghc h ASP 94 N 0.74 1.00 -0.52 1.25 3.45 -1.99 -0.36 116.42 119.99 3ghc h ASP 94 Ca 0.18 -0.05 -0.05 0.00 0.43 0.00 0.00 57.03 57.54 3ghc h ASP 94 Cb 0.18 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.68 3ghc h ASP 94 CO -0.02 0.76 0.12 0.44 -1.57 0.00 0.00 179.24 178.98 3ghc h ASP 95 N 1.16 0.78 -0.38 6.45 5.19 -1.88 -0.44 116.42 127.30 3ghc h ASP 95 Ca 0.30 -0.23 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 3ghc h ASP 95 Cb -0.06 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.22 3ghc h ASP 95 CO -0.06 0.81 0.23 0.00 -3.12 0.00 0.00 179.24 177.11 3ghc h ALA 96 N 1.00 0.48 -0.50 3.45 0.00 -0.41 -1.66 119.26 121.62 3ghc h ALA 96 Ca 0.16 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3ghc h ALA 96 Cb 0.34 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3ghc h ALA 96 CO 0.00 -0.03 -0.01 -0.07 0.00 0.00 0.00 179.25 179.14 3ghc h LEU 97 N 0.50 0.81 -1.49 0.00 3.38 -0.81 -2.34 115.31 115.36 3ghc h LEU 97 Ca 0.14 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3ghc h LEU 97 Cb -0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3ghc h LEU 97 CO -0.03 0.89 -0.02 0.11 0.09 0.00 0.00 178.44 179.48 3ghc h LYS 98 N 0.78 0.30 -0.01 1.13 1.57 -0.85 -2.40 116.57 117.10 3ghc h LYS 98 Ca 0.15 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3ghc h LYS 98 Cb 0.49 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3ghc h LYS 98 CO 0.02 0.35 -0.23 1.25 -0.57 0.00 0.00 179.45 180.27 3ghc h LEU 99 N 0.29 0.01 -1.81 2.94 6.46 -0.74 0.33 115.31 122.79 3ghc h LEU 99 Ca 0.07 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.82 3ghc h LEU 99 Cb 0.24 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.16 3ghc h LEU 99 CO 0.01 0.24 -0.02 0.71 -0.62 0.00 0.00 178.44 178.76 3ghc h THR 100 N 0.01 0.05 0.00 1.05 1.35 -1.29 -1.20 112.91 112.88 3ghc h THR 100 Ca 0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3ghc h THR 100 Cb 0.41 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 3ghc h THR 100 CO 0.03 0.02 -0.39 -0.62 -0.25 0.00 0.00 175.52 174.30 3ghc n GLU 101 N -3.13 0.22 -1.30 4.72 -0.58 0.10 -2.14 120.64 118.52 3ghc n GLU 101 Ca -0.00 0.10 -0.32 0.00 -0.42 0.00 0.00 57.16 56.52 3ghc n GLU 101 Cb 0.26 -1.68 0.09 0.00 -0.57 0.00 0.00 31.44 29.54 3ghc n GLU 101 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3ghc s GLN 102 N -3.11 2.21 0.42 3.49 -1.52 -0.45 -4.50 119.66 116.20 3ghc s GLN 102 Ca 0.09 1.30 0.13 0.00 -1.95 0.00 0.00 55.36 54.92 3ghc s GLN 102 Cb 0.14 -1.88 0.99 0.00 -0.22 0.00 0.00 33.01 32.04 3ghc s GLN 102 CO 0.67 -1.70 1.97 -1.35 -0.25 0.00 0.00 175.29 174.64 3ghc h PRO 103 N -0.93 0.44 0.00 2.91 0.11 -1.92 0.71 132.00 133.32 3ghc h PRO 103 Ca -0.44 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 3ghc h PRO 103 Cb 1.24 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3ghc h PRO 103 CO 0.51 0.29 -0.17 1.05 -0.21 0.00 0.00 178.00 179.46 3ghc h GLU 104 N 0.45 0.00 0.00 1.05 4.11 -1.92 -3.37 114.58 114.90 3ghc h GLU 104 Ca 0.28 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.71 3ghc h GLU 104 Cb 0.52 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3ghc h GLU 104 CO -0.08 0.17 -1.04 1.28 0.07 0.00 0.00 179.01 179.41 3ghc n LEU 