#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 0.00 -5.12 0.00 -1.26 -4.98 120.51 109.15 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 0.00 0.38 0.35 0.00 0.00 -1.26 -4.92 105.19 99.74 1ghc n GLY 3 Ca 0.00 0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.18 1ghc n GLY 3 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ghc n PRO 4 N 0.00 0.97 -4.43 1.61 -0.04 -1.26 -4.81 135.00 127.04 1ghc n PRO 4 Ca 0.00 -1.25 -0.24 0.00 -0.04 0.00 0.00 63.50 61.96 1ghc n PRO 4 Cb 0.00 -1.16 -0.08 0.00 -0.04 0.00 0.00 33.50 32.22 1ghc n PRO 4 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ghc n SER 5 N 0.37 0.72 -3.27 3.54 3.41 -1.26 -4.27 113.62 112.86 1ghc n SER 5 Ca 0.06 -3.24 -0.22 0.00 -0.26 0.00 0.00 58.87 55.21 1ghc n SER 5 Cb 0.25 1.24 -0.04 0.00 -0.26 0.00 0.00 64.21 65.40 1ghc n SER 5 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1ghc n VAL 6 N -0.87 0.00 0.00 -3.33 3.14 -1.26 -3.80 118.33 112.21 1ghc n VAL 6 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 1ghc n VAL 6 Cb 0.63 -0.25 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 1ghc n VAL 6 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1ghc n THR 7 N -2.87 0.00 0.03 1.55 -2.24 -1.26 -4.42 114.28 105.07 1ghc n THR 7 Ca 0.06 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.79 1ghc n THR 7 Cb 0.38 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.51 1ghc n THR 7 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ghc h GLU 8 N 0.00 0.00 0.13 -0.78 4.81 -1.74 -2.50 114.58 114.50 1ghc h GLU 8 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1ghc h GLU 8 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ghc h GLU 8 CO 0.00 0.57 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.72 1ghc h LEU 9 N 0.00 -0.15 -0.21 1.64 3.38 -1.82 0.62 115.31 118.77 1ghc h LEU 9 Ca -0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 1ghc h LEU 9 Cb 1.78 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 1ghc h LEU 9 CO 0.08 0.20 0.10 0.40 0.09 0.00 0.00 178.44 179.31 1ghc h ILE 10 N -0.51 1.14 0.00 1.22 2.04 -1.86 0.54 117.51 120.07 1ghc h ILE 10 Ca -0.02 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 1ghc h ILE 10 Cb 0.41 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1ghc h ILE 10 CO 0.03 0.14 -0.00 0.74 0.00 0.00 0.00 178.15 179.06 1ghc h THR 11 N 0.21 0.05 -0.01 -0.27 2.02 -1.37 0.20 112.91 113.74 1ghc h THR 11 Ca 0.07 -0.12 -0.20 0.00 0.77 0.00 0.00 66.41 66.94 1ghc h THR 11 Cb 0.13 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1ghc h THR 11 CO -0.01 0.00 -0.86 0.11 0.37 0.00 0.00 175.52 175.14 1ghc h LYS 12 N 0.00 0.25 -0.69 6.66 1.79 0.25 -2.49 116.57 122.34 1ghc h LYS 12 Ca -0.00 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1ghc h LYS 12 Cb 0.11 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1ghc h LYS 12 CO 0.00 0.97 0.00 0.00 -1.08 0.00 0.00 179.45 179.34 1ghc n ALA 13 N -2.48 3.06 0.19 3.86 0.00 0.62 -3.87 120.51 121.88 1ghc n ALA 13 Ca -0.04 -0.95 0.07 0.00 0.00 0.00 0.00 53.44 52.52 1ghc n ALA 13 Cb 0.79 -1.05 0.19 0.00 0.00 0.00 0.00 19.45 19.38 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 2.19 0.51 0.00 0.00 3.04 -0.84 -2.94 116.25 