#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ghc n ALA 2 N 0.00 0.00 -1.00 -5.12 0.00 -1.26 -5.02 120.51 108.11 1ghc n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ghc n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ghc n ALA 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ghc n GLY 3 N -0.75 0.47 3.50 0.00 0.00 -1.26 -5.01 105.19 102.14 1ghc n GLY 3 Ca 0.00 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 1ghc n GLY 3 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ghc s PRO 4 N 0.00 3.76 1.18 1.61 0.04 -1.26 -4.78 135.00 135.55 1ghc s PRO 4 Ca 0.00 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.61 1ghc s PRO 4 Cb 0.00 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1ghc s PRO 4 CO 0.00 -0.10 0.00 0.43 0.04 0.00 0.00 177.00 177.37 1ghc n SER 5 N 4.69 0.00 -4.54 6.66 7.64 -1.26 -4.62 113.62 122.19 1ghc n SER 5 Ca -0.16 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.53 1ghc n SER 5 Cb 0.52 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.60 1ghc n SER 5 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1ghc n VAL 6 N 0.00 -0.01 0.00 0.44 0.31 -1.26 0.13 118.33 117.94 1ghc n VAL 6 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1ghc n VAL 6 Cb 0.00 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 1ghc n VAL 6 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1ghc n THR 7 N 7.67 0.00 -1.13 2.52 -2.24 -1.26 -4.46 114.28 115.38 1ghc n THR 7 Ca 0.53 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.36 1ghc n THR 7 Cb 0.33 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 68.80 1ghc n THR 7 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ghc n GLU 8 N 0.00 2.54 -0.04 -0.78 -0.58 0.21 -4.30 120.64 117.69 1ghc n GLU 8 Ca 0.00 -2.93 -0.06 0.00 -0.42 0.00 0.00 57.16 53.75 1ghc n GLU 8 Cb 0.00 -1.83 -0.03 0.00 -0.57 0.00 0.00 31.44 29.01 1ghc n GLU 8 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1ghc n LEU 9 N -0.74 2.18 -0.08 -4.62 7.94 0.35 -4.30 117.00 117.74 1ghc n LEU 9 Ca 0.25 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 55.04 1ghc n LEU 9 Cb 0.94 -0.23 -0.05 0.00 0.53 0.00 0.00 43.42 44.61 1ghc n LEU 9 CO 0.17 0.46 0.71 0.40 -1.11 0.00 0.00 177.39 178.02 1ghc h ILE 10 N -0.09 1.28 0.00 1.96 2.04 -1.77 -1.23 117.51 119.71 1ghc h ILE 10 Ca -0.16 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1ghc h ILE 10 Cb 1.21 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1ghc h ILE 10 CO -0.05 0.32 0.10 0.74 0.00 0.00 0.00 178.15 179.26 1ghc h THR 11 N 0.18 0.00 -0.12 -0.27 2.02 -1.83 0.25 112.91 113.15 1ghc h THR 11 Ca 0.06 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 67.02 1ghc h THR 11 Cb 0.51 0.74 0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1ghc h THR 11 CO 0.02 0.00 -0.79 0.11 0.37 0.00 0.00 175.52 175.24 1ghc h LYS 12 N 0.00 0.75 -0.00 6.66 1.57 -1.41 -2.87 116.57 121.27 1ghc h LYS 12 Ca 0.00 -0.64 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 1ghc h LYS 12 Cb 0.20 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1ghc h LYS 12 CO 0.00 1.25 -0.08 0.00 -0.57 0.00 0.00 179.45 180.04 1ghc n ALA 13 N -2.61 2.55 -0.33 3.86 0.00 0.70 -3.72 120.51 120.97 1ghc n ALA 13 Ca -0.08 -0.15 0.20 0.00 0.00 0.00 0.00 53.44 53.41 1ghc n ALA 13 Cb 0.75 -1.41 0.38 