#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ftf s ILE 3004N 0.00 4.19 0.00 3.17 1.01 -1.26 -0.43 121.20 127.88 1ftf s ILE 3004Ca 0.00 1.95 0.00 0.00 0.00 0.00 0.00 60.65 62.60 1ftf s ILE 3004Cb 0.00 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1ftf s ILE 3004CO 0.00 0.36 0.49 1.33 0.00 0.00 0.00 174.94 177.12 1ftf n VAL 3005N 2.24 0.08 -3.62 2.92 0.24 0.75 -4.90 118.33 116.04 1ftf n VAL 3005Ca 0.01 -0.48 -0.04 0.00 -2.04 0.00 0.00 64.34 61.79 1ftf n VAL 3005Cb 0.48 1.06 -0.04 0.00 -1.47 0.00 0.00 33.84 33.88 1ftf n VAL 3005CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ftf s GLY 3006N -0.08 -0.11 -0.20 7.63 0.00 -1.13 -4.94 107.32 108.50 1ftf s GLY 3006Ca 0.00 2.27 -0.11 0.00 0.00 0.00 0.00 44.72 46.88 1ftf s GLY 3006CO 0.00 0.89 0.48 -1.58 0.00 0.00 0.00 173.10 172.89 1ftf s HIS 3007N -1.52 -0.72 -0.08 1.90 5.04 -1.25 -0.31 115.29 118.35 1ftf s HIS 3007Ca 0.07 1.50 -0.12 0.00 -1.54 0.00 0.00 55.06 54.97 1ftf s HIS 3007Cb -0.01 0.36 0.03 0.00 0.04 0.00 0.00 32.58 33.00 1ftf s HIS 3007CO -0.05 -0.39 0.31 0.20 -2.34 0.00 0.00 174.74 172.47 1ftf s GLY 3008N 1.51 -0.20 0.26 1.59 0.00 0.02 -4.25 107.32 106.26 1ftf s GLY 3008Ca -0.09 0.64 0.03 0.00 0.00 0.00 0.00 44.72 45.30 1ftf s GLY 3008CO -0.15 0.48 0.03 -0.26 0.00 0.00 0.00 173.10 173.21 1ftf s ILE 3009N -0.47 0.99 -0.23 0.90 -4.36 -1.26 0.17 121.20 116.94 1ftf s ILE 3009Ca -0.06 -2.02 -0.23 0.00 -0.26 0.00 0.00 60.65 58.08 1ftf s ILE 3009Cb -0.04 -2.52 0.06 0.00 1.25 0.00 0.00 42.46 41.22 1ftf s ILE 3009CO 0.02 -0.18 0.66 -0.62 0.24 0.00 0.00 174.94 175.06 1ftf s ASP 3010N -3.36 -0.68 -0.05 4.36 2.15 -0.17 -4.56 116.67 114.37 1ftf s ASP 3010Ca 0.32 1.28 0.05 0.00 0.43 0.00 0.00 52.55 54.64 1ftf s ASP 3010Cb 0.07 1.29 -0.01 0.00 -0.30 0.00 0.00 42.92 43.97 1ftf s ASP 3010CO 0.11 -0.25 -0.21 -0.51 -0.17 0.00 0.00 175.17 174.14 1ftf s ILE 3011N 0.24 1.73 -0.03 4.11 2.07 -1.26 -0.63 121.20 127.43 1ftf s ILE 3011Ca -0.01 -0.89 -0.00 0.00 -1.41 0.00 0.00 60.65 58.34 1ftf s ILE 3011Cb -0.04 -1.47 0.03 0.00 0.13 0.00 0.00 42.46 41.10 1ftf s ILE 3011CO 0.01 0.49 0.02 -0.70 -1.91 0.00 0.00 174.94 172.85 1ftf s GLU 3012N -0.09 0.16 0.21 3.50 2.56 0.71 -4.98 118.70 120.77 1ftf s GLU 3012Ca -0.03 0.17 -0.30 0.00 0.00 0.00 0.00 54.97 54.81 1ftf s GLU 3012Cb -0.12 -0.46 -0.08 0.00 2.00 0.00 0.00 34.13 35.46 1ftf s GLU 3012CO 0.03 -0.20 1.14 -1.21 -0.56 0.00 0.00 175.26 174.46 1ftf s GLU 3013N 1.33 4.56 0.51 4.30 8.01 -1.26 -0.82 118.70 135.33 1ftf s GLU 3013Ca -0.06 1.81 0.20 0.00 0.01 0.00 0.00 54.97 56.94 1ftf s GLU 3013Cb -0.13 -3.24 1.30 0.00 -4.31 0.00 0.00 34.13 27.75 1ftf s GLU 3013CO -0.03 0.04 2.05 -0.07 0.01 0.00 0.00 175.26 177.27 1ftf h LEU 3014N 4.80 0.05 -0.64 1.80 4.07 -0.97 -2.59 115.31 121.83 1ftf h LEU 3014Ca -0.45 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.52 1ftf h LEU 3014Cb 1.21 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.91 1ftf h LEU 3014CO 0.72 0.03 0.42 0.00 -1.08 0.00 0.00 178.44 178.52 1ftf h ALA 3015N 1.83 0.81 -0.84 1.53 0.00 -1.91 0.84 119.26 121.52 1ftf h ALA 3015Ca 0.16 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1ftf h ALA 3015Cb 0.55 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1ftf h ALA 3015CO -0.01 0.22 0.55 0.77 0.00 0.00 0.00 179.25 180.78 1ftf h SER 3016N 0.84 0.88 -0.06 0.00 0.02 -1.86 0.49 113.55 113.86 1ftf h SER 3016Ca 0.24 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.07 1ftf h SER 3016Cb -0.07 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 62.27 1ftf h SER 3016CO -0.06 0.59 -0.41 0.40 -1.14 0.00 0.00 176.83 176.22 1ftf h ILE 3017N 1.01 1.42 -0.36 3.27 1.08 -1.48 -1.97 117.51 120.49 1ftf h ILE 3017Ca 0.34 -1.83 0.02 0.00 -0.39 0.00 0.00 64.86 63.00 1ftf h ILE 3017Cb 0.08 2.39 -0.03 0.00 -3.07 0.00 0.00 36.82 36.19 1ftf h ILE 