118.21 1ghc h VAL 14 Ca 0.00 -1.56 -0.01 0.00 -1.01 0.00 0.00 66.70 64.12 1ghc h VAL 14 Cb 1.12 2.12 -0.00 0.00 -2.01 0.00 0.00 31.29 32.52 1ghc h VAL 14 CO 0.20 0.27 -0.06 -1.28 -1.01 0.00 0.00 177.57 175.70 1ghc h SER 15 N 0.00 0.00 -0.11 3.17 0.87 -1.76 -1.73 113.55 113.98 1ghc h SER 15 Ca -0.00 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1ghc h SER 15 Cb 1.10 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1ghc h SER 15 CO 0.04 0.06 0.41 0.00 -0.53 0.00 0.00 176.83 176.80 1ghc h ALA 16 N 1.94 1.58 0.00 6.23 0.00 -1.81 -3.41 119.26 123.79 1ghc h ALA 16 Ca -0.00 -0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.44 1ghc h ALA 16 Cb 0.30 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 1ghc h ALA 16 CO 0.01 -0.46 1.52 -1.13 0.00 0.00 0.00 179.25 179.18 1ghc n SER 17 N -3.07 0.30 -1.38 0.00 3.41 -0.65 -4.56 113.62 107.66 1ghc n SER 17 Ca 0.01 0.20 -0.05 0.00 -0.26 0.00 0.00 58.87 58.77 1ghc n SER 17 Cb 0.48 -0.81 -0.01 0.00 -0.26 0.00 0.00 64.21 63.61 1ghc n SER 17 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1ghc n LYS 18 N 7.42 0.33 -0.74 4.33 4.81 -1.26 -4.92 118.16 128.13 1ghc n LYS 18 Ca 0.57 -0.95 0.00 0.00 -0.87 0.00 0.00 58.31 57.06 1ghc n LYS 18 Cb 0.02 0.47 -0.00 0.00 0.02 0.00 0.00 35.03 35.54 1ghc n LYS 18 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ghc n GLU 19 N -0.38 0.00 -1.11 1.64 4.07 -1.26 -4.96 120.64 118.64 1ghc n GLU 19 Ca -0.23 -0.98 -0.04 0.00 -0.06 0.00 0.00 57.16 55.85 1ghc n GLU 19 Cb 0.71 -0.21 -0.02 0.00 -0.06 0.00 0.00 31.44 31.86 1ghc n GLU 19 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1ghc n ARG 20 N 0.10 -0.32 0.00 5.31 0.63 -1.26 -4.62 116.66 116.50 1ghc n ARG 20 Ca -0.01 0.57 0.00 0.00 -0.92 0.00 0.00 57.85 57.49 1ghc n ARG 20 Cb 0.75 -4.20 0.00 0.00 0.45 0.00 0.00 32.46 29.46 1ghc n ARG 20 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1ghc n LYS 21 N -2.76 0.00 -0.42 -0.14 2.85 -1.26 -4.79 118.16 111.64 1ghc n LYS 21 Ca -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1ghc n LYS 21 Cb 0.14 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.52 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 -1.14 0.55 4.66 2.58 0.00 -1.26 0.22 105.19 110.80 1ghc n GLY 22 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.29 0.00 -3.05 0.99 4.77 -1.26 -4.63 117.00 113.53 1ghc n LEU 23 Ca 0.00 0.27 -0.18 0.00 -0.03 0.00 0.00 56.01 56.07 1ghc n LEU 23 Cb 0.14 -0.76 -0.02 0.00 -2.33 0.00 0.00 43.42 40.45 1ghc n LEU 23 CO 0.00 -0.93 -0.11 -1.54 -1.33 0.00 0.00 177.39 173.48 1ghc n SER 24 N -1.47 -0.54 -2.11 -1.43 3.41 -1.26 -4.84 113.62 105.38 1ghc n SER 24 Ca 0.00 -3.01 -0.12 0.00 -0.26 0.00 0.00 58.87 55.49 1ghc n SER 24 Cb 0.11 0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 1ghc n SER 24 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1ghc n LEU 25 N 1.05 -1.04 0.00 1.04 7.94 -1.26 -4.66 117.00 120.07 1ghc n LEU 25 Ca 0.18 0.23 0.00 0.00 -1.11 0.00 0.00 56.01 55.31 1ghc n LEU 25 Cb 0.60 -2.03 0.00 0.00 0.53 0.00 0.00 43.42 42.52 1ghc n LEU 25 CO 0.14 -0.28 0.00 0.00 -1.11 0.00 0.00 177.39 176.15 1ghc n ALA 26 N -1.44 2.37 -0.02 1.96 0.00 -1.26 -4.80 120.51 117.32 1ghc n ALA 26 