105 N -3.95 0.00 -0.21 3.06 4.77 -0.62 -4.76 117.00 115.29 3ghc n LEU 105 Ca -0.02 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.98 3ghc n LEU 105 Cb 0.26 0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.42 3ghc n LEU 105 CO 0.33 0.01 0.37 0.00 -1.33 0.00 0.00 177.39 176.77 3ghc n ALA 106 N -1.91 0.08 0.07 -1.18 0.00 0.24 -0.31 120.51 117.50 3ghc n ALA 106 Ca -0.01 0.62 0.12 0.00 0.00 0.00 0.00 53.44 54.17 3ghc n ALA 106 Cb 0.41 -0.35 0.25 0.00 0.00 0.00 0.00 19.45 19.76 3ghc n ALA 106 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3ghc n ASN 107 N -4.92 3.64 -0.06 0.00 6.94 -1.26 -4.17 115.26 115.43 3ghc n ASN 107 Ca 0.08 -2.00 -0.04 0.00 -0.02 0.00 0.00 54.58 52.61 3ghc n ASN 107 Cb 0.27 -0.33 -0.12 0.00 -2.36 0.00 0.00 39.78 37.24 3ghc n ASN 107 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3ghc n LYS 108 N 1.55 1.32 -3.38 -3.83 5.02 0.57 -4.79 118.16 114.63 3ghc n LYS 108 Ca 0.21 -0.04 -0.38 0.00 -2.02 0.00 0.00 58.31 56.08 3ghc n LYS 108 Cb 0.61 -1.38 -0.08 0.00 -0.02 0.00 0.00 35.03 34.16 3ghc n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ghc s VAL 109 N -2.53 5.19 0.00 -0.18 1.01 -0.88 -1.16 120.40 121.85 3ghc s VAL 109 Ca -0.07 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.58 3ghc s VAL 109 Cb 0.06 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3ghc s VAL 109 CO 0.62 0.22 0.00 -0.67 0.00 0.00 0.00 175.10 175.27 3ghc n ASP 110 N 4.76 0.00 -4.85 3.32 4.64 -0.19 -4.07 116.55 120.15 3ghc n ASP 110 Ca -0.08 0.00 -0.32 0.00 -1.38 0.00 0.00 54.79 53.01 3ghc n ASP 110 Cb 0.51 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.53 3ghc n ASP 110 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 3ghc s MET 111 N 0.47 4.00 -0.16 -0.67 -1.94 -1.26 0.26 119.30 120.00 3ghc s MET 111 Ca 0.00 0.77 -0.04 0.00 -1.71 0.00 0.00 55.69 54.71 3ghc s MET 111 Cb 0.00 -2.33 -0.03 0.00 2.01 0.00 0.00 34.83 34.49 3ghc s MET 111 CO 0.00 0.02 -0.03 0.08 -0.01 0.00 0.00 175.02 175.08 3ghc s VAL 112 N -2.19 3.89 -0.25 -6.03 1.01 0.23 -1.01 120.40 116.04 3ghc s VAL 112 Ca 0.56 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 62.18 3ghc s VAL 112 Cb -0.10 -2.71 0.04 0.00 0.00 0.00 0.00 36.38 33.61 3ghc s VAL 112 CO 0.21 0.49 -0.08 0.26 0.00 0.00 0.00 175.10 175.98 3ghc s TRP 113 N 0.43 3.13 -0.14 5.22 0.52 0.64 -1.30 118.94 127.44 3ghc s TRP 113 Ca -0.04 -1.85 -0.26 0.00 0.02 0.00 0.00 56.10 53.98 3ghc s TRP 113 Cb -0.14 -2.02 -0.02 0.00 -1.15 0.00 0.00 33.47 30.15 3ghc s TRP 113 CO 0.03 -0.80 0.85 0.42 0.02 0.00 0.00 176.95 177.47 3ghc s ILE 114 N 1.24 4.88 -0.17 2.03 1.01 0.86 -0.82 121.20 130.23 3ghc s ILE 114 Ca -0.03 1.70 0.15 0.00 0.00 0.00 0.00 60.65 62.47 3ghc s ILE 114 Cb -0.18 -4.16 0.36 0.00 0.01 0.00 0.00 42.46 38.49 3ghc s ILE 114 CO -0.05 0.06 1.20 1.33 0.00 0.00 0.00 174.94 177.48 3ghc n VAL 115 N 4.55 2.07 0.00 2.92 0.24 -0.22 -1.76 118.33 126.12 3ghc n VAL 115 Ca 0.05 -2.71 0.00 0.00 -2.04 0.00 0.00 64.34 59.63 3ghc n VAL 115 Cb 0.49 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 3ghc n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ghc n GLY 116 N -1.26 0.27 0.00 7.63 0.00 -1.26 -4.92 105.19 105.65 3ghc n GLY 116 Ca 0.18 