3017CO -0.11 0.53 0.20 -0.33 -0.69 0.00 0.00 178.15 177.75 1ftf h GLU 3018N -0.12 0.39 -0.64 2.37 5.08 -0.40 -0.36 114.58 120.92 1ftf h GLU 3018Ca -0.03 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1ftf h GLU 3018Cb 1.08 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1ftf h GLU 3018CO 0.08 0.26 0.24 0.66 -1.00 0.00 0.00 179.01 179.25 1ftf h SER 3019N 0.40 0.89 -0.78 1.42 4.64 -0.97 -2.81 113.55 116.34 1ftf h SER 3019Ca 0.15 -0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 1ftf h SER 3019Cb 0.03 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 61.86 1ftf h SER 3019CO -0.09 0.83 0.42 0.00 -0.87 0.00 0.00 176.83 177.12 1ftf h ALA 3020N 1.10 1.26 -0.23 5.18 0.00 -0.83 -0.67 119.26 125.07 1ftf h ALA 3020Ca 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ftf h ALA 3020Cb 0.22 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ftf h ALA 3020CO -0.02 0.60 0.14 0.28 0.00 0.00 0.00 179.25 180.25 1ftf h VAL 3021N 1.11 1.09 0.07 0.00 2.07 -0.83 -2.73 116.25 117.03 1ftf h VAL 3021Ca 0.28 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 1ftf h VAL 3021Cb 0.04 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1ftf h VAL 3021CO -0.04 0.09 -0.03 0.74 0.02 0.00 0.00 177.57 178.34 1ftf h THR 3022N 0.29 1.11 -0.65 2.57 2.02 -1.32 -3.17 112.91 113.76 1ftf h THR 3022Ca 0.08 -0.61 0.12 0.00 0.77 0.00 0.00 66.41 66.78 1ftf h THR 3022Cb 0.02 1.50 -0.12 0.00 -1.74 0.00 0.00 68.15 67.81 1ftf h THR 3022CO -0.02 0.15 -0.27 -0.09 0.37 0.00 0.00 175.52 175.67 1ftf h ARG 3023N -0.36 -0.09 -3.79 6.66 2.43 -1.08 -3.36 114.38 114.78 1ftf h ARG 3023Ca -0.01 0.01 -0.51 0.00 -0.81 0.00 0.00 59.98 58.66 1ftf h ARG 3023Cb 0.32 0.02 -0.39 0.00 -0.42 0.00 0.00 29.97 29.50 1ftf h ARG 3023CO 0.02 -0.06 -0.77 -1.01 -1.51 0.00 0.00 179.97 176.63 1ftf s HIS 3024N -6.10 1.15 0.16 2.20 3.76 -1.03 -5.00 115.29 110.42 1ftf s HIS 3024Ca -0.14 -0.74 0.32 0.00 -0.15 0.00 0.00 55.06 54.35 1ftf s HIS 3024Cb 0.18 -1.06 1.70 0.00 1.11 0.00 0.00 32.58 34.51 1ftf s HIS 3024CO 0.72 -0.53 1.98 1.49 -0.85 0.00 0.00 174.74 177.54 1ftf h GLU 3025N 8.23 0.00 -0.30 1.40 4.81 -1.71 -0.69 114.58 126.31 1ftf h GLU 3025Ca -0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1ftf h GLU 3025Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1ftf h GLU 3025CO 0.34 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.03 1ftf n GLY 3026N -1.07 0.63 0.41 1.92 0.00 -1.26 -4.36 105.19 101.46 1ftf n GLY 3026Ca -0.02 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 1ftf n GLY 3026CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ftf h PHE 3027N 2.34 -1.02 -0.44 1.61 3.57 -1.40 -1.48 116.94 120.11 1ftf h PHE 3027Ca 0.00 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1ftf h PHE 3027Cb 0.52 0.38 -0.07 0.00 2.79 0.00 0.00 35.95 39.57 1ftf h PHE 3027CO 0.19 -0.56 0.00 0.00 -2.23 0.00 0.00 178.31 175.72 1ftf h ALA 3028N -0.53 0.41 -0.45 2.41 0.00 -1.82 0.27 119.26 119.55 1ftf h ALA 3028Ca -0.06 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1ftf h ALA 3028Cb 0.74 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1ftf h ALA 3028CO 0.02 -0.39 0.31 0.87 0.00 0.00 0.00 179.25 180.06 1ftf h LYS 3029N 0.12 0.34 0.05 0.00 1.57 -1.79 0.35 116.57 117.21 1ftf h LYS 3029Ca 0.22 -0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.75 1ftf h LYS 3029Cb 0.32 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1ftf h LYS 3029CO -0.36 0.22 -1.07 0.00 -0.57 0.00 0.00 179.45 177.67 1ftf h ARG 3030N 0.35 0.15 0.05 3.15 3.08 0.04 -3.33 114.38 117.86 1ftf h ARG 3030Ca 0.20 -0.23 -0.25 0.00 0.07 0.00 0.00 59.98 59.77 1ftf h ARG 3030Cb 0.34 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1ftf h ARG 3030CO -0.05 1.08 -1.23 0.28 -1.07 0.00 0.00 179.97 178.98 1ftf h VAL 3031N 0.05 1.47 -3.82 2.04 2.07 0.08 -3.39 116.25 