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 1ghc n ALA 26 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 -0.04 -0.52 0.00 0.00 -1.95 -0.03 119.26 116.73 1ghc h ALA 27 Ca 0.00 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1ghc h ALA 27 Cb 0.00 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 1ghc h ALA 27 CO 0.00 -0.59 -0.45 1.25 0.00 0.00 0.00 179.25 179.46 1ghc h LEU 28 N -0.17 -1.58 -2.20 0.00 6.46 -1.91 0.55 115.31 116.46 1ghc h LEU 28 Ca 0.11 0.22 -0.00 0.00 -0.12 0.00 0.00 57.88 58.09 1ghc h LEU 28 Cb 0.32 0.67 -0.00 0.00 -0.73 0.00 0.00 40.66 40.92 1ghc h LEU 28 CO -0.27 -0.26 -0.01 0.11 -0.62 0.00 0.00 178.44 177.39 1ghc h LYS 29 N -0.19 0.00 -0.28 1.25 1.57 -1.77 -0.67 116.57 116.49 1ghc h LYS 29 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1ghc h LYS 29 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1ghc h LYS 29 CO -0.59 0.01 0.00 1.63 -0.57 0.00 0.00 179.45 179.94 1ghc n LYS 30 N -4.18 1.47 -0.07 3.15 4.76 0.18 -3.28 118.16 120.19 1ghc n LYS 30 Ca -0.03 -0.63 -0.07 0.00 -2.87 0.00 0.00 58.31 54.71 1ghc n LYS 30 Cb 0.10 -1.21 -0.12 0.00 -1.84 0.00 0.00 35.03 31.96 1ghc n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ghc n ALA 31 N 0.02 1.64 0.28 7.82 0.00 -0.26 -4.25 120.51 125.77 1ghc n ALA 31 Ca 0.06 -0.97 0.18 0.00 0.00 0.00 0.00 53.44 52.71 1ghc n ALA 31 Cb 0.19 -0.06 0.76 0.00 0.00 0.00 0.00 19.45 20.34 1ghc n ALA 31 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ghc h LEU 32 N 0.00 0.00 -2.72 0.00 -0.00 -1.58 -2.72 115.31 108.28 1ghc h LEU 32 Ca -0.40 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.37 1ghc h LEU 32 Cb 1.90 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 42.50 1ghc h LEU 32 CO 0.02 0.01 0.15 0.00 -0.00 0.00 0.00 178.44 178.62 1ghc n ALA 33 N -2.10 3.66 -1.88 1.53 0.00 -1.25 -4.02 120.51 116.46 1ghc n ALA 33 Ca -0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 53.44 52.76 1ghc n ALA 33 Cb 0.27 -1.12 0.12 0.00 0.00 0.00 0.00 19.45 18.73 1ghc n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ghc n ALA 34 N 0.51 4.06 0.00 0.00 0.00 -1.03 -4.53 120.51 119.53 1ghc n ALA 34 Ca 0.12 -3.41 0.00 0.00 0.00 0.00 0.00 53.44 50.15 1ghc n ALA 34 Cb 0.65 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.84 -1.67 1.84 0.00 0.00 -1.26 -5.00 105.19 98.27 1ghc n GLY 35 Ca 0.27 0.82 -0.03 0.00 0.00 0.00 0.00 46.02 47.08 1ghc n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ghc n GLY 36 N 0.00 0.44 0.00 -0.02 0.00 -1.26 -5.05 105.19 99.30 1ghc n GLY 36 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1ghc n GLY 36 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ghc n TYR 37 N -1.79 0.00 -1.10 1.61 4.02 -1.26 -4.95 117.16 113.69 1ghc n TYR 37 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1ghc n TYR 37 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 1ghc n TYR 37 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1ghc n ASP 38 N 0.00 0.06 -2.06 7.72 2.03 -1.26 -3.76 116.55 119.27 1ghc n ASP 38 Ca 0.00 -1.16 -0.06 0.00 0.52 0.00 0.00 54.79 54.09 1ghc n ASP 38 Cb 0.00 -0.03 -0.01 0.00 -0.72 0.00 0.00 41.12 40.36 1ghc n ASP 38 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1ghc n VAL 