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.14 3ghc n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ghc n GLY 117 N -0.05 1.50 0.33 -0.02 0.00 -1.26 -0.34 105.19 105.35 3ghc n GLY 117 Ca 0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 46.02 44.29 3ghc n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ghc h SER 118 N 0.00 0.98 -0.52 1.61 0.02 -1.97 -1.45 113.55 112.21 3ghc h SER 118 Ca 0.00 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.82 3ghc h SER 118 Cb 0.00 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 3ghc h SER 118 CO 0.00 0.71 -0.07 -1.28 -1.14 0.00 0.00 176.83 175.05 3ghc h SER 119 N 1.15 0.98 -0.03 3.07 0.87 -1.95 -0.94 113.55 116.70 3ghc h SER 119 Ca 0.32 -0.30 -0.24 0.00 -1.23 0.00 0.00 61.79 60.33 3ghc h SER 119 Cb -0.12 -0.27 0.01 0.00 -0.44 0.00 0.00 62.40 61.58 3ghc h SER 119 CO -0.07 1.08 -0.89 -0.37 -0.53 0.00 0.00 176.83 176.04 3ghc h VAL 120 N 0.90 1.29 -0.52 2.23 -1.51 -1.80 -1.56 116.25 115.28 3ghc h VAL 120 Ca 0.15 -2.12 0.09 0.00 -1.23 0.00 0.00 66.70 63.59 3ghc h VAL 120 Cb 0.62 2.17 -0.07 0.00 -2.13 0.00 0.00 31.29 31.88 3ghc h VAL 120 CO 0.04 0.66 0.11 1.88 -1.23 0.00 0.00 177.57 179.03 3ghc h TYR 121 N 0.45 0.18 -0.49 5.19 0.99 -1.14 -0.78 116.97 121.36 3ghc h TYR 121 Ca -0.08 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.65 3ghc h TYR 121 Cb 1.53 -0.00 -0.02 0.00 1.00 0.00 0.00 36.73 39.24 3ghc h TYR 121 CO 0.09 -0.00 0.22 -0.22 -0.00 0.00 0.00 178.16 178.24 3ghc h LYS 122 N 0.25 0.73 -0.36 4.88 3.64 -0.97 -0.16 116.57 124.58 3ghc h LYS 122 Ca 0.26 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 3ghc h LYS 122 Cb 0.35 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3ghc h LYS 122 CO -0.33 0.63 -0.14 1.49 -2.27 0.00 0.00 179.45 178.83 3ghc h GLU 123 N 0.66 0.72 -0.69 1.90 4.81 -1.16 -2.64 114.58 118.18 3ghc h GLU 123 Ca 0.17 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3ghc h GLU 123 Cb 0.16 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 3ghc h GLU 123 CO -0.02 0.90 0.41 0.00 -0.73 0.00 0.00 179.01 179.58 3ghc h ALA 124 N 0.80 0.88 0.00 2.92 0.00 -0.91 -2.45 119.26 120.49 3ghc h ALA 124 Ca 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3ghc h ALA 124 Cb 0.67 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3ghc h ALA 124 CO 0.05 0.36 -0.10 0.52 0.00 0.00 0.00 179.25 180.07 3ghc h MET 125 N 0.94 0.00 -0.51 0.00 2.86 -0.78 -2.73 114.93 114.71 3ghc h MET 125 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3ghc h MET 125 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3ghc h MET 125 CO -0.05 0.10 0.00 -1.71 1.06 0.00 0.00 176.91 176.31 3ghc n ASN 126 N -3.42 3.41 -4.64 1.22 5.15 -0.95 -4.93 115.26 111.10 3ghc n ASN 126 Ca -0.01 -1.97 -0.39 0.00 -0.60 0.00 0.00 54.58 51.61 3ghc n ASN 126 Cb 0.26 -0.34 -0.08 0.00 -0.53 0.00 0.00 39.78 39.10 3ghc n ASN 126 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3ghc s HIS 127 N -1.06 3.32 0.48 1.20 2.46 -1.03 -5.03 115.29 115.62 3ghc s HIS 127 Ca 0.36 0.61 -0.21 0.00 0.47 0.00 0.00 55.06 56.29 3ghc s HIS 127 Cb 0.19 -2.62 -0.10 0.00 -0.13 0.00 0.00 32.58 29.93 3ghc s HIS 127 CO 0.26 -0.15 0.75 -0.35 -2.47 0.00 0.00 174.74 172.78 3ghc n PRO 128 N 5.01 