114.75 1ftf h VAL 3031Ca -0.07 -3.15 -0.69 0.00 0.82 0.00 0.00 66.70 63.62 1ftf h VAL 3031Cb 1.79 2.80 -0.21 0.00 -1.52 0.00 0.00 31.29 34.16 1ftf h VAL 3031CO 0.16 0.87 -0.73 -0.76 0.02 0.00 0.00 177.57 177.13 1ftf s LEU 3032N -6.78 2.96 1.22 2.57 1.43 0.11 -4.61 118.68 115.59 1ftf s LEU 3032Ca -0.03 -0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 52.74 1ftf s LEU 3032Cb 0.09 -1.65 0.30 0.00 0.03 0.00 0.00 46.19 44.95 1ftf s LEU 3032CO 0.84 0.33 1.12 0.42 0.23 0.00 0.00 176.35 179.29 1ftf s THR 3033N -0.82 1.55 0.10 5.49 -4.23 -1.26 -4.67 115.64 111.80 1ftf s THR 3033Ca 0.13 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.43 1ftf s THR 3033Cb -0.11 -2.50 -0.11 0.00 1.34 0.00 0.00 72.50 71.12 1ftf s THR 3033CO 0.02 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 175.85 1ftf h ALA 3034N -2.65 0.12 -0.47 3.99 0.00 -1.94 -0.51 119.26 117.80 1ftf h ALA 3034Ca -0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1ftf h ALA 3034Cb 1.29 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1ftf h ALA 3034CO 0.31 -0.38 0.21 1.25 0.00 0.00 0.00 179.25 180.63 1ftf h LEU 3035N 0.12 0.63 -0.91 0.00 5.85 -2.01 -2.14 115.31 116.86 1ftf h LEU 3035Ca 0.04 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1ftf h LEU 3035Cb -0.01 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1ftf h LEU 3035CO -0.01 0.60 0.54 -0.33 -0.34 0.00 0.00 178.44 178.90 1ftf h GLU 3036N 0.61 1.24 -0.78 1.25 5.08 -1.87 -2.40 114.58 117.71 1ftf h GLU 3036Ca 0.16 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1ftf h GLU 3036Cb 0.15 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1ftf h GLU 3036CO -0.02 0.87 0.51 0.52 -1.00 0.00 0.00 179.01 179.90 1ftf h MET 3037N 1.25 1.00 -0.88 2.33 2.86 -0.74 -0.32 114.93 120.44 1ftf h MET 3037Ca 0.32 -0.06 0.15 0.00 -2.06 0.00 0.00 59.70 58.05 1ftf h MET 3037Cb -0.04 -0.23 -0.09 0.00 0.06 0.00 0.00 31.60 31.30 1ftf h MET 3037CO -0.06 0.66 0.47 0.93 1.06 0.00 0.00 176.91 179.97 1ftf h GLU 3038N 1.03 0.65 -0.04 1.72 5.08 -0.87 0.19 114.58 122.34 1ftf h GLU 3038Ca 0.29 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 1ftf h GLU 3038Cb -0.08 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 1ftf h GLU 3038CO -0.08 0.43 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.23 1ftf h ARG 3039N 0.67 0.10 -0.39 2.33 9.65 -1.20 -2.58 114.38 122.95 1ftf h ARG 3039Ca 0.48 -0.05 0.08 0.00 -1.10 0.00 0.00 59.98 59.39 1ftf h ARG 3039Cb 0.66 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.16 1ftf h ARG 3039CO -0.35 0.57 -0.24 0.35 2.80 0.00 0.00 179.97 183.10 1ftf h PHE 3040N -0.37 -0.64 -0.21 2.20 3.57 -0.01 -1.47 116.94 120.01 1ftf h PHE 3040Ca 0.01 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 1ftf h PHE 3040Cb 0.56 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1ftf h PHE 3040CO 0.10 -0.32 -0.06 1.15 -2.23 0.00 0.00 178.31 176.95 1ftf h THR 3041N -0.18 1.17 0.00 4.41 2.02 -0.72 -2.21 112.91 117.41 1ftf h THR 3041Ca 0.19 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 1ftf h THR 3041Cb 0.47 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1ftf h THR 3041CO -0.50 0.23 -0.05 0.77 0.37 0.00 0.00 175.52 176.34 1ftf h SER 3042N 0.31 0.00 -3.06 4.18 4.64 -0.86 -3.44 113.55 115.31 1ftf h SER 3042Ca 0.07 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.92 1ftf h SER 3042Cb 0.31 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.43 1ftf h SER 3042CO 0.01 0.05 -0.02 -0.76 -0.87 0.00 0.00 176.83 175.25 1ftf s LEU 3043N -6.32 3.59 0.11 5.97 1.02 -0.83 -5.10 118.68 117.12 1ftf s LEU 3043Ca 0.02 0.48 -0.06 0.00 0.02 0.00 0.00 54.13 54.59 1ftf s LEU 3043Cb 0.09 -3.36 -0.02 0.00 0.02 0.00 0.00 46.19 42.92 1ftf s LEU 3043CO 0.58 -0.72 0.15 -1.59 0.02 0.00 0.00 176.35 174.78 1ftf s LYS 3044N -4.65 0.91 4.58 1.70 -2.85 -1.26 -4.76 119.74 