#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a49 n GLN 3013N 0.00 1.74 -3.59 0.38 6.02 -1.26 -5.05 117.38 115.61 1a49 n GLN 3013Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1a49 n GLN 3013Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 1a49 n GLN 3013CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1a49 s THR 3014N 0.00 0.01 -1.31 5.09 -1.32 -1.26 -4.50 115.64 112.35 1a49 s THR 3014Ca 0.00 -0.41 -0.10 0.00 -1.21 0.00 0.00 61.69 59.97 1a49 s THR 3014Cb 0.00 -1.33 0.08 0.00 -1.51 0.00 0.00 72.50 69.74 1a49 s THR 3014CO 0.00 -0.06 0.51 0.00 -2.21 0.00 0.00 174.62 172.87 1a49 n GLN 3015N -0.37 -3.38 -2.29 7.08 6.02 0.24 -0.27 117.38 124.42 1a49 n GLN 3015Ca -0.13 0.46 -0.07 0.00 -0.01 0.00 0.00 57.00 57.25 1a49 n GLN 3015Cb 0.63 -5.17 -0.01 0.00 1.02 0.00 0.00 30.24 26.71 1a49 n GLN 3015CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1a49 n GLN 3016N -3.78 -2.34 0.06 -1.09 3.00 -1.26 -4.80 117.38 107.17 1a49 n GLN 3016Ca -0.01 0.37 0.18 0.00 -0.01 0.00 0.00 57.00 57.53 1a49 n GLN 3016Cb 0.54 -4.87 0.70 0.00 0.00 0.00 0.00 30.24 26.61 1a49 n GLN 3016CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1a49 h LEU 3017N 0.00 0.00 -0.15 1.08 3.38 -0.95 -1.81 115.31 116.86 1a49 h LEU 3017Ca -0.17 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.67 1a49 h LEU 3017Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1a49 h LEU 3017CO 0.21 0.00 -0.41 -0.74 0.09 0.00 0.00 178.44 177.59 1a49 h HIS 3018N 0.00 0.71 -0.55 1.13 2.76 -1.87 -2.58 115.15 114.75 1a49 h HIS 3018Ca 0.19 -0.28 0.03 0.00 -2.20 0.00 0.00 60.37 58.11 1a49 h HIS 3018Cb 0.81 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.62 1a49 h HIS 3018CO 0.00 1.03 0.36 0.00 -1.30 0.00 0.00 177.93 178.02 1a49 h ALA 3019N 0.55 1.70 -0.51 5.26 0.00 -1.55 -1.79 119.26 122.92 1a49 h ALA 3019Ca -0.01 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.02 1a49 h ALA 3019Cb 1.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1a49 h ALA 3019CO 0.09 0.25 0.38 0.00 0.00 0.00 0.00 179.25 179.96 1a49 h ALA 3020N 1.68 2.46 -0.13 0.00 0.00 -1.05 -0.92 119.26 121.29 1a49 h ALA 3020Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1a49 h ALA 3020Cb 0.05 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1a49 h ALA 3020CO -0.05 -0.64 0.00 -1.33 0.00 0.00 0.00 179.25 177.23 1a49 n MET 3021N -4.33 1.77 -1.09 0.00 2.81 -0.67 -4.75 117.12 110.86 1a49 n MET 3021Ca 0.09 -1.14 -0.32 0.00 -1.81 0.00 0.00 57.70 54.52 1a49 n MET 3021Cb 0.59 -1.42 0.12 0.00 -0.71 0.00 0.00 33.22 31.80 1a49 n MET 3021CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a49 s ALA 3022N -1.84 1.87 -0.17 3.04 0.00 -0.35 -4.97 121.76 119.34 1a49 s ALA 3022Ca 0.34 0.65 -0.09 0.00 0.00 0.00 0.00 51.96 52.86 1a49 s ALA 3022Cb 0.19 -3.43 -0.22 0.00 0.00 0.00 0.00 23.12 19.66 1a49 s ALA 3022CO 0.29 -2.24 0.20 -0.25 0.00 0.00 0.00 175.76 173.76 1a49 n ASP 3023N -3.51 2.04 -4.85 0.00 8.00 -1.26 -4.93 116.55 112.04 1a49 n ASP 3023Ca 0.12 0.21 -0.21 0.00 0.71 0.00 0.00 54.79 55.62 1a49 n ASP 3023Cb 0.51 -0.82 -0.04 0.00 -0.02 0.00 0.00 41.12 40.76 1a49 n ASP 3023CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1a49 s THR 3024N -2.51 3.62 0.08 -3.53 -4.23 -1.26 -5.01 115.64 102.80 1a49 s THR 3024Ca -0.27 -1.37 -0.21 0.00 -1.18 0.00 0.00 61.69 58.67 1a49 s THR 3024Cb 0.07 -3.21 -0.11 0.00 1.34 0.00 0.00 72.50 70.60 1a49 s THR 3024CO 0.69 -0.19 1.58 0.15 -0.54 0.00 0.00 174.62 176.31 1a49 h PHE 3025N 1.26 0.27 -0.39 3.99 3.57 -1.99 0.19 116.94 123.85 1a49 h PHE 3025Ca -0.45 -0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.10 1a49 h PHE 3025Cb 1.25 -0.08 -0.09 0.00 2.79 0.00 0.00 35.95 39.83 1a49 h PHE 3025CO 0.53 0.38 -0.25 1.25 -2.23 0.00 0.00 178.31 178.00 1a49 h LEU 3026N 0.08 -0.82 -1.07 0.59 5.85 -2.00 0.44 115.31 118.39 1a49 h LEU 3026Ca 0.05 0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1a49 h LEU 3026Cb 0.24 0.41 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 1a49 h LEU 3026CO -0.00 -0.27 0.63 -0.08 -0.34 0.00 0.00 178.44 178.38 1a49 h GLU 3027N -0.18 1.17 -0.02 1.25 4.57 -1.93 0.17 114.58 119.60 1a49 h GLU 3027Ca 0.19 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.33 1a49 h GLU 3027Cb 0.47 -0.26 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 1a49 h GLU 3027CO -0.49 0.77 -0.22 1.25 -1.18 0.00 0.00 179.01 179.14 1a49 h HIS 3028N 1.20 -0.59 0.14 0.92 2.76 0.15 -1.92 115.15 117.82 1a49 h HIS 3028Ca 0.38 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.58 1a49 h HIS 3028Cb 0.01 0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 1a49 h HIS 3028CO -0.00 -0.31 -0.19 1.98 -1.30 0.00 0.00 177.93 178.11 1a49 h MET 3029N -0.34 -0.37 -1.12 5.26 -1.53 -0.63 -2.62 114.93 113.58 1a49 h MET 3029Ca 0.07 0.03 0.32 0.00 -3.44 0.00 0.00 59.70 56.67 1a49 h MET 3029Cb 0.43 0.08 -0.06 0.00 -0.55 0.00 0.00 31.60 31.50 1a49 h MET 3029CO -0.22 -0.25 0.79 0.00 0.14 0.00 0.00 176.91 177.37 1a49 n ARG 3031N -4.32 1.54 -1.84 0.00 1.74 -0.74 -4.91 116.66 108.13 1a49 n ARG 3031Ca 0.25 -0.80 -0.42 0.00 -0.77 0.00 0.00 57.85 56.12 1a49 n ARG 3031Cb 1.12 -1.42 -0.02 0.00 -1.02 0.00 0.00 32.46 31.12 1a49 n ARG 3031CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a49 s LEU 3032N -1.75 4.36 -0.17 0.55 1.43 0.16 -4.40 118.68 118.87 1a49 s LEU 3032Ca 0.35 2.81 0.00 0.00 -1.03 0.00 0.00 54.13 56.26 1a49 s LEU 3032Cb 0.18 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.83 1a49 s LEU 3032CO 0.29 -0.88 -0.10 -0.62 0.23 0.00 0.00 176.35 175.27 1a49 s ASP 3033N 0.81 3.03 0.29 2.29 -1.08 -1.26 -4.97 116.67 115.77 1a49 s ASP 3033Ca 0.67 -0.71 0.21 0.00 -0.52 0.00 0.00 52.55 52.21 1a49 s ASP 3033Cb -0.46 -1.12 1.08 0.00 -1.46 0.00 0.00 42.92 40.95 1a49 s ASP 3033CO 0.39 -0.13 1.65 2.30 0.52 0.00 0.00 175.17 179.90 1a49 n ILE 3034N 4.76 1.02 1.19 4.11 -5.35 -1.26 0.27 119.36 124.11 1a49 n ILE 3034Ca -0.14 0.60 0.12 0.00 -0.27 0.00 0.00 62.75 63.05 1a49 n ILE 3034Cb 0.48 -1.58 0.38 0.00 -1.74 0.00 0.00 39.64 37.18 1a49 n ILE 3034CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1a49 n ASP 3035N -2.22 1.97 -4.66 7.28 8.00 -1.26 -4.80 116.55 120.86 1a49 n ASP 3035Ca -0.00 -1.70 -0.39 0.00 0.71 0.00 0.00 54.79 53.40 1a49 n ASP 3035Cb 0.08 -0.07 -0.07 0.00 -0.02 0.00 0.00 41.12 41.04 1a49 n ASP 3035CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1a49 s SER 3036N -1.76 6.56 -0.13 -2.24 0.15 0.14 -4.92 113.70 111.49 1a49 s SER 3036Ca 0.35 0.67 -0.13 0.00 0.70 0.00 0.00 55.95 57.54 1a49 s SER 3036Cb 0.20 -2.29 -0.05 0.00 -1.71 0.00 0.00 66.02 62.17 1a49 s SER 3036CO 0.30 -0.18 0.29 0.00 1.20 0.00 0.00 173.24 174.84 1a49 s ALA 3037N 1.65 3.64 0.86 5.45 0.00 -1.26 -4.70 121.76 127.40 1a49 s ALA 3037Ca 0.24 -0.45 -0.12 0.00 0.00 0.00 0.00 51.96 51.63 1a49 s ALA 3037Cb -0.15 -2.33 0.11 0.00 0.00 0.00 0.00 23.12 20.74 1a49 s ALA 3037CO 0.10 0.21 1.14 -1.25 0.00 0.00 0.00 175.76 175.96 1a49 s PRO 3038N 0.07 1.57 1.01 0.00 0.04 -1.26 0.83 135.00 137.25 1a49 s PRO 3038Ca 0.17 0.28 -0.16 0.00 0.04 0.00 0.00 61.00 61.34 1a49 s PRO 3038Cb -0.13 -1.89 0.20 0.00 0.04 0.00 0.00 34.50 32.72 1a49 s PRO 3038CO 0.05 -1.90 1.20 0.96 0.04 0.00 0.00 177.00 177.35 1a49 s ILE 3039N -3.36 1.88 0.12 0.56 -4.36 -1.26 -4.79 121.20 109.99 1a49 s ILE 3039Ca 0.63 0.00 -0.02 0.00 -0.26 0.00 0.00 60.65 61.00 1a49 s ILE 3039Cb -0.13 -2.78 -0.21 0.00 1.25 0.00 0.00 42.46 40.58 1a49 s ILE 3039CO 0.52 0.00 1.26 0.71 0.24 0.00 0.00 174.94 177.67 1a49 h THR 3040N -1.85 1.49 -3.79 8.37 1.35 -1.96 -3.45 112.91 113.07 1a49 h THR 3040Ca -0.46 -2.81 -0.53 0.00 -0.55 0.00 0.00 66.41 62.06 1a49 h THR 3040Cb 1.28 2.67 0.08 0.00 -1.73 0.00 0.00 68.15 70.45 1a49 h THR 3040CO 0.45 0.82 0.71 0.00 -0.25 0.00 0.00 175.52 177.25 1a49 s ALA 3041N -2.97 3.55 -0.23 6.62 0.00 -1.26 -4.99 121.76 122.47 1a49 s ALA 3041Ca -0.04 1.37 -0.00 0.00 0.00 0.00 0.00 51.96 53.29 1a49 s ALA 3041Cb 0.09 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.70 1a49 s ALA 3041CO 0.86 -0.78 -0.10 0.50 0.00 0.00 0.00 175.76 176.23 1a49 s ARG 3042N -1.57 2.83 0.20 0.00 3.00 -1.26 -4.87 118.95 117.27 1a49 s ARG 3042Ca 0.52 -0.97 0.14 0.00 -1.00 0.00 0.00 55.73 54.43 1a49 s ARG 3042Cb -0.42 -2.87 -0.03 0.00 0.00 0.00 0.00 34.95 31.63 1a49 s ARG 3042CO 0.54 -0.36 1.26 -0.91 0.00 0.00 0.00 175.30 175.82 1a49 h ASN 3043N 7.97 0.00 -3.16 -2.12 -0.26 -1.93 -3.46 115.58 112.62 1a49 h ASN 3043Ca -0.35 0.00 -0.58 0.00 -0.56 0.00 0.00 56.30 54.81 1a49 h ASN 3043Cb 1.11 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 38.31 1a49 h ASN 3043CO 0.58 0.61 0.68 -0.89 -1.06 0.00 0.00 177.43 177.35 1a49 s THR 3044N -2.90 4.74 0.33 2.81 2.01 -1.26 0.12 115.64 121.48 1a49 s THR 3044Ca 0.02 1.93 -0.29 0.00 0.31 0.00 0.00 61.69 63.66 1a49 s THR 3044Cb 0.08 -4.27 -0.11 0.00 0.01 0.00 0.00 72.50 68.21 1a49 s THR 3044CO 0.77 -0.12 1.52 -0.83 -0.69 0.00 0.00 174.62 175.28 1a49 s GLY 3045N 1.20 2.53 -0.21 4.40 0.00 -1.06 -4.87 107.32 109.32 1a49 s GLY 3045Ca 0.43 1.54 -0.05 0.00 0.00 0.00 0.00 44.72 46.64 1a49 s GLY 3045CO 0.09 2.38 -0.01 -0.42 0.00 0.00 0.00 173.10 175.14 1a49 s ILE 3046N -0.54 3.84 -0.23 0.90 1.01 -1.26 -1.75 121.20 123.17 1a49 s ILE 3046Ca 0.58 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.82 1a49 s ILE 3046Cb -0.46 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 1a49 s ILE 3046CO 0.54 0.42 0.04 -0.63 0.00 0.00 0.00 174.94 175.32 1a49 s ILE 3047N 1.12 4.17 -0.14 2.92 1.01 -0.70 -0.31 121.20 129.28 1a49 s ILE 3047Ca 0.02 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.46 1a49 s ILE 3047Cb -0.14 -2.93 -0.00 0.00 0.01 0.00 0.00 42.46 39.40 1a49 s ILE 3047CO 0.01 0.38 -0.18 0.00 0.00 0.00 0.00 174.94 175.15 1a49 s THR 3049N 0.64 4.06 -0.21 0.00 2.01 -0.94 0.56 115.64 121.76 1a49 s THR 3049Ca -0.09 1.18 -0.14 0.00 0.31 0.00 0.00 61.69 62.95 1a49 s THR 3049Cb -0.16 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 1a49 s THR 3049CO 0.02 -0.48 0.32 -0.63 -0.69 0.00 0.00 174.62 173.17 1a49 s ILE 3050N 4.59 5.26 0.00 1.82 -1.09 0.61 -2.16 121.20 130.23 1a49 s ILE 3050Ca 0.59 0.54 0.00 0.00 -2.23 0.00 0.00 60.65 59.55 1a49 s ILE 3050Cb -0.17 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 1a49 s ILE 3050CO 0.25 0.29 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 1a49 n GLY 3051N 3.96 5.10 0.34 6.18 0.00 -1.25 -4.69 105.19 114.81 1a49 n GLY 3051Ca -0.11 -0.96 0.08 0.00 0.00 0.00 0.00 46.02 45.04 1a49 n GLY 3051CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a49 h PRO 3052N 0.00 0.77 0.00 1.61 0.11 -1.70 -1.02 132.00 131.77 1a49 h PRO 3052Ca 0.00 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 1a49 h PRO 3052Cb 0.00 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 1a49 h PRO 3052CO 0.00 0.51 -0.20 0.00 -0.21 0.00 0.00 178.00 178.10 1a49 h ALA 3053N 1.56 0.92 0.00 -0.75 0.00 -1.21 -3.34 119.26 116.44 1a49 h ALA 3053Ca 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1a49 h ALA 3053Cb 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1a49 h ALA 3053CO -0.32 0.25 0.00 -1.13 0.00 0.00 0.00 179.25 178.04 1a49 n SER 3054N -3.21 1.48 -0.22 0.00 3.41 -0.94 -4.84 113.62 109.31 1a49 n SER 3054Ca 0.02 -1.73 -0.06 0.00 -0.26 0.00 0.00 58.87 56.84 1a49 n SER 3054Cb 0.52 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.56 1a49 n SER 3054CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1a49 h ARG 3055N 0.00 1.05 -7.00 4.33 3.08 -1.32 -3.37 114.38 111.15 1a49 h ARG 3055Ca 0.00 -0.26 -0.54 0.00 0.07 0.00 0.00 59.98 59.26 1a49 h ARG 3055Cb 0.61 -0.14 0.11 0.00 0.08 0.00 0.00 29.97 30.63 1a49 h ARG 3055CO 0.00 0.94 0.64 -1.54 -1.07 0.00 0.00 179.97 178.94 1a49 s SER 3056N -6.51 5.81 0.23 7.04 1.04 -1.26 -4.76 113.70 115.28 1a49 s SER 3056Ca -0.11 2.76 -0.07 0.00 0.48 0.00 0.00 55.95 59.02 1a49 s SER 3056Cb 0.15 -2.64 0.32 0.00 0.10 0.00 0.00 66.02 63.95 1a49 s SER 3056CO 0.84 -1.21 1.82 0.58 0.98 0.00 0.00 173.24 176.25 1a49 h VAL 3057N 2.04 0.96 -0.54 5.02 2.07 -1.88 0.29 116.25 124.21 1a49 h VAL 3057Ca -0.50 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 1a49 h VAL 3057Cb 1.27 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1a49 h VAL 3057CO 0.60 0.14 0.08 -0.08 0.02 0.00 0.00 177.57 178.33 1a49 h GLU 3058N 0.78 0.85 -0.20 1.57 4.81 -1.94 -0.40 114.58 120.05 1a49 h GLU 3058Ca 0.35 -0.20 -0.10 0.00 -0.13 0.00 0.00 59.36 59.28 1a49 h GLU 3058Cb 0.25 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1a49 h GLU 3058CO -0.21 0.80 -0.27 1.15 -0.73 0.00 0.00 179.01 179.76 1a49 h THR 3059N 0.81 1.33 -0.70 0.32 2.02 -1.41 -3.13 112.91 112.16 1a49 h THR 3059Ca 0.17 -1.47 0.01 0.00 0.77 0.00 0.00 66.41 65.90 1a49 h THR 3059Cb 0.37 1.81 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 1a49 h THR 3059CO 0.01 0.45 0.46 -0.07 0.37 0.00 0.00 175.52 176.74 1a49 h LEU 3060N 0.21 0.78 -0.58 2.58 3.38 -0.17 0.75 115.31 122.26 1a49 h LEU 3060Ca 0.02 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1a49 h LEU 3060Cb 0.84 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 1a49 h LEU 3060CO 0.06 0.56 0.29 0.11 0.09 0.00 0.00 178.44 179.54 1a49 h LYS 3061N 0.91 0.52 -0.39 1.13 1.57 -1.02 0.84 116.57 120.13 1a49 h LYS 3061Ca 0.26 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 1a49 h LYS 3061Cb -0.06 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1a49 h LYS 3061CO -0.06 0.34 0.00 0.93 -0.57 0.00 0.00 179.45 180.09 1a49 h GLU 3062N 0.54 0.70 -0.99 3.15 4.39 -1.46 -1.36 114.58 119.55 1a49 h GLU 3062Ca 0.27 -0.22 0.09 0.00 0.34 0.00 0.00 59.36 59.83 1a49 h GLU 3062Cb 0.21 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.72 1a49 h GLU 3062CO -0.20 0.79 0.63 0.52 -1.16 0.00 0.00 179.01 179.58 1a49 h MET 3063N 0.52 1.05 -0.21 2.33 2.86 0.09 0.68 114.93 122.25 1a49 h MET 3063Ca 0.11 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 1a49 h MET 3063Cb 0.47 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1a49 h MET 3063CO 0.02 0.69 -0.13 0.82 1.06 0.00 0.00 176.91 179.37 1a49 h ILE 3064N 1.08 1.31 0.00 -1.22 2.04 -0.60 -1.52 117.51 118.60 1a49 h ILE 3064Ca 0.45 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 1a49 h ILE 3064Cb 0.30 1.66 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1a49 h ILE 3064CO -0.21 0.37 -0.05 0.11 0.00 0.00 0.00 178.15 178.37 1a49 h LYS 3065N 0.16 0.00 -0.00 2.37 1.57 -0.25 -1.65 116.57 118.77 1a49 h LYS 3065Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1a49 h LYS 3065Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1a49 h LYS 3065CO 0.04 0.05 -0.36 0.45 -0.57 0.00 0.00 179.45 179.05 1a49 n SER 3066N -4.46 0.46 0.00 0.86 2.88 0.23 -4.94 113.62 108.64 1a49 n SER 3066Ca -0.03 -0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.32 1a49 n SER 3066Cb 0.13 0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1a49 n SER 3066CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a49 n GLY 3067N 1.47 0.47 3.71 0.46 0.00 -0.62 -4.33 105.19 106.35 1a49 n GLY 3067Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1a49 n GLY 3067CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1a49 s MET 3068N 0.00 4.13 -0.09 1.61 -2.45 -0.66 -4.47 119.30 117.37 1a49 s MET 3068Ca 0.00 2.60 0.13 0.00 -1.25 0.00 0.00 55.69 57.17 1a49 s MET 3068Cb 0.00 -3.27 -0.18 0.00 1.25 0.00 0.00 34.83 32.63 1a49 s MET 3068CO 0.00 -0.78 0.13 0.09 1.05 0.00 0.00 175.02 175.51 1a49 n ASN 3069N 4.61 1.75 -3.90 1.11 4.13 0.57 -4.70 115.26 118.83 1a49 n ASN 3069Ca 0.17 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.29 1a49 n ASN 3069Cb 0.36 1.10 -0.14 0.00 -1.54 0.00 0.00 39.78 39.56 1a49 n ASN 3069CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1a49 s VAL 3070N -2.54 0.19 -0.15 2.41 1.01 -0.92 -1.68 120.40 118.71 1a49 s VAL 3070Ca -0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1a49 s VAL 3070Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.24 1a49 s VAL 3070CO 0.56 0.06 -0.06 0.00 0.00 0.00 0.00 175.10 175.66 1a49 s ALA 3071N 0.01 2.90 -0.21 5.51 0.00 -0.74 -0.69 121.76 128.54 1a49 s ALA 3071Ca 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 1a49 s ALA 3071Cb -0.02 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 