0.86 0.00 2.88 -0.04 -1.26 -4.86 135.00 137.59 3ghc n PRO 128 Ca -0.06 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 3ghc n PRO 128 Cb 0.50 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 3ghc n PRO 128 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ghc n GLY 129 N 1.51 0.56 3.65 0.55 0.00 -1.26 -4.96 105.19 105.25 3ghc n GLY 129 Ca 0.11 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 3ghc n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ghc s HIS 130 N -0.66 3.33 -0.07 1.61 2.46 -1.26 -2.73 115.29 117.97 3ghc s HIS 130 Ca 0.00 1.26 -0.07 0.00 0.47 0.00 0.00 55.06 56.72 3ghc s HIS 130 Cb 0.00 -3.12 0.02 0.00 -0.13 0.00 0.00 32.58 29.34 3ghc s HIS 130 CO 0.00 -0.41 0.19 -1.17 -2.47 0.00 0.00 174.74 170.88 3ghc s LEU 131 N 2.91 1.28 0.13 8.88 2.96 -0.81 -4.49 118.68 129.53 3ghc s LEU 131 Ca 0.38 0.34 0.08 0.00 -0.22 0.00 0.00 54.13 54.71 3ghc s LEU 131 Cb -0.15 0.67 -0.04 0.00 0.50 0.00 0.00 46.19 47.17 3ghc s LEU 131 CO 0.07 -0.09 -0.11 -0.54 -1.32 0.00 0.00 176.35 174.36 3ghc s LYS 132 N -0.02 2.06 -0.17 1.98 1.02 -1.00 -1.11 119.74 122.50 3ghc s LYS 132 Ca -0.01 -1.11 0.01 0.00 0.02 0.00 0.00 55.97 54.87 3ghc s LYS 132 Cb -0.02 -2.24 0.01 0.00 -0.52 0.00 0.00 37.83 35.06 3ghc s LYS 132 CO 0.00 0.48 -0.19 -0.51 -0.92 0.00 0.00 175.35 174.22 3ghc s LEU 133 N -2.38 2.24 -0.46 3.17 1.43 0.13 -0.74 118.68 122.08 3ghc s LEU 133 Ca 0.22 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.60 3ghc s LEU 133 Cb -0.10 -1.50 0.08 0.00 0.03 0.00 0.00 46.19 44.69 3ghc s LEU 133 CO 0.14 0.04 0.35 -0.36 0.23 0.00 0.00 176.35 176.75 3ghc s PHE 134 N 1.08 3.28 -0.15 0.29 0.40 0.34 -0.57 117.98 122.66 3ghc s PHE 134 Ca -0.00 -1.17 -0.01 0.00 -0.60 0.00 0.00 56.93 55.15 3ghc s PHE 134 Cb -0.14 -3.13 -0.01 0.00 0.51 0.00 0.00 43.02 40.24 3ghc s PHE 134 CO -0.07 -0.83 -0.11 0.08 0.70 0.00 0.00 175.22 175.00 3ghc s VAL 135 N 1.56 3.15 -0.32 -0.44 1.01 -0.04 -1.42 120.40 123.91 3ghc s VAL 135 Ca 0.04 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 3ghc s VAL 135 Cb -0.24 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3ghc s VAL 135 CO 0.05 0.50 0.24 -0.89 0.00 0.00 0.00 175.10 175.00 3ghc s THR 136 N 0.64 5.28 -0.51 3.92 2.01 0.01 -0.91 115.64 126.08 3ghc s THR 136 Ca -0.06 -0.04 -0.23 0.00 0.31 0.00 0.00 61.69 61.67 3ghc s THR 136 Cb -0.15 -3.66 0.04 0.00 0.01 0.00 0.00 72.50 68.73 3ghc s THR 136 CO 0.03 0.07 0.85 -0.13 -0.69 0.00 0.00 174.62 174.75 3ghc s ARG 137 N 1.77 3.33 -0.32 4.92 1.81 0.33 -0.71 118.95 130.08 3ghc s ARG 137 Ca 0.07 -0.30 -0.25 0.00 -1.72 0.00 0.00 55.73 53.53 3ghc s ARG 137 Cb -0.17 -4.03 0.01 0.00 -0.45 0.00 0.00 34.95 30.31 3ghc s ARG 137 CO 0.11 -1.34 0.89 0.42 -0.68 0.00 0.00 175.30 174.70 3ghc s ILE 138 N 3.58 4.68 -0.39 1.52 -1.09 0.33 -1.27 121.20 128.56 3ghc s ILE 138 Ca 0.28 1.36 -0.03 0.00 -2.23 0.00 0.00 60.65 60.03 3ghc s ILE 138 Cb -0.13 -4.25 0.08 0.00 -1.58 0.00 0.00 42.46 36.58 3ghc s ILE 138 CO 0.19 -0.35 2.62 0.23 -1.23 0.00 0.00 174.94 176.40 3ghc n MET 139 N 6.47 2.22 -3.97 2.79 2.81 -0.07 -2.44 117.12 124.93 3ghc n MET 139 Ca 0.07 -2.06 -0.09 0.00 -1.81 0.00 0.00 57.70 53.80 3ghc n MET 139 Cb 0.48 -1.99 -0.08 0.00 -0.71 0.00 0.00 33.22 