39 N -0.02 -0.20 0.00 5.18 0.24 -1.26 -4.49 118.33 117.78 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 0.52 -0.79 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 1ghc n VAL 39 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1ghc n GLU 40 N -2.26 0.00 0.02 7.34 2.13 -1.26 -3.88 120.64 122.73 1ghc n GLU 40 Ca -0.07 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.84 1ghc n GLU 40 Cb 0.44 0.00 0.37 0.00 0.27 0.00 0.00 31.44 32.52 1ghc n GLU 40 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1ghc n LYS 41 N -1.37 0.03 -0.27 5.31 3.00 -1.26 -1.76 118.16 121.83 1ghc n LYS 41 Ca 0.00 0.24 0.05 0.00 -0.00 0.00 0.00 58.31 58.60 1ghc n LYS 41 Cb 0.00 -1.55 0.06 0.00 0.00 0.00 0.00 35.03 33.54 1ghc n LYS 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1ghc n ASN 42 N -1.61 1.13 0.15 3.14 3.02 -1.26 -4.76 115.26 115.06 1ghc n ASN 42 Ca 0.04 -2.47 0.02 0.00 -0.03 0.00 0.00 54.58 52.14 1ghc n ASN 42 Cb 0.20 -0.29 0.34 0.00 -0.61 0.00 0.00 39.78 39.42 1ghc n ASN 42 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ghc h ASN 43 N 0.00 0.12 0.28 6.41 -0.00 -1.45 -1.09 115.58 119.85 1ghc h ASN 43 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.26 1ghc h ASN 43 Cb 1.18 -0.03 0.00 0.00 -0.00 0.00 0.00 38.32 39.47 1ghc h ASN 43 CO 0.00 0.43 0.00 -0.24 -0.00 0.00 0.00 177.43 177.62 1ghc n SER 44 N -4.14 0.00 -0.00 6.14 2.88 -1.26 -1.63 113.62 115.60 1ghc n SER 44 Ca -0.01 0.23 0.04 0.00 -1.33 0.00 0.00 58.87 57.79 1ghc n SER 44 Cb 0.37 -0.35 -0.05 0.00 -0.75 0.00 0.00 64.21 63.43 1ghc n SER 44 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ghc n ARG 45 N -1.35 2.46 -0.05 -1.46 1.74 -0.46 -4.34 116.66 113.21 1ghc n ARG 45 Ca 0.05 -0.03 -0.22 0.00 -0.77 0.00 0.00 57.85 56.88 1ghc n ARG 45 Cb 0.11 -1.00 -0.13 0.00 -1.02 0.00 0.00 32.46 30.42 1ghc n ARG 45 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1ghc n ILE 46 N -1.46 1.67 1.34 0.55 -0.00 -0.85 -1.12 119.36 119.49 1ghc n ILE 46 Ca 0.00 -0.41 0.11 0.00 -0.00 0.00 0.00 62.75 62.45 1ghc n ILE 46 Cb 0.15 -1.84 0.65 0.00 -0.00 0.00 0.00 39.64 38.60 1ghc n ILE 46 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1ghc n LYS 47 N -3.86 0.63 -0.07 0.38 5.02 -0.65 0.65 118.16 120.28 1ghc n LYS 47 Ca -0.34 0.02 -0.12 0.00 -2.02 0.00 0.00 58.31 55.84 1ghc n LYS 47 Cb 0.90 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.36 1ghc n LYS 47 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ghc n LEU 48 N -1.05 2.02 0.07 -0.35 4.32 -1.25 -2.53 117.00 118.23 1ghc n LEU 48 Ca 0.16 0.05 0.10 0.00 -0.02 0.00 0.00 56.01 56.29 1ghc n LEU 48 Cb 0.09 -0.44 0.41 0.00 -1.62 0.00 0.00 43.42 41.87 1ghc n LEU 48 CO 0.13 0.51 0.80 0.61 -1.22 0.00 0.00 177.39 178.23 1ghc n GLY 49 N 2.50 -1.16 0.13 -0.72 0.00 -0.28 -0.35 105.19 105.32 1ghc n GLY 49 Ca -0.26 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 1ghc n GLY 49 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ghc n LEU 50 N -1.91 1.91 0.12 0.99 7.94 0.21 -0.53 117.00 125.73 1ghc n LEU 50 Ca 0.03 0.32 0.19 0.00 -1.11 0.00 0.00 56.01 55.44 1ghc n LEU 50 Cb 0.20 -0.73 0.67 0.00 0.53 0.00 0.00 43.42 44.09 1ghc n LEU 50 CO 0.17 -0.18 1.17 0.50 -1.11 0.00 0.00 177.39 