113.42 1ftf s LYS 3044Ca 0.49 -1.18 0.00 0.00 -1.00 0.00 0.00 55.97 54.28 1ftf s LYS 3044Cb -0.10 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 35.97 1ftf s LYS 3044CO 0.40 -0.28 0.00 0.41 0.10 0.00 0.00 175.35 175.98 1ftf n GLY 3045N -0.08 2.04 0.35 0.59 0.00 -1.26 -2.63 105.19 104.20 1ftf n GLY 3045Ca -0.10 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.51 1ftf n GLY 3045CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ftf h ARG 3046N 0.00 0.95 -0.54 1.61 3.08 -1.99 -1.14 114.38 116.35 1ftf h ARG 3046Ca 0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1ftf h ARG 3046Cb 0.00 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 1ftf h ARG 3046CO 0.00 0.63 0.27 0.00 -1.07 0.00 0.00 179.97 179.80 1ftf h ARG 3047N 0.98 0.75 -0.23 0.04 3.08 -1.97 0.34 114.38 117.37 1ftf h ARG 3047Ca 0.46 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.36 1ftf h ARG 3047Cb 0.39 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1ftf h ARG 3047CO -0.24 0.57 -0.12 0.37 -1.07 0.00 0.00 179.97 179.47 1ftf h GLN 3048N 0.75 0.48 -0.47 0.04 4.15 -0.97 -1.86 115.11 117.23 1ftf h GLN 3048Ca 0.19 -0.22 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 1ftf h GLN 3048Cb 0.06 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1ftf h GLN 3048CO -0.03 0.77 0.18 0.82 -1.93 0.00 0.00 178.83 178.64 1ftf h ILE 3049N 0.19 1.21 -0.58 2.39 2.04 -1.09 -2.54 117.51 119.13 1ftf h ILE 3049Ca 0.05 -0.65 0.06 0.00 1.00 0.00 0.00 64.86 65.32 1ftf h ILE 3049Cb 0.63 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 1ftf h ILE 3049CO 0.04 0.24 0.28 -0.08 0.00 0.00 0.00 178.15 178.63 1ftf h GLU 3050N 0.61 0.51 0.19 2.37 4.57 -0.90 0.53 114.58 122.47 1ftf h GLU 3050Ca 0.15 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1ftf h GLU 3050Cb 0.20 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1ftf h GLU 3050CO -0.01 0.34 -0.12 -0.92 -1.18 0.00 0.00 179.01 177.12 1ftf h TYR 3051N 0.53 -0.31 -0.32 0.92 5.03 -1.10 0.27 116.97 121.99 1ftf h TYR 3051Ca 0.27 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.61 1ftf h TYR 3051Cb 0.22 0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.57 1ftf h TYR 3051CO -0.11 -0.19 0.10 1.25 -1.32 0.00 0.00 178.16 177.89 1ftf h LEU 3052N -0.30 0.09 -0.89 2.82 5.85 -1.08 -0.82 115.31 120.98 1ftf h LEU 3052Ca -0.02 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1ftf h LEU 3052Cb 0.25 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1ftf h LEU 3052CO 0.02 0.09 0.46 0.00 -0.34 0.00 0.00 178.44 178.67 1ftf h ALA 3053N 1.21 1.15 -0.42 1.25 0.00 -0.64 -0.22 119.26 121.58 1ftf h ALA 3053Ca 0.15 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1ftf h ALA 3053Cb 0.13 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1ftf h ALA 3053CO -0.16 0.67 -0.12 0.78 0.00 0.00 0.00 179.25 180.41 1ftf h GLY 3054N 1.25 0.83 0.97 0.00 0.00 0.04 -0.09 103.07 106.07 1ftf h GLY 3054Ca 0.31 -0.63 -0.13 0.00 0.00 0.00 0.00 47.33 46.87 1ftf h GLY 3054CO -0.05 0.58 -0.36 3.21 0.00 0.00 0.00 176.54 179.92 1ftf h ARG 3055N 0.69 0.68 -0.49 4.80 -0.00 -0.70 -0.61 114.38 118.75 1ftf h ARG 3055Ca 0.12 -0.40 0.00 0.00 -0.50 0.00 0.00 59.98 59.19 1ftf h ARG 3055Cb 0.60 0.04 -0.02 0.00 0.00 0.00 0.00 29.97 30.58 1ftf h ARG 3055CO 0.04 1.02 0.31 2.35 0.00 0.00 0.00 179.97 183.69 1ftf h TRP 3056N 0.39 0.63 -0.16 3.04 2.91 -0.91 -1.31 115.95 120.55 1ftf h TRP 3056Ca 0.02 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.05 1ftf h TRP 3056Cb 0.95 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.38 1ftf h TRP 3056CO 0.08 0.43 0.10 1.03 -1.03 0.00 0.00 178.44 179.05 1ftf h SER 3057N 0.66 0.17 -0.74 2.65 0.87 -0.93 -1.27 113.55 114.95 1ftf h SER 3057Ca 0.18 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 1ftf h SER 3057Cb -0.03 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 