30.92 3ghc n MET 139 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3ghc s GLN 140 N -1.59 1.03 0.12 0.03 -0.21 -1.26 -4.85 119.66 112.94 3ghc s GLN 140 Ca 0.52 -1.16 -0.23 0.00 0.02 0.00 0.00 55.36 54.51 3ghc s GLN 140 Cb 0.34 0.34 -0.07 0.00 1.00 0.00 0.00 33.01 34.62 3ghc s GLN 140 CO -0.15 -0.35 0.70 -0.51 -2.12 0.00 0.00 175.29 172.86 3ghc s ASP 141 N -2.95 7.26 -0.02 5.90 1.01 -1.26 -1.33 116.67 125.27 3ghc s ASP 141 Ca 0.15 1.49 0.01 0.00 0.71 0.00 0.00 52.55 54.91 3ghc s ASP 141 Cb 0.04 -2.45 0.01 0.00 1.01 0.00 0.00 42.92 41.54 3ghc s ASP 141 CO -0.03 0.22 -0.04 -0.36 0.21 0.00 0.00 175.17 175.18 3ghc s PHE 142 N -1.05 0.52 0.15 4.23 0.08 -1.26 -4.98 117.98 115.67 3ghc s PHE 142 Ca 0.33 -0.10 -0.34 0.00 0.12 0.00 0.00 56.93 56.94 3ghc s PHE 142 Cb -0.22 -0.46 -0.15 0.00 -0.57 0.00 0.00 43.02 41.63 3ghc s PHE 142 CO 0.23 -0.10 1.51 -1.91 -0.10 0.00 0.00 175.22 174.85 3ghc n GLU 143 N 3.65 1.89 -3.96 0.44 2.13 -1.26 -4.79 120.64 118.74 3ghc n GLU 143 Ca -0.21 0.68 -0.09 0.00 0.66 0.00 0.00 57.16 58.20 3ghc n GLU 143 Cb 0.53 -2.41 -0.09 0.00 0.27 0.00 0.00 31.44 29.74 3ghc n GLU 143 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3ghc s SER 144 N 0.77 0.25 -0.01 4.31 0.01 -1.26 -4.76 113.70 113.01 3ghc s SER 144 Ca 0.80 -0.65 0.01 0.00 1.31 0.00 0.00 55.95 57.42 3ghc s SER 144 Cb -0.75 0.22 0.01 0.00 0.21 0.00 0.00 66.02 65.72 3ghc s SER 144 CO 0.41 -0.54 0.90 -0.90 0.41 0.00 0.00 173.24 173.52 3ghc n ASP 145 N 0.60 1.58 -3.77 2.44 5.68 0.40 -4.97 116.55 118.51 3ghc n ASP 145 Ca -0.18 -1.84 -0.13 0.00 -0.50 0.00 0.00 54.79 52.14 3ghc n ASP 145 Cb 0.59 -0.02 -0.14 0.00 -1.14 0.00 0.00 41.12 40.41 3ghc n ASP 145 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3ghc s THR 146 N -0.87 -0.04 0.08 2.12 -1.32 -0.97 -4.96 115.64 109.68 3ghc s THR 146 Ca 0.01 0.13 0.06 0.00 -1.21 0.00 0.00 61.69 60.69 3ghc s THR 146 Cb 0.01 -0.22 -0.03 0.00 -1.51 0.00 0.00 72.50 70.75 3ghc s THR 146 CO 0.00 0.05 -0.16 -0.36 -2.21 0.00 0.00 174.62 171.94 3ghc s PHE 147 N 0.87 1.38 0.30 9.09 0.40 -1.26 -0.75 117.98 128.02 3ghc s PHE 147 Ca -0.07 -0.44 -0.28 0.00 -0.60 0.00 0.00 56.93 55.53 3ghc s PHE 147 Cb -0.09 -0.77 -0.09 0.00 0.51 0.00 0.00 43.02 42.58 3ghc s PHE 147 CO -0.04 0.10 1.06 0.12 0.70 0.00 0.00 175.22 177.16 3ghc s PHE 148 N -1.23 3.58 0.90 0.36 5.36 0.27 -4.61 117.98 122.62 3ghc s PHE 148 Ca 0.01 1.72 -0.12 0.00 -0.96 0.00 0.00 56.93 57.58 3ghc s PHE 148 Cb -0.10 -3.20 0.13 0.00 -0.34 0.00 0.00 43.02 39.51 3ghc s PHE 148 CO 0.03 -0.40 1.09 -2.14 -1.46 0.00 0.00 175.22 172.34 3ghc s PRO 149 N -1.62 1.20 0.17 10.12 0.02 -1.26 -4.94 135.00 138.68 3ghc s PRO 149 Ca 0.47 0.75 -0.32 0.00 0.02 0.00 0.00 61.00 61.92 3ghc s PRO 149 Cb -0.29 -1.81 -0.10 0.00 0.02 0.00 0.00 34.50 32.32 3ghc s PRO 149 CO 0.37 -2.26 1.61 -2.00 -0.33 0.00 0.00 177.00 174.38 3ghc s GLU 150 N -4.96 4.20 -0.36 5.54 2.12 -1.26 -4.97 118.70 119.00 3ghc s GLU 150 Ca 0.63 2.41 -0.22 0.00 0.36 0.00 0.00 54.97 58.16 3ghc s GLU 150 Cb -0.18 -3.16 0.01 0.00 0.26 0.00 0.00 34.13 31.06 3ghc s GLU 150 CO 0.57 -0.64 0.70 0.42 -0.54 0.00 0.00 175.26 175.76 3ghc s ILE 151 N 1.23 4.82 -0.66 -3.70 1.01 -1.26 -5.03 121.20 117.61 3ghc s