1a49 s ALA 3071CO -0.00 0.19 -0.04 0.50 0.00 0.00 0.00 175.76 176.40 1a49 s ARG 3072N 0.42 3.42 -0.31 0.00 3.52 0.19 -0.91 118.95 125.28 1a49 s ARG 3072Ca -0.05 -0.61 -0.12 0.00 -0.13 0.00 0.00 55.73 54.81 1a49 s ARG 3072Cb -0.15 -2.98 -0.03 0.00 -1.56 0.00 0.00 34.95 30.23 1a49 s ARG 3072CO 0.03 -0.11 0.23 -1.64 -0.81 0.00 0.00 175.30 173.00 1a49 s MET 3073N 1.27 3.70 -0.41 5.12 -1.94 -0.37 -0.28 119.30 126.39 1a49 s MET 3073Ca 0.03 -0.48 -0.20 0.00 -1.71 0.00 0.00 55.69 53.33 1a49 s MET 3073Cb -0.14 -3.74 0.02 0.00 2.01 0.00 0.00 34.83 32.97 1a49 s MET 3073CO -0.01 -0.34 0.61 1.21 -0.01 0.00 0.00 175.02 176.48 1a49 s ASN 3074N 1.74 6.33 0.34 3.03 3.84 -1.26 -1.34 114.94 127.62 1a49 s ASN 3074Ca 0.07 -0.23 0.25 0.00 0.21 0.00 0.00 52.86 53.17 1a49 s ASN 3074Cb -0.17 -2.31 1.21 0.00 -0.55 0.00 0.00 41.25 39.44 1a49 s ASN 3074CO 0.11 -0.69 1.77 -0.26 -2.79 0.00 0.00 177.10 175.23 1a49 h PHE 3075N 8.73 0.00 0.00 0.43 -1.00 -0.62 -1.27 116.94 123.22 1a49 h PHE 3075Ca -0.26 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.52 1a49 h PHE 3075Cb 1.10 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.66 1a49 h PHE 3075CO 0.72 0.00 0.00 0.77 -1.61 0.00 0.00 178.31 178.19 1a49 h SER 3076N 0.00 0.00 -2.49 2.17 0.02 -1.79 -3.44 113.55 108.02 1a49 h SER 3076Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 1a49 h SER 3076Cb 0.19 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.60 1a49 h SER 3076CO 0.00 0.00 -0.59 -1.00 -1.14 0.00 0.00 176.83 174.10 1a49 s HIS 3077N -4.01 2.13 0.00 3.45 3.76 -0.48 -4.96 115.29 115.18 1a49 s HIS 3077Ca -0.04 -0.89 0.00 0.00 -0.15 0.00 0.00 55.06 53.98 1a49 s HIS 3077Cb 0.12 -1.46 0.00 0.00 1.11 0.00 0.00 32.58 32.34 1a49 s HIS 3077CO 0.39 0.15 0.00 0.41 -0.85 0.00 0.00 174.74 174.84 1a49 n GLY 3078N -0.84 0.88 3.44 -2.22 0.00 -1.26 -4.87 105.19 100.32 1a49 n GLY 3078Ca -0.05 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 1a49 n GLY 3078CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a49 s THR 3079N 0.00 0.00 0.26 2.61 -4.23 -1.26 -5.00 115.64 108.03 1a49 s THR 3079Ca 0.00 -1.65 -0.03 0.00 -1.18 0.00 0.00 61.69 58.83 1a49 s THR 3079Cb 0.00 -2.47 0.17 0.00 1.34 0.00 0.00 72.50 71.55 1a49 s THR 3079CO 0.00 0.00 1.84 0.45 -0.54 0.00 0.00 174.62 176.37 1a49 h HIS 3080N 2.27 0.99 -0.39 3.99 -0.00 -1.99 -1.59 115.15 118.43 1a49 h HIS 3080Ca -0.29 -0.07 -0.00 0.00 -0.00 0.00 0.00 60.37 60.01 1a49 h HIS 3080Cb 1.24 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 28.34 1a49 h HIS 3080CO 0.92 0.76 0.23 1.49 -0.00 0.00 0.00 177.93 181.33 1a49 h GLU 3081N 0.96 0.54 0.48 2.45 4.81 -1.99 0.23 114.58 122.06 1a49 h GLU 3081Ca 0.22 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1a49 h GLU 3081Cb 0.20 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1a49 h GLU 3081CO -0.02 0.41 -0.24 -0.92 -0.73 0.00 0.00 179.01 177.51 1a49 h TYR 3082N 0.51 -0.64 -0.59 0.92 5.03 -1.79 -2.79 116.97 117.61 1a49 h TYR 3082Ca 0.14 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.48 1a49 h TYR 3082Cb 0.02 0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.48 1a49 h TYR 3082CO -0.03 -0.39 0.39 0.45 -1.32 0.00 0.00 178.16 177.26 1a49 h HIS 3083N -0.66 0.63 -0.48 -3.82 3.86 -1.01 -0.86 115.15 112.81 1a49 h HIS 3083Ca -0.06 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.07 1a49 h HIS 3083Cb 0.52 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 1a49 h HIS 3083CO -0.05 0.36 -0.09 0.00 0.86 0.00 0.00 177.93 179.01 1a49 h ALA 3084N 1.66 0.93 -0.06 2.45 0.00 -0.54 0.20 119.26 123.90 1a49 h ALA 3084Ca 0.24 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 1a49 h ALA 3084Cb 0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1a49 h ALA 3084CO -0.07 0.63 -0.75 1.49 0.00 0.00 0.00 179.25 180.54 1a49 h GLU 3085N 0.79 0.38 0.67 0.00 4.81 -1.07 -0.35 114.58 119.81 1a49 h GLU 3085Ca 0.13 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 59.01 1a49 h GLU 3085Cb 0.60 0.07 0.01 0.00 0.63 0.00 0.00 28.75 30.06 1a49 h GLU 3085CO 0.04 0.97 -0.32 1.15 -0.73 0.00 0.00 179.01 180.12 1a49 h THR 3086N 0.25 0.34 -0.88 0.32 2.02 -0.91 0.61 112.91 114.67 1a49 h THR 3086Ca -0.03 -0.01 0.21 0.00 0.77 0.00 0.00 66.41 67.35 1a49 h THR 3086Cb 1.34 0.35 -0.12 0.00 -1.74 0.00 0.00 68.15 67.97 1a49 h THR 3086CO 0.13 0.00 0.38 0.40 0.37 0.00 0.00 175.52 176.80 1a49 h ILE 3087N -0.90 0.50 -0.08 3.11 2.04 -0.89 0.24 117.51 121.52 1a49 h ILE 3087Ca -0.09 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1a49 h ILE 3087Cb 0.69 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1a49 h ILE 3087CO 0.15 0.08 0.05 0.50 0.00 0.00 0.00 178.15 178.92 1a49 h LYS 3088N 0.42 0.11 -0.34 2.37 3.64 -0.59 -1.27 116.57 120.91 1a49 h LYS 3088Ca 0.54 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.94 1a49 h LYS 3088Cb 1.00 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 1a49 h LYS 3088CO -0.51 0.14 0.13 -0.91 -2.27 0.00 0.00 179.45 176.02 1a49 h ASN 3089N 0.06 0.15 -0.45 4.20 -0.26 0.17 -0.40 115.58 119.04 1a49 h ASN 3089Ca 0.03 0.03 0.09 0.00 -0.56 0.00 0.00 56.30 55.89 1a49 h ASN 3089Cb 0.05 0.01 -0.10 0.00 -1.06 0.00 0.00 38.32 37.23 1a49 h ASN 3089CO -0.01 0.12 -0.27 0.58 -1.06 0.00 0.00 177.43 176.80 1a49 h VAL 3090N 0.28 0.29 -0.14 2.81 2.07 -0.69 0.55 116.25 121.41 1a49 h VAL 3090Ca 0.15 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.60 1a49 h VAL 3090Cb 0.11 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1a49 h VAL 3090CO -0.14 0.00 -0.22 0.03 0.02 0.00 0.00 177.57 177.25 1a49 h ARG 3091N -0.18 0.23 -0.12 1.57 3.08 -0.90 0.87 114.38 118.94 1a49 h ARG 3091Ca 0.21 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.10 1a49 h ARG 3091Cb 0.50 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1a49 h ARG 3091CO -0.56 0.45 -0.25 1.15 -1.07 0.00 0.00 179.97 179.70 1a49 h THR 3092N 0.21 1.38 0.09 2.04 2.02 -0.08 -1.02 112.91 117.55 1a49 h THR 3092Ca 0.04 -1.52 -0.00 0.00 0.77 0.00 0.00 66.41 65.69 1a49 h THR 3092Cb 0.52 2.07 -0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1a49 h THR 3092CO 0.04 0.45 -0.05 0.00 0.37 0.00 0.00 175.52 176.32 1a49 h ALA 3093N 0.53 -0.13 -0.41 6.16 0.00 0.64 -1.10 119.26 124.96 1a49 h ALA 3093Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1a49 h ALA 3093Cb 0.84 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 1a49 h ALA 3093CO 0.05 -0.57 -0.14 1.15 0.00 0.00 0.00 179.25 179.74 1a49 h THR 3094N -0.13 0.52 0.00 0.00 2.02 -0.90 -1.26 112.91 113.16 1a49 h THR 3094Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1a49 h THR 3094Cb 0.10 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1a49 h THR 3094CO 0.02 0.00 0.00 -0.33 0.37 0.00 0.00 175.52 175.58 1a49 h GLU 3095N -0.05 0.00 0.00 6.66 4.39 -0.75 -2.56 114.58 122.27 1a49 h GLU 3095Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1a49 h GLU 3095Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1a49 h GLU 3095CO -0.45 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.27 1a49 n SER 3096N -2.38 0.42 -0.50 1.42 3.41 -0.46 -1.52 113.62 114.01 1a49 n SER 3096Ca 0.02 0.68 0.07 0.00 -0.26 0.00 0.00 58.87 59.38 1a49 n SER 3096Cb 0.26 -0.74 0.05 0.00 -0.26 0.00 0.00 64.21 63.52 1a49 n SER 3096CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1a49 n PHE 3097N -2.05 0.00 0.31 7.33 3.72 -0.97 -4.60 117.46 121.20 1a49 n PHE 3097Ca -0.00 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.59 1a49 n PHE 3097Cb 0.05 0.00 1.04 0.00 -0.94 0.00 0.00 39.48 39.63 1a49 n PHE 3097CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a49 h ALA 3098N 2.64 1.06 0.00 4.37 0.00 -1.42 -2.64 119.26 123.27 1a49 h ALA 3098Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1a49 h ALA 3098Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1a49 h ALA 3098CO 0.00 -0.06 -0.06 0.66 0.00 0.00 0.00 179.25 179.79 1a49 h SER 3099N 0.00 -0.18 -3.42 0.00 4.64 -1.81 -3.34 113.55 109.43 1a49 h SER 3099Ca 0.00 0.03 -0.76 0.00 -0.47 0.00 0.00 61.79 60.59 1a49 h SER 3099Cb 0.12 0.08 -0.24 0.00 -0.31 0.00 0.00 62.40 62.05 1a49 h SER 3099CO 0.00 -0.09 0.22 -0.62 -0.87 0.00 0.00 176.83 175.47 1a49 s ASP 3100N -5.10 6.66 0.00 4.97 2.15 -0.99 -4.89 116.67 119.47 1a49 s ASP 3100Ca -0.14 -2.42 0.00 0.00 0.43 0.00 0.00 52.55 50.43 1a49 s ASP 3100Cb 0.07 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 1a49 s ASP 3100CO 0.66 -0.73 0.51 -0.81 -0.17 0.00 0.00 175.17 174.64 1a49 n PRO 3101N 4.74 0.00 -0.12 4.34 -0.04 -1.26 0.16 135.00 142.82 1a49 n PRO 3101Ca 0.12 0.04 0.04 0.00 -0.04 0.00 0.00 63.50 63.67 1a49 n PRO 3101Cb 0.47 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.53 1a49 n PRO 3101CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1a49 n ILE 3102N -1.01 0.88 -0.94 0.52 5.41 -1.26 -4.32 119.36 118.63 1a49 n ILE 3102Ca 0.00 -0.94 0.00 0.00 1.00 0.00 0.00 62.75 62.81 1a49 n ILE 3102Cb 0.00 0.58 0.00 0.00 -0.71 0.00 0.00 39.64 39.51 1a49 n ILE 3102CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1a49 n LEU 3103N 0.31 0.07 -4.67 1.39 7.94 0.42 -4.79 117.00 117.67 1a49 n LEU 3103Ca 0.09 -0.07 -0.40 0.00 -1.11 0.00 0.00 56.01 54.51 1a49 n LEU 3103Cb 0.37 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.26 1a49 n LEU 3103CO 0.06 0.02 0.40 -0.47 -1.11 0.00 0.00 177.39 176.29 1a49 s TYR 3104N -0.02 3.40 -0.22 1.96 5.04 0.36 -4.95 117.35 122.92 1a49 s TYR 3104Ca 0.00 0.99 -0.03 0.00 -2.44 0.00 0.00 57.07 55.59 1a49 s TYR 3104Cb 0.00 -2.82 0.01 0.00 0.35 0.00 0.00 41.96 39.50 1a49 s TYR 3104CO 0.00 -0.15 -0.07 1.03 -1.34 0.00 0.00 175.55 175.02 1a49 s ARG 3105N 1.81 3.18 0.40 4.97 0.52 -1.26 -4.90 118.95 123.66 1a49 s ARG 3105Ca 0.30 -0.75 -0.26 0.00 -0.52 0.00 0.00 55.73 54.50 1a49 s ARG 3105Cb -0.16 -2.95 -0.09 0.00 0.52 0.00 0.00 34.95 32.27 1a49 s ARG 3105CO 0.11 -0.26 1.34 -2.14 0.02 0.00 0.00 175.30 174.37 1a49 s PRO 3106N 1.41 4.00 -0.13 3.54 0.02 -1.26 -4.98 135.00 137.60 1a49 s PRO 3106Ca 0.04 2.24 -0.00 0.00 0.02 0.00 0.00 61.00 63.30 1a49 s PRO 3106Cb -0.15 -2.81 0.02 0.00 0.02 0.00 0.00 34.50 31.59 1a49 s PRO 3106CO -0.05 -0.49 -0.11 0.08 -0.33 0.00 0.00 177.00 176.10 1a49 s VAL 3107N -1.22 1.32 0.40 3.83 1.01 -1.26 -4.89 120.40 119.59 1a49 s VAL 3107Ca 0.56 -0.49 -0.23 0.00 0.00 0.00 0.00 61.98 61.82 1a49 s VAL 3107Cb -0.40 -1.29 -0.10 0.00 0.00 0.00 0.00 36.38 34.60 1a49 s VAL 3107CO 0.52 0.40 0.98 0.00 0.00 0.00 0.00 175.10 176.99 1a49 s ALA 3108N 1.59 3.07 -0.15 5.51 0.00 -0.68 -4.93 121.76 126.18 1a49 s ALA 3108Ca 0.05 0.51 -0.04 0.00 0.00 0.00 0.00 51.96 52.48 1a49 s ALA 3108Cb -0.13 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 1a49 s ALA 3108CO -0.09 0.03 -0.03 0.08 0.00 0.00 0.00 175.76 175.75 1a49 s VAL 3109N -1.91 4.01 -0.04 0.00 1.01 -1.26 -1.80 120.40 120.41 1a49 s VAL 3109Ca 0.59 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.26 1a49 s VAL 3109Cb -0.15 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.50 1a49 s VAL 3109CO 0.19 0.50 -0.07 0.00 0.00 0.00 0.00 175.10 175.72 1a49 s ALA 3110N 0.22 0.80 -0.27 5.51 0.00 -0.09 0.37 121.76 128.30 1a49 s ALA 3110Ca -0.02 -0.20 -0.09 0.00 0.00 0.00 0.00 51.96 51.65 1a49 s ALA 3110Cb -0.14 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1a49 s ALA 3110CO 0.03 0.07 0.14 -1.17 0.00 0.00 0.00 175.76 174.83 1a49 s LEU 3111N 0.56 3.78 -0.33 0.00 0.20 -0.95 -1.23 118.68 120.71 1a49 s LEU 3111Ca -0.09 -0.09 -0.12 0.00 0.69 0.00 0.00 54.13 54.52 1a49 s LEU 3111Cb -0.12 -2.04 -0.02 0.00 -0.43 0.00 0.00 46.19 43.58 1a49 s LEU 3111CO 0.01 -0.04 0.23 -0.62 -0.29 0.00 0.00 176.35 175.63 1a49 s ASP 3112N 1.69 6.03 0.91 3.68 -1.08 -0.45 -0.16 116.67 127.29 1a49 s ASP 3112Ca 0.07 -0.33 -0.11 0.00 -0.52 0.00 0.00 52.55 51.65 1a49 s ASP 3112Cb -0.16 -2.13 0.14 0.00 -1.46 0.00 0.00 42.92 39.32 1a49 s ASP 3112CO 0.08 -0.19 1.09 -0.89 0.52 0.00 0.00 175.17 175.78 1a49 s THR 3113N 1.73 2.59 -0.20 1.71 2.01 -0.46 0.09 115.64 123.11 1a49 s THR 3113Ca 0.06 0.19 -0.17 0.00 0.31 0.00 0.00 61.69 62.09 1a49 s THR 3113Cb -0.17 -2.58 -0.13 0.00 0.01 0.00 0.00 72.50 69.63 1a49 s THR 3113CO 0.10 -0.25 -0.02 0.29 -0.69 0.00 0.00 174.62 174.05 1a49 n LYS 3114N -4.00 0.54 0.00 4.92 5.02 -1.26 -4.42 118.16 118.96 1a49 n LYS 3114Ca 0.07 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1a49 n LYS 3114Cb 0.55 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 1a49 n LYS 3114CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a49 n GLY 3115N 1.45 -0.90 2.63 0.72 0.00 -1.26 -4.05 105.19 103.78 1a49 n GLY 3115Ca -0.28 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.47 1a49 n GLY 3115CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a49 n PRO 3116N -0.99 1.70 -4.01 1.61 -0.04 -1.26 -4.84 135.00 127.16 1a49 n PRO 3116Ca 0.00 -1.23 -0.27 0.00 -0.04 0.00 0.00 63.50 61.96 1a49 n PRO 3116Cb 0.00 -2.32 -0.02 0.00 -0.04 0.00 0.00 33.50 31.12 1a49 n PRO 3116CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1a49 s GLU 3117N 3.48 2.26 -0.14 0.54 -1.05 -1.26 -4.94 118.70 117.58 1a49 s GLU 3117Ca 0.33 -2.04 0.02 0.00 -0.15 0.00 0.00 54.97 53.13 1a49 s GLU 3117Cb 0.09 -2.02 0.00 0.00 -0.44 0.00 0.00 34.13 31.77 1a49 s GLU 3117CO -0.03 -0.53 -0.19 0.42 0.95 0.00 0.00 175.26 175.88 1a49 s ILE 3118N -2.76 2.31 0.10 1.83 1.01 -1.26 -4.96 121.20 117.47 1a49 s ILE 3118Ca 0.31 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 60.13 1a49 s ILE 3118Cb -0.01 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 1a49 s ILE 3118CO 0.19 0.54 -0.16 -0.13 0.00 0.00 0.00 174.94 175.37 1a49 s ARG 3119N 0.80 1.01 0.91 2.79 1.81 -1.26 -1.42 118.95 123.59 1a49 s ARG 3119Ca -0.07 -1.14 -0.12 0.00 -1.72 0.00 0.00 55.73 52.68 1a49 s ARG 3119Cb -0.15 -1.04 0.19 0.00 -0.45 0.00 0.00 34.95 33.49 1a49 s ARG 3119CO -0.01 0.22 1.25 0.95 -0.68 0.00 0.00 175.30 177.04 1a49 s THR 3120N -1.60 2.02 0.00 0.02 -4.23 0.11 -1.32 115.64 110.65 1a49 s THR 3120Ca 0.05 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 1a49 s THR 3120Cb -0.08 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1a49 s THR 3120CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1a49 n GLY 3121N -3.57 1.51 3.76 3.99 0.00 0.34 -3.53 105.19 107.69 1a49 n GLY 3121Ca 0.16 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 43.83 1a49 n GLY 3121CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a49 s LEU 3122N 0.00 4.37 -0.27 0.99 1.43 -0.97 -0.23 118.68 124.00 1a49 s LEU 3122Ca 0.00 1.03 -0.25 0.00 -1.03 0.00 0.00 54.13 53.89 1a49 s LEU 3122Cb 0.00 -2.82 -0.00 0.00 0.03 0.00 0.00 46.19 43.40 1a49 s LEU 3122CO 0.00 0.08 0.84 -0.63 0.23 0.00 0.00 176.35 176.87 1a49 s ILE 3123N 0.01 4.79 -1.72 -0.59 -1.09 -1.24 0.48 121.20 121.83 1a49 s ILE 3123Ca 0.29 1.44 -0.19 0.00 -2.23 0.00 0.00 60.65 59.97 1a49 s ILE 3123Cb -0.17 -4.16 0.16 0.00 -1.58 0.00 0.00 42.46 36.71 1a49 s ILE 3123CO 0.15 -0.18 0.74 0.29 -1.23 0.00 0.00 174.94 174.71 1a49 n LYS 3124N 6.17 -2.79 -1.63 2.79 5.02 -0.51 -0.06 118.16 127.15 1a49 n LYS 3124Ca 0.06 0.34 -0.18 0.00 -2.02 0.00 0.00 58.31 56.51 1a49 n LYS 3124Cb 0.48 -5.01 -0.07 0.00 -0.02 0.00 0.00 35.03 30.41 1a49 n LYS 3124CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a49 n GLY 3125N -1.38 1.42 3.17 0.72 0.00 -0.33 -4.98 105.19 103.80 1a49 n GLY 3125Ca 0.06 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1a49 n GLY 3125CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a49 s SER 3126N -2.73 2.83 0.00 1.61 0.15 0.92 -5.00 113.70 111.48 1a49 s SER 3126Ca 0.00 -0.51 0.11 0.00 0.70 0.00 0.00 55.95 56.25 1a49 s SER 3126Cb 0.00 -1.29 0.52 0.00 -1.71 0.00 0.00 66.02 63.53 1a49 s SER 3126CO 0.00 0.12 1.32 0.61 1.20 0.00 0.00 173.24 176.49 1a49 n GLY 3127N 3.71 -0.80 0.00 9.45 0.00 -1.26 -3.19 105.19 113.10 1a49 n GLY 3127Ca -0.20 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1a49 n GLY 3127CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a49 n THR 3128N -1.41 0.05 -2.83 2.61 -2.24 -1.26 -4.62 114.28 104.57 1a49 n THR 3128Ca 0.04 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 61.02 1a49 n THR 3128Cb 0.11 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 1a49 n THR 