0.00 0.00 0.00 0.00 19.45 19.17 1ghc n ALA 13 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1ghc h VAL 14 N 0.02 0.07 0.00 0.00 3.04 -0.81 -2.19 116.25 116.39 1ghc h VAL 14 Ca 0.00 -0.02 -0.24 0.00 -1.01 0.00 0.00 66.70 65.43 1ghc h VAL 14 Cb 0.48 0.02 -0.05 0.00 -2.01 0.00 0.00 31.29 29.73 1ghc h VAL 14 CO 0.00 0.01 -1.91 -0.24 -1.01 0.00 0.00 177.57 174.42 1ghc n SER 15 N -5.36 1.93 -0.36 3.17 2.88 -1.25 -4.48 113.62 110.14 1ghc n SER 15 Ca 0.27 -0.02 0.28 0.00 -1.33 0.00 0.00 58.87 58.08 1ghc n SER 15 Cb 0.90 0.62 0.54 0.00 -0.75 0.00 0.00 64.21 65.52 1ghc n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ghc h ALA 16 N 0.53 2.21 -2.44 -1.46 0.00 -1.49 -3.37 119.26 113.24 1ghc h ALA 16 Ca -0.36 0.17 -0.54 0.00 0.00 0.00 0.00 54.91 54.18 1ghc h ALA 16 Cb 1.77 0.18 0.01 0.00 0.00 0.00 0.00 17.79 19.75 1ghc h ALA 16 CO 0.00 -0.84 0.82 -1.12 0.00 0.00 0.00 179.25 178.12 1ghc s SER 17 N -4.77 6.80 -1.38 0.00 0.01 -0.97 -4.90 113.70 108.50 1ghc s SER 17 Ca -0.09 2.24 -0.13 0.00 1.31 0.00 0.00 55.95 59.28 1ghc s SER 17 Cb 0.30 -2.57 0.08 0.00 0.21 0.00 0.00 66.02 64.05 1ghc s SER 17 CO 0.80 -0.72 2.04 0.29 0.41 0.00 0.00 173.24 176.05 1ghc n LYS 18 N 4.94 3.12 -4.11 12.44 5.02 -1.26 -4.88 118.16 133.44 1ghc n LYS 18 Ca 0.13 -2.99 -0.12 0.00 -2.02 0.00 0.00 58.31 53.31 1ghc n LYS 18 Cb 0.43 -3.20 -0.07 0.00 -0.02 0.00 0.00 35.03 32.16 1ghc n LYS 18 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1ghc s GLU 19 N 2.48 1.52 -0.28 1.97 2.12 -1.26 -5.07 118.70 120.18 1ghc s GLU 19 Ca 0.46 -1.54 0.11 0.00 0.36 0.00 0.00 54.97 54.35 1ghc s GLU 19 Cb 0.11 0.39 0.47 0.00 0.26 0.00 0.00 34.13 35.36 1ghc s GLU 19 CO -0.04 -0.59 1.17 2.89 -0.54 0.00 0.00 175.26 178.15 1ghc n ARG 20 N -0.40 3.18 -0.53 4.30 0.00 -1.26 -4.70 116.66 117.26 1ghc n ARG 20 Ca 0.01 -4.02 -0.02 0.00 -0.00 0.00 0.00 57.85 53.82 1ghc n ARG 20 Cb 0.63 -2.13 -0.02 0.00 -0.00 0.00 0.00 32.46 30.95 1ghc n ARG 20 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1ghc n LYS 21 N -0.69 0.00 -1.94 2.89 2.85 -1.26 -4.84 118.16 115.17 1ghc n LYS 21 Ca 0.36 -0.25 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 1ghc n LYS 21 Cb 0.93 0.17 0.00 0.00 -0.65 0.00 0.00 35.03 35.48 1ghc n LYS 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ghc n GLY 22 N 0.00 -0.35 5.32 2.58 0.00 -1.26 -3.24 105.19 108.24 1ghc n GLY 22 Ca -0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.97 1ghc n GLY 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ghc n LEU 23 N -1.85 0.00 -3.26 0.99 7.99 -1.26 -3.72 117.00 115.89 1ghc n LEU 23 Ca 0.00 0.14 -0.37 0.00 -0.01 0.00 0.00 56.01 55.77 1ghc n LEU 23 Cb 0.35 -0.49 0.01 0.00 -0.11 0.00 0.00 43.42 43.19 1ghc n LEU 23 CO 0.00 -0.65 1.15 -1.20 -1.51 0.00 0.00 177.39 175.18 1ghc n SER 24 N -3.85 6.71 -1.88 -1.43 7.64 -1.26 -4.64 113.62 114.91 1ghc n SER 24 Ca 0.00 -3.73 -0.03 0.00 1.01 0.00 0.00 58.87 56.12 1ghc n SER 24 Cb 0.06 -0.99 0.01 0.00 -1.01 0.00 0.00 64.21 62.29 1ghc n SER 24 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ghc n LEU 25 N -0.24 -2.82 0.00 -3.43 4.77 -1.24 -4.98 117.00 109.06 1ghc n LEU 25 Ca 0.45 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1ghc n LEU 25 Cb 0.31 -1.