ILE 151 Ca 0.71 0.69 -0.27 0.00 0.00 0.00 0.00 60.65 61.78 3ghc s ILE 151 Cb -0.45 -4.14 0.03 0.00 0.01 0.00 0.00 42.46 37.91 3ghc s ILE 151 CO 0.31 -0.38 1.21 -0.62 0.00 0.00 0.00 174.94 175.47 3ghc s ASP 152 N 1.82 6.28 0.00 3.58 3.68 -1.26 -4.88 116.67 125.90 3ghc s ASP 152 Ca 0.27 -0.25 0.24 0.00 2.13 0.00 0.00 52.55 54.93 3ghc s ASP 152 Cb -0.14 -2.54 1.26 0.00 -1.45 0.00 0.00 42.92 40.05 3ghc s ASP 152 CO 0.16 -1.65 1.78 0.18 0.13 0.00 0.00 175.17 175.77 3ghc n LEU 153 N 8.84 0.00 0.00 -1.34 4.77 -1.26 -1.04 117.00 126.96 3ghc n LEU 153 Ca 0.05 0.19 -0.11 0.00 -0.03 0.00 0.00 56.01 56.11 3ghc n LEU 153 Cb 0.49 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 3ghc n LEU 153 CO 0.71 -0.05 0.42 -0.08 -1.33 0.00 0.00 177.39 177.06 3ghc h GLU 154 N 0.00 0.60 0.05 3.23 4.57 -2.03 -3.35 114.58 117.65 3ghc h GLU 154 Ca 0.00 -0.41 -0.36 0.00 -1.18 0.00 0.00 59.36 57.41 3ghc h GLU 154 Cb 0.15 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.75 3ghc h GLU 154 CO 0.00 1.03 -2.13 0.36 -1.18 0.00 0.00 179.01 177.09 3ghc n LYS 155 N -3.94 0.69 -3.06 1.92 2.85 -0.72 -4.80 118.16 111.10 3ghc n LYS 155 Ca -0.04 0.20 -0.43 0.00 -1.05 0.00 0.00 58.31 56.99 3ghc n LYS 155 Cb 0.65 -1.65 -0.06 0.00 -0.65 0.00 0.00 35.03 33.32 3ghc n LYS 155 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3ghc s TYR 156 N -2.55 2.98 -0.03 5.58 1.51 -0.21 -4.23 117.35 120.41 3ghc s TYR 156 Ca -0.20 -0.30 -0.28 0.00 -1.01 0.00 0.00 57.07 55.28 3ghc s TYR 156 Cb 0.07 -3.64 -0.03 0.00 -0.11 0.00 0.00 41.96 38.25 3ghc s TYR 156 CO 0.74 -1.08 0.90 0.15 -1.11 0.00 0.00 175.55 175.15 3ghc s LYS 157 N 3.02 4.52 -0.11 -0.62 -0.14 -0.35 -4.49 119.74 121.55 3ghc s LYS 157 Ca 0.21 1.26 -0.29 0.00 -1.36 0.00 0.00 55.97 55.78 3ghc s LYS 157 Cb -0.16 -3.46 -0.03 0.00 -1.68 0.00 0.00 37.83 32.49 3ghc s LYS 157 CO 0.15 -0.04 1.36 -1.17 -0.76 0.00 0.00 175.35 174.90 3ghc s LEU 158 N 1.02 4.24 0.19 3.17 2.96 -1.26 -0.97 118.68 128.02 3ghc s LEU 158 Ca 0.48 1.87 -0.27 0.00 -0.22 0.00 0.00 54.13 55.98 3ghc s LEU 158 Cb -0.20 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.87 3ghc s LEU 158 CO 0.25 -0.78 0.85 -0.76 -1.32 0.00 0.00 176.35 174.59 3ghc s LEU 159 N 3.40 4.60 0.00 -0.68 1.43 0.38 -4.95 118.68 122.87 3ghc s LEU 159 Ca 0.60 1.77 0.29 0.00 -1.03 0.00 0.00 54.13 55.76 3ghc s LEU 159 Cb -0.26 -3.44 1.58 0.00 0.03 0.00 0.00 46.19 44.10 3ghc s LEU 159 CO 0.20 0.16 2.03 -0.81 0.23 0.00 0.00 176.35 178.16 3ghc n PRO 160 N 1.70 0.63 -3.54 1.29 -0.04 -1.26 -4.71 135.00 129.07 3ghc n PRO 160 Ca -0.03 0.01 -0.08 0.00 -0.04 0.00 0.00 63.50 63.36 3ghc n PRO 160 Cb 0.48 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 3ghc n PRO 160 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3ghc s GLU 161 N -2.32 0.65 -0.25 0.54 -1.05 -1.26 -5.14 118.70 109.86 3ghc s GLU 161 Ca 0.34 -0.16 -0.14 0.00 -0.15 0.00 0.00 54.97 54.87 3ghc s GLU 161 Cb 0.20 0.30 0.08 0.00 -0.44 0.00 0.00 34.13 34.27 3ghc s GLU 161 CO 0.39 -0.27 0.62 -0.47 0.95 0.00 0.00 175.26 176.48 3ghc s TYR 162 N -2.49 -0.98 0.25 4.83 5.04 -1.26 -5.04 117.35 117.70 3ghc s TYR 162 Ca 0.04 1.95 -0.31 0.00 -2.44 0.00 0.00 57.07 56.31 3ghc s TYR 162 Cb -0.01 0.56 -0.12 0.00 0.35 0.00 