1ftf h SER 3057CO -0.04 0.12 0.38 0.00 -0.53 0.00 0.00 176.83 176.76 1ftf h ALA 3058N 1.06 0.96 -0.17 6.23 0.00 -0.87 0.14 119.26 126.61 1ftf h ALA 3058Ca 0.06 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1ftf h ALA 3058Cb -0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1ftf h ALA 3058CO -0.02 0.50 -0.46 0.87 0.00 0.00 0.00 179.25 180.15 1ftf h LYS 3059N 1.04 0.42 -0.14 0.00 1.57 -1.10 -0.39 116.57 117.97 1ftf h LYS 3059Ca 0.26 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1ftf h LYS 3059Cb 0.09 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1ftf h LYS 3059CO -0.04 0.79 -0.05 1.49 -0.57 0.00 0.00 179.45 181.08 1ftf h GLU 3060N 0.34 0.28 -0.48 3.15 4.57 -0.95 0.06 114.58 121.55 1ftf h GLU 3060Ca 0.02 -0.12 0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1ftf h GLU 3060Cb 0.93 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.47 1ftf h GLU 3060CO 0.08 0.59 0.23 0.00 -1.18 0.00 0.00 179.01 178.73 1ftf h ALA 3061N 0.68 0.61 -0.54 2.92 0.00 -0.78 -0.04 119.26 122.12 1ftf h ALA 3061Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ftf h ALA 3061Cb 0.50 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1ftf h ALA 3061CO 0.02 -0.13 0.29 0.35 0.00 0.00 0.00 179.25 179.78 1ftf h PHE 3062N 0.45 0.74 -0.77 0.00 3.04 -0.93 0.13 116.94 119.61 1ftf h PHE 3062Ca 0.22 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.12 1ftf h PHE 3062Cb 0.15 -0.24 -0.04 0.00 2.56 0.00 0.00 35.95 38.38 1ftf h PHE 3062CO -0.11 0.55 0.39 0.77 -2.02 0.00 0.00 178.31 177.89 1ftf h SER 3063N 0.72 0.97 0.05 0.41 0.02 -0.35 -0.03 113.55 115.33 1ftf h SER 3063Ca 0.19 -0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.91 1ftf h SER 3063Cb 0.06 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1ftf h SER 3063CO -0.03 0.80 -0.45 0.11 -1.14 0.00 0.00 176.83 176.12 1ftf h LYS 3064N 1.08 0.48 -0.40 3.45 1.57 -0.64 -2.11 116.57 120.00 1ftf h LYS 3064Ca 0.27 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1ftf h LYS 3064Cb 0.07 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1ftf h LYS 3064CO -0.04 0.84 -0.11 0.00 -0.57 0.00 0.00 179.45 179.57 1ftf h ALA 3065N 1.12 1.06 -0.18 3.86 0.00 0.06 -2.55 119.26 122.62 1ftf h ALA 3065Ca 0.03 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1ftf h ALA 3065Cb 0.95 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1ftf h ALA 3065CO 0.08 0.58 -0.45 0.52 0.00 0.00 0.00 179.25 179.98 1ftf h MET 3066N 0.64 0.45 0.00 0.00 2.86 -0.87 -3.34 114.93 114.68 1ftf h MET 3066Ca 0.11 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1ftf h MET 3066Cb 0.56 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1ftf h MET 3066CO 0.04 0.81 0.00 0.41 1.06 0.00 0.00 176.91 179.23 1ftf n GLY 3067N 0.01 0.80 3.15 8.32 0.00 -0.81 -5.06 105.19 111.60 1ftf n GLY 3067Ca -0.02 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.45 1ftf n GLY 3067CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ftf n GLY 3074N -1.37 -0.01 0.04 -0.02 0.00 -1.26 -5.04 105.19 97.53 1ftf n GLY 3074Ca 0.00 0.78 0.08 0.00 0.00 0.00 0.00 46.02 46.88 1ftf n GLY 3074CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ftf n PHE 3075N 2.52 0.23 0.25 1.61 3.01 -1.26 -1.91 117.46 121.91 1ftf n PHE 3075Ca 0.23 0.09 0.13 0.00 1.01 0.00 0.00 57.45 58.91 1ftf n PHE 3075Cb 0.00 -0.65 0.31 0.00 -0.01 0.00 0.00 39.48 39.13 1ftf n PHE 3075CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1ftf h GLN 3076N 0.00 0.00 -0.24 -1.08 1.08 -1.82 -2.88 115.11 110.17 1ftf h GLN 3076Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ftf h GLN 3076Cb 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1ftf h GLN 3076CO 0.00 0.00 0.00 -0.25 -0.95 0.00 0.00 178.83 177.63 1ftf n ASP 3077N -3.07 2.23 -4.32 1.46 8.00 -0.80 -4.80 116.55 115.25 1ftf n ASP 3077Ca 0.03 -1.82 -0.32 