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 1ghc n LEU 25 CO 0.47 -0.01 0.00 0.00 -1.33 0.00 0.00 177.39 176.52 1ghc n ALA 26 N -1.79 0.14 0.01 -1.18 0.00 -1.26 -4.82 120.51 111.60 1ghc n ALA 26 Ca -0.01 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.65 1ghc n ALA 26 Cb 0.52 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.69 1ghc n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ghc h ALA 27 N 0.29 2.34 -1.96 0.00 0.00 -1.92 0.75 119.26 118.76 1ghc h ALA 27 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ghc h ALA 27 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ghc h ALA 27 CO 0.00 -0.85 0.00 -0.11 0.00 0.00 0.00 179.25 178.29 1ghc n LEU 28 N -3.77 1.74 0.12 0.00 7.94 -1.26 -3.02 117.00 118.75 1ghc n LEU 28 Ca 0.11 0.23 -0.01 0.00 -1.11 0.00 0.00 56.01 55.23 1ghc n LEU 28 Cb 0.78 -0.17 0.26 0.00 0.53 0.00 0.00 43.42 44.81 1ghc n LEU 28 CO 0.29 -0.17 0.66 0.11 -1.11 0.00 0.00 177.39 177.17 1ghc h LYS 29 N 0.00 0.15 0.00 1.96 6.56 -1.87 -1.48 116.57 121.89 1ghc h LYS 29 Ca 0.00 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1ghc h LYS 29 Cb 0.00 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1ghc h LYS 29 CO 0.00 0.54 0.00 -0.22 -2.06 0.00 0.00 179.45 177.71 1ghc h LYS 30 N 0.13 0.00 0.00 3.15 3.64 0.33 0.97 116.57 124.79 1ghc h LYS 30 Ca 0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1ghc h LYS 30 Cb 0.79 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1ghc h LYS 30 CO 0.06 0.00 -0.33 0.00 -2.27 0.00 0.00 179.45 176.91 1ghc h ALA 31 N 2.17 0.84 0.00 5.00 0.00 -1.18 -3.13 119.26 122.95 1ghc h ALA 31 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ghc h ALA 31 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ghc h ALA 31 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1ghc n LEU 32 N -2.96 0.00 0.33 0.00 4.77 0.34 -3.77 117.00 115.70 1ghc n LEU 32 Ca 0.03 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.06 1ghc n LEU 32 Cb 0.54 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.93 1ghc n LEU 32 CO 0.36 0.00 1.04 0.00 -1.33 0.00 0.00 177.39 177.46 1ghc h ALA 33 N 2.99 1.73 -4.16 -1.18 0.00 -1.63 -3.42 119.26 113.59 1ghc h ALA 33 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1ghc h ALA 33 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ghc h ALA 33 CO 0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 179.25 178.46 1ghc n ALA 34 N -1.64 -0.76 0.00 0.00 0.00 -1.25 0.24 120.51 117.11 1ghc n ALA 34 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1ghc n ALA 34 Cb 0.76 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1ghc n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ghc n GLY 35 N -0.45 1.91 0.07 0.00 0.00 -1.26 -4.29 105.19 101.18 1ghc n GLY 35 Ca -0.03 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 1ghc n GLY 35 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ghc h GLY 36 N 0.00 0.00 -3.55 -0.02 0.00 -1.63 -3.46 103.07 94.41 1ghc h GLY 36 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1ghc h GLY 36 CO 0.00 0.00 -0.78 -1.72 0.00 0.00 0.00 176.54 174.04 1ghc n TYR 37 N -4.61 -1.80 -1.79 5.60 4.02 0.66 -4.89 117.16 114.34 1ghc n TYR 37 Ca -0.12 0.44 0.00 0.00 -0.01 0.00 0.00 57.90 58.21 1ghc n TYR 37 Cb 0.35 -1.82 0.00 0.00 -0.02 0.00 0.00 39.34 37.85 1ghc n TYR 37 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1ghc n