3128CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a49 s ALA 3129N -0.05 3.37 0.10 6.98 0.00 -1.19 -4.96 121.76 126.00 1a49 s ALA 3129Ca 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 51.96 51.60 1a49 s ALA 3129Cb 0.00 -2.67 -0.00 0.00 0.00 0.00 0.00 23.12 20.45 1a49 s ALA 3129CO 0.00 -0.06 0.21 -1.83 0.00 0.00 0.00 175.76 174.08 1a49 s GLU 3130N -3.99 0.90 0.03 0.00 -1.05 -1.26 -3.40 118.70 109.92 1a49 s GLU 3130Ca 0.50 -0.98 0.02 0.00 -0.15 0.00 0.00 54.97 54.37 1a49 s GLU 3130Cb -0.10 0.35 -0.02 0.00 -0.44 0.00 0.00 34.13 33.92 1a49 s GLU 3130CO 0.34 -0.30 -0.08 0.54 0.95 0.00 0.00 175.26 176.71 1a49 s VAL 3131N -3.87 0.59 -0.31 1.83 0.11 0.24 -4.92 120.40 114.06 1a49 s VAL 3131Ca 0.07 -0.87 -0.16 0.00 -2.93 0.00 0.00 61.98 58.08 1a49 s VAL 3131Cb 0.05 -0.60 -0.02 0.00 -1.53 0.00 0.00 36.38 34.27 1a49 s VAL 3131CO -0.10 -0.21 0.44 -0.70 -3.33 0.00 0.00 175.10 171.20 1a49 s GLU 3132N -1.18 3.79 0.26 1.54 2.12 -1.26 0.87 118.70 124.83 1a49 s GLU 3132Ca -0.06 -0.10 -0.14 0.00 0.36 0.00 0.00 54.97 55.04 1a49 s GLU 3132Cb -0.08 -3.74 -0.08 0.00 0.26 0.00 0.00 34.13 30.49 1a49 s GLU 3132CO 0.00 -0.47 0.66 -0.51 -0.54 0.00 0.00 175.26 174.41 1a49 s LEU 3133N 2.20 4.16 -0.06 2.70 1.02 0.15 -4.93 118.68 123.92 1a49 s LEU 3133Ca 0.16 1.17 0.04 0.00 0.02 0.00 0.00 54.13 55.52 1a49 s LEU 3133Cb -0.16 -3.80 -0.02 0.00 0.02 0.00 0.00 46.19 42.23 1a49 s LEU 3133CO 0.11 -0.10 -0.17 -0.54 0.02 0.00 0.00 176.35 175.68 1a49 s LYS 3134N -2.68 2.59 0.24 1.70 -0.14 -1.26 -2.18 119.74 118.01 1a49 s LYS 3134Ca 0.49 -0.75 -0.31 0.00 -1.36 0.00 0.00 55.97 54.03 1a49 s LYS 3134Cb -0.12 -2.35 -0.13 0.00 -1.68 0.00 0.00 37.83 33.56 1a49 s LYS 3134CO 0.19 0.52 1.52 1.17 -0.76 0.00 0.00 175.35 177.99 1a49 n LYS 3135N 2.59 2.29 0.00 1.68 4.81 -1.26 -0.51 118.16 127.76 1a49 n LYS 3135Ca -0.17 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 1a49 n LYS 3135Cb 0.52 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 33.02 1a49 n LYS 3135CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a49 n GLY 3136N 2.56 3.00 3.60 3.14 0.00 0.16 -4.97 105.19 112.69 1a49 n GLY 3136Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1a49 n GLY 3136CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 n ALA 3137N -0.49 -0.83 -2.83 4.61 0.00 0.34 -4.39 120.51 116.90 1a49 n ALA 3137Ca 0.00 -0.38 -0.36 0.00 0.00 0.00 0.00 53.44 52.69 1a49 n ALA 3137Cb 0.00 -2.09 -0.07 0.00 0.00 0.00 0.00 19.45 17.29 1a49 n ALA 3137CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1a49 s THR 3138N -2.17 5.45 -0.03 0.00 2.01 -1.26 0.77 115.64 120.40 1a49 s THR 3138Ca 0.68 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.89 1a49 s THR 3138Cb -0.28 -3.41 0.02 0.00 0.01 0.00 0.00 72.50 68.84 1a49 s THR 3138CO 0.56 0.57 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.80 1a49 s LEU 3139N -0.62 1.41 -0.27 4.42 2.96 0.45 -4.85 118.68 122.18 1a49 s LEU 3139Ca 0.13 -0.09 -0.12 0.00 -0.22 0.00 0.00 54.13 53.82 1a49 s LEU 3139Cb -0.12 -0.35 -0.05 0.00 0.50 0.00 0.00 46.19 46.17 1a49 s LEU 3139CO 0.02 -0.04 0.25 -0.75 -1.32 0.00 0.00 176.35 174.51 1a49 s LYS 3140N 0.74 3.98 -0.12 1.98 2.20 -0.64 -0.22 119.74 127.66 1a49 s LYS 3140Ca -0.09 -0.20 -0.13 0.00 -0.36 0.00 0.00 55.97 55.20 1a49 s LYS 3140Cb -0.12 -3.65 -0.05 0.00 -1.51 0.00 0.00 37.83 32.50 1a49 s LYS 3140CO -0.00 -0.20 0.29 0.42 -0.36 0.00 0.00 175.35 175.49 1a49 s ILE 3141N 1.83 5.28 0.08 5.43 1.01 -0.24 0.14 121.20 134.73 1a49 s ILE 3141Ca 0.10 0.54 0.07 0.00 0.00 0.00 0.00 60.65 61.36 1a49 s ILE 3141Cb -0.16 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 1a49 s ILE 3141CO 0.10 0.48 -0.19 -0.89 0.00 0.00 0.00 174.94 174.45 1a49 s THR 3142N -0.20 1.50 -1.31 2.92 2.01 -0.24 -0.58 115.64 119.75 1a49 s THR 3142Ca 0.18 -1.40 0.23 0.00 0.31 0.00 0.00 61.69 61.00 1a49 s THR 3142Cb -0.14 -1.38 -0.09 0.00 0.01 0.00 0.00 72.50 70.91 1a49 s THR 3142CO 0.06 -0.07 1.10 0.18 -0.69 0.00 0.00 174.62 175.20 1a49 n LEU 3143N 1.29 1.15 -4.58 4.42 4.32 0.31 -3.37 117.00 120.54 1a49 n LEU 3143Ca -0.20 -0.45 -0.40 0.00 -0.02 0.00 0.00 56.01 54.94 1a49 n LEU 3143Cb 0.54 -0.06 -0.03 0.00 -1.62 0.00 0.00 43.42 42.25 1a49 n LEU 3143CO 0.22 0.25 1.64 -0.62 -1.22 0.00 0.00 177.39 177.66 1a49 s ASP 3144N -2.83 5.47 0.00 -1.43 -1.08 -1.26 -4.84 116.67 110.69 1a49 s ASP 3144Ca 0.12 0.97 0.00 0.00 -0.52 0.00 0.00 52.55 53.12 1a49 s ASP 3144Cb 0.17 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 1a49 s ASP 3144CO 0.74 -2.11 0.57 0.59 0.52 0.00 0.00 175.17 175.48 1a49 n ASN 3145N 11.94 0.00 0.01 -0.34 5.03 -1.26 0.76 115.26 131.39 1a49 n ASN 3145Ca 0.24 0.16 0.13 0.00 0.87 0.00 0.00 54.58 55.98 1a49 n ASN 3145Cb 0.50 -0.16 0.39 0.00 -1.02 0.00 0.00 39.78 39.48 1a49 n ASN 3145CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a49 n ALA 3146N -1.07 2.97 0.96 5.41 0.00 -1.26 -2.84 120.51 124.69 1a49 n ALA 3146Ca 0.00 -0.23 0.11 0.00 0.00 0.00 0.00 53.44 53.32 1a49 n ALA 3146Cb 0.13 -1.27 0.05 0.00 0.00 0.00 0.00 19.45 18.36 1a49 n ALA 3146CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a49 n TYR 3147N -1.59 0.00 -0.16 0.00 4.01 0.23 -4.58 117.16 115.07 1a49 n TYR 3147Ca 0.06 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.76 1a49 n TYR 3147Cb 0.35 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.34 1a49 n TYR 3147CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 1a49 n MET 3148N 0.67 -0.16 -1.08 -0.72 1.56 -1.13 0.65 117.12 116.91 1a49 n MET 3148Ca 0.11 0.90 -0.17 0.00 -0.27 0.00 0.00 57.70 58.28 1a49 n MET 3148Cb 0.52 -1.33 0.19 0.00 2.15 0.00 0.00 33.22 34.75 1a49 n MET 3148CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1a49 n GLU 3149N -3.85 2.22 -2.18 2.12 1.02 -1.26 -2.29 120.64 116.42 1a49 n GLU 3149Ca 0.01 -3.07 -0.09 0.00 -0.02 0.00 0.00 57.16 53.98 1a49 n GLU 3149Cb 0.10 -2.07 0.05 0.00 -0.02 0.00 0.00 31.44 29.50 1a49 n GLU 3149CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1a49 n LYS 3150N -1.08 2.36 -1.84 3.49 5.02 0.21 -1.19 118.16 125.13 1a49 n LYS 3150Ca 0.50 -3.64 -0.32 0.00 -2.02 0.00 0.00 58.31 52.84 1a49 n LYS 3150Cb 1.46 -1.75 0.03 0.00 -0.02 0.00 0.00 35.03 34.74 1a49 n LYS 3150CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a49 n ASP 3152N -2.53 0.00 0.00 0.00 5.68 -0.37 -1.43 116.55 117.90 1a49 n ASP 3152Ca 0.08 -0.50 0.08 0.00 -0.50 0.00 0.00 54.79 53.95 1a49 n ASP 3152Cb 0.53 0.00 0.41 0.00 -1.14 0.00 0.00 41.12 40.92 1a49 n ASP 3152CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1a49 n GLU 3153N 0.00 0.19 -0.05 0.11 0.00 -1.26 -3.13 120.64 116.50 1a49 n GLU 3153Ca 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 57.16 57.25 1a49 n GLU 3153Cb 0.00 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 29.87 1a49 n GLU 3153CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1a49 n ASN 3154N -1.33 2.71 -4.09 -1.84 5.03 -1.26 -4.80 115.26 109.68 1a49 n ASN 3154Ca 0.07 -0.01 -0.26 0.00 0.87 0.00 0.00 54.58 55.25 1a49 n ASN 3154Cb 0.14 0.57 -0.16 0.00 -1.02 0.00 0.00 39.78 39.31 1a49 n ASN 3154CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a49 s ILE 3155N -2.23 1.40 -0.25 2.41 1.01 -1.18 -1.63 121.20 120.72 1a49 s ILE 3155Ca -0.07 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 59.95 1a49 s ILE 3155Cb 0.03 -1.23 0.06 0.00 0.01 0.00 0.00 42.46 41.33 1a49 s ILE 3155CO 0.37 0.41 -0.10 -0.22 0.00 0.00 0.00 174.94 175.41 1a49 s LEU 3156N 0.40 3.13 0.27 2.97 0.20 0.38 -1.23 118.68 124.80 1a49 s LEU 3156Ca -0.12 -1.30 -0.25 0.00 0.69 0.00 0.00 54.13 53.15 1a49 s LEU 3156Cb -0.15 -1.43 -0.09 0.00 -0.43 0.00 0.00 46.19 44.09 1a49 s LEU 3156CO 0.04 -0.20 0.87 0.86 -0.29 0.00 0.00 176.35 177.64 1a49 s TRP 3157N 1.20 3.73 -0.00 5.38 -0.00 -1.26 -1.08 118.94 126.91 1a49 s TRP 3157Ca -0.08 1.69 -0.01 0.00 -0.00 0.00 0.00 56.10 57.70 1a49 s TRP 3157Cb -0.19 -2.84 -0.00 0.00 -0.00 0.00 0.00 33.47 30.44 1a49 s TRP 3157CO -0.06 0.30 0.02 -1.17 -0.00 0.00 0.00 176.95 176.04 1a49 s LEU 3158N -1.86 1.95 -0.02 5.86 2.96 -1.22 -0.50 118.68 125.86 1a49 s LEU 3158Ca 0.46 -0.03 0.15 0.00 -0.22 0.00 0.00 54.13 54.49 1a49 s LEU 3158Cb -0.19 0.09 0.46 0.00 0.50 0.00 0.00 46.19 47.04 1a49 s LEU 3158CO 0.24 -0.05 1.37 -0.90 -1.32 0.00 0.00 176.35 175.69 1a49 n ASP 3159N 2.86 2.88 -4.42 3.68 5.68 -0.43 -4.73 116.55 122.08 1a49 n ASP 3159Ca -0.14 -2.07 -0.44 0.00 -0.50 0.00 0.00 54.79 51.64 1a49 n ASP 3159Cb 0.59 -0.37 -0.03 0.00 -1.14 0.00 0.00 41.12 40.17 1a49 n ASP 3159CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1a49 s TYR 3160N -1.43 3.13 0.46 2.11 5.04 -1.26 -4.91 117.35 120.49 1a49 s TYR 3160Ca 0.34 -1.29 0.17 0.00 -2.44 0.00 0.00 57.07 53.86 1a49 s TYR 3160Cb 0.19 -4.17 1.15 0.00 0.35 0.00 0.00 41.96 39.47 1a49 s TYR 3160CO 0.22 -1.41 1.98 0.87 -1.34 0.00 0.00 175.55 175.87 1a49 h LYS 3161N 8.85 0.27 0.00 4.97 1.79 -1.98 -1.46 116.57 129.01 1a49 h LYS 3161Ca 0.01 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1a49 h LYS 3161Cb 1.04 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1a49 h LYS 3161CO 1.07 0.18 -0.03 -1.71 -1.08 0.00 0.00 179.45 177.87 1a49 n ASN 3162N -4.45 0.75 -3.37 0.86 4.05 -1.26 -4.46 115.26 107.38 1a49 n ASN 3162Ca 0.10 0.55 -0.31 0.00 0.45 0.00 0.00 54.58 55.36 1a49 n ASN 3162Cb 0.45 -0.73 -0.03 0.00 1.23 0.00 0.00 39.78 40.70 1a49 n ASN 3162CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1a49 n ILE 3163N -2.20 2.22 -0.05 -1.44 3.06 -0.55 -0.26 119.36 120.13 1a49 n ILE 3163Ca 0.06 -1.56 0.00 0.00 -2.50 0.00 0.00 62.75 58.75 1a49 n ILE 3163Cb 0.42 -2.22 0.00 0.00 0.54 0.00 0.00 39.64 38.38 1a49 n ILE 3163CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1a49 n LYS 3165N 0.00 1.37 -0.00 0.00 2.85 0.64 -4.45 118.16 118.57 1a49 n LYS 3165Ca 0.00 -1.07 0.05 0.00 -1.05 0.00 0.00 58.31 56.24 1a49 n LYS 3165Cb 0.00 -0.97 -0.06 0.00 -0.65 0.00 0.00 35.03 33.34 1a49 n LYS 3165CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1a49 n VAL 3166N -0.29 0.00 -4.99 0.58 0.31 -1.24 -4.99 118.33 107.71 1a49 n VAL 3166Ca 0.00 -0.25 -0.30 0.00 -0.01 0.00 0.00 64.34 63.78 1a49 n VAL 3166Cb 0.17 0.91 -0.15 0.00 -0.91 0.00 0.00 33.84 33.85 1a49 n VAL 3166CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1a49 s VAL 3167N -2.08 2.07 0.50 2.52 0.11 -1.26 -4.69 120.40 117.58 1a49 s VAL 3167Ca 0.03 -1.29 0.05 0.00 -2.93 0.00 0.00 61.98 57.83 1a49 s VAL 3167Cb 0.08 -1.76 0.01 0.00 -1.53 0.00 0.00 36.38 33.17 1a49 s VAL 3167CO 0.43 0.41 0.26 -1.81 -3.33 0.00 0.00 175.10 171.06 1a49 s ASP 3168N -1.06 4.49 0.36 3.54 1.01 -1.26 -4.87 116.67 118.88 1a49 s ASP 3168Ca 0.11 -1.29 -0.28 0.00 0.71 0.00 0.00 52.55 51.81 1a49 s ASP 3168Cb -0.10 0.22 -0.10 0.00 1.01 0.00 0.00 42.92 43.95 1a49 s ASP 3168CO 0.01 -0.91 1.34 -0.69 0.21 0.00 0.00 175.17 175.13 1a49 s VAL 3169N -2.75 2.55 0.00 -1.27 1.01 -1.26 -1.22 120.40 117.45 1a49 s VAL 3169Ca 0.29 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1a49 s VAL 3169Cb -0.00 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1a49 s VAL 3169CO 0.17 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1a49 n GLY 3170N 0.69 1.61 3.77 4.51 0.00 0.33 -4.98 105.19 111.13 1a49 n GLY 3170Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1a49 n GLY 3170CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a49 s SER 3171N -2.59 4.76 -0.16 1.61 0.01 -0.36 -4.67 113.70 112.31 1a49 s SER 3171Ca 0.00 1.85 -0.04 0.00 1.31 0.00 0.00 55.95 59.07 1a49 s SER 3171Cb 0.00 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.68 1a49 s SER 3171CO 0.00 -1.86 -0.03 -0.54 0.41 0.00 0.00 173.24 171.21 1a49 s LYS 3172N -4.69 3.65 -0.13 12.44 -0.14 -1.25 -0.35 119.74 129.27 1a49 s LYS 3172Ca 0.62 -0.52 0.01 0.00 -1.36 0.00 0.00 55.97 54.72 1a49 s LYS 3172Cb -0.18 -2.93 -0.01 0.00 -1.68 0.00 0.00 37.83 33.03 1a49 s LYS 3172CO 0.52 0.20 -0.16 0.08 -0.76 0.00 0.00 175.35 175.23 1a49 s VAL 3173N 0.47 2.77 -0.04 3.17 1.01 0.36 -4.80 120.40 123.34 1a49 s VAL 3173Ca -0.03 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1a49 s VAL 3173Cb -0.14 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1a49 s VAL 3173CO 0.03 0.53 -0.03 -0.31 0.00 0.00 0.00 175.10 175.31 1a49 s TYR 3174N 0.47 3.02 -0.07 5.22 2.02 -0.82 -0.40 117.35 126.79 1a49 s TYR 3174Ca -0.11 0.07 0.04 0.00 -0.37 0.00 0.00 57.07 56.70 1a49 s TYR 3174Cb -0.16 -1.69 -0.00 0.00 -0.40 0.00 0.00 41.96 39.70 1a49 s TYR 3174CO 0.05 0.41 -0.21 0.08 -1.57 0.00 0.00 175.55 174.31 1a49 s VAL 3175N -0.95 1.78 -0.53 0.71 1.01 -0.25 -1.01 120.40 121.16 1a49 s VAL 3175Ca 0.16 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 1a49 s VAL 3175Cb -0.11 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 1a49 s VAL 3175CO 0.06 0.50 0.49 -0.67 0.00 0.00 0.00 175.10 175.47 1a49 n ASP 3176N 3.39 -5.68 -2.24 3.32 2.03 0.45 -1.59 116.55 116.22 1a49 n ASP 3176Ca -0.19 -0.13 -0.18 0.00 0.52 0.00 0.00 54.79 54.81 1a49 n ASP 3176Cb 0.53 -3.80 -0.02 0.00 -0.72 0.00 0.00 41.12 37.11 1a49 n ASP 3176CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1a49 n ASP 3177N -1.72 -5.10 0.00 1.67 9.92 -1.26 -1.43 116.55 118.64 1a49 n ASP 3177Ca -0.01 0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 1a49 n ASP 3177Cb 0.51 -4.32 0.00 0.00 -0.64 0.00 0.00 41.12 36.67 1a49 n ASP 3177CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a49 n GLY 3178N -0.82 0.66 0.18 0.44 0.00 -1.24 -4.72 105.19 99.69 1a49 n GLY 3178Ca -0.21 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 1a49 n GLY 3178CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a49 h LEU 3179N 0.00 0.20 -8.70 0.99 5.85 -1.01 -3.40 115.31 109.24 1a49 h LEU 3179Ca 0.00 0.04 -0.65 0.00 0.84 0.00 0.00 57.88 58.12 1a49 h LEU 3179Cb 0.00 0.02 -0.24 0.00 0.37 0.00 0.00 40.66 40.81 1a49 h LEU 3179CO 0.00 0.15 -0.70 -0.63 -0.34 0.00 0.00 178.44 176.92 1a49 s ILE 3180N -6.14 3.59 -0.18 4.05 -1.09 -0.62 -4.96 121.20 115.84 1a49 s ILE 3180Ca -0.13 -0.46 -0.07 0.00 -2.23 0.00 0.00 60.65 57.76 1a49 s ILE 3180Cb 0.13 -2.57 -0.04 0.00 -1.58 0.00 0.00 42.46 38.40 1a49 s ILE 3180CO 0.72 0.48 0.06 -0.55 -1.23 0.00 0.00 174.94 174.42 1a49 s SER 3181N 0.60 5.55 -0.11 3.58 0.15 -1.26 -1.09 113.70 121.11 1a49 s SER 3181Ca -0.04 0.05 0.02 0.00 0.70 0.00 0.00 55.95 56.68 1a49 s SER 3181Cb -0.15 -1.95 -0.01 0.00 -1.71 0.00 0.00 66.02 62.20 1a49 s SER 3181CO 0.03 0.16 -0.17 -0.76 1.20 0.00 0.00 173.24 173.70 1a49 s LEU 3182N 0.43 2.52 -0.24 3.45 1.43 0.47 -1.53 118.68 125.22 1a49 s LEU 3182Ca 0.03 -0.39 -0.09 0.00 -1.03 0.00 0.00 54.13 52.64 1a49 s LEU 3182Cb -0.13 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1a49 s LEU 3182CO 0.01 0.18 0.13 -1.58 0.23 0.00 0.00 176.35 175.32 1a49 s GLN 3183N 0.24 3.97 -0.29 1.70 0.74 -1.06 0.14 119.66 125.10 1a49 s GLN 3183Ca -0.11 -0.33 -0.29 0.00 0.05 0.00 0.00 55.36 54.68 1a49 s GLN 3183Cb -0.16 -3.45 -0.01 0.00 1.10 0.00 0.00 33.01 30.49 1a49 s GLN 3183CO 0.06 0.03 1.43 0.08 -0.55 0.00 0.00 175.29 176.34 1a49 s VAL 3184N 1.11 3.95 -0.17 1.34 1.01 0.53 -1.62 120.40 126.54 1a49 s VAL 3184Ca 0.06 1.06 0.06 0.00 0.00 0.00 0.00 61.98 63.16 1a49 s VAL 3184Cb -0.14 -4.00 -0.15 0.00 0.00 0.00 0.00 36.38 32.10 1a49 s VAL 3184CO 0.04 -0.44 -0.08 0.29 0.00 0.00 0.00 175.10 174.91 1a49 n LYS 3185N 7.54 0.90 -3.82 2.72 4.76 0.56 0.12 118.16 130.95 1a49 n LYS 3185Ca 0.16 0.06 -0.13 0.00 -2.87 0.00 0.00 58.31 55.54 1a49 n LYS 3185Cb 0.46 -1.38 -0.13 0.00 -1.84 0.00 0.00 35.03 32.14 1a49 n LYS 3185CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1a49 s GLN 3186N -2.37 0.14 0.04 1.97 0.74 0.04 -4.84 119.66 115.38 1a49 s GLN 3186Ca -0.19 0.20 0.03 0.00 0.05 0.00 0.00 55.36 55.45 1a49 s GLN 3186Cb 0.06 0.04 -0.04 0.00 1.10 0.00 0.00 33.01 34.17 1a49 s GLN 3186CO 0.50 -0.04 0.03 0.15 -0.55 0.00 0.00 175.29 175.39 1a49 s LYS 3187N 0.20 2.77 0.00 1.67 1.02 -1.26 0.29 119.74 124.43 1a49 s LYS 3187Ca -0.01 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.30 1a49 s LYS 3187Cb -0.02 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 1a49 s LYS 3187CO -0.01 0.59 0.00 0.41 -0.92 0.00 0.00 175.35 175.42 1a49 n GLY 3188N 0.92 4.23 0.07 -3.33 0.00 0.21 -4.91 105.19 102.38 1a49 n GLY 3188Ca -0.12 -2.01 -0.06 0.00 0.00 0.00 0.00 46.02 43.82 1a49 n GLY 3188CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a49 h PRO 3189N 0.00 0.00 0.00 1.61 0.11 -1.99 -3.35 132.00 128.38 1a49 h PRO 3189Ca 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.94 1a49 h PRO 3189Cb 0.00 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 30.75 1a49 h PRO 3189CO 0.00 0.97 -1.00 -0.40 -0.21 0.00 0.00 178.00 177.36 1a49 n ASP 3190N -3.39 0.98 -3.63 -2.05 5.75 -1.26 -5.03 116.55 107.92 1a49 n ASP 3190Ca -0.00 -2.06 -0.03 0.00 -0.01 0.00 0.00 54.79 52.69 1a49 n ASP 3190Cb 0.91 -0.30 -0.00 0.00 -1.03 0.00 0.00 41.12 40.70 1a49 n ASP 3190CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1a49 s PHE 3191N -0.11 -0.06 -0.02 2.11 -0.12 -1.26 -0.53 117.98 118.00 1a49 s PHE 3191Ca 0.33 -0.24 -0.01 0.00 -0.05 0.00 0.00 56.93 56.95 1a49 s PHE 3191Cb 0.37 0.64 0.02 0.00 -0.63 0.00 0.00 43.02 43.43 1a49 s PHE 3191CO -0.16 -0.78 0.05 -0.51 -0.05 0.00 0.00 175.22 173.77 1a49 s LEU 3192N -3.08 1.30 -0.15 -1.99 2.01 0.25 0.64 118.68 117.66 1a49 s LEU 3192Ca 0.15 0.08 -0.18 0.00 0.01 0.00 0.00 54.13 54.20 1a49 s LEU 3192Cb -0.01 0.05 -0.04 0.00 0.01 0.00 0.00 46.19 46.20 1a49 s LEU 3192CO 0.02 -0.09 0.49 -0.69 1.01 0.00 0.00 176.35 177.09 1a49 s VAL 3193N 0.73 5.16 0.10 -1.59 1.01 0.82 -1.08 120.40 125.55 1a49 s VAL 3193Ca -0.06 0.94 0.05 0.00 0.00 0.00 0.00 61.98 62.91 1a49 s VAL 3193Cb -0.08 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1a49 s VAL 3193CO -0.02 0.28 -0.12 0.42 0.00 0.00 0.00 175.10 175.65 1a49 s THR 3194N 0.96 1.11 -0.15 3.92 -4.23 0.70 -0.32 115.64 117.63 1a49 s THR 3194Ca 0.25 -1.61 -0.01 0.00 -1.18 0.00 0.00 61.69 59.15 1a49 s THR 3194Cb -0.15 -1.36 -0.01 0.00 1.34 0.00 0.00 72.50 72.31 1a49 s THR 3194CO 0.10 -0.45 -0.12 -0.70 -0.54 0.00 0.00 174.62 172.91 1a49 s GLU 3195N -2.55 3.35 -0.09 3.99 2.12 -0.64 0.17 118.70 125.05 1a49 s GLU 3195Ca 0.05 -0.68 -0.29 0.00 0.36 0.00 0.00 54.97 54.41 1a49 s GLU 3195Cb -0.05 -2.70 -0.07 0.00 0.26 0.00 0.00 34.13 31.57 1a49 s GLU 3195CO 0.02 0.10 2.00 0.08 -0.54 0.00 0.00 175.26 176.91 1a49 s VAL 3196N 0.65 3.13 -0.16 3.70 1.01 0.23 -2.55 120.40 126.41 1a49 s VAL 3196Ca -0.06 0.15 0.15 0.00 0.00 0.00 0.00 61.98 62.21 1a49 s VAL 3196Cb -0.15 -3.12 0.06 0.00 0.00 0.00 0.00 36.38 33.16 1a49 s VAL 3196CO 0.02 -0.05 1.43 -0.33 0.00 0.00 0.00 175.10 176.17 1a49 h GLU 3197N 12.19 0.00 -2.08 2.72 5.08 -1.60 0.47 114.58 131.36 1a49 h GLU 3197Ca -0.44 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.88 1a49 h GLU 3197Cb 1.22 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.26 1a49 h GLU 3197CO 0.96 0.50 0.07 0.54 -1.00 0.00 0.00 179.01 180.08 1a49 s ASN 3198N -6.44 -0.75 0.85 1.42 2.20 -1.26 -4.72 114.94 106.24 1a49 s ASN 3198Ca 0.04 1.39 -0.12 0.00 -0.94 0.00 0.00 52.86 53.23 1a49 s ASN 3198Cb 0.08 1.39 0.10 0.00 -2.00 0.00 0.00 41.25 40.81 1a49 s ASN 3198CO 0.75 -0.24 1.13 -0.83 -2.94 0.00 0.00 177.10 174.97 1a49 s GLY 3199N 0.60 1.59 0.00 0.45 0.00 -1.26 -4.60 107.32 104.10 1a49 s GLY 3199Ca -0.02 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.24 1a49 s GLY 3199CO -0.03 0.04 0.00 0.61 0.00 0.00 0.00 173.10 173.72 1a49 n GLY 3200N -2.46 1.69 3.62 0.20 0.00 -0.93 -4.94 105.19 102.37 1a49 n GLY 3200Ca 0.07 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 1a49 n GLY 3200CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a49 s PHE 3201N -2.00 2.85 -0.18 1.61 0.08 -1.26 0.32 117.98 119.40 1a49 s PHE 3201Ca 0.00 0.87 -0.18 0.00 0.12 0.00 0.00 56.93 57.74 1a49 s PHE 3201Cb 0.00 -4.13 -0.03 0.00 -0.57 0.00 0.00 43.02 38.29 1a49 s PHE 3201CO 0.00 -1.27 0.50 -1.17 -0.10 0.00 0.00 175.22 173.18 1a49 s LEU 3202N 4.32 4.18 0.00 -0.37 2.96 0.25 -4.86 118.68 125.17 1a49 s LEU 3202Ca 0.50 0.70 0.00 0.00 -0.22 0.00 0.00 54.13 55.11 1a49 s LEU 3202Cb -0.11 -2.70 0.00 0.00 0.50 0.00 0.00 46.19 43.89 1a49 s LEU 3202CO 0.26 -0.13 0.00 0.61 -1.32 0.00 0.00 176.35 175.77 1a49 n GLY 3203N 3.74 4.03 3.87 7.98 0.00 -1.26 -0.60 105.19 122.95 1a49 n GLY 3203Ca -0.05 -2.10 -0.34 0.00 0.00 0.00 0.00 46.02 43.53 1a49 n GLY 3203CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a49 s SER 3204N -0.48 6.66 -1.30 1.61 0.01 -1.22 -4.42 113.70 114.56 1a49 s SER 3204Ca 0.00 0.86 -0.05 0.00 1.31 0.00 0.00 55.95 58.06 1a49 s SER 3204Cb 0.00 -2.20 -0.00 0.00 0.21 0.00 0.00 66.02 64.03 1a49 s SER 3204CO 0.00 0.08 0.61 0.29 0.41 0.00 0.00 173.24 174.63 1a49 n LYS 3205N 0.52 -3.23 -3.25 12.44 5.02 0.68 -4.94 118.16 125.41 1a49 n LYS 3205Ca -0.05 0.49 -0.32 0.00 -2.02 0.00 0.00 58.31 56.41 1a49 n LYS 3205Cb 0.52 -4.64 -0.06 0.00 -0.02 0.00 0.00 35.03 30.83 1a49 n LYS 3205CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1a49 s LYS 3206N -6.19 3.93 0.29 1.97 -0.14 -1.26 -4.63 119.74 113.71 1a49 s LYS 3206Ca 0.13 0.52 -0.29 0.00 -1.36 0.00 0.00 55.97 54.97 1a49 s LYS 3206Cb -0.04 -2.52 -0.10 0.00 -1.68 0.00 0.00 37.83 33.49 1a49 s LYS 3206CO 0.86 0.22 1.32 0.20 -0.76 0.00 0.00 175.35 177.19 1a49 s GLY 3207N -2.30 2.80 -0.19 -3.33 0.00 -1.26 0.04 107.32 103.09 1a49 s GLY 3207Ca 0.51 1.24 -0.01 0.00 0.00 0.00 0.00 44.72 46.46 1a49 s GLY 3207CO 0.19 1.99 -0.14 0.14 0.00 0.00 0.00 173.10 175.27 1a49 s VAL 3208N -0.75 2.62 -0.19 1.40 1.01 -0.50 0.17 120.40 124.15 1a49 s VAL 3208Ca 0.52 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1a49 s VAL 3208Cb -0.39 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 33.85 1a49 s VAL 3208CO 0.49 0.50 -0.10 0.20 0.00 0.00 0.00 175.10 176.19 1a49 s ASN 3209N 1.23 3.97 -0.62 3.32 0.01 -0.18 -4.41 114.94 118.26 1a49 s ASN 3209Ca 0.03 -0.44 0.04 0.00 -0.71 0.00 0.00 52.86 51.78 1a49 s ASN 3209Cb -0.14 -1.65 0.35 0.00 0.41 0.00 0.00 41.25 40.22 1a49 s ASN 3209CO -0.07 0.02 1.14 0.18 -1.51 0.00 0.00 177.10 176.86 1a49 n LEU 3210N 4.50 5.03 -3.59 0.60 4.77 -1.26 -1.95 117.00 125.10 1a49 n LEU 3210Ca -0.19 -5.53 -0.51 0.00 -0.03 0.00 0.00 56.01 49.75 1a49 n LEU 3210Cb 0.51 -0.64 -0.09 0.00 -2.33 0.00 0.00 43.42 40.87 1a49 n LEU 3210CO 0.29 2.27 1.16 -0.81 -1.33 0.00 0.00 177.39 178.97 1a49 n PRO 3211N -0.28 0.00 0.00 3.23 -0.04 -1.26 -0.85 135.00 135.80 1a49 n PRO 3211Ca 0.35 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1a49 n PRO 3211Cb 0.42 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 1a49 n PRO 3211CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a49 n GLY 3212N 4.65 2.93 3.76 0.55 0.00 -1.26 -5.06 105.19 110.76 1a49 n GLY 3212Ca 0.35 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1a49 n GLY 3212CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 s ALA 3213N -2.45 2.27 -1.14 4.61 0.00 -0.03 -4.97 121.76 120.05 1a49 s ALA 3213Ca 0.00 0.49 -0.10 0.00 0.00 0.00 0.00 51.96 52.36 1a49 s ALA 3213Cb 0.00 -3.33 0.26 0.00 0.00 0.00 0.00 23.12 20.04 1a49 s ALA 3213CO 0.00 -1.64 1.23 0.00 0.00 0.00 0.00 175.76 175.35 1a49 n ALA 3214N -2.98 4.24 -2.68 0.00 0.00 -1.26 -4.98 120.51 112.84 1a49 n ALA 3214Ca 0.10 -4.58 -0.42 0.00 0.00 0.00 0.00 53.44 48.55 1a49 n ALA 3214Cb 0.52 -2.59 -0.03 0.00 0.00 0.00 0.00 19.45 17.35 1a49 n ALA 3214CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1a49 s VAL 3215N -0.73 4.85 -0.35 0.00 1.01 -1.26 -4.96 120.40 118.96 1a49 s VAL 3215Ca 0.34 2.03 -0.03 0.00 0.00 0.00 0.00 61.98 64.32 1a49 s VAL 3215Cb -0.07 -4.31 0.07 0.00 0.00 0.00 0.00 36.38 32.07 1a49 s VAL 3215CO -0.05 0.18 0.09 -0.62 0.00 0.00 0.00 175.10 174.70 1a49 s ASP 3216N 0.93 5.10 0.02 3.32 2.15 -1.26 -5.06 116.67 121.87 1a49 s ASP 3216Ca 0.51 -1.55 0.01 0.00 0.43 0.00 0.00 52.55 51.95 1a49 s ASP 3216Cb -0.21 -1.78 -0.02 0.00 -0.30 0.00 0.00 42.92 40.61 1a49 s ASP 3216CO 0.28 -0.38 -0.04 -0.76 -0.17 0.00 0.00 175.17 174.09 1a49 s LEU 3217N 1.23 2.22 0.48 -1.34 1.43 -1.26 -5.11 118.68 116.33 1a49 s LEU 3217Ca 0.01 -0.47 -0.22 0.00 -1.03 0.00 0.00 54.13 52.42 1a49 s LEU 3217Cb -0.21 -0.00 -0.07 0.00 0.03 0.00 0.00 46.19 45.94 1a49 s LEU 3217CO -0.02 -0.24 1.15 -2.16 0.23 0.00 0.00 176.35 175.31 1a49 s PRO 3218N -1.36 3.67 0.15 1.29 0.04 -1.26 -4.93 135.00 132.60 1a49 s PRO 3218Ca -0.13 1.70 -0.16 0.00 0.04 0.00 0.00 61.00 62.45 1a49 s PRO 3218Cb -0.09 -2.29 0.05 0.00 0.04 0.00 0.00 34.50 32.20 1a49 s PRO 3218CO -0.00 -0.61 1.77 0.00 0.04 0.00 0.00 177.00 178.20 1a49 h ALA 3219N 1.83 0.43 -3.62 8.56 0.00 -1.98 -3.37 119.26 121.12 1a49 h ALA 3219Ca -0.49 0.02 -0.62 0.00 0.00 0.00 0.00 54.91 53.82 1a49 h ALA 3219Cb 1.25 -0.03 -0.38 0.00 0.00 0.00 0.00 17.79 18.62 1a49 h ALA 3219CO 0.59 -0.22 -0.77 0.08 0.00 0.00 0.00 179.25 178.93 1a49 s VAL 3220N -6.16 1.63 0.77 0.00 1.01 -1.26 -4.40 120.40 111.99 1a49 s VAL 3220Ca -0.13 -1.44 -0.04 0.00 0.00 0.00 0.00 61.98 60.37 1a49 s VAL 3220Cb 0.11 -1.96 0.14 0.00 0.00 0.00 0.00 36.38 34.67 1a49 s VAL 3220CO 0.71 -0.23 1.06 -0.94 0.00 0.00 0.00 175.10 175.70 1a49 s SER 3221N 1.32 4.12 0.11 3.32 1.04 -1.26 -4.87 113.70 117.48 1a49 s SER 3221Ca -0.02 -0.21 -0.21 0.00 0.48 0.00 0.00 55.95 55.98 1a49 s SER 3221Cb -0.19 -0.11 -0.10 0.00 0.10 0.00 0.00 66.02 65.72 1a49 s SER 3221CO -0.08 -2.02 1.74 1.05 0.98 0.00 0.00 173.24 174.91 1a49 h GLU 3222N -0.74 0.08 -0.52 4.02 4.11 -1.99 0.49 114.58 120.02 1a49 h GLU 3222Ca -0.38 -0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.11 1a49 h GLU 3222Cb 1.26 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 1a49 h GLU 3222CO 0.40 0.05 0.20 0.87 0.07 0.00 0.00 179.01 180.61 1a49 h LYS 3223N 0.08 0.38 -0.39 1.06 1.57 -2.00 -0.37 116.57 116.91 1a49 h LYS 3223Ca 0.04 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 1a49 h LYS 3223Cb 0.02 -0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.16 1a49 h LYS 3223CO -0.04 0.25 -0.21 -0.44 -0.57 0.00 0.00 179.45 178.44 1a49 h ASP 3224N 0.39 -0.71 -0.96 0.86 3.32 -1.78 -0.58 116.42 116.97 1a49 h ASP 3224Ca 0.25 0.16 0.13 0.00 0.02 0.00 0.00 57.03 57.58 1a49 h ASP 3224Cb 0.26 0.37 -0.09 0.00 0.22 0.00 0.00 39.33 40.09 1a49 h ASP 3224CO -0.24 -0.24 0.59 0.40 -1.72 0.00 0.00 179.24 178.03 1a49 h ILE 3225N -0.14 0.88 -0.24 0.35 1.08 0.16 -1.23 117.51 118.36 1a49 h ILE 3225Ca 0.19 -0.31 -0.03 0.00 -0.39 0.00 0.00 64.86 64.32 1a49 h ILE 3225Cb 0.44 -0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.07 1a49 h ILE 3225CO -0.47 0.17 0.05 1.56 -0.69 0.00 0.00 178.15 178.76 1a49 h GLN 3226N 0.91 0.40 -0.58 2.37 1.08 -0.42 -1.36 115.11 117.51 1a49 h GLN 3226Ca 0.49 -0.10 -0.08 0.00 -1.45 0.00 0.00 58.65 57.51 1a49 h GLN 3226Cb 0.52 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 1a49 h GLN 3226CO -0.28 0.52 0.06 -0.44 -0.95 0.00 0.00 178.83 177.74 1a49 h ASP 3227N 0.21 0.92 -0.45 1.46 3.32 -0.87 -1.06 116.42 119.95 1a49 h ASP 3227Ca 0.08 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 1a49 h ASP 3227Cb 0.31 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1a49 h ASP 3227CO 0.00 0.95 0.12 -0.07 -1.72 0.00 0.00 179.24 178.52 1a49 h LEU 3228N 0.90 0.67 -0.92 1.55 3.38 -1.11 0.23 115.31 120.01 1a49 h LEU 3228Ca 0.18 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1a49 h LEU 3228Cb 0.44 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1a49 h LEU 3228CO 0.02 0.72 0.23 0.11 0.09 0.00 0.00 178.44 179.60 1a49 h LYS 3229N 0.59 1.02 -0.64 1.13 1.57 -1.07 -0.53 116.57 118.63 1a49 h LYS 3229Ca 0.14 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1a49 h LYS 3229Cb 0.30 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1a49 h LYS 3229CO -0.00 0.86 0.37 0.35 -0.57 0.00 0.00 179.45 180.46 1a49 h PHE 3230N 0.99 0.86 -0.75 -1.35 3.04 -0.77 0.63 116.94 119.59 1a49 h PHE 3230Ca 0.22 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.20 1a49 h PHE 3230Cb 0.25 -0.28 -0.05 0.00 2.56 0.00 0.00 35.95 38.43 1a49 h PHE 3230CO 0.02 0.60 0.47 0.78 -2.02 0.00 0.00 178.31 178.16 1a49 h GLY 3231N 0.87 1.09 1.02 2.40 0.00 0.23 0.29 103.07 108.97 1a49 h GLY 3231Ca 0.23 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 1a49 h GLY 3231CO -0.04 0.30 0.24 -2.08 0.00 0.00 0.00 176.54 174.95 1a49 h VAL 3232N 0.92 1.24 -0.23 4.60 2.07 -0.21 -1.65 116.25 122.98 1a49 h VAL 3232Ca 0.30 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1a49 h VAL 3232Cb 0.03 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1a49 h VAL 3232CO -0.12 0.31 0.03 -0.33 0.02 0.00 0.00 177.57 177.48 1a49 h GLU 3233N 0.94 0.34 -0.25 1.57 5.08 0.15 -2.52 114.58 119.89 1a49 h GLU 3233Ca 0.22 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1a49 h GLU 3233Cb 0.24 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1a49 h GLU 3233CO -0.01 0.34 0.00 1.04 -1.00 0.00 0.00 179.01 179.38 1a49 n GLN 3234N -4.38 1.92 -2.57 2.33 1.13 0.90 -4.96 117.38 111.76 1a49 n GLN 3234Ca 0.00 -1.39 -0.21 0.00 -1.94 0.00 0.00 57.00 53.46 1a49 n GLN 3234Cb 0.17 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.12 1a49 n GLN 3234CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1a49 n ASP 3235N 0.61 -5.94 -4.53 1.08 2.03 -0.68 -4.96 116.55 104.16 1a49 n ASP 3235Ca 0.16 -0.10 -0.31 0.00 0.52 0.00 0.00 54.79 55.07 1a49 n ASP 3235Cb 0.39 -4.90 0.19 0.00 -0.72 0.00 0.00 41.12 36.08 1a49 n ASP 3235CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1a49 n VAL 3236N -4.16 0.00 0.03 5.18 0.24 -1.02 -4.92 118.33 113.67 1a49 n VAL 3236Ca -0.21 -0.21 0.05 0.00 -2.04 0.00 0.00 64.34 61.93 1a49 n VAL 3236Cb 0.67 -0.91 -0.09 0.00 -1.47 0.00 0.00 33.84 32.04 1a49 n VAL 3236CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1a49 n ASP 3237N -3.83 0.55 -3.78 -1.34 8.00 0.16 -4.89 116.55 111.43 1a49 n ASP 3237Ca 0.07 0.23 -0.05 0.00 0.71 0.00 0.00 54.79 55.75 1a49 n ASP 3237Cb 0.54 0.78 -0.02 0.00 -0.02 0.00 0.00 41.12 42.40 1a49 n ASP 3237CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a49 s MET 3238N -3.14 1.39 -0.03 -1.24 0.23 -1.13 -2.01 119.30 113.36 1a49 s MET 3238Ca -0.04 -0.76 0.02 0.00 -1.03 0.00 0.00 55.69 53.88 1a49 s MET 3238Cb 0.10 0.48 0.01 0.00 -1.53 0.00 0.00 34.83 33.89 1a49 s MET 3238CO 0.83 -0.64 -0.10 0.08 -2.03 0.00 0.00 175.02 173.17 1a49 s VAL 3239N -3.51 0.85 -0.42 5.16 1.01 0.38 -2.25 120.40 121.62 1a49 s VAL 3239Ca 0.11 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 1a49 s VAL 3239Cb -0.03 -0.76 0.06 0.00 0.00 0.00 0.00 36.38 35.65 1a49 s VAL 3239CO 0.03 0.27 0.28 -0.36 0.00 0.00 0.00 175.10 175.32 1a49 s PHE 3240N 0.29 3.29 -0.55 5.22 0.08 0.77 -1.38 117.98 125.70 1a49 s PHE 3240Ca -0.05 -1.22 -0.24 0.00 0.12 0.00 0.00 56.93 55.54 1a49 s PHE 3240Cb -0.10 -2.86 0.04 0.00 -0.57 0.00 0.00 43.02 39.53 1a49 s PHE 3240CO 0.01 -0.78 0.94 0.00 -0.10 0.00 0.00 175.22 175.29 1a49 s ALA 3241N 1.51 3.16 0.39 5.36 0.00 -0.28 -1.35 121.76 130.55 1a49 s ALA 3241Ca 0.03 -1.26 -0.27 0.00 0.00 0.00 0.00 51.96 50.46 1a49 s ALA 3241Cb -0.22 -3.74 -0.09 0.00 0.00 0.00 0.00 23.12 19.07 1a49 s ALA 3241CO 0.05 -2.40 1.33 -1.12 0.00 0.00 0.00 175.76 173.62 1a49 s SER 3242N 2.87 6.39 -1.46 0.00 0.01 -1.26 -1.23 113.70 119.02 1a49 s SER 3242Ca 0.30 2.73 -0.10 0.00 1.31 0.00 0.00 55.95 60.19 1a49 s SER 3242Cb -0.13 -2.65 0.06 0.00 0.21 0.00 0.00 66.02 63.52 1a49 s SER 3242CO 0.19 -0.80 0.79 0.49 0.41 0.00 0.00 173.24 174.32 1a49 n PHE 3243N 0.30 -2.15 -1.70 2.43 3.72 -1.19 -4.55 117.46 114.32 1a49 n PHE 3243Ca 0.03 0.72 -0.42 0.00 -0.05 0.00 0.00 57.45 57.72 1a49 n PHE 3243Cb 0.42 -3.90 -0.03 0.00 -0.94 0.00 0.00 39.48 35.03 1a49 n PHE 3243CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1a49 n ILE 3244N -4.48 0.21 -0.05 4.37 2.08 -0.96 -4.87 119.36 115.66 1a49 n ILE 3244Ca -0.01 -0.04 -0.05 0.00 0.56 0.00 0.00 62.75 63.22 1a49 n ILE 3244Cb 0.55 -2.08 -0.07 0.00 -0.75 0.00 0.00 39.64 37.29 1a49 n ILE 3244CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1a49 n ARG 3245N 4.93 2.44 -3.93 0.38 1.74 -1.26 -4.42 116.66 116.54 1a49 n ARG 3245Ca 0.17 -0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.16 1a49 n ARG 3245Cb 0.36 -1.23 -0.09 0.00 -1.02 0.00 0.00 32.46 30.48 1a49 n ARG 3245CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1a49 s LYS 3246N -2.22 0.64 0.31 5.56 3.01 -1.26 -4.28 119.74 121.49 1a49 s LYS 3246Ca -0.05 -0.83 0.07 0.00 -1.01 0.00 0.00 55.97 54.15 1a49 s LYS 3246Cb 0.03 0.25 0.76 0.00 -1.01 0.00 0.00 37.83 37.85 1a49 s LYS 3246CO 0.37 -0.16 1.79 0.00 0.51 0.00 0.00 175.35 177.85 1a49 h ALA 3247N 3.45 1.71 -0.30 5.17 0.00 -1.88 0.47 119.26 127.87 1a49 h ALA 3247Ca -0.33 0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.74 1a49 h ALA 3247Cb 1.