0.00 41.96 42.74 3ghc s TYR 162 CO -0.06 -0.50 1.64 -2.30 -1.34 0.00 0.00 175.55 173.00 3ghc n PRO 163 N 4.42 2.69 -0.76 4.97 -0.02 -1.26 -1.83 135.00 143.22 3ghc n PRO 163 Ca -0.20 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3ghc n PRO 163 Cb 0.57 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 3ghc n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ghc n GLY 164 N 2.91 0.87 3.29 -1.23 0.00 -1.26 -5.01 105.19 104.76 3ghc n GLY 164 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3ghc n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ghc s VAL 165 N -3.45 3.27 0.45 1.61 1.01 -0.76 -5.08 120.40 117.45 3ghc s VAL 165 Ca 0.00 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.14 3ghc s VAL 165 Cb 0.00 -2.51 -0.08 0.00 0.00 0.00 0.00 36.38 33.78 3ghc s VAL 165 CO 0.00 0.39 1.42 -0.76 0.00 0.00 0.00 175.10 176.15 3ghc s LEU 166 N 1.45 4.11 -0.03 3.92 1.43 -1.26 -4.71 118.68 123.59 3ghc s LEU 166 Ca 0.05 2.91 0.22 0.00 -1.03 0.00 0.00 54.13 56.27 3ghc s LEU 166 Cb -0.15 -3.95 -0.33 0.00 0.03 0.00 0.00 46.19 41.80 3ghc s LEU 166 CO -0.04 -1.18 0.52 -1.20 0.23 0.00 0.00 176.35 174.68 3ghc n SER 167 N -0.21 0.09 -4.88 2.29 7.64 -1.26 -4.42 113.62 112.87 3ghc n SER 167 Ca 0.05 -0.09 -0.24 0.00 1.01 0.00 0.00 58.87 59.61 3ghc n SER 167 Cb 0.42 1.91 0.07 0.00 -1.01 0.00 0.00 64.21 65.59 3ghc n SER 167 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3ghc s ASP 168 N -4.38 4.86 0.05 6.43 3.84 -1.26 -4.89 116.67 121.32 3ghc s ASP 168 Ca -0.07 0.12 -0.31 0.00 -0.00 0.00 0.00 52.55 52.30 3ghc s ASP 168 Cb 0.14 -0.80 -0.06 0.00 -1.38 0.00 0.00 42.92 40.82 3ghc s ASP 168 CO 0.91 -1.50 1.27 -0.69 -0.00 0.00 0.00 175.17 175.16 3ghc s VAL 169 N -3.05 3.83 0.22 2.11 1.01 -1.26 -4.68 120.40 118.57 3ghc s VAL 169 Ca 0.60 1.29 0.04 0.00 0.00 0.00 0.00 61.98 63.91 3ghc s VAL 169 Cb -0.09 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3ghc s VAL 169 CO 0.42 0.08 0.35 -1.10 0.00 0.00 0.00 175.10 174.85 3ghc s GLN 170 N 1.37 3.45 -0.16 2.72 -1.52 0.47 -4.94 119.66 121.04 3ghc s GLN 170 Ca 0.61 -0.66 -0.10 0.00 -1.95 0.00 0.00 55.36 53.26 3ghc s GLN 170 Cb -0.31 -2.90 0.05 0.00 -0.22 0.00 0.00 33.01 29.64 3ghc s GLN 170 CO 0.28 0.44 0.40 -2.00 -0.25 0.00 0.00 175.29 174.16 3ghc s GLU 171 N -3.74 0.39 -0.06 2.91 2.12 -1.26 -0.84 118.70 118.22 3ghc s GLU 171 Ca 0.35 0.73 -0.04 0.00 0.36 0.00 0.00 54.97 56.37 3ghc s GLU 171 Cb -0.10 0.01 0.03 0.00 0.26 0.00 0.00 34.13 34.32 3ghc s GLU 171 CO 0.29 -0.14 0.14 -1.21 -0.54 0.00 0.00 175.26 173.80 3ghc s GLU 172 N 1.21 0.13 -1.69 4.30 2.02 -0.56 -4.87 118.70 119.24 3ghc s GLU 172 Ca -0.08 0.28 -0.02 0.00 0.02 0.00 0.00 54.97 55.18 3ghc s GLU 172 Cb -0.08 -0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.11 3ghc s GLU 172 CO -0.10 -0.09 0.19 1.63 0.02 0.00 0.00 175.26 176.91 3ghc n LYS 173 N 3.60 -2.72 -0.92 1.61 4.76 -1.26 -0.62 118.16 122.61 3ghc n LYS 173 Ca -0.19 0.96 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 3ghc n LYS 173 Cb 0.55 -5.69 0.00 0.00 -1.84 0.00 0.00 35.03 28.06 3ghc n LYS 173 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ghc n GLY 174 N -1.17 0.70 3.21 0.72 0.00 -1.26 -5.00 105.19 102.39 3ghc n GLY 174 