ASP 38 N 1.49 0.00 -2.16 7.72 5.75 -1.26 -3.92 116.55 124.17 1ghc n ASP 38 Ca 0.10 -1.19 -0.06 0.00 -0.01 0.00 0.00 54.79 53.63 1ghc n ASP 38 Cb 0.47 -0.04 -0.01 0.00 -1.03 0.00 0.00 41.12 40.52 1ghc n ASP 38 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1ghc n VAL 39 N 0.00 -0.20 0.00 2.12 0.24 -1.26 -4.57 118.33 114.66 1ghc n VAL 39 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ghc n VAL 39 Cb 0.54 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 32.18 1ghc n VAL 39 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1ghc n GLU 40 N -2.33 0.00 0.02 7.34 1.02 -1.26 -4.02 120.64 121.41 1ghc n GLU 40 Ca -0.06 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.15 1ghc n GLU 40 Cb 0.46 0.00 0.31 0.00 -0.02 0.00 0.00 31.44 32.19 1ghc n GLU 40 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ghc n LYS 41 N -0.96 0.03 -1.02 3.49 5.02 -1.26 -1.71 118.16 121.74 1ghc n LYS 41 Ca 0.00 0.31 0.04 0.00 -2.02 0.00 0.00 58.31 56.64 1ghc n LYS 41 Cb 0.00 -1.57 0.06 0.00 -0.02 0.00 0.00 35.03 33.50 1ghc n LYS 41 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ghc n ASN 42 N -1.63 0.99 0.00 4.39 3.02 -1.26 -4.79 115.26 115.98 1ghc n ASN 42 Ca 0.03 -2.40 0.04 0.00 -0.03 0.00 0.00 54.58 52.22 1ghc n ASN 42 Cb 0.16 -0.32 0.18 0.00 -0.61 0.00 0.00 39.78 39.18 1ghc n ASN 42 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ghc n ASN 43 N -0.02 0.00 0.00 6.41 5.15 -0.70 -1.43 115.26 124.67 1ghc n ASN 43 Ca 0.08 0.49 0.11 0.00 -0.60 0.00 0.00 54.58 54.65 1ghc n ASN 43 Cb 0.93 -0.49 0.55 0.00 -0.53 0.00 0.00 39.78 40.24 1ghc n ASN 43 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1ghc n SER 44 N -1.49 0.00 -0.00 1.20 7.64 -1.26 -1.43 113.62 118.27 1ghc n SER 44 Ca 0.02 -0.09 0.01 0.00 1.01 0.00 0.00 58.87 59.82 1ghc n SER 44 Cb 0.10 -0.26 -0.02 0.00 -1.01 0.00 0.00 64.21 63.02 1ghc n SER 44 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ghc n ARG 45 N -1.26 0.58 0.04 1.43 5.12 -0.51 -4.36 116.66 117.70 1ghc n ARG 45 Ca 0.11 -0.02 -0.18 0.00 -1.93 0.00 0.00 57.85 55.83 1ghc n ARG 45 Cb 0.16 -1.06 -0.14 0.00 -1.16 0.00 0.00 32.46 30.25 1ghc n ARG 45 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1ghc h ILE 46 N 0.00 0.96 0.00 0.55 5.03 -1.54 -1.13 117.51 121.39 1ghc h ILE 46 Ca -0.01 -2.64 0.00 0.00 -0.12 0.00 0.00 64.86 62.09 1ghc h ILE 46 Cb 0.27 2.66 0.00 0.00 -3.03 0.00 0.00 36.82 36.72 1ghc h ILE 46 CO 0.00 0.80 0.00 2.29 -0.68 0.00 0.00 178.15 180.56 1ghc n LYS 47 N -3.43 0.96 -0.06 2.37 2.85 -0.51 0.21 118.16 120.55 1ghc n LYS 47 Ca -0.21 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 56.94 1ghc n LYS 47 Cb 1.05 -1.38 -0.05 0.00 -0.65 0.00 0.00 35.03 33.99 1ghc n LYS 47 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ghc n LEU 48 N -0.88 2.24 0.17 -5.58 7.99 -1.22 -2.72 117.00 117.00 1ghc n LEU 48 Ca 0.18 0.02 0.13 0.00 -0.01 0.00 0.00 56.01 56.33 1ghc n LEU 48 Cb 0.08 -0.42 0.42 0.00 -0.11 0.00 0.00 43.42 43.39 1ghc n LEU 48 CO 0.13 0.55 0.88 1.23 -1.51 0.00 0.00 177.39 178.68 1ghc h GLY 49 N 0.43 0.00 0.00 -0.72 0.00 -1.16 -0.08 103.07 101.55 1ghc h GLY 49 Ca -0.30 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.87 1ghc h GLY 49 CO -0.10 0.00 -1.19 -0.10 0.00 0.00 0.00 176.54 175.14 1ghc n LEU 50 N -2.61 1.87 0.17 3.11 7.94 