0.00 0.71 0.00 0.00 54.79 53.40 1ftf n ASP 3077Cb 0.47 -0.16 -0.16 0.00 -0.02 0.00 0.00 41.12 41.26 1ftf n ASP 3077CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ftf s LEU 3078N -1.51 2.19 -0.03 0.64 1.02 -1.09 -4.13 118.68 115.78 1ftf s LEU 3078Ca 0.34 -0.44 -0.00 0.00 0.02 0.00 0.00 54.13 54.04 1ftf s LEU 3078Cb 0.19 -1.40 0.03 0.00 0.02 0.00 0.00 46.19 45.03 1ftf s LEU 3078CO 0.27 0.28 0.05 -0.70 0.02 0.00 0.00 176.35 176.27 1ftf s GLU 3079N -0.37 -0.02 -0.19 1.70 2.12 -0.51 -4.64 118.70 116.78 1ftf s GLU 3079Ca 0.03 0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.58 1ftf s GLU 3079Cb -0.12 -0.23 0.03 0.00 0.26 0.00 0.00 34.13 34.07 1ftf s GLU 3079CO 0.02 -0.16 -0.15 0.08 -0.54 0.00 0.00 175.26 174.51 1ftf s VAL 3080N 1.06 1.87 0.37 3.70 1.01 -1.26 -0.95 120.40 126.21 1ftf s VAL 3080Ca -0.09 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.90 1ftf s VAL 3080Cb -0.12 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.46 1ftf s VAL 3080CO -0.03 0.33 0.12 0.18 0.00 0.00 0.00 175.10 175.70 1ftf n LEU 3081N 4.64 0.00 -4.27 3.92 4.77 -0.29 -4.86 117.00 120.91 1ftf n LEU 3081Ca -0.17 -2.17 -0.32 0.00 -0.03 0.00 0.00 56.01 53.31 1ftf n LEU 3081Cb 0.48 0.14 -0.16 0.00 -2.33 0.00 0.00 43.42 41.54 1ftf n LEU 3081CO 0.23 -0.39 -0.53 0.20 -1.33 0.00 0.00 177.39 175.56 1ftf s ASN 3082N -3.11 3.33 1.05 -1.43 0.01 -1.26 -0.75 114.94 112.77 1ftf s ASN 3082Ca 0.09 -0.49 -0.12 0.00 -0.71 0.00 0.00 52.86 51.63 1ftf s ASN 3082Cb -0.01 -1.36 0.17 0.00 0.41 0.00 0.00 41.25 40.46 1ftf s ASN 3082CO 0.06 0.18 0.86 -0.46 -1.51 0.00 0.00 177.10 176.23 1ftf n ASN 3083N 3.40 -0.44 0.30 -1.22 0.23 0.28 -4.83 115.26 112.98 1ftf n ASN 3083Ca -0.19 -1.22 0.19 0.00 -0.53 0.00 0.00 54.58 52.83 1ftf n ASN 3083Cb 0.53 -0.69 0.91 0.00 -2.08 0.00 0.00 39.78 38.45 1ftf n ASN 3083CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1ftf h GLU 3084N 0.00 0.00 -0.07 -3.83 9.09 -2.01 0.18 114.58 117.95 1ftf h GLU 3084Ca -0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.12 1ftf h GLU 3084Cb 0.82 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.92 1ftf h GLU 3084CO 0.20 0.03 0.00 0.54 0.05 0.00 0.00 179.01 179.83 1ftf n ARG 3085N -3.21 1.68 -0.64 1.06 1.74 -1.26 -4.91 116.66 111.11 1ftf n ARG 3085Ca -0.01 -1.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.07 1ftf n ARG 3085Cb 0.20 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1ftf n ARG 3085CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ftf n GLY 3086N 1.16 0.80 3.75 -0.13 0.00 0.05 -5.04 105.19 105.78 1ftf n GLY 3086Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1ftf n GLY 3086CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ftf s ALA 3087N -3.14 3.33 0.36 4.61 0.00 -1.26 -4.66 121.76 121.01 1ftf s ALA 3087Ca 0.00 0.55 -0.26 0.00 0.00 0.00 0.00 51.96 52.25 1ftf s ALA 3087Cb 0.00 -3.18 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 1ftf s ALA 3087CO 0.00 0.15 1.04 -1.25 0.00 0.00 0.00 175.76 175.70 1ftf s PRO 3088N -0.78 4.34 0.10 0.00 0.04 -1.26 -0.55 135.00 136.89 1ftf s PRO 3088Ca 0.42 1.55 -0.20 0.00 0.04 0.00 0.00 61.00 62.81 1ftf s PRO 3088Cb -0.24 -2.73 0.05 0.00 0.04 0.00 0.00 34.50 31.61 1ftf s PRO 3088CO 0.30 0.01 0.49 1.52 0.04 0.00 0.00 177.00 179.36 1ftf s TYR 3089N -1.54 -0.36 -0.39 0.56 -0.85 0.07 -4.84 117.35 110.01 1ftf s TYR 3089Ca 0.53 0.20 -0.26 0.00 -0.52 0.00 0.00 57.07 57.03 1ftf s TYR 3089Cb -0.24 0.35 0.02 0.00 0.38 0.00 0.00 41.96 42.47 1ftf s TYR 3089CO 0.30 -0.71 0.92 -0.06 -1.52 0.00 0.00 175.55 174.48 1ftf s PHE 3090N -3.28 3.04 -0.22 -3.49 0.40 -1.26 -1.13 117.98 112.03 1ftf s PHE 3090Ca -0.01 0.66 0.20 0.00 -0.60 0.00 0.00 56.93 57.19 1ftf s PHE 3090Cb 0.00 -3.73 0.01 0.00 0.51 0.00 0.00 43.02 39.82 1ftf s PHE 3090CO -0.08 -0.89 1.09 0.66 0.70 0.00 0.00 175.22 176.69 1ftf h