177.94 1ghc h LYS 51 N -0.97 0.00 0.04 1.96 1.63 -1.51 1.61 116.57 119.34 1ghc h LYS 51 Ca -0.09 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.38 1ghc h LYS 51 Cb 1.05 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.63 1ghc h LYS 51 CO -0.05 0.00 -1.96 -1.13 -3.45 0.00 0.00 179.45 172.86 1ghc n SER 52 N -3.36 1.28 0.07 4.20 3.41 0.53 -2.76 113.62 116.99 1ghc n SER 52 Ca 0.07 0.25 -0.03 0.00 -0.26 0.00 0.00 58.87 58.90 1ghc n SER 52 Cb 0.72 -0.23 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 1ghc n SER 52 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ghc h LEU 53 N 0.02 -0.17 0.00 1.04 -0.00 0.47 0.75 115.31 117.43 1ghc h LEU 53 Ca -0.39 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 1ghc h LEU 53 Cb 2.04 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 42.75 1ghc h LEU 53 CO 0.06 -0.05 0.00 0.52 -0.00 0.00 0.00 178.44 178.97 1ghc n VAL 54 N -2.96 0.00 -1.01 1.22 0.31 0.13 -1.88 118.33 114.13 1ghc n VAL 54 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1ghc n VAL 54 Cb 0.08 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 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 -0.89 0.00 -0.08 4.52 7.64 -1.11 -4.19 113.62 119.51 1ghc n SER 55 Ca 0.04 -1.00 -0.05 0.00 1.01 0.00 0.00 58.87 58.87 1ghc n SER 55 Cb 0.02 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.06 1ghc n SER 55 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1ghc n LYS 56 N 0.00 0.70 0.00 1.43 -0.00 0.26 -4.89 118.16 115.66 1ghc n LYS 56 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 1ghc n LYS 56 Cb 0.37 -1.52 0.00 0.00 -0.00 0.00 0.00 35.03 33.89 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 1.64 0.50 0.00 2.58 0.00 -1.25 -5.03 105.19 103.64 1ghc n GLY 57 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1ghc n GLY 57 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ghc n THR 58 N 0.00 0.00 -2.61 2.61 -1.04 -1.22 -4.37 114.28 107.64 1ghc n THR 58 Ca 0.00 0.71 -0.43 0.00 -2.04 0.00 0.00 64.05 62.29 1ghc n THR 58 Cb 0.00 -1.65 -0.02 0.00 -1.82 0.00 0.00 70.33 66.84 1ghc n THR 58 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1ghc s LEU 59 N -3.78 3.84 -0.97 -4.42 1.02 -0.79 0.46 118.68 114.05 1ghc s LEU 59 Ca 0.00 0.88 -0.18 0.00 0.02 0.00 0.00 54.13 54.86 1ghc s LEU 59 Cb 0.00 -3.55 0.15 0.00 0.02 0.00 0.00 46.19 42.81 1ghc s LEU 59 CO 0.00 -1.01 1.15 0.68 0.02 0.00 0.00 176.35 177.19 1ghc s VAL 60 N 3.94 4.85 0.14 -1.59 -7.23 0.15 -4.16 120.40 116.51 1ghc s VAL 60 Ca 0.47 -1.82 -0.25 0.00 -1.81 0.00 0.00 61.98 58.56 1ghc s VAL 60 Cb -0.11 -4.77 -0.07 0.00 0.56 0.00 0.00 36.38 31.98 1ghc s VAL 60 CO 0.21 -1.49 0.78 0.00 -0.31 0.00 0.00 175.10 174.29 1ghc s GLN 61 N 2.29 4.56 -1.07 4.82 -2.07 -1.24 -3.48 119.66 123.47 1ghc s GLN 61 Ca 0.33 1.15 -0.05 0.00 -1.82 0.00 0.00 55.36 54.98 1ghc s GLN 61 Cb -0.05 -3.28 0.30 0.00 -1.09 0.00 0.00 33.01 28.89 1ghc s GLN 61 CO -0.08 0.51 1.35 0.25 -1.32 0.00 0.00 175.29 176.00 1ghc n THR 62 N 1.83 4.98 -2.85 3.63 -2.24 -1.25 -4.64 114.28 113.76 1ghc n THR 62 Ca -0.05 -5.76 -0.43 0.00 -2.27 0.00 0.00 64.05 55.54 1ghc n THR 62 Cb 0.49 -2.21 -0.01 0.00 -2.10 0.00 0.00 70.33 66.49 1ghc n THR 62 