0.13 0.61 117.00 128.23 1ghc n LEU 50 Ca 0.03 0.46 0.19 0.00 -1.11 0.00 0.00 56.01 55.58 1ghc n LEU 50 Cb 0.38 -0.87 0.76 0.00 0.53 0.00 0.00 43.42 44.23 1ghc n LEU 50 CO 0.28 -0.02 1.16 0.50 -1.11 0.00 0.00 177.39 178.20 1ghc h LYS 51 N -1.00 0.00 0.00 1.96 1.63 -1.56 0.60 116.57 118.20 1ghc h LYS 51 Ca -0.23 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.39 1ghc h LYS 51 Cb 1.04 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.64 1ghc h LYS 51 CO -0.14 0.00 -1.94 0.45 -3.45 0.00 0.00 179.45 174.37 1ghc n SER 52 N -3.45 0.27 -0.01 4.20 2.88 -0.04 -3.36 113.62 114.11 1ghc n SER 52 Ca 0.04 0.12 -0.02 0.00 -1.33 0.00 0.00 58.87 57.68 1ghc n SER 52 Cb 0.54 1.07 -0.01 0.00 -0.75 0.00 0.00 64.21 65.06 1ghc n SER 52 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1ghc h LEU 53 N 0.00 -0.08 -0.13 2.46 -0.00 0.56 0.42 115.31 118.54 1ghc h LEU 53 Ca -0.24 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 1ghc h LEU 53 Cb 1.61 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.29 1ghc h LEU 53 CO 0.02 0.43 0.00 0.52 -0.00 0.00 0.00 178.44 179.42 1ghc n VAL 54 N -4.83 1.28 -0.08 1.22 0.31 -0.08 -1.56 118.33 114.59 1ghc n VAL 54 Ca -0.02 0.34 -0.12 0.00 -0.01 0.00 0.00 64.34 64.53 1ghc n VAL 54 Cb 0.06 -1.19 -0.04 0.00 -0.91 0.00 0.00 33.84 31.76 1ghc n VAL 54 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1ghc n SER 55 N -1.60 1.68 -0.64 4.52 7.64 -1.21 -4.17 113.62 119.84 1ghc n SER 55 Ca 0.02 0.28 0.49 0.00 1.01 0.00 0.00 58.87 60.67 1ghc n SER 55 Cb 0.12 -0.65 0.76 0.00 -1.01 0.00 0.00 64.21 63.44 1ghc n SER 55 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1ghc n LYS 56 N -4.15 -0.01 0.00 1.43 0.00 0.14 -4.70 118.16 110.87 1ghc n LYS 56 Ca -0.22 1.08 0.00 0.00 0.00 0.00 0.00 58.31 59.18 1ghc n LYS 56 Cb 0.54 -2.41 0.00 0.00 0.00 0.00 0.00 35.03 33.16 1ghc n LYS 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ghc n GLY 57 N -1.80 1.32 0.30 3.14 0.00 -1.21 -4.97 105.19 101.96 1ghc n GLY 57 Ca 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1ghc n GLY 57 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ghc h THR 58 N 0.00 0.22 -2.35 2.61 2.02 -1.83 -2.17 112.91 111.41 1ghc h THR 58 Ca 0.00 0.00 -0.66 0.00 0.77 0.00 0.00 66.41 66.52 1ghc h THR 58 Cb 0.00 0.22 -0.37 0.00 -1.74 0.00 0.00 68.15 66.26 1ghc h THR 58 CO 0.00 0.00 -0.12 -0.11 0.37 0.00 0.00 175.52 175.66 1ghc n LEU 59 N -5.48 5.00 0.00 2.58 7.94 -0.60 -1.25 117.00 125.19 1ghc n LEU 59 Ca 0.09 -5.48 0.01 0.00 -1.11 0.00 0.00 56.01 49.52 1ghc n LEU 59 Cb 0.38 -0.81 0.07 0.00 0.53 0.00 0.00 43.42 43.59 1ghc n LEU 59 CO -0.01 2.09 0.26 0.52 -1.11 0.00 0.00 177.39 179.14 1ghc n VAL 60 N 0.44 0.00 -0.41 1.96 0.31 -0.82 -3.98 118.33 115.83 1ghc n VAL 60 Ca 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 1ghc n VAL 60 Cb 0.37 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 1ghc n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ghc n GLN 61 N -0.87 0.00 -0.30 5.55 10.64 -1.26 -4.44 117.38 126.70 1ghc n GLN 61 Ca 0.02 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.21 1ghc n GLN 61 Cb 0.01 0.00 0.03 0.00 -0.86 0.00 0.00 30.24 29.42 1ghc n GLN 61 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1ghc n THR 62 N -0.03 0.43 -2.07 -0.39 -2.24 -1.19 -4.64 114.28 104.14 