SER 3091N 8.64 0.00 -3.31 1.36 4.64 -1.41 -3.46 113.55 120.01 1ftf h SER 3091Ca -0.23 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.83 1ftf h SER 3091Cb 1.08 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.84 1ftf h SER 3091CO 0.99 0.21 -0.60 -1.58 -0.87 0.00 0.00 176.83 174.98 1ftf s GLN 3092N -3.19 0.09 -0.25 4.77 2.00 -1.16 -4.98 119.66 116.95 1ftf s GLN 3092Ca 0.00 0.45 -0.27 0.00 -2.00 0.00 0.00 55.36 53.54 1ftf s GLN 3092Cb 0.09 -0.20 0.13 0.00 0.80 0.00 0.00 33.01 33.83 1ftf s GLN 3092CO 0.78 -0.21 1.06 0.00 -0.50 0.00 0.00 175.29 176.42 1ftf s ALA 3093N 1.52 -1.98 -0.24 1.58 0.00 -1.26 -1.43 121.76 119.95 1ftf s ALA 3093Ca -0.06 1.77 -0.04 0.00 0.00 0.00 0.00 51.96 53.64 1ftf s ALA 3093Cb -0.12 -1.25 -0.12 0.00 0.00 0.00 0.00 23.12 21.64 1ftf s ALA 3093CO -0.06 -0.25 2.12 -0.35 0.00 0.00 0.00 175.76 177.22 1ftf n PRO 3094N 1.67 1.31 -3.67 0.00 -0.04 -1.26 -4.67 135.00 128.34 1ftf n PRO 3094Ca -0.11 -0.77 -0.09 0.00 -0.04 0.00 0.00 63.50 62.48 1ftf n PRO 3094Cb 0.57 -1.95 -0.09 0.00 -0.04 0.00 0.00 33.50 31.98 1ftf n PRO 3094CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1ftf s PHE 3095N 2.38 -0.78 -2.71 0.54 2.19 -1.26 -5.05 117.98 113.28 1ftf s PHE 3095Ca 0.36 1.60 0.24 0.00 0.33 0.00 0.00 56.93 59.47 1ftf s PHE 3095Cb 0.15 0.40 0.49 0.00 -1.31 0.00 0.00 43.02 42.76 1ftf s PHE 3095CO -0.01 -0.42 1.43 -1.13 1.83 0.00 0.00 175.22 176.92 1ftf n SER 3096N 4.35 2.60 -1.56 6.13 3.41 -1.26 -4.93 113.62 122.35 1ftf n SER 3096Ca -0.21 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 1ftf n SER 3096Cb 0.56 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1ftf n SER 3096CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ftf n GLY 3097N 1.32 0.55 3.80 5.00 0.00 -1.26 -5.06 105.19 109.54 1ftf n GLY 3097Ca 0.16 -1.84 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 1ftf n GLY 3097CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ftf s LYS 3098N 1.06 4.09 -0.32 1.61 1.02 0.51 -4.93 119.74 122.78 1ftf s LYS 3098Ca 0.00 0.50 -0.02 0.00 0.02 0.00 0.00 55.97 56.47 1ftf s LYS 3098Cb 0.00 -3.28 0.06 0.00 -0.52 0.00 0.00 37.83 34.09 1ftf s LYS 3098CO 0.00 0.55 0.04 0.42 -0.92 0.00 0.00 175.35 175.44 1ftf s ILE 3099N -0.67 3.06 -0.48 2.17 1.01 -1.26 -1.40 121.20 123.63 1ftf s ILE 3099Ca 0.26 -1.52 -0.19 0.00 0.00 0.00 0.00 60.65 59.19 1ftf s ILE 3099Cb -0.17 -2.83 0.05 0.00 0.01 0.00 0.00 42.46 39.51 1ftf s ILE 3099CO 0.14 -0.23 0.60 0.26 0.00 0.00 0.00 174.94 175.71 1ftf s TRP 3100N 1.23 3.07 0.01 3.97 0.52 -0.26 -4.80 118.94 122.69 1ftf s TRP 3100Ca -0.02 -0.42 0.05 0.00 0.02 0.00 0.00 56.10 55.73 1ftf s TRP 3100Cb -0.20 -3.40 -0.03 0.00 -1.15 0.00 0.00 33.47 28.69 1ftf s TRP 3100CO -0.02 -0.95 -0.13 -1.17 0.02 0.00 0.00 176.95 174.71 1ftf s LEU 3101N 2.59 2.85 -0.12 2.99 2.96 -1.26 -1.15 118.68 127.54 1ftf s LEU 3101Ca 0.16 -0.28 -0.11 0.00 -0.22 0.00 0.00 54.13 53.68 1ftf s LEU 3101Cb -0.18 -1.65 0.03 0.00 0.50 0.00 0.00 46.19 44.90 1ftf s LEU 3101CO 0.14 0.28 0.33 -0.55 -1.32 0.00 0.00 176.35 175.22 1ftf s SER 3102N -1.33 -0.34 0.04 3.68 0.15 -0.63 -4.93 113.70 110.33 1ftf s SER 3102Ca 0.15 0.66 0.04 0.00 0.70 0.00 0.00 55.95 57.50 1ftf s SER 3102Cb -0.11 0.66 -0.02 0.00 -1.71 0.00 0.00 66.02 64.84 1ftf s SER 3102CO 0.06 -0.12 -0.11 -0.63 1.20 0.00 0.00 173.24 173.64 1ftf s ILE 3103N 0.24 0.82 0.13 6.45 1.01 -1.26 -0.69 121.20 127.90 1ftf s ILE 3103Ca -0.01 -0.98 -0.13 0.00 0.00 0.00 0.00 60.65 59.53 1ftf s ILE 3103Cb -0.03 -0.79 0.02 0.00 0.01 0.00 0.00 42.46 41.67 1ftf s ILE 3103CO -0.00 -0.16 0.35 -0.55 0.00 0.00 0.00 174.94 174.58 1ftf s SER 3104N -1.26 -0.11 0.04 3.58 0.15 -0.53 -5.01 113.70 110.56 1ftf s SER 3104Ca -0.03 -0.50 -0.21 0.00 0.70 0.00 0.00 55.95 55.92 1ftf s SER 3104Cb -0.08 0.45 0.04 0.00 -1.71 0.00 0.00 66.02 64.72 1ftf s SER 3104CO 