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 3ghc n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ghc s ILE 175 N -2.72 2.88 0.28 -0.61 1.01 0.21 -5.10 121.20 117.14 3ghc s ILE 175 Ca 0.00 -0.97 -0.22 0.00 0.00 0.00 0.00 60.65 59.46 3ghc s ILE 175 Cb 0.00 -2.44 -0.09 0.00 0.01 0.00 0.00 42.46 39.94 3ghc s ILE 175 CO 0.00 0.23 0.82 -0.54 0.00 0.00 0.00 174.94 175.45 3ghc s LYS 176 N 1.34 4.35 0.17 2.79 1.02 -1.26 -1.50 119.74 126.65 3ghc s LYS 176 Ca 0.01 1.03 -0.15 0.00 0.02 0.00 0.00 55.97 56.88 3ghc s LYS 176 Cb -0.16 -2.78 0.02 0.00 -0.52 0.00 0.00 37.83 34.39 3ghc s LYS 176 CO -0.05 0.31 0.43 1.52 -0.92 0.00 0.00 175.35 176.64 3ghc s TYR 177 N -1.63 -0.00 0.03 3.18 -0.85 -0.02 -0.89 117.35 117.18 3ghc s TYR 177 Ca 0.47 -0.35 -0.08 0.00 -0.52 0.00 0.00 57.07 56.60 3ghc s TYR 177 Cb -0.16 0.24 -0.00 0.00 0.38 0.00 0.00 41.96 42.41 3ghc s TYR 177 CO 0.21 -0.81 0.16 -1.59 -1.52 0.00 0.00 175.55 172.00 3ghc s LYS 178 N -3.88 0.64 -0.03 -3.49 -2.85 -0.40 -0.39 119.74 109.34 3ghc s LYS 178 Ca 0.10 -0.64 -0.10 0.00 -1.00 0.00 0.00 55.97 54.33 3ghc s LYS 178 Cb 0.01 0.26 -0.05 0.00 -2.06 0.00 0.00 37.83 35.99 3ghc s LYS 178 CO -0.04 -0.17 0.29 -0.06 0.10 0.00 0.00 175.35 175.46 3ghc s PHE 179 N -2.44 3.63 0.02 1.78 0.40 -1.26 -0.51 117.98 119.60 3ghc s PHE 179 Ca -0.06 0.72 0.01 0.00 -0.60 0.00 0.00 56.93 56.99 3ghc s PHE 179 Cb -0.02 -2.09 -0.01 0.00 0.51 0.00 0.00 43.02 41.41 3ghc s PHE 179 CO -0.03 0.65 -0.03 -1.21 0.70 0.00 0.00 175.22 175.29 3ghc s GLU 180 N -1.33 0.29 -0.09 0.44 2.02 -0.08 -4.90 118.70 115.05 3ghc s GLU 180 Ca 0.23 -0.46 0.02 0.00 0.02 0.00 0.00 54.97 54.77 3ghc s GLU 180 Cb -0.14 -0.04 0.01 0.00 0.10 0.00 0.00 34.13 34.06 3ghc s GLU 180 CO 0.12 -0.00 -0.15 0.08 0.02 0.00 0.00 175.26 175.32 3ghc s VAL 181 N -1.00 1.42 0.14 2.63 1.01 -1.26 -0.86 120.40 122.48 3ghc s VAL 181 Ca -0.10 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.34 3ghc s VAL 181 Cb -0.07 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 3ghc s VAL 181 CO -0.00 0.42 -0.01 -0.31 0.00 0.00 0.00 175.10 175.19 3ghc s TYR 182 N 0.85 2.87 -0.02 5.22 1.51 0.27 -0.47 117.35 127.59 3ghc s TYR 182 Ca -0.10 -0.11 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 3ghc s TYR 182 Cb -0.15 -1.43 0.02 0.00 -0.11 0.00 0.00 41.96 40.28 3ghc s TYR 182 CO 0.01 0.49 0.01 -2.00 -1.11 0.00 0.00 175.55 172.95 3ghc s GLU 183 N -2.65 0.06 0.40 -0.62 2.12 -0.14 -0.69 118.70 117.17 3ghc s GLU 183 Ca 0.26 0.10 0.07 0.00 0.36 0.00 0.00 54.97 55.76 3ghc s GLU 183 Cb -0.10 -0.23 -0.08 0.00 0.26 0.00 0.00 34.13 33.98 3ghc s GLU 183 CO 0.18 -0.10 0.00 -1.59 -0.54 0.00 0.00 175.26 173.21 3ghc s LYS 184 N 0.71 1.93 -0.29 4.30 -2.85 -0.27 -1.22 119.74 122.06 3ghc s LYS 184 Ca -0.06 -2.08 0.03 0.00 -1.00 0.00 0.00 55.97 52.86 3ghc s LYS 184 Cb -0.09 -1.61 0.18 0.00 -2.06 0.00 0.00 37.83 34.25 3ghc s LYS 184 CO -0.02 -0.03 0.53 1.21 0.10 0.00 0.00 175.35 177.14 3ghc s ASN 185 N -3.69 -0.95 0.00 0.03 3.04 -1.26 -1.93 114.94 110.19 3ghc s ASN 185 Ca 0.35 0.18 0.00 0.00 0.04 0.00 0.00 52.86 53.43 3ghc s ASN 185 Cb 0.09 1.76 0.00 0.00 -1.54 0.00 0.00 41.25 41.56 3ghc s ASN 185 CO 0.18 -0.31 0.00 -0.90 -3.04 0.00 0.00 177.10 173.03