1ghc n THR 62 Ca 0.00 -0.50 -0.03 0.00 -2.27 0.00 0.00 64.05 61.25 1ghc n THR 62 Cb 0.00 0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 68.67 1ghc n THR 62 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ghc n LYS 63 N -0.31 -2.21 -2.08 -0.78 4.81 -1.13 -4.72 118.16 111.74 1ghc n LYS 63 Ca 0.03 0.01 -0.42 0.00 -0.87 0.00 0.00 58.31 57.06 1ghc n LYS 63 Cb 0.63 -3.13 -0.03 0.00 0.02 0.00 0.00 35.03 32.52 1ghc n LYS 63 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1ghc s GLY 64 N -1.51 1.78 0.00 3.14 0.00 -1.26 -2.71 107.32 106.76 1ghc s GLY 64 Ca 0.06 1.15 0.00 0.00 0.00 0.00 0.00 44.72 45.94 1ghc s GLY 64 CO 0.08 2.54 0.00 2.41 0.00 0.00 0.00 173.10 178.13 1ghc n THR 65 N 4.22 0.00 0.00 0.90 -1.04 -1.26 -3.93 114.28 113.17 1ghc n THR 65 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1ghc n THR 65 Cb 0.41 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 1ghc n THR 65 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ghc n GLY 66 N 0.00 0.59 0.15 3.41 0.00 -1.10 -4.92 105.19 103.32 1ghc n GLY 66 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1ghc n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ghc h ALA 67 N 0.00 1.00 0.00 4.61 0.00 -1.86 -3.46 119.26 119.55 1ghc h ALA 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ghc h ALA 67 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ghc h ALA 67 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 1ghc n SER 68 N -2.46 0.00 0.00 0.00 3.41 -1.26 -4.97 113.62 108.34 1ghc n SER 68 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1ghc n SER 68 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1ghc n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ghc n GLY 69 N 0.00 4.02 3.56 5.00 0.00 -1.26 -2.86 105.19 113.65 1ghc n GLY 69 Ca 0.00 -1.37 -0.38 0.00 0.00 0.00 0.00 46.02 44.27 1ghc n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ghc s SER 70 N 0.00 4.92 -0.86 1.61 0.15 -1.26 -4.19 113.70 114.07 1ghc s SER 70 Ca 0.00 0.88 -0.26 0.00 0.70 0.00 0.00 55.95 57.27 1ghc s SER 70 Cb 0.00 -2.51 -0.13 0.00 -1.71 0.00 0.00 66.02 61.67 1ghc s SER 70 CO 0.00 -2.55 2.27 -0.36 1.20 0.00 0.00 173.24 173.81 1ghc s PHE 71 N 10.39 1.29 0.00 3.44 0.08 -1.20 -3.19 117.98 128.79 1ghc s PHE 71 Ca 0.85 1.74 0.00 0.00 0.12 0.00 0.00 56.93 59.64 1ghc s PHE 71 Cb -0.17 -3.55 0.00 0.00 -0.57 0.00 0.00 43.02 38.73 1ghc s PHE 71 CO 0.25 -1.48 0.00 0.54 -0.10 0.00 0.00 175.22 174.44 1ghc n ARG 72 N 8.73 0.00 0.00 0.44 5.12 -1.26 -4.13 116.66 125.56 1ghc n ARG 72 Ca 0.45 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 56.42 1ghc n ARG 72 Cb 0.44 -0.33 0.00 0.00 -1.16 0.00 0.00 32.46 31.41 1ghc n ARG 72 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1ghc n LEU 73 N -1.37 0.00 -0.86 0.55 7.94 -1.26 -4.88 117.00 117.12 1ghc n LEU 73 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 1ghc n LEU 73 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 1ghc n LEU 73 CO 0.00 0.00 -0.11 -1.54 -1.11 0.00 0.00 177.39 174.63 1ghc n SER 74 N 0.00 -5.12 0.00 1.96 3.41 -0.38 -4.82 113.62 108.67 1ghc n SER 74 Ca 0.00 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1ghc n SER 74 Cb 0.00 -3.61 0.00 0.00 -0.26 0.00 0.00 64.21 60.34 1ghc n SER 74 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05