0.01 -0.85 0.47 -1.38 1.20 0.00 0.00 173.24 172.69 1ftf s HIS 3105N -3.85 -0.35 0.00 3.44 -3.43 -1.26 -0.48 115.29 109.35 1ftf s HIS 3105Ca 0.06 0.37 0.00 0.00 -0.80 0.00 0.00 55.06 54.69 1ftf s HIS 3105Cb 0.02 0.28 0.00 0.00 -1.43 0.00 0.00 32.58 31.46 1ftf s HIS 3105CO -0.09 -0.61 0.00 0.25 -2.00 0.00 0.00 174.74 172.29 1ftf n THR 3106N 0.48 0.00 0.23 -5.38 -2.24 0.74 -5.00 114.28 103.10 1ftf n THR 3106Ca -0.18 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.70 1ftf n THR 3106Cb 0.60 -0.65 0.46 0.00 -2.10 0.00 0.00 70.33 68.64 1ftf n THR 3106CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ftf h ASP 3107N 0.00 0.00 0.00 3.42 3.45 -2.03 -3.33 116.42 117.93 1ftf h ASP 3107Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1ftf h ASP 3107Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1ftf h ASP 3107CO 0.00 0.20 -1.54 0.00 -1.57 0.00 0.00 179.24 176.33 1ftf n GLN 3108N -3.34 0.47 -3.79 3.56 3.00 -1.26 -4.90 117.38 111.13 1ftf n GLN 3108Ca 0.00 -0.11 -0.09 0.00 -0.01 0.00 0.00 57.00 56.79 1ftf n GLN 3108Cb 0.43 -1.29 -0.04 0.00 0.00 0.00 0.00 30.24 29.34 1ftf n GLN 3108CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 1ftf s PHE 3109N -2.85 -0.05 0.16 1.08 -0.12 -1.25 -0.25 117.98 114.70 1ftf s PHE 3109Ca -0.04 -0.31 0.10 0.00 -0.05 0.00 0.00 56.93 56.63 1ftf s PHE 3109Cb 0.08 0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 1ftf s PHE 3109CO 0.52 -0.95 -0.22 0.08 -0.05 0.00 0.00 175.22 174.60 1ftf s VAL 3110N -3.90 2.05 0.05 -2.49 1.01 -0.00 -0.19 120.40 116.93 1ftf s VAL 3110Ca 0.11 -1.87 0.03 0.00 0.00 0.00 0.00 61.98 60.25 1ftf s VAL 3110Cb -0.01 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1ftf s VAL 3110CO -0.00 -0.15 -0.11 0.42 0.00 0.00 0.00 175.10 175.26 1ftf s THR 3111N -1.63 0.79 0.00 3.92 -4.23 0.37 -0.21 115.64 114.64 1ftf s THR 3111Ca 0.16 -1.18 -0.01 0.00 -1.18 0.00 0.00 61.69 59.48 1ftf s THR 3111Cb -0.08 -0.81 -0.01 0.00 1.34 0.00 0.00 72.50 72.95 1ftf s THR 3111CO 0.07 -0.31 0.02 0.00 -0.54 0.00 0.00 174.62 173.86 1ftf s ALA 3112N -1.33 -0.04 -0.05 3.99 0.00 0.20 -1.46 121.76 123.07 1ftf s ALA 3112Ca -0.06 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.72 1ftf s ALA 3112Cb -0.10 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.08 1ftf s ALA 3112CO 0.01 -0.09 -0.05 0.45 0.00 0.00 0.00 175.76 176.08 1ftf s SER 3113N -0.70 1.03 -0.04 0.00 0.15 0.14 -0.99 113.70 113.29 1ftf s SER 3113Ca -0.08 -0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.46 1ftf s SER 3113Cb -0.05 -0.49 -0.00 0.00 -1.71 0.00 0.00 66.02 63.78 1ftf s SER 3113CO -0.00 -0.05 -0.14 -0.69 1.20 0.00 0.00 173.24 173.56 1ftf s VAL 3114N 0.90 1.20 -0.10 4.45 1.01 0.13 -1.61 120.40 126.37 1ftf s VAL 3114Ca -0.11 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1ftf s VAL 3114Cb -0.14 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.21 1ftf s VAL 3114CO 0.00 0.35 -0.13 -0.63 0.00 0.00 0.00 175.10 174.70 1ftf s ILE 3115N 0.11 1.34 -0.21 2.22 1.01 -0.30 -0.80 121.20 124.57 1ftf s ILE 3115Ca -0.04 -0.54 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 1ftf s ILE 3115Cb -0.11 -1.24 -0.05 0.00 0.01 0.00 0.00 42.46 41.07 1ftf s ILE 3115CO 0.02 0.41 0.13 -0.76 0.00 0.00 0.00 174.94 174.74 1ftf s LEU 3116N 1.08 4.12 -0.00 2.97 1.43 0.58 -1.10 118.68 127.75 1ftf s LEU 3116Ca -0.06 0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1ftf s LEU 3116Cb -0.15 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 1ftf s LEU 3116CO -0.02 0.14 -0.09 -0.70 0.23 0.00 0.00 176.35 175.90 1ftf s GLU 3117N 0.61 0.74 0.00 1.70 2.12 -0.49 -0.18 118.70 123.20 1ftf s GLU 3117Ca 0.07 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.02 1ftf s GLU 3117Cb -0.12 -0.70 0.00 0.00 0.26 0.00 0.00 34.13 33.57 1ftf s GLU 3117CO 0.00 0.19 0.50 0.39 -0.54 0.00 0.00 175.26 175.80