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ghc s LYS 63 N -2.38 3.85 0.02 -0.78 2.20 -1.26 -1.46 119.74 119.93 1ghc s LYS 63 Ca 0.31 -2.05 0.00 0.00 -0.36 0.00 0.00 55.97 53.87 1ghc s LYS 63 Cb 0.01 -5.11 0.00 0.00 -1.51 0.00 0.00 37.83 31.22 1ghc s LYS 63 CO 0.05 -1.89 0.00 0.41 -0.36 0.00 0.00 175.35 173.56 1ghc n GLY 64 N 5.08 0.02 3.76 5.54 0.00 -1.26 -4.83 105.19 113.50 1ghc n GLY 64 Ca 0.34 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.98 1ghc n GLY 64 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ghc s THR 65 N -1.14 5.11 -0.88 2.61 -1.32 -1.26 -4.02 115.64 114.74 1ghc s THR 65 Ca 0.00 0.92 0.00 0.00 -1.21 0.00 0.00 61.69 61.40 1ghc s THR 65 Cb 0.00 -3.79 0.00 0.00 -1.51 0.00 0.00 72.50 67.20 1ghc s THR 65 CO 0.00 0.41 0.00 0.61 -2.21 0.00 0.00 174.62 173.43 1ghc n GLY 66 N 2.77 0.50 3.96 6.08 0.00 -1.26 -2.05 105.19 115.18 1ghc n GLY 66 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1ghc n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ghc n ALA 67 N -0.58 -2.61 0.09 4.61 0.00 -1.26 -4.85 120.51 115.91 1ghc n ALA 67 Ca -0.09 -0.49 -0.17 0.00 0.00 0.00 0.00 53.44 52.69 1ghc n ALA 67 Cb 0.36 -2.98 -0.10 0.00 0.00 0.00 0.00 19.45 16.74 1ghc n ALA 67 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ghc h SER 68 N -2.38 0.60 -3.40 0.00 0.87 -1.58 -3.47 113.55 104.18 1ghc h SER 68 Ca -0.70 -0.55 0.37 0.00 -1.23 0.00 0.00 61.79 59.68 1ghc h SER 68 Cb 1.39 -0.19 -0.13 0.00 -0.44 0.00 0.00 62.40 63.04 1ghc h SER 68 CO 0.50 1.38 -0.75 0.61 -0.53 0.00 0.00 176.83 178.04 1ghc n GLY 69 N 1.25 -2.36 0.00 5.77 0.00 -0.53 -4.90 105.19 104.42 1ghc n GLY 69 Ca -0.09 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1ghc n GLY 69 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ghc n SER 70 N -4.25 0.00 -4.60 1.61 2.88 -1.26 -4.28 113.62 103.73 1ghc n SER 70 Ca -0.02 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.09 1ghc n SER 70 Cb 0.66 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.09 1ghc n SER 70 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1ghc s PHE 71 N 0.00 2.35 -1.39 0.66 0.08 0.13 -3.60 117.98 116.22 1ghc s PHE 71 Ca 0.00 0.64 0.13 0.00 0.12 0.00 0.00 56.93 57.82 1ghc s PHE 71 Cb 0.00 -4.32 0.21 0.00 -0.57 0.00 0.00 43.02 38.34 1ghc s PHE 71 CO 0.00 -2.01 1.07 0.54 -0.10 0.00 0.00 175.22 174.72 1ghc n ARG 72 N 8.21 1.65 0.00 0.44 1.74 -1.23 -4.39 116.66 123.08 1ghc n ARG 72 Ca 0.16 -1.63 0.00 0.00 -0.77 0.00 0.00 57.85 55.61 1ghc n ARG 72 Cb 0.48 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 1ghc n ARG 72 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1ghc n LEU 73 N 0.71 0.00 0.16 0.55 -0.00 -1.26 -4.55 117.00 112.61 1ghc n LEU 73 Ca 0.10 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 56.00 1ghc n LEU 73 Cb 0.38 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.73 1ghc n LEU 73 CO 0.09 0.00 0.36 -1.28 -0.00 0.00 0.00 177.39 176.55 1ghc h SER 74 N 0.90 -0.40 -0.03 1.96 0.87 -0.19 0.46 113.55 117.13 1ghc h SER 74 Ca 0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1ghc h SER 74 Cb 0.00 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1ghc h SER 74 CO 0.00 0.05 0.00 2.29 -0.53 0.00 0.00 176.83 178.64