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1a49 h ALA 3247CO 0.53 -0.07 0.23 0.00 0.00 0.00 0.00 179.25 179.94 1a49 h ALA 3248N 1.64 2.23 -0.45 0.00 0.00 -1.95 0.37 119.26 121.09 1a49 h ALA 3248Ca 0.57 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.46 1a49 h ALA 3248Cb 0.90 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1a49 h ALA 3248CO -0.36 -0.38 0.23 -0.44 0.00 0.00 0.00 179.25 178.30 1a49 h ASP 3249N 0.00 0.57 -0.25 0.00 3.32 -0.46 -0.47 116.42 119.13 1a49 h ASP 3249Ca 0.14 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1a49 h ASP 3249Cb 0.60 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1a49 h ASP 3249CO -0.00 0.52 0.09 0.58 -1.72 0.00 0.00 179.24 178.70 1a49 h VAL 3250N 0.59 1.18 -0.96 -1.35 2.07 -0.90 -1.20 116.25 115.68 1a49 h VAL 3250Ca 0.16 -0.57 0.10 0.00 0.82 0.00 0.00 66.70 67.21 1a49 h VAL 3250Cb 0.08 1.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.86 1a49 h VAL 3250CO -0.02 0.19 0.60 0.45 0.02 0.00 0.00 177.57 178.80 1a49 h HIS 3251N 0.24 1.09 -0.80 1.57 3.86 -0.87 0.38 115.15 120.62 1a49 h HIS 3251Ca 0.08 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1a49 h HIS 3251Cb 0.21 -0.35 -0.04 0.00 1.06 0.00 0.00 27.41 28.29 1a49 h HIS 3251CO -0.00 0.47 0.52 1.49 0.86 0.00 0.00 177.93 181.26 1a49 h GLU 3252N 0.99 1.07 -0.27 2.45 4.81 -0.56 -0.42 114.58 122.65 1a49 h GLU 3252Ca 0.46 -0.08 -0.19 0.00 -0.13 0.00 0.00 59.36 59.43 1a49 h GLU 3252Cb 0.39 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1a49 h GLU 3252CO -0.24 0.73 -0.57 0.28 -0.73 0.00 0.00 179.01 178.48 1a49 h VAL 3253N 1.09 1.28 -0.44 0.32 2.07 0.61 -2.80 116.25 118.38 1a49 h VAL 3253Ca 0.29 -1.75 0.05 0.00 0.82 0.00 0.00 66.70 66.11 1a49 h VAL 3253Cb -0.10 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 1a49 h VAL 3253CO -0.06 0.57 0.17 -0.09 0.02 0.00 0.00 177.57 178.18 1a49 h ARG 3254N 0.63 0.35 -0.58 1.57 2.43 0.42 -0.84 114.38 118.35 1a49 h ARG 3254Ca 0.01 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.22 1a49 h ARG 3254Cb 1.18 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.59 1a49 h ARG 3254CO 0.13 0.23 0.28 -0.22 -1.51 0.00 0.00 179.97 178.87 1a49 h LYS 3255N 0.36 0.50 -0.36 0.20 3.64 -1.02 0.21 116.57 120.10 1a49 h LYS 3255Ca 0.20 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.62 1a49 h LYS 3255Cb 0.17 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.82 1a49 h LYS 3255CO -0.19 0.33 -0.01 0.82 -2.27 0.00 0.00 179.45 178.13 1a49 h ILE 3256N 0.51 0.72 -0.48 2.00 1.08 -1.23 -2.20 117.51 117.91 1a49 h ILE 3256Ca 0.27 -0.03 -0.10 0.00 -0.39 0.00 0.00 64.86 64.61 1a49 h ILE 3256Cb 0.24 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 34.60 1a49 h ILE 3256CO -0.22 0.02 -0.10 -0.07 -0.69 0.00 0.00 178.15 177.09 1a49 h LEU 3257N 0.08 0.86 0.00 1.44 -0.00 -0.25 -3.47 115.31 113.98 1a49 h LEU 3257Ca 0.17 -0.27 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1a49 h LEU 3257Cb 0.25 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 1a49 h LEU 3257CO -0.30 0.98 0.00 0.61 -0.00 0.00 0.00 178.44 179.73 1a49 n GLY 3258N -0.39 0.06 0.27 0.83 0.00 0.65 -0.18 105.19 106.42 1a49 n GLY 3258Ca 0.02 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.33 1a49 n GLY 3258CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1a49 h GLU 3259N 0.00 0.28 0.00 1.61 4.22 -1.88 0.18 114.58 118.99 1a49 h GLU 3259Ca 0.00 -0.02 -0.13 0.00 0.08 0.00 0.00 59.36 59.29 1a49 h GLU 3259Cb 0.00 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1a49 h GLU 3259CO 0.00 0.18 -0.63 -0.22 -2.18 0.00 0.00 179.01 176.16 1a49 h LYS 3260N 0.28 0.00 -0.75 1.92 3.64 -1.98 -3.14 116.57 116.55 1a49 h LYS 3260Ca 0.41 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.48 1a49 h LYS 3260Cb 0.69 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.33 1a49 h LYS 3260CO -0.50 0.63 0.34 0.41 -2.27 0.00 0.00 179.45 178.07 1a49 n GLY 3261N 0.44 4.18 0.11 5.01 0.00 0.74 -4.66 105.19 111.00 1a49 n GLY 3261Ca -0.01 -1.07 -0.04 0.00 0.00 0.00 0.00 46.02 44.90 1a49 n GLY 3261CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1a49 h LYS 3262N 1.77 0.01 -0.01 1.61 2.10 -0.71 -3.16 116.57 118.19 1a49 h LYS 3262Ca 0.38 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 1a49 h LYS 3262Cb 2.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.71 1a49 h LYS 3262CO 0.79 0.78 -0.08 0.09 -2.00 0.00 0.00 179.45 179.02 1a49 n ASN 3263N -3.63 0.66 -4.69 7.07 5.03 -1.26 -4.88 115.26 113.56 1a49 n ASN 3263Ca -0.01 -0.86 -0.42 0.00 0.87 0.00 0.00 54.58 54.16 1a49 n ASN 3263Cb 0.74 -0.03 -0.03 0.00 -1.02 0.00 0.00 39.78 39.45 1a49 n ASN 3263CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a49 s ILE 3264N -2.31 4.64 0.15 2.41 1.01 -1.19 -4.99 121.20 120.93 1a49 s ILE 3264Ca 0.33 1.92 -0.30 0.00 0.00 0.00 0.00 60.65 62.60 1a49 s ILE 3264Cb 0.20 -4.23 -0.07 0.00 0.01 0.00 0.00 42.46 38.37 1a49 s ILE 3264CO 0.43 0.01 0.96 -0.54 0.00 0.00 0.00 174.94 175.80 1a49 s LYS 3265N 2.02 4.75 -0.35 2.79 -0.14 -0.85 -4.88 119.74 123.07 1a49 s LYS 3265Ca 0.51 1.47 -0.06 0.00 -1.36 0.00 0.00 55.97 56.53 1a49 s LYS 3265Cb -0.20 -3.34 0.05 0.00 -1.68 0.00 0.00 37.83 32.66 1a49 s LYS 3265CO 0.19 0.31 0.13 0.42 -0.76 0.00 0.00 175.35 175.64 1a49 s ILE 3266N -0.39 3.80 -0.42 2.17 1.01 -1.26 -0.47 121.20 125.64 1a49 s ILE 3266Ca 0.45 -1.24 -0.15 0.00 0.00 0.00 0.00 60.65 59.71 1a49 s ILE 3266Cb -0.24 -3.21 0.03 0.00 0.01 0.00 0.00 42.46 39.05 1a49 s ILE 3266CO 0.31 -0.26 0.31 -0.63 0.00 0.00 0.00 174.94 174.67 1a49 s ILE 3267N 1.38 5.23 -0.01 2.92 1.09 -0.48 -0.46 121.20 130.88 1a49 s ILE 3267Ca -0.00 -0.72 -0.30 0.00 -1.10 0.00 0.00 60.65 58.53 1a49 s ILE 3267Cb -0.20 -3.94 -0.03 0.00 -1.06 0.00 0.00 42.46 37.22 1a49 s ILE 3267CO 0.02 -0.34 1.07 -0.44 -0.10 0.00 0.00 174.94 175.14 1a49 s SER 3268N 1.79 7.24 -0.27 3.58 0.01 -0.27 -1.12 113.70 124.66 1a49 s SER 3268Ca 0.05 1.75 -0.13 0.00 1.31 0.00 0.00 55.95 58.93 1a49 s SER 3268Cb -0.20 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.42 1a49 s SER 3268CO 0.09 -0.38 0.28 -0.54 0.41 0.00 0.00 173.24 173.10 1a49 s LYS 3269N 1.30 4.00 -0.37 12.44 1.02 -0.36 -1.61 119.74 136.15 1a49 s LYS 3269Ca 0.54 -0.14 -0.20 0.00 0.02 0.00 0.00 55.97 56.19 1a49 s LYS 3269Cb -0.23 -3.64 0.00 0.00 -0.52 0.00 0.00 37.83 33.44 1a49 s LYS 3269CO 0.26 -0.20 0.59 0.42 -0.92 0.00 0.00 175.35 175.51 1a49 s ILE 3270N 1.82 4.92 -0.01 2.17 -1.09 -0.97 -2.25 121.20 125.79 1a49 s ILE 3270Ca 0.11 0.40 0.01 0.00 -2.23 0.00 0.00 60.65 58.94 1a49 s ILE 3270Cb -0.16 -4.06 0.01 0.00 -1.58 0.00 0.00 42.46 36.68 1a49 s ILE 3270CO 0.10 -0.34 0.74 -0.62 -1.23 0.00 0.00 174.94 173.60 1a49 n GLU 3271N 5.98 0.31 -3.87 2.79 1.02 -1.26 -2.12 120.64 123.48 1a49 n GLU 3271Ca -0.03 -0.86 -0.08 0.00 -0.02 0.00 0.00 57.16 56.18 1a49 n GLU 3271Cb 0.48 -0.59 -0.01 0.00 -0.02 0.00 0.00 31.44 31.30 1a49 n GLU 3271CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1a49 s ASN 3272N -0.57 -0.11 0.06 1.62 2.20 -1.26 -3.58 114.94 113.30 1a49 s ASN 3272Ca 0.02 -0.84 -0.18 0.00 -0.94 0.00 0.00 52.86 50.91 1a49 s ASN 3272Cb 0.01 0.74 -0.07 0.00 -2.00 0.00 0.00 41.25 39.93 1a49 s ASN 3272CO 0.00 -1.42 1.29 0.45 -2.94 0.00 0.00 177.10 174.49 1a49 h HIS 3273N 2.04 -0.82 -0.93 1.54 3.86 -1.93 -1.95 115.15 116.95 1a49 h HIS 3273Ca -0.24 0.02 0.27 0.00 -1.16 0.00 0.00 60.37 59.27 1a49 h HIS 3273Cb 1.25 0.35 -0.16 0.00 1.06 0.00 0.00 27.41 29.91 1a49 h HIS 3273CO 0.74 -0.31 0.22 1.49 0.86 0.00 0.00 177.93 180.93 1a49 h GLU 3274N -0.37 0.12 -0.56 2.45 4.81 -1.96 0.52 114.58 119.57 1a49 h GLU 3274Ca 0.00 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1a49 h GLU 3274Cb 0.39 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1a49 h GLU 3274CO -0.17 0.08 0.07 0.78 -0.73 0.00 0.00 179.01 179.04 1a49 h GLY 3275N 0.12 0.99 1.03 1.92 0.00 -1.63 0.92 103.07 106.41 1a49 h GLY 3275Ca 0.61 -0.64 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 1a49 h GLY 3275CO -0.75 0.59 0.02 -2.08 0.00 0.00 0.00 176.54 174.32 1a49 h VAL 3276N 0.86 1.26 0.00 4.60 2.07 0.66 -1.48 116.25 124.23 1a49 h VAL 3276Ca 0.17 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 1a49 h VAL 3276Cb 0.41 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1a49 h VAL 3276CO 0.01 0.38 -0.27 -0.09 0.02 0.00 0.00 177.57 177.63 1a49 h ARG 3277N 0.81 0.00 -0.22 1.57 2.43 -0.44 -2.75 114.38 115.78 1a49 h ARG 3277Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1a49 h ARG 3277Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1a49 h ARG 3277CO 0.02 0.27 0.00 0.54 -1.51 0.00 0.00 179.97 179.29 1a49 n ARG 3278N -3.94 2.72 -0.33 0.20 1.74 0.28 -4.74 116.66 112.60 1a49 n ARG 3278Ca -0.02 -2.25 0.04 0.00 -0.77 0.00 0.00 57.85 54.86 1a49 n ARG 3278Cb 0.34 -1.42 0.11 0.00 -1.02 0.00 0.00 32.46 30.47 1a49 n ARG 3278CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1a49 n PHE 3279N -0.20 0.26 -0.05 -1.55 7.35 -0.57 -1.71 117.46 120.98 1a49 n PHE 3279Ca 0.13 1.10 -0.08 0.00 -0.76 0.00 0.00 57.45 57.84 1a49 n PHE 3279Cb 0.56 -0.98 -0.01 0.00 0.35 0.00 0.00 39.48 39.39 1a49 n PHE 3279CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1a49 h ASP 3280N 0.00 -0.60 0.01 -2.13 3.32 -1.85 0.39 116.42 115.56 1a49 h ASP 3280Ca 0.41 0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.48 1a49 h ASP 3280Cb 0.63 0.30 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 1a49 h ASP 3280CO -0.92 -0.22 -0.27 1.05 -1.72 0.00 0.00 179.24 177.15 1a49 h GLU 3281N -0.18 0.41 0.10 3.56 4.11 -1.72 -0.92 114.58 119.94 1a49 h GLU 3281Ca 0.14 -0.16 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 1a49 h GLU 3281Cb 0.39 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1a49 h GLU 3281CO -0.35 0.65 -0.05 0.82 0.07 0.00 0.00 179.01 180.15 1a49 h ILE 3282N 0.36 1.00 -0.28 -1.06 2.04 -0.35 -1.35 117.51 117.88 1a49 h ILE 3282Ca 0.05 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.59 1a49 h ILE 3282Cb 0.67 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1a49 h ILE 3282CO 0.05 0.09 0.11 0.25 0.00 0.00 0.00 178.15 178.65 1a49 h LEU 3283N -0.29 0.14 -0.60 1.44 6.46 -0.16 -0.09 115.31 122.21 1a49 h LEU 3283Ca -0.01 0.02 0.12 0.00 -0.12 0.00 0.00 57.88 57.89 1a49 h LEU 3283Cb 0.24 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 40.08 1a49 h LEU 3283CO 0.02 0.12 0.05 -0.08 -0.62 0.00 0.00 178.44 177.93 1a49 h GLU 3284N 0.25 0.16 0.00 1.25 4.22 -1.04 -1.58 114.58 117.84 1a49 h GLU 3284Ca 0.12 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.55 1a49 h GLU 3284Cb 0.07 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1a49 h GLU 3284CO -0.11 0.11 -0.02 0.00 -2.18 0.00 0.00 179.01 176.80 1a49 h ALA 3285N 1.53 0.99 -0.62 2.92 0.00 -0.17 -3.47 119.26 120.44 1a49 h ALA 3285Ca 0.32 -0.02 -0.52 0.00 0.00 0.00 0.00 54.91 54.68 1a49 h ALA 3285Cb 0.50 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1a49 h ALA 3285CO -0.48 0.03 -0.12 -1.12 0.00 0.00 0.00 179.25 177.56 1a49 s SER 3286N -6.07 4.91 0.09 0.00 0.01 -0.15 -4.93 113.70 107.57 1a49 s SER 3286Ca 0.05 -1.01 0.23 0.00 1.31 0.00 0.00 55.95 56.53 1a49 s SER 3286Cb 0.06 0.49 0.08 0.00 0.21 0.00 0.00 66.02 66.86 1a49 s SER 3286CO 0.64 -1.38 1.06 0.47 0.41 0.00 0.00 173.24 174.43 1a49 n ASP 3287N -2.19 0.64 0.00 2.44 8.00 0.40 -4.95 116.55 120.88 1a49 n ASP 3287Ca 0.12 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1a49 n ASP 3287Cb 0.63 0.66 0.00 0.00 -0.02 0.00 0.00 41.12 42.39 1a49 n ASP 3287CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a49 n GLY 3288N 1.31 -0.31 3.04 0.44 0.00 -1.19 -4.03 105.19 104.46 1a49 n GLY 3288Ca 0.01 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 1a49 n GLY 3288CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a49 s ILE 3289N -2.00 0.21 -0.06 -0.61 -1.09 -0.44 -1.12 121.20 116.09 1a49 s ILE 3289Ca 0.00 -1.40 0.02 0.00 -2.23 0.00 0.00 60.65 57.04 1a49 s ILE 3289Cb 0.00 -0.95 0.01 0.00 -1.58 0.00 0.00 42.46 39.95 1a49 s ILE 3289CO 0.00 -0.75 -0.11 -0.32 -1.23 0.00 0.00 174.94 172.52 1a49 s MET 3290N -2.76 1.59 -0.80 2.79 -2.45 -0.64 0.23 119.30 117.26 1a49 s MET 3290Ca -0.03 -0.37 -0.22 0.00 -1.25 0.00 0.00 55.69 53.82 1a49 s MET 3290Cb -0.01 -1.34 0.09 0.00 1.25 0.00 0.00 34.83 34.82 1a49 s MET 3290CO -0.05 0.01 1.10 0.08 1.05 0.00 0.00 175.02 177.20 1a49 s VAL 3291N 0.72 4.38 -1.40 10.11 1.01 0.26 -2.29 120.40 133.19 1a49 s VAL 3291Ca -0.14 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 1a49 s VAL 3291Cb -0.16 -4.78 0.08 0.00 0.00 0.00 0.00 36.38 31.53 1a49 s VAL 3291CO 0.03 -1.56 2.13 0.00 0.00 0.00 0.00 175.10 175.70 1a49 n ALA 3292N 7.55 5.58 0.19 5.51 0.00 -0.90 -2.08 120.51 136.36 1a49 n ALA 3292Ca 0.10 -4.03 0.14 0.00 0.00 0.00 0.00 53.44 49.65 1a49 n ALA 3292Cb 0.48 -3.31 0.73 0.00 0.00 0.00 0.00 19.45 17.34 1a49 n ALA 3292CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a49 h ARG 3293N 5.84 0.00 0.39 0.00 3.08 -1.81 -1.33 114.38 120.55 1a49 h ARG 3293Ca 0.52 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.55 1a49 h ARG 3293Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1a49 h ARG 3293CO 1.78 0.00 -0.19 0.78 -1.07 0.00 0.00 179.97 181.27 1a49 h GLY 3294N 0.00 -0.55 1.00 0.04 0.00 -1.84 0.33 103.07 102.05 1a49 h GLY 3294Ca 0.08 0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 1a49 h GLY 3294CO -0.00 -0.20 0.21 -0.55 0.00 0.00 0.00 176.54 175.99 1a49 h ASP 3295N -0.55 0.86 -0.49 0.19 3.32 -1.88 -2.90 116.42 114.96 1a49 h ASP 3295Ca -0.05 -0.20 0.04 0.00 0.02 0.00 0.00 57.03 56.84 1a49 h ASP 3295Cb 0.41 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1a49 h ASP 3295CO 0.09 0.82 0.33 0.25 -1.72 0.00 0.00 179.24 179.01 1a49 h LEU 3296N 0.85 0.43 -1.96 1.55 5.85 -1.12 -0.33 115.31 120.58 1a49 h LEU 3296Ca 0.20 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1a49 h LEU 3296Cb 0.26 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1a49 h LEU 3296CO -0.01 0.29 -0.06 1.23 -0.34 0.00 0.00 178.44 179.56 1a49 h GLY 3297N 0.50 0.00 0.00 3.75 0.00 -0.13 0.17 103.07 107.36 1a49 h GLY 3297Ca 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 1a49 h GLY 3297CO -0.05 0.00 -1.61 4.51 0.00 0.00 0.00 176.54 179.39 1a49 n ILE 3298N -3.29 0.13 -0.02 2.60 0.13 -0.79 -3.84 119.36 114.29 1a49 n ILE 3298Ca -0.01 -0.32 -0.17 0.00 -1.10 0.00 0.00 62.75 61.15 1a49 n ILE 3298Cb 0.23 0.06 -0.08 0.00 -0.84 0.00 0.00 39.64 39.02 1a49 n ILE 3298CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1a49 h GLU 3299N 0.00 0.67 -5.78 9.51 4.39 -0.76 -3.44 114.58 119.17 1a49 h GLU 3299Ca -0.05 -0.55 -0.62 0.00 0.34 0.00 0.00 59.36 58.48 1a49 h GLU 3299Cb 0.76 0.12 -0.12 0.00 -0.10 0.00 0.00 28.75 29.41 1a49 h GLU 3299CO 0.00 1.17 -0.60 0.96 -1.16 0.00 0.00 179.01 179.37 1a49 s ILE 3300N -3.71 2.15 0.01 3.13 -4.36 0.56 -4.76 121.20 114.22 1a49 s ILE 3300Ca -0.11 -2.00 -0.33 0.00 -0.26 0.00 0.00 60.65 57.94 1a49 s ILE 3300Cb 0.07 -2.91 -0.12 0.00 1.25 0.00 0.00 42.46 40.76 1a49 s ILE 3300CO 0.87 -0.06 1.82 -2.65 0.24 0.00 0.00 174.94 175.16 1a49 n PRO 3301N -0.97 2.33 -0.31 0.37 -0.02 -1.26 -4.52 135.00 130.62 1a49 n PRO 3301Ca -0.04 0.85 0.16 0.00 -2.02 0.00 0.00 63.50 62.45 1a49 n PRO 3301Cb 0.65 -2.70 0.34 0.00 -0.02 0.00 0.00 33.50 31.77 1a49 n PRO 3301CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a49 h ALA 3302N 8.58 1.41 0.00 3.55 0.00 -1.91 0.17 119.26 131.06 1a49 h ALA 3302Ca -0.48 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1a49 h ALA 3302Cb 1.26 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1a49 h ALA 3302CO 0.93 -0.54 0.00 -0.85 0.00 0.00 0.00 179.25 178.79 1a49 n GLU 3303N -5.26 0.18 -0.01 0.00 0.00 -1.26 -3.03 120.64 111.26 1a49 n GLU 3303Ca 0.24 0.16 0.11 0.00 0.00 0.00 0.00 57.16 57.67 1a49 n GLU 3303Cb 0.78 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 30.57 1a49 n GLU 3303CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1a49 n LYS 3304N -1.32 0.39 -0.16 3.44 5.02 0.60 -4.65 118.16 121.48 1a49 n LYS 3304Ca 0.06 -0.12 -0.04 0.00 -2.02 0.00 0.00 58.31 56.20 1a49 n LYS 3304Cb 0.13 -1.51 0.03 0.00 -0.02 0.00 0.00 35.03 33.65 1a49 n LYS 3304CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a49 h VAL 3305N 0.00 0.35 -0.55 -0.18 2.07 -1.53 -0.28 116.25 116.14 1a49 h VAL 3305Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1a49 h VAL 3305Cb 0.79 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1a49 h VAL 3305CO 0.00 0.00 0.37 2.19 0.02 0.00 0.00 177.57 180.15 1a49 h PHE 3306N -0.09 0.32 0.34 1.57 -0.00 -1.82 0.54 116.94 117.80 1a49 h PHE 3306Ca 0.24 0.01 -0.02 0.00 -0.00 0.00 0.00 57.97 58.20 1a49 h PHE 3306Cb 0.46 -0.10 0.00 0.00 -0.00 0.00 0.00 35.95 36.31 1a49 h PHE 3306CO -0.50 0.15 -0.17 -0.07 -0.00 0.00 0.00 178.31 177.73 1a49 h LEU 3307N 0.30 -0.39 -0.37 2.10 3.38 -1.37 0.47 115.31 119.43 1a49 h LEU 3307Ca 0.25 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.24 1a49 h LEU 3307Cb 0.60 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1a49 h LEU 3307CO -0.06 -0.22 0.12 0.00 0.09 0.00 0.00 178.44 178.37 1a49 h ALA 3308N 0.10 0.42 -0.29 1.53 0.00 -0.65 0.43 119.26 120.79 1a49 h ALA 3308Ca -0.05 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1a49 h ALA 3308Cb 0.40 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1a49 h ALA 3308CO 0.08 -0.27 0.16 0.37 0.00 0.00 0.00 179.25 179.59 1a49 h GLN 3309N 0.27 0.33 -0.21 0.00 4.15 0.38 -1.18 115.11 118.85 1a49 h GLN 3309Ca 0.17 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.46 1a49 h GLN 3309Cb 0.15 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1a49 h GLN 3309CO -0.18 0.22 -0.35 0.87 -1.93 0.00 0.00 178.83 177.46 1a49 h LYS 3310N 0.34 0.45 0.05 1.69 1.57 0.46 -0.98 116.57 120.14 1a49 h LYS 3310Ca 0.12 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1a49 h LYS 3310Cb 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1a49 h LYS 3310CO -0.06 0.74 -0.02 1.98 -0.57 0.00 0.00 179.45 181.52 1a49 h MET 3311N 0.38 -0.06 0.39 3.15 4.05 -0.64 -0.34 114.93 121.86 1a49 h MET 3311Ca 0.04 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 1a49 h MET 3311Cb 0.80 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.60 1a49 h MET 3311CO 0.06 0.22 -0.28 0.82 0.23 0.00 0.00 176.91 177.96 1a49 h ILE 3312N -0.34 0.42 -0.88 1.77 2.04 -1.22 0.24 117.51 119.54 1a49 h ILE 3312Ca -0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1a49 h ILE 3312Cb 0.30 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 1a49 h ILE 3312CO 0.01 0.00 0.57 0.40 0.00 0.00 0.00 178.15 179.13 1a49 h ILE 3313N -0.65 1.11 -0.14 -0.67 2.04 -1.17 -0.42 117.51 117.61 1a49 h ILE 3313Ca -0.04 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.47 1a49 h ILE 3313Cb 0.56 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1a49 h ILE 3313CO 0.01 0.20 0.04 1.23 0.00 0.00 0.00 178.15 179.62 1a49 h GLY 3314N 1.07 0.17 1.39 5.37 0.00 -0.64 -1.80 103.07 108.63 1a49 h GLY 3314Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1a49 h GLY 3314CO -0.14 0.01 0.39 3.21 0.00 0.00 0.00 176.54 180.01 1a49 h ARG 3315N 0.10 0.82 -0.25 4.80 3.08 -0.43 0.23 114.38 122.72 1a49 h ARG 3315Ca 0.06 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1a49 h ARG 3315Cb 0.05 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 1a49 h ARG 3315CO -0.07 0.55 -0.27 0.00 -1.07 0.00 0.00 179.97 179.11 1a49 h ASN 3317N 0.34 -0.06 -1.00 0.00 -0.26 -0.55 1.53 115.58 115.58 1a49 h ASN 3317Ca 0.04 0.04 0.03 0.00 -0.56 0.00 0.00 56.30 55.85 1a49 h ASN 3317Cb 0.83 0.07 -0.06 0.00 -1.06 0.00 0.00 38.32 38.11 1a49 h ASN 3317CO 0.07 -0.00 0.66 -0.09 -1.06 0.00 0.00 177.43 177.00 1a49 h ARG 3318N 0.08 1.25 0.00 0.81 2.43 -0.49 -1.70 114.38 116.78 1a49 h ARG 3318Ca 0.10 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1a49 h ARG 3318Cb 0.12 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1a49 h ARG 3318CO -0.16 0.83 -0.19 0.00 -1.51 0.00 0.00 179.97 178.94 1a49 h ALA 3319N 1.40 0.87 -1.47 2.80 0.00 -0.23 -3.44 119.26 119.19 1a49 h ALA 3319Ca 0.39 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.14 1a49 h ALA 3319Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1a49 h ALA 3319CO -0.12 0.00 -0.22 0.41 0.00 0.00 0.00 179.25 179.32 1a49 n GLY 3320N 1.31 0.08 3.25 0.00 0.00 0.50 -5.02 105.19 105.30 1a49 n GLY 3320Ca 0.05 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 1a49 n GLY 3320CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a49 s LYS 3321N -4.59 2.24 0.30 1.61 1.02 0.13 -4.98 119.74 115.47 1a49 s LYS 3321Ca 0.04 -0.85 -0.29 0.00 0.02 0.00 0.00 55.97 54.89 1a49 s LYS 3321Cb -0.02 -1.98 -0.13 0.00 -0.52 0.00 0.00 37.83 35.19 1a49 s LYS 3321CO 0.05 0.40 1.26 -0.35 -0.92 0.00 0.00 175.35 175.79 1a49 n PRO 3322N 2.83 1.91 -4.37 -1.68 -0.04 -1.26 -4.29 135.00 128.10 1a49 n PRO 3322Ca -0.17 0.67 -0.20 0.00 -0.04 0.00 0.00 63.50 63.76 1a49 n PRO 3322Cb 0.52 -2.23 -0.15 0.00 -0.04 0.00 0.00 33.50 31.60 1a49 n PRO 3322CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1a49 s VAL 3323N -0.81 0.76 -0.11 0.52 0.11 -1.26 -1.32 120.40 118.29 1a49 s VAL 3323Ca 0.60 -0.35 0.02 0.00 -2.93 0.00 0.00 61.98 59.31 1a49 s VAL 3323Cb -0.62 -0.67 -0.01 0.00 -1.53 0.00 0.00 36.38 33.54 1a49 s VAL 3323CO 0.58 0.24 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.80 1a49 s ILE 3324N 0.15 2.80 -0.19 7.04 1.01 0.14 -0.47 121.20 131.68 1a49 s ILE 3324Ca -0.02 -0.76 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 1a49 s ILE 3324Cb -0.08 -2.14 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 1a49 s ILE 3324CO 0.00 0.54 0.13 0.00 0.00 0.00 0.00 174.94 175.61 1a49 s ALA 3326N 0.14 0.36 0.09 0.00 0.00 -0.88 -1.88 121.76 119.59 1a49 s ALA 3326Ca 0.09 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1a49 s ALA 3326Cb -0.11 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.42 1a49 s ALA 3326CO -0.01 -0.43 0.00 2.41 0.00 0.00 0.00 175.76 177.73 1a49 n THR 3327N 0.03 -3.18 -1.44 0.00 -1.04 -1.26 -3.21 114.28 104.19 1a49 n THR 3327Ca -0.13 0.77 -0.15 0.00 -2.04 0.00 0.00 64.05 62.49 1a49 n THR 3327Cb 0.62 -2.07 -0.07 0.00 -1.82 0.00 0.00 70.33 66.99 1a49 n THR 3327CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a49 n GLN 3328N 0.01 -1.17 -0.05 -2.82 6.02 -1.26 -4.69 117.38 113.41 1a49 n GLN 3328Ca 0.00 1.03 0.01 0.00 -0.01 0.00 0.00 57.00 58.03 1a49 n GLN 3328Cb 0.00 -5.22 0.33 0.00 1.02 0.00 0.00 30.24 26.37 1a49 n GLN 3328CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1a49 h MET 3329N 0.02 0.64 -0.51 -1.09 2.86 -1.89 -2.98 114.93 111.97 1a49 h MET 3329Ca -0.31 -0.07 -0.31 0.00 -2.06 0.00 0.00 59.70 56.94 1a49 h MET 3329Cb 1.05 -0.13 -0.41 0.00 0.06 0.00 0.00 31.60 32.18 1a49 h MET 3329CO 0.46 0.50 -1.05 1.28 1.06 0.00 0.00 176.91 179.16 1a49 n LEU 3330N -4.39 2.32 -0.33 1.22 4.32 -1.26 -4.53 117.00 114.36 1a49 n LEU 3330Ca 0.04 -3.42 0.23 0.00 -0.02 0.00 0.00 56.01 52.84 1a49 n LEU 3330Cb 0.13 0.29 0.46 0.00 -1.62 0.00 0.00 43.42 42.68 1a49 n LEU 3330CO 0.37 1.28 1.06 -0.08 -1.22 0.00 0.00 177.39 178.80 1a49 h GLU 3331N 2.52 0.22 0.00 3.23 4.57 -1.93 -1.48 114.58 121.71 1a49 h GLU 3331Ca -0.03 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 1a49 h GLU 3331Cb 1.33 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 1a49 h GLU 3331CO 0.31 0.14 -0.27 0.66 -1.18 0.00 0.00 179.01 178.67 1a49 h SER 3332N 0.23 0.00 0.00 1.04 4.64 -1.92 -3.00 113.55 114.53 1a49 h SER 3332Ca 0.72 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.04 1a49 h SER 3332Cb 1.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1a49 h SER 3332CO -0.66 0.27 0.00 0.23 -0.87 0.00 0.00 176.83 175.80 1a49 n MET 3333N -3.63 0.54 0.03 4.77 2.81 -0.56 0.74 117.12 121.83 1a49 n MET 3333Ca -0.01 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.81 1a49 n MET 3333Cb 0.40 -1.45 0.10 0.00 -0.71 0.00 0.00 33.22 31.56 1a49 n MET 3333CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1a49 h ILE 3334N 0.00 1.33 0.00 2.02 2.04 -1.70 -3.33 117.51 117.87 1a49 h ILE 3334Ca 0.00 -1.74 -0.03 0.00 1.00 0.00 0.00 64.86 64.09 1a49 h ILE 3334Cb 0.00 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1a49 h ILE 3334CO 0.00 0.53 -1.30 0.29 0.00 0.00 0.00 178.15 177.68 1a49 n LYS 3335N -3.97 1.14 -4.41 2.37 5.02 -0.75 -0.20 118.16 117.37 1a49 n LYS 3335Ca -0.02 -0.04 -0.31 0.00 -2.02 0.00 0.00 58.31 55.92 1a49 n LYS 3335Cb 0.57 -1.14 -0.11 0.00 -0.02 0.00 0.00 35.03 34.34 1a49 n LYS 3335CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1a49 s LYS 3336N -2.31 2.28 0.43 1.97 3.01 0.23 -4.93 119.74 120.42 1a49 s LYS 3336Ca -0.02 -0.90 0.29 0.00 -1.01 0.00 0.00 55.97 54.33 1a49 s LYS 3336Cb 0.03 -2.36 1.16 0.00 -1.01 0.00 0.00 37.83 35.65 1a49 s LYS 3336CO 0.23 0.55 1.86 -1.00 0.51 0.00 0.00 175.35 177.51 1a49 h PRO 3337N 4.15 0.00 -4.80 -1.68 0.13 -1.85 -3.33 132.00 124.60 1a49 h PRO 3337Ca -0.48 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.13 1a49 h PRO 3337Cb 1.16 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.97 1a49 h PRO 3337CO 0.52 0.00 -0.82 1.03 -0.23 0.00 0.00 178.00 178.50 1a49 s ARG 3338N -3.50 1.63 0.77 0.86 0.52 -1.26 -4.96 118.95 113.01 1a49 s ARG 3338Ca 0.03 -0.46 -0.11 0.00 -0.52 0.00 0.00 55.73 54.67 1a49 s ARG 3338Cb 0.09 -1.38 0.06 0.00 0.52 0.00 0.00 34.95 34.23 1a49 s ARG 3338CO 0.50 0.11 1.08 -1.25 0.02 0.00 0.00 175.30 175.77 1a49 s PRO 3339N 0.38 2.26 1.03 3.54 0.04 -1.26 -4.70 135.00 136.29 1a49 s PRO 3339Ca -0.09 1.03 -0.17 0.00 0.04 0.00 0.00 61.00 61.81 1a49 s PRO 3339Cb -0.13 -1.91 0.22 0.00 0.04 0.00 0.00 34.50 32.72 1a49 s PRO 3339CO 0.03 -1.60 1.25 0.95 0.04 0.00 0.00 177.00 177.67 1a49 s THR 3340N -2.96 1.88 0.11 1.26 -4.23 -1.26 -4.89 115.64 105.55 1a49 s THR 3340Ca 0.61 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.97 1a49 s THR 3340Cb -0.16 -2.84 -0.08 0.00 1.34 0.00 0.00 72.50 70.76 1a49 s THR 3340CO 0.56 0.00 1.43 0.03 -0.54 0.00 0.00 174.62 176.10 1a49 h ARG 3341N -1.90 0.74 -0.97 3.99 2.47 -2.01 -2.79 114.38 113.91 1a49 h ARG 3341Ca -0.45 -0.39 0.04 0.00 -1.26 0.00 0.00 59.98 57.93 1a49 h ARG 3341Cb 1.26 0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 29.53 1a49 h ARG 3341CO 0.38 1.01 0.63 0.00 0.56 0.00 0.00 179.97 182.56 1a49 h ALA 3342N 0.71 1.39 -0.19 0.04 0.00 -1.99 -2.45 119.26 116.78 1a49 h ALA 3342Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1a49 h ALA 3342Cb 0.88 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1a49 h ALA 3342CO 0.08 0.50 0.09 0.93 0.00 0.00 0.00 179.25 180.85 1a49 h GLU 3343N 1.19 0.27 -0.59 0.00 5.08 -1.75 0.24 114.58 119.03 1a49 h GLU 3343Ca 0.39 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1a49 h GLU 3343Cb 0.05 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1a49 h GLU 3343CO -0.13 0.29 0.38 0.78 -1.00 0.00 0.00 179.01 179.33 1a49 h GLY 3344N 0.18 0.84 0.56 -3.84 0.00 -1.40 -1.64 103.07 97.77 1a49 h GLY 3344Ca 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1a49 h GLY 3344CO -0.01 0.32 -0.37 0.23 0.00 0.00 0.00 176.54 176.71 1a49 h SER 3345N 0.80 -1.02 -0.72 0.19 0.87 -1.31 -2.10 113.55 110.25 1a49 h SER 3345Ca 0.22 0.09 0.16 0.00 -1.23 0.00 0.00 61.79 61.02 1a49 h SER 3345Cb -0.07 0.35 -0.11 0.00 -0.44 0.00 0.00 62.40 62.13 1a49 h SER 3345CO -0.04 -0.50 0.17 -0.78 -0.53 0.00 0.00 176.83 175.15 1a49 h ASP 3346N -0.73 0.02 -0.28 6.23 3.58 -0.75 0.20 116.42 124.68 1a49 h ASP 3346Ca -0.02 0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 1a49 h ASP 3346Cb 0.67 0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 1a49 h ASP 3346CO -0.10 -0.03 0.08 0.58 -2.88 0.00 0.00 179.24 176.90 1a49 h VAL 3347N 0.27 1.20 -0.32 2.25 2.07 -1.06 -1.60 116.25 119.06 1a49 h VAL 3347Ca 0.41 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1a49 h VAL 3347Cb 0.68 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1a49 h VAL 3347CO -0.50 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.31 1a49 h ALA 3348N 0.92 0.43 -0.22 1.67 0.00 -0.57 -2.53 119.26 118.96 1a49 h ALA 3348Ca 0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1a49 h ALA 3348Cb 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1a49 h ALA 3348CO -0.00 0.18 -0.02 -0.91 0.00 0.00 0.00 179.25 178.50 1a49 h ASN 3349N 0.36 0.30 -0.19 0.00 -0.26 -0.55 0.35 115.58 115.59 1a49 h ASN 3349Ca 0.09 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.78 1a49 h ASN 3349Cb 0.44 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 1a49 h ASN 3349CO 0.02 0.38 0.10 0.00 -1.06 0.00 0.00 177.43 176.86 1a49 h ALA 3350N 1.67 0.25 -0.37 -0.83 0.00 -1.22 0.93 119.26 119.69 1a49 h ALA 3350Ca 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1a49 h ALA 3350Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1a49 h ALA 3350CO 0.01 -0.19 0.22 0.28 0.00 0.00 0.00 179.25 179.57 1a49 h VAL 3351N 0.19 1.05 -0.85 0.00 2.07 -0.65 -1.82 116.25 116.24 1a49 h VAL 3351Ca 0.07 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1a49 h VAL 3351Cb 0.11 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1a49 h VAL 3351CO -0.01 0.08 0.44 -0.07 0.02 0.00 0.00 177.57 178.03 1a49 h LEU 3352N 0.45 1.09 -1.72 2.57 3.38 -0.08 -0.81 115.31 120.19 1a49 h LEU 3352Ca 0.15 -0.12 0.15 0.00 0.09 0.00 0.00 57.88 58.15 1a49 h LEU 3352Cb -0.01 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 1a49 h LEU 3352CO -0.06 0.89 0.47 0.44 0.09 0.00 0.00 178.44 180.27 1a49 h ASP 3353N 1.20 0.26 0.00 -0.43 3.32 0.16 -3.45 116.42 117.47 1a49 h ASP 3353Ca 0.30 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1a49 h ASP 3353Cb 0.07 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1a49 h ASP 3353CO -0.04 0.14 0.00 0.61 -1.72 0.00 0.00 179.24 178.22 1a49 n GLY 3354N -1.56 1.30 3.71 2.75 0.00 -0.31 -4.68 105.19 106.40 1a49 n GLY 3354Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1a49 n GLY 3354CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 n ALA 3355N -0.21 1.94 -0.00 4.61 0.00 -1.00 -4.90 120.51 120.95 1a49 n ALA 3355Ca 0.00 0.40 -0.18 0.00 0.00 0.00 0.00 53.44 53.65 1a49 n ALA 3355Cb 0.00 -2.39 -0.08 0.00 0.00 0.00 0.00 19.45 16.98 1a49 n ALA 3355CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1a49 h ASP 3356N 4.92 0.93 -4.50 0.00 3.32 -1.09 -3.46 116.42 116.54 1a49 h ASP 3356Ca -0.46 -0.67 -0.29 0.00 0.02 0.00 0.00 57.03 55.64 1a49 h ASP 3356Cb 1.24 -0.28 -0.18 0.00 0.22 0.00 0.00 39.33 40.34 1a49 h ASP 3356CO 0.81 1.45 -0.72 0.00 -1.72 0.00 0.00 179.24 179.06 1a49 s ILE 3358N -2.53 1.75 0.06 0.00 -4.36 -0.72 -1.45 121.20 113.95 1a49 s ILE 3358Ca 0.04 -2.20 -0.01 0.00 -0.26 0.00 0.00 60.65 58.22 1a49 s ILE 3358Cb -0.02 -2.16 -0.04 0.00 1.25 0.00 0.00 42.46 41.49 1a49 s ILE 3358CO -0.01 -0.51 -0.03 -0.32 0.24 0.00 0.00 174.94 174.31 1a49 s MET 3359N -3.66 0.63 -0.08 0.37 1.75 -0.79 -1.72 119.30 115.81 1a49 s MET 3359Ca 0.25 -1.23 0.04 0.00 -1.25 0.00 0.00 55.69 53.50 1a49 s MET 3359Cb 0.00 0.19 -0.01 0.00 2.84 0.00 0.00 34.83 37.85 1a49 s MET 3359CO 0.09 -0.11 -0.22 -0.51 -0.65 0.00 0.00 175.02 173.62 1a49 s LEU 3360N -2.93 2.24 0.00 4.11 1.43 0.10 -4.27 118.68 119.36 1a49 s LEU 3360Ca 0.08 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1a49 s LEU 3360Cb 0.08 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.86 1a49 s LEU 3360CO -0.09 0.22 0.00 -1.20 0.23 0.00 0.00 176.35 175.51 1a49 n SER 3361N 3.13 0.00 0.14 2.29 7.64 -1.26 -2.21 113.62 123.35 1a49 n SER 3361Ca -0.18 0.00 0.19 0.00 1.01 0.00 0.00 58.87 59.89 1a49 n SER 3361Cb 0.52 0.00 0.77 0.00 -1.01 0.00 0.00 64.21 64.49 1a49 n SER 3361CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1a49 h GLY 3362N 0.00 0.00 1.06 0.23 0.00 -1.97 0.25 103.07 102.64 1a49 h GLY 3362Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1a49 h GLY 3362CO 0.00 0.00 0.45 0.83 0.00 0.00 0.00 176.54 177.82 1a49 h GLU 3363N 0.00 1.22 0.00 4.80 3.07 -1.91 -1.22 114.58 120.54 1a49 h GLU 3363Ca 0.15 -0.16 -0.14 0.00 -0.50 0.00 0.00 59.36 58.71 1a49 h GLU 3363Cb 0.92 -0.23 -0.03 0.00 -0.84 0.00 0.00 28.75 28.57 1a49 h GLU 3363CO -0.00 0.91 -1.89 0.25 -1.40 0.00 0.00 179.01 176.88 1a49 n THR 3364N -4.32 0.52 0.12 1.13 -2.24 -0.32 -3.53 114.28 105.64 1a49 n THR 3364Ca 0.09 -0.51 -0.20 0.00 -2.27 0.00 0.00 64.05 61.17 1a49 n THR 3364Cb 0.12 -0.24 -0.15 0.00 -2.10 0.00 0.00 70.33 67.95 1a49 n THR 3364CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a49 h ALA 3365N 1.10 -0.02 0.00 6.98 0.00 -0.50 -3.28 119.26 123.55 1a49 h ALA 3365Ca -0.21 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 53.82 1a49 h ALA 3365Cb 1.34 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1a49 h ALA 3365CO 0.01 0.85 0.00 0.36 0.00 0.00 0.00 179.25 180.48 1a49 n LYS 3366N -3.61 0.77 -1.72 0.00 2.85 -0.89 -0.87 118.16 114.69 1a49 n LYS 3366Ca -0.12 -0.09 -0.29 0.00 -1.05 0.00 0.00 58.31 56.76 1a49 n LYS 3366Cb 1.06 -0.43 0.09 0.00 -0.65 0.00 0.00 35.03 35.10 1a49 n LYS 3366CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1a49 s GLY 3367N -0.13 1.60 0.04 2.58 0.00 -0.51 -4.78 107.32 106.10 1a49 s GLY 3367Ca 0.00 -0.47 0.27 0.00 0.00 0.00 0.00 44.72 44.52 1a49 s GLY 3367CO 0.00 0.01 1.70 1.22 0.00 0.00 0.00 173.10 176.03 1a49 n ASP 3368N -3.41 0.31 -2.68 1.64 8.00 0.73 -4.25 116.55 116.89 1a49 n ASP 3368Ca 0.07 0.25 -0.07 0.00 0.71 0.00 0.00 54.79 55.75 1a49 n ASP 3368Cb 0.59 -0.25 0.04 0.00 -0.02 0.00 0.00 41.12 41.48 1a49 n ASP 3368CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1a49 n TYR 3369N -1.65 1.52 -0.32 1.24 4.01 -1.25 -4.94 117.16 115.77 1a49 n TYR 3369Ca 0.06 -2.38 0.13 0.00 -0.16 0.00 0.00 57.90 55.54 1a49 n TYR 3369Cb 0.36 -0.28 0.35 0.00 -0.31 0.00 0.00 39.34 39.46 1a49 n TYR 3369CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a49 h PRO 3370N 2.67 0.71 -0.47 -0.72 0.13 -1.73 -2.06 132.00 130.53 1a49 h PRO 3370Ca -0.05 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.94 1a49 h PRO 3370Cb 1.26 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1a49 h PRO 3370CO 0.37 0.47 -0.10 -0.07 -0.23 0.00 0.00 178.00 178.45 1a49 h LEU 3371N 0.74 0.89 -0.83 1.56 3.38 -1.92 -2.27 115.31 116.85 1a49 h LEU 3371Ca 0.52 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 1a49 h LEU 3371Cb 0.84 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1a49 h LEU 3371CO -0.29 1.04 -0.46 -0.33 0.09 0.00 0.00 178.44 178.49 1a49 h GLU 3372N 0.73 0.00 -0.13 1.13 3.07 -1.89 -1.97 114.58 115.53 1a49 h GLU 3372Ca 0.12 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.76 1a49 h GLU 3372Cb 0.64 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.56 1a49 h GLU 3372CO 0.04 0.46 -0.80 0.00 -1.40 0.00 0.00 179.01 177.32 1a49 h ALA 3373N 1.54 0.35 0.08 3.43 0.00 -0.95 -0.56 119.26 123.15 1a49 h ALA 3373Ca -0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 1a49 h ALA 3373Cb 0.99 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1a49 h ALA 3373CO 0.06 0.70 -0.04 0.28 0.00 0.00 0.00 179.25 180.25 1a49 h VAL 3374N 0.48 1.04 -0.41 0.00 2.07 -1.33 -1.88 116.25 116.22 1a49 h VAL 3374Ca -0.06 -0.44 0.08 0.00 0.82 0.00 0.00 66.70 67.11 1a49 h VAL 3374Cb 1.42 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 32.44 1a49 h VAL 3374CO 0.16 0.11 -0.03 0.03 0.02 0.00 0.00 177.57 177.85 1a49 h ARG 3375N -0.31 0.07 -0.98 1.57 3.08 -1.34 -0.47 114.38 116.00 1a49 h ARG 3375Ca -0.01 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.14 1a49 h ARG 3375Cb 0.26 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.22 1a49 h ARG 3375CO 0.02 0.04 0.61 1.98 -1.07 0.00 0.00 179.97 181.56 1a49 h MET 3376N 0.07 0.96 -0.32 0.04 4.05 -0.88 0.36 114.93 119.21 1a49 h MET 3376Ca 0.20 -0.06 -0.05 0.00 -0.28 0.00 0.00 59.70 59.51 1a49 h MET 3376Cb 0.29 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 1a49 h MET 3376CO -0.36 0.64 0.00 1.96 0.23 0.00 0.00 176.91 179.38 1a49 h GLN 3377N 0.99 0.55 -0.51 0.39 4.20 -0.48 -1.15 115.11 119.10 1a49 h GLN 3377Ca 0.48 -0.17 0.06 0.00 0.06 0.00 0.00 58.65 59.07 1a49 h GLN 3377Cb 0.43 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.11 1a49 h GLN 3377CO -0.25 0.69 0.22 1.25 -0.67 0.00 0.00 178.83 180.07 1a49 h HIS 3378N 0.36 0.40 0.61 2.96 2.76 -0.40 -0.53 115.15 121.31 1a49 h HIS 3378Ca 0.09 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 1a49 h HIS 3378Cb 0.43 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.28 1a49 h HIS 3378CO 0.04 0.17 -0.40 -0.07 -1.30 0.00 0.00 177.93 176.36 1a49 h LEU 3379N 0.43 -1.03 -0.78 0.26 4.07 -0.61 -1.98 115.31 115.67 1a49 h LEU 3379Ca 0.24 0.06 0.02 0.00 0.08 0.00 0.00 57.88 58.28 1a49 h LEU 3379Cb 0.21 0.31 -0.04 0.00 1.08 0.00 0.00 40.66 42.21 1a49 h LEU 3379CO -0.20 -0.61 0.51 0.40 -1.08 0.00 0.00 178.44 177.45 1a49 h ILE 3380N -0.97 1.16 -0.54 1.22 2.04 -1.10 -2.84 117.51 116.48 1a49 h ILE 3380Ca -0.07 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.48 1a49 h ILE 3380Cb 0.79 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1a49 h ILE 3380CO 0.05 0.18 0.29 0.00 0.00 0.00 0.00 178.15 178.68 1a49 h ALA 3381N 1.31 0.69 -0.06 1.87 0.00 -0.90 0.08 119.26 122.25 1a49 h ALA 3381Ca 0.30 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1a49 h ALA 3381Cb -0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1a49 h ALA 3381CO -0.09 -0.03 -0.35 0.07 0.00 0.00 0.00 179.25 178.86 1a49 h ARG 3382N 0.57 0.13 0.02 0.00 0.11 -1.18 -1.13 114.38 112.90 1a49 h ARG 3382Ca 0.23 -0.05 -0.00 0.00 0.10 0.00 0.00 59.98 60.26 1a49 h ARG 3382Cb 0.10 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.17 1a49 h ARG 3382CO -0.14 0.46 -0.01 0.93 0.10 0.00 0.00 179.97 181.32 1a49 h GLU 3383N 0.11 -0.03 0.00 0.08 4.39 -1.15 -3.20 114.58 114.78 1a49 h GLU 3383Ca 0.01 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 1a49 h GLU 3383Cb 0.68 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1a49 h GLU 3383CO 0.05 0.41 -0.31 0.00 -1.16 0.00 0.00 179.01 178.00 1a49 h ALA 3384N 0.49 1.34 -0.78 3.43 0.00 -0.94 -2.64 119.26 120.17 1a49 h ALA 3384Ca -0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1a49 h ALA 3384Cb 0.45 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1a49 h ALA 3384CO 0.00 0.39 0.34 0.93 0.00 0.00 0.00 179.25 180.92 1a49 h GLU 3385N 0.00 1.14 -0.20 0.00 5.08 -1.20 -2.50 114.58 116.90 1a49 h GLU 3385Ca -0.00 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.07 1a49 h GLU 3385Cb 0.60 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1a49 h GLU 3385CO 0.04 0.90 -0.34 0.00 -1.00 0.00 0.00 179.01 178.61 1a49 h ALA 3386N 1.25 1.03 0.00 3.43 0.00 -1.51 -2.66 119.26 120.80 1a49 h ALA 3386Ca 0.27 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1a49 h ALA 3386Cb 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1a49 h ALA 3386CO -0.03 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.81 1a49 n ALA 3387N -2.49 2.34 -1.53 0.00 0.00 -0.96 -4.48 120.51 113.39 1a49 n ALA 3387Ca -0.01 -0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 1a49 n ALA 3387Cb 0.46 -1.30 0.10 0.00 0.00 0.00 0.00 19.45 18.71 1a49 n ALA 3387CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1a49 s MET 3388N -2.00 1.97 -0.93 0.00 -1.94 -1.00 -4.95 119.30 110.45 1a49 s MET 3388Ca 0.27 0.63 -0.01 0.00 -1.71 0.00 0.00 55.69 54.88 1a49 s MET 3388Cb 0.12 -1.91 0.28 0.00 2.01 0.00 0.00 34.83 35.34 1a49 s MET 3388CO 0.21 -1.70 1.16 0.34 -0.01 0.00 0.00 175.02 175.02 1a49 n PHE 3389N -3.48 3.09 -0.16 -0.03 -0.00 -1.26 -4.83 117.46 110.79 1a49 n PHE 3389Ca 0.07 -3.32 -0.04 0.00 -0.00 0.00 0.00 57.45 54.15 1a49 n PHE 3389Cb 0.56 -1.06 0.02 0.00 -0.00 0.00 0.00 39.48 39.01 1a49 n PHE 3389CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1a49 h HIS 3390N 5.19 -0.60 -0.42 -5.13 3.86 -1.92 -1.90 115.15 114.23 1a49 h HIS 3390Ca 0.19 0.06 0.09 0.00 -1.16 0.00 0.00 60.37 59.55 1a49 h HIS 3390Cb 0.67 0.34 -0.09 0.00 1.06 0.00 0.00 27.41 29.39 1a49 h HIS 3390CO 0.87 -0.32 -0.19 -0.09 0.86 0.00 0.00 177.93 179.07 1a49 h ARG 3391N -0.12 -0.11 -0.37 2.45 1.12 -1.91 0.24 114.38 115.67 1a49 h ARG 3391Ca 0.23 0.01 -0.11 0.00 -1.11 0.00 0.00 59.98 59.00 1a49 h ARG 3391Cb 0.48 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.46 1a49 h ARG 3391CO -0.57 -0.07 -0.18 -0.22 -3.11 0.00 0.00 179.97 175.81 1a49 h LYS 3392N -0.11 0.78 -0.32 0.20 3.64 -1.88 -2.42 116.57 116.46 1a49 h LYS 3392Ca 0.20 -0.34 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1a49 h LYS 3392Cb 0.43 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1a49 h LYS 3392CO -0.49 0.96 0.19 1.25 -2.27 0.00 0.00 179.45 179.09 1a49 h LEU 3393N 0.58 0.39 -0.49 5.20 5.85 -0.77 0.22 115.31 126.28 1a49 h LEU 3393Ca 0.08 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1a49 h LEU 3393Cb 0.73 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1a49 h LEU 3393CO 0.05 0.33 0.29 0.15 -0.34 0.00 0.00 178.44 178.93 1a49 h PHE 3394N 0.41 0.66 -0.56 1.25 3.04 -0.54 0.69 116.94 121.90 1a49 h PHE 3394Ca 0.11 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.10 1a49 h PHE 3394Cb 0.02 -0.21 -0.04 0.00 2.56 0.00 0.00 35.95 38.27 1a49 h PHE 3394CO -0.04 0.46 0.31 0.93 -2.02 0.00 0.00 178.31 177.95 1a49 h GLU 3395N 0.66 0.58 -0.04 1.11 5.08 -1.14 0.36 114.58 121.19 1a49 h GLU 3395Ca 0.18 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.38 1a49 h GLU 3395Cb 0.00 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1a49 h GLU 3395CO -0.03 0.39 -0.55 0.93 -1.00 0.00 0.00 179.01 178.74 1a49 h GLU 3396N 0.60 0.12 -0.02 2.33 5.08 0.03 -2.46 114.58 120.27 1a49 h GLU 3396Ca 0.24 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1a49 h GLU 3396Cb 0.10 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1a49 h GLU 3396CO -0.14 0.64 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.42 1a49 h LEU 3397N 0.09 0.05 -1.44 1.33 3.38 0.16 -2.65 115.31 116.23 1a49 h LEU 3397Ca -0.00 -0.53 0.22 0.00 0.09 0.00 0.00 57.88 57.66 1a49 h LEU 3397Cb 1.00 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.66 1a49 h LEU 3397CO 0.08 0.57 0.63 0.00 0.09 0.00 0.00 178.44 179.81 1a49 h ALA 3398N 0.48 2.19 0.43 1.53 0.00 -0.28 -0.95 119.26 122.67 1a49 h ALA 3398Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1a49 h ALA 3398Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1a49 h ALA 3398CO 0.01 -0.52 -0.21 -0.09 0.00 0.00 0.00 179.25 178.44 1a49 h ARG 3399N 0.42 -0.56 -0.66 0.00 1.12 -1.29 -1.72 114.38 111.69 1a49 h ARG 3399Ca 0.52 0.04 0.14 0.00 -1.11 0.00 0.00 59.98 59.56 1a49 h ARG 3399Cb 1.27 0.13 -0.04 0.00 -0.01 0.00 0.00 29.97 31.32 1a49 h ARG 3399CO -0.22 -0.25 0.45 0.66 -3.11 0.00 0.00 179.97 177.49 1a49 h SER 3400N -0.85 0.29 0.11 -3.80 4.64 -0.90 -2.10 113.55 110.94 1a49 h SER 3400Ca -0.06 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1a49 h SER 3400Cb 0.56 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1a49 h SER 3400CO 0.10 0.16 -0.13 -1.54 -0.87 0.00 0.00 176.83 174.55 1a49 n SER 3401N -4.45 1.32 0.03 4.97 3.41 -0.47 -4.58 113.62 113.84 1a49 n SER 3401Ca 0.12 -1.22 0.19 0.00 -0.26 0.00 0.00 58.87 57.71 1a49 n SER 3401Cb 0.50 0.07 0.46 0.00 -0.26 0.00 0.00 64.21 64.99 1a49 n SER 3401CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1a49 h SER 3402N 1.86 0.00 1.60 4.04 4.64 -0.59 0.71 113.55 125.81 1a49 h SER 3402Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1a49 h SER 3402Cb 0.52 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1a49 h SER 3402CO 0.00 0.00 -0.04 0.45 -0.87 0.00 0.00 176.83 176.37 1a49 h HIS 3403N 0.00 0.00 -3.20 4.77 3.86 -1.84 -3.43 115.15 115.31 1a49 h HIS 3403Ca 0.27 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.89 1a49 h HIS 3403Cb 2.07 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 30.46 1a49 h HIS 3403CO 0.00 0.04 -0.22 0.45 0.86 0.00 0.00 177.93 179.06 1a49 s SER 3404N -6.05 6.65 -0.22 2.45 0.15 0.24 -4.94 113.70 111.98 1a49 s SER 3404Ca 0.05 0.78 0.14 0.00 0.70 0.00 0.00 55.95 57.61 1a49 s SER 3404Cb 0.07 -2.24 0.50 0.00 -1.71 0.00 0.00 66.02 62.63 1a49 s SER 3404CO 0.63 0.14 1.41 0.35 1.20 0.00 0.00 173.24 176.98 1a49 n THR 3405N 2.99 2.36 -1.69 6.45 -2.24 -1.26 -5.01 114.28 115.88 1a49 n THR 3405Ca -0.11 -2.27 -0.44 0.00 -2.27 0.00 0.00 64.05 58.96 1a49 n THR 3405Cb 0.52 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 1a49 n THR 3405CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1a49 n ASP 3406N -0.86 3.16 -0.10 3.42 2.03 -1.26 -4.87 116.55 118.07 1a49 n ASP 3406Ca 0.26 1.13 -0.02 0.00 0.52 0.00 0.00 54.79 56.68 1a49 n ASP 3406Cb 0.93 -1.48 0.22 0.00 -0.72 0.00 0.00 41.12 40.06 1a49 n ASP 3406CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1a49 h LEU 3407N 4.73 0.72 -0.14 -2.67 4.07 -1.98 -0.27 115.31 119.77 1a49 h LEU 3407Ca -0.45 -0.12 -0.21 0.00 0.08 0.00 0.00 57.88 57.17 1a49 h LEU 3407Cb 1.26 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 1a49 h LEU 3407CO 0.79 0.71 -0.98 -0.03 -1.08 0.00 0.00 178.44 177.86 1a49 h MET 3408N 0.74 0.14 -0.58 1.13 4.05 -1.93 -0.97 114.93 117.51 1a49 h MET 3408Ca 0.16 -0.19 -0.04 0.00 -0.28 0.00 0.00 59.70 59.36 1a49 h MET 3408Cb 0.29 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.13 1a49 h MET 3408CO -0.00 1.00 0.21 0.93 0.23 0.00 0.00 176.91 179.28 1a49 h GLU 3409N 0.06 0.89 -0.57 0.39 5.08 -1.86 0.18 114.58 118.76 1a49 h GLU 3409Ca -0.05 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1a49 h GLU 3409Cb 1.66 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.73 1a49 h GLU 3409CO 0.14 0.78 0.32 0.00 -1.00 0.00 0.00 179.01 179.25 1a49 h ALA 3410N 1.06 0.74 -0.70 3.43 0.00 -0.82 -1.62 119.26 121.35 1a49 h ALA 3410Ca 0.19 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1a49 h ALA 3410Cb 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1a49 h ALA 3410CO -0.01 0.00 0.17 0.52 0.00 0.00 0.00 179.25 179.93 1a49 h MET 3411N 0.61 1.12 0.65 0.00 2.86 -0.60 -2.11 114.93 117.47 1a49 h MET 3411Ca 0.24 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1a49 h MET 3411Cb 0.10 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 31.62 1a49 h MET 3411CO -0.14 0.99 -0.31 0.00 1.06 0.00 0.00 176.91 178.50 1a49 h ALA 3412N 1.11 -0.88 -0.52 6.32 0.00 0.01 -1.58 119.26 123.72 1a49 h ALA 3412Ca 0.22 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.03 1a49 h ALA 3412Cb 0.37 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 1a49 h ALA 3412CO 0.00 -0.93 -0.06 0.52 0.00 0.00 0.00 179.25 178.78 1a49 h MET 3413N -1.01 0.05 -0.75 0.00 2.86 -1.35 0.24 114.93 114.97 1a49 h MET 3413Ca -0.09 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1a49 h MET 3413Cb 0.71 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.32 1a49 h MET 3413CO 0.15 0.04 0.43 0.78 1.06 0.00 0.00 176.91 179.36 1a49 h GLY 3414N 0.06 1.10 0.98 8.32 0.00 -1.38 0.25 103.07 112.39 1a49 h GLY 3414Ca 0.26 -0.47 -0.20 0.00 0.00 0.00 0.00 47.33 46.92 1a49 h GLY 3414CO -0.49 0.45 -0.78 1.76 0.00 0.00 0.00 176.54 177.48 1a49 h SER 3415N 1.04 0.72 -0.07 0.19 0.02 -0.23 -1.53 113.55 113.69 1a49 h SER 3415Ca 0.27 -0.73 -0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1a49 h SER 3415Cb -0.00 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 1a49 h SER 3415CO -0.05 1.35 0.03 0.58 -1.14 0.00 0.00 176.83 177.61 1a49 h VAL 3416N 0.15 1.12 -0.41 2.27 2.07 -0.33 0.28 116.25 121.41 1a49 h VAL 3416Ca -0.09 -0.36 0.08 0.00 0.82 0.00 0.00 66.70 67.14 1a49 h VAL 3416Cb 1.46 1.24 -0.09 0.00 -1.52 0.00 0.00 31.29 32.37 1a49 h VAL 3416CO 0.15 0.10 -0.38 -0.08 0.02 0.00 0.00 177.57 177.39 1a49 h GLU 3417N -0.02 -0.28 -0.43 1.57 4.57 -1.00 0.34 114.58 119.33 1a49 h GLU 3417Ca 0.02 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.24 1a49 h GLU 3417Cb 0.14 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1a49 h GLU 3417CO -0.00 -0.19 0.29 0.00 -1.18 0.00 0.00 179.01 177.93 1a49 h ALA 3418N 0.60 1.76 -0.02 2.92 0.00 -0.92 0.56 119.26 124.16 1a49 h ALA 3418Ca 0.16 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1a49 h ALA 3418Cb 0.56 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1a49 h ALA 3418CO -0.56 0.20 -0.35 0.66 0.00 0.00 0.00 179.25 179.20 1a49 h SER 3419N 0.52 0.05 -0.07 0.00 4.64 0.33 -3.00 113.55 116.02 1a49 h SER 3419Ca 0.17 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.42 1a49 h SER 3419Cb 0.03 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1a49 h SER 3419CO -0.04 0.40 -0.14 1.88 -0.87 0.00 0.00 176.83 178.06 1a49 h TYR 3420N 0.04 0.28 0.19 4.77 0.05 0.15 -1.70 116.97 120.75 1a49 h TYR 3420Ca 0.00 -0.10 0.01 0.00 0.05 0.00 0.00 58.73 58.69 1a49 h TYR 3420Cb 0.65 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.30 1a49 h TYR 3420CO 0.00 0.74 -0.33 -0.22 -1.05 0.00 0.00 178.16 177.30 1a49 h LYS 3421N -0.25 -0.57 -0.40 4.88 1.63 -1.31 -2.45 116.57 118.09 1a49 h LYS 3421Ca 0.00 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1a49 h LYS 3421Cb 0.72 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 1a49 h LYS 3421CO 0.03 -0.38 0.00 0.00 -3.45 0.00 0.00 179.45 175.65 1a49 n LEU 3423N 0.57 -1.64 -4.63 0.00 4.77 -0.92 -4.84 117.00 110.31 1a49 n LEU 3423Ca 0.12 -1.10 -0.44 0.00 -0.03 0.00 0.00 56.01 54.56 1a49 n LEU 3423Cb 0.34 -1.97 -0.01 0.00 -2.33 0.00 0.00 43.42 39.45 1a49 n LEU 3423CO 0.09 0.38 0.73 0.00 -1.33 0.00 0.00 177.39 177.26 1a49 n ALA 3424N -4.42 0.37 0.29 -1.18 0.00 -0.66 -4.91 120.51 110.00 1a49 n ALA 3424Ca -0.19 0.39 0.18 0.00 0.00 0.00 0.00 53.44 53.81 1a49 n ALA 3424Cb 0.62 -2.12 0.84 0.00 0.00 0.00 0.00 19.45 18.79 1a49 n ALA 3424CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a49 h ALA 3425N 2.42 1.05 0.00 0.00 0.00 -0.71 -3.43 119.26 118.60 1a49 h ALA 3425Ca -0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1a49 h ALA 3425Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1a49 h ALA 3425CO 0.63 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.92 1a49 n ALA 3426N -2.13 0.00 -2.76 0.00 0.00 -1.26 -4.12 120.51 110.24 1a49 n ALA 3426Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.08 1a49 n ALA 3426Cb 0.23 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.59 1a49 n ALA 3426CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a49 s LEU 3427N 0.00 3.79 -0.18 0.00 1.02 0.15 -2.11 118.68 121.35 1a49 s LEU 3427Ca 0.00 0.20 -0.03 0.00 0.02 0.00 0.00 54.13 54.32 1a49 s LEU 3427Cb 0.00 -1.89 -0.02 0.00 0.02 0.00 0.00 46.19 44.30 1a49 s LEU 3427CO 0.00 0.35 -0.05 -0.63 0.02 0.00 0.00 176.35 176.04 1a49 s ILE 3428N -0.70 3.58 -0.14 -0.59 1.01 0.12 0.17 121.20 124.64 1a49 s ILE 3428Ca 0.12 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1a49 s ILE 3428Cb -0.12 -2.58 0.01 0.00 0.01 0.00 0.00 42.46 39.78 1a49 s ILE 3428CO 0.02 0.47 -0.20 -0.69 0.00 0.00 0.00 174.94 174.54 1a49 s VAL 3429N 0.78 1.95 -0.30 2.92 1.01 -0.33 0.52 120.40 126.95 1a49 s VAL 3429Ca -0.02 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 60.88 1a49 s VAL 3429Cb -0.15 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1a49 s VAL 3429CO 0.02 0.53 0.51 -0.76 0.00 0.00 0.00 175.10 175.39 1a49 s LEU 3430N 0.93 4.15 0.02 3.92 1.02 -0.68 -1.32 118.68 126.73 1a49 s LEU 3430Ca -0.05 0.30 0.00 0.00 0.02 0.00 0.00 54.13 54.40 1a49 s LEU 3430Cb -0.15 -2.62 -0.02 0.00 0.02 0.00 0.00 46.19 43.42 1a49 s LEU 3430CO -0.04 -0.36 -0.03 0.28 0.02 0.00 0.00 176.35 176.23 1a49 s THR 3431N 2.34 0.12 -0.12 5.49 -1.32 0.71 -4.83 115.64 118.03 1a49 s THR 3431Ca 0.20 -0.86 -0.09 0.00 -1.21 0.00 0.00 61.69 59.73 1a49 s THR 3431Cb -0.15 -0.26 -0.06 0.00 -1.51 0.00 0.00 72.50 70.52 1a49 s THR 3431CO 0.11 -0.46 -0.20 -0.62 -2.21 0.00 0.00 174.62 171.23 1a49 n GLU 3432N 1.69 0.32 0.10 7.08 -0.58 -1.26 -3.75 120.64 124.24 1a49 n GLU 3432Ca -0.23 0.14 0.13 0.00 -0.42 0.00 0.00 57.16 56.77 1a49 n GLU 3432Cb 0.55 -1.05 0.44 0.00 -0.57 0.00 0.00 31.44 30.81 1a49 n GLU 3432CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1a49 n SER 3433N -3.83 0.71 0.00 1.62 3.41 -1.26 -4.62 113.62 109.64 1a49 n SER 3433Ca -0.23 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1a49 n SER 3433Cb 0.57 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1a49 n SER 3433CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a49 n GLY 3434N 1.01 2.89 0.38 5.00 0.00 -1.26 -4.90 105.19 108.30 1a49 n GLY 3434Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 1a49 n GLY 3434CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1a49 h ARG 3435N 1.91 1.28 -0.24 1.61 2.43 -1.96 -1.61 114.38 117.80 1a49 h ARG 3435Ca 0.00 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1a49 h ARG 3435Cb 0.00 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.25 1a49 h ARG 3435CO 0.00 0.85 -0.10 0.77 -1.51 0.00 0.00 179.97 179.97 1a49 h SER 3436N 1.32 0.37 -0.23 -3.80 0.02 -1.93 -2.32 113.55 106.98 1a49 h SER 3436Ca 0.36 -0.08 -0.15 0.00 -0.84 0.00 0.00 61.79 61.07 1a49 h SER 3436Cb -0.15 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.29 1a49 h SER 3436CO -0.08 0.52 -0.45 0.00 -1.14 0.00 0.00 176.83 175.68 1a49 h ALA 3437N 1.53 0.36 -0.93 3.77 0.00 -1.79 -2.99 119.26 119.21 1a49 h ALA 3437Ca 0.07 -0.47 0.07 0.00 0.00 0.00 0.00 54.91 54.58 1a49 h ALA 3437Cb 0.41 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1a49 h ALA 3437CO 0.02 0.50 0.59 0.45 0.00 0.00 0.00 179.25 180.81 1a49 h HIS 3438N 0.42 1.08 0.00 0.00 -0.00 -1.04 0.16 115.15 115.78 1a49 h HIS 3438Ca 0.01 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.36 1a49 h HIS 3438Cb 1.06 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 28.11 1a49 h HIS 3438CO 0.08 0.54 -0.21 1.96 -0.00 0.00 0.00 177.93 180.30 1a49 h GLN 3439N 1.05 0.00 0.05 2.45 1.08 -1.33 -0.85 115.11 117.56 1a49 h GLN 3439Ca 0.41 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.33 1a49 h GLN 3439Cb 0.20 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.66 1a49 h GLN 3439CO -0.18 0.21 -1.11 0.28 -0.95 0.00 0.00 178.83 177.08 1a49 h VAL 3440N 0.00 1.29 -0.27 -0.54 2.07 -0.65 -3.17 116.25 114.98 1a49 h VAL 3440Ca -0.00 -2.33 -0.07 0.00 0.82 0.00 0.00 66.70 65.12 1a49 h VAL 3440Cb 0.42 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 1a49 h VAL 3440CO 0.03 0.71 -0.13 0.00 0.02 0.00 0.00 177.57 178.20 1a49 h ALA 3441N 0.34 1.28 0.00 1.67 0.00 -0.48 -2.00 119.26 120.07 1a49 h ALA 3441Ca -0.15 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1a49 h ALA 3441Cb 1.78 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1a49 h ALA 3441CO 0.22 0.48 0.00 0.07 0.00 0.00 0.00 179.25 180.01 1a49 h ARG 3442N 0.42 0.00 -0.02 0.00 0.11 -1.13 -1.68 114.38 112.07 1a49 h ARG 3442Ca 0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.16 1a49 h ARG 3442Cb 0.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.56 1a49 h ARG 3442CO 0.03 0.00 -0.06 0.66 0.10 0.00 0.00 179.97 180.70 1a49 n TYR 3443N -2.31 0.00 -3.26 4.08 4.01 -0.75 -4.98 117.16 113.94 1a49 n TYR 3443Ca 0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.60 1a49 n TYR 3443Cb 0.20 -0.01 0.07 0.00 -0.31 0.00 0.00 39.34 39.28 1a49 n TYR 3443CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1a49 n ARG 3444N 0.70 -2.17 -0.56 -0.72 5.12 -0.63 -4.73 116.66 113.66 1a49 n ARG 3444Ca 0.15 0.89 -0.28 0.00 -1.93 0.00 0.00 57.85 56.67 1a49 n ARG 3444Cb 0.49 -5.77 0.25 0.00 -1.16 0.00 0.00 32.46 26.27 1a49 n ARG 3444CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1a49 s PRO 3445N -4.38 -0.90 -0.13 5.56 0.04 -1.26 -4.94 135.00 128.99 1a49 s PRO 3445Ca 0.44 0.84 0.15 0.00 0.04 0.00 0.00 61.00 62.47 1a49 s PRO 3445Cb -0.06 -1.56 -0.24 0.00 0.04 0.00 0.00 34.50 32.68 1a49 s PRO 3445CO 0.75 -3.71 0.33 -2.13 0.04 0.00 0.00 177.00 172.27 1a49 n ARG 3446N -4.91 0.66 -2.37 4.56 0.63 -1.26 -4.93 116.66 109.04 1a49 n ARG 3446Ca 0.03 0.13 -0.34 0.00 -0.92 0.00 0.00 57.85 56.76 1a49 n ARG 3446Cb 0.54 -1.64 -0.02 0.00 0.45 0.00 0.00 32.46 31.79 1a49 n ARG 3446CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1a49 s ALA 3447N -2.54 2.83 0.35 5.13 0.00 -1.26 -5.01 121.76 121.26 1a49 s ALA 3447Ca -0.08 0.53 -0.26 0.00 0.00 0.00 0.00 51.96 52.15 1a49 s ALA 3447Cb 0.07 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 1a49 s ALA 3447CO 0.82 -0.48 1.08 -1.25 0.00 0.00 0.00 175.76 175.93 1a49 s PRO 3448N -3.53 4.34 -0.38 0.00 0.04 -1.26 -4.63 135.00 129.58 1a49 s PRO 3448Ca 0.66 1.66 -0.18 0.00 0.04 0.00 0.00 61.00 63.19 1a49 s PRO 3448Cb -0.16 -2.81 0.01 0.00 0.04 0.00 0.00 34.50 31.57 1a49 s PRO 3448CO 0.26 -0.02 0.48 0.42 0.04 0.00 0.00 177.00 178.18 1a49 s ILE 3449N -1.43 5.03 -0.42 0.56 1.01 -0.59 -0.68 121.20 124.69 1a49 s ILE 3449Ca 0.52 0.04 -0.16 0.00 0.00 0.00 0.00 60.65 61.06 1a49 s ILE 3449Cb -0.27 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.22 1a49 s ILE 3449CO 0.34 -0.32 0.36 -0.63 0.00 0.00 0.00 174.94 174.70 1a49 s ILE 3450N 2.32 5.18 -0.19 2.92 1.01 0.13 -0.36 121.20 132.20 1a49 s ILE 3450Ca 0.16 -0.53 -0.09 0.00 0.00 0.00 0.00 60.65 60.19 1a49 s ILE 3450Cb -0.16 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 1a49 s ILE 3450CO 0.14 -0.37 0.10 0.00 0.00 0.00 0.00 174.94 174.81 1a49 s ALA 3451N 1.88 3.56 -0.19 9.38 0.00 -0.82 -1.18 121.76 134.38 1a49 s ALA 3451Ca 0.08 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.28 1a49 s ALA 3451Cb -0.18 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.86 1a49 s ALA 3451CO 0.11 0.16 -0.04 0.08 0.00 0.00 0.00 175.76 176.08 1a49 s VAL 3452N 0.38 3.62 -0.01 0.00 1.01 -0.43 0.14 120.40 125.11 1a49 s VAL 3452Ca 0.06 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 1a49 s VAL 3452Cb -0.12 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1a49 s VAL 3452CO -0.01 0.44 0.13 0.28 0.00 0.00 0.00 175.10 175.95 1a49 s THR 3453N 1.03 0.07 -1.78 3.92 -1.32 -0.80 -0.21 115.64 116.56 1a49 s THR 3453Ca 0.01 -0.59 0.25 0.00 -1.21 0.00 0.00 61.69 60.15 1a49 s THR 3453Cb -0.15 -0.39 0.16 0.00 -1.51 0.00 0.00 72.50 70.62 1a49 s THR 3453CO 0.01 -0.32 1.40 0.54 -2.21 0.00 0.00 174.62 174.03 1a49 n ARG 3454N 1.71 0.88 -3.17 7.08 1.74 -1.26 -0.95 116.66 122.69 1a49 n ARG 3454Ca -0.21 -0.60 -0.43 0.00 -0.77 0.00 0.00 57.85 55.84 1a49 n ARG 3454Cb 0.56 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.44 1a49 n ARG 3454CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1a49 s ASN 3455N -2.54 6.29 0.39 0.55 3.84 -1.26 -4.86 114.94 117.34 1a49 s ASN 3455Ca 0.21 -0.43 0.07 0.00 0.21 0.00 0.00 52.86 52.92 1a49 s ASN 3455Cb 0.19 -2.29 0.78 0.00 -0.55 0.00 0.00 41.25 39.37 1a49 s ASN 3455CO 0.56 -0.71 1.99 0.45 -2.79 0.00 0.00 177.10 176.59 1a49 h HIS 3456N 8.82 0.49 0.07 0.43 3.86 -1.94 -1.89 115.15 124.99 1a49 h HIS 3456Ca -0.26 -0.01 -0.24 0.00 -1.16 0.00 0.00 60.37 58.70 1a49 h HIS 3456Cb 1.10 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 29.41 1a49 h HIS 3456CO 0.70 0.39 -1.10 0.37 0.86 0.00 0.00 177.93 179.14 1a49 h GLN 3457N 0.50 0.23 -0.81 2.45 4.15 -1.96 -2.11 115.11 117.56 1a49 h GLN 3457Ca 0.12 -0.35 -0.01 0.00 0.77 0.00 0.00 58.65 59.19 1a49 h GLN 3457Cb 0.10 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.87 1a49 h GLN 3457CO -0.01 1.12 0.48 1.15 -1.93 0.00 0.00 178.83 179.64 1a49 h THR 3458N 0.09 1.23 -0.43 2.39 2.02 -1.73 0.87 112.91 117.33 1a49 h THR 3458Ca -0.09 -0.51 -0.09 0.00 0.77 0.00 0.00 66.41 66.49 1a49 h THR 3458Cb 1.81 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1a49 h THR 3458CO 0.18 0.24 -0.09 0.00 0.37 0.00 0.00 175.52 176.22 1a49 h ALA 3459N 1.41 0.59 -0.47 6.16 0.00 -1.28 -0.54 119.26 125.13 1a49 h ALA 3459Ca 0.29 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1a49 h ALA 3459Cb -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1a49 h ALA 3459CO -0.05 0.46 -0.20 0.00 0.00 0.00 0.00 179.25 179.46 1a49 h ARG 3460N 0.65 0.97 -0.66 0.00 3.08 -0.80 -3.23 114.38 114.39 1a49 h ARG 3460Ca 0.11 -0.41 -0.07 0.00 0.07 0.00 0.00 59.98 59.68 1a49 h ARG 3460Cb 0.61 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 1a49 h ARG 3460CO 0.04 1.08 0.14 1.96 -1.07 0.00 0.00 179.97 182.12 1a49 h GLN 3461N 0.81 1.06 -0.71 0.04 4.20 -0.69 -3.08 115.11 116.74 1a49 h GLN 3461Ca 0.11 -0.26 0.21 0.00 0.06 0.00 0.00 58.65 58.77 1a49 h GLN 3461Cb 0.78 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 1a49 h GLN 3461CO 0.06 0.95 0.73 0.00 -0.67 0.00 0.00 178.83 179.90 1a49 h ALA 3462N 1.14 2.52 0.00 3.87 0.00 -1.11 0.11 119.26 125.79 1a49 h ALA 3462Ca 0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1a49 h ALA 3462Cb 0.38 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1a49 h ALA 3462CO 0.01 -1.10 -0.00 0.45 0.00 0.00 0.00 179.25 178.61 1a49 h HIS 3463N 0.00 0.00 0.00 0.00 3.86 -1.71 -0.27 115.15 117.03 1a49 h HIS 3463Ca 0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 1a49 h HIS 3463Cb 1.80 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.27 1a49 h HIS 3463CO 0.00 0.00 0.00 1.25 0.86 0.00 0.00 177.93 180.04 1a49 h LEU 3464N 0.00 0.00 -9.46 2.43 5.85 -1.01 -3.40 115.31 109.72 1a49 h LEU 3464Ca -0.00 0.00 -0.66 0.00 0.84 0.00 0.00 57.88 58.06 1a49 h LEU 3464Cb 0.01 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 40.93 1a49 h LEU 3464CO 0.00 0.00 -0.52 -0.31 -0.34 0.00 0.00 178.44 177.27 1a49 s TYR 3465N -3.74 3.45 -0.01 1.25 1.51 -0.11 -4.57 117.35 115.12 1a49 s TYR 3465Ca -0.00 0.38 -0.34 0.00 -1.01 0.00 0.00 57.07 56.10 1a49 s TYR 3465Cb 0.10 -1.95 -0.13 0.00 -0.11 0.00 0.00 41.96 39.88 1a49 s TYR 3465CO 0.47 0.57 1.77 -2.13 -1.11 0.00 0.00 175.55 175.12 1a49 n ARG 3466N 2.36 2.14 -1.89 -0.62 3.00 -1.26 -2.96 116.66 117.42 1a49 n ARG 3466Ca -0.19 0.78 -0.09 0.00 -0.00 0.00 0.00 57.85 58.35 1a49 n ARG 3466Cb 0.54 -2.60 -0.02 0.00 0.00 0.00 0.00 32.46 30.39 1a49 n ARG 3466CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a49 n GLY 3467N 4.05 0.33 3.65 5.14 0.00 0.33 -4.71 105.19 113.98 1a49 n GLY 3467Ca 0.21 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 1a49 n GLY 3467CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a49 s ILE 3468N -2.43 4.90 -0.53 -0.61 1.01 -1.16 -1.54 121.20 120.84 1a49 s ILE 3468Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 60.65 60.58 1a49 s ILE 3468Cb 0.00 -3.21 0.14 0.00 0.01 0.00 0.00 42.46 39.39 1a49 s ILE 3468CO 0.00 0.45 0.39 -0.36 0.00 0.00 0.00 174.94 175.42 1a49 s PHE 3469N 0.40 3.49 0.25 3.97 0.40 0.51 -4.62 117.98 122.38 1a49 s PHE 3469Ca 0.04 -2.16 -0.30 0.00 -0.60 0.00 0.00 56.93 53.90 1a49 s PHE 3469Cb -0.12 -3.42 -0.10 0.00 0.51 0.00 0.00 43.02 39.88 1a49 s PHE 3469CO -0.00 -0.96 1.50 -1.25 0.70 0.00 0.00 175.22 175.21 1a49 s PRO 3470N 0.88 4.22 -0.08 0.24 0.04 -1.26 -1.95 135.00 137.09 1a49 s PRO 3470Ca 0.10 2.39 -0.01 0.00 0.04 0.00 0.00 61.00 63.52 1a49 s PRO 3470Cb -0.23 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 31.25 1a49 s PRO 3470CO -0.03 -0.50 -0.02 0.08 0.04 0.00 0.00 177.00 176.58 1a49 s VAL 3471N 0.10 0.51 -0.22 -0.36 1.01 0.12 -4.66 120.40 116.90 1a49 s VAL 3471Ca 0.61 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 62.43 1a49 s VAL 3471Cb -0.44 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1a49 s VAL 3471CO 0.43 0.28 0.57 -0.69 0.00 0.00 0.00 175.10 175.69 1a49 s VAL 3472N 1.84 5.05 0.05 2.92 1.01 -1.26 -1.91 120.40 128.11 1a49 s VAL 3472Ca 0.04 1.03 -0.24 0.00 0.00 0.00 0.00 61.98 62.81 1a49 s VAL 3472Cb -0.12 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 1a49 s VAL 3472CO -0.05 0.12 0.71 0.00 0.00 0.00 0.00 175.10 175.88 1a49 n LYS 3474N 2.58 1.84 -3.27 0.00 5.02 -1.26 -4.56 118.16 118.51 1a49 n LYS 3474Ca -0.04 -1.31 -0.23 0.00 -2.02 0.00 0.00 58.31 54.71 1a49 n LYS 3474Cb 0.50 -0.89 -0.00 0.00 -0.02 0.00 0.00 35.03 34.62 1a49 n LYS 3474CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a49 s ASP 3475N -0.92 6.09 0.46 4.39 1.01 -1.26 -5.07 116.67 121.37 1a49 s ASP 3475Ca 0.03 0.30 -0.22 0.00 0.71 0.00 0.00 52.55 53.37 1a49 s ASP 3475Cb 0.03 -1.75 -0.08 0.00 1.01 0.00 0.00 42.92 42.13 1a49 s ASP 3475CO 0.00 -0.45 1.08 -2.16 0.21 0.00 0.00 175.17 173.85 1a49 s PRO 3476N -4.37 3.86 0.29 8.23 0.04 -1.26 -4.97 135.00 136.83 1a49 s PRO 3476Ca 0.43 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 1a49 s PRO 3476Cb -0.10 -2.30 -0.12 0.00 0.04 0.00 0.00 34.50 32.02 1a49 s PRO 3476CO 0.36 -0.41 1.46 0.28 0.04 0.00 0.00 177.00 178.73 1a49 n VAL 3477N -0.60 1.30 -2.78 -0.36 0.31 -1.26 -4.97 118.33 109.97 1a49 n VAL 3477Ca 0.08 -0.33 -0.32 0.00 -0.01 0.00 0.00 64.34 63.76 1a49 n VAL 3477Cb 0.50 -1.72 -0.05 0.00 -0.91 0.00 0.00 33.84 31.66 1a49 n VAL 3477CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1a49 s GLN 3478N -0.93 3.99 0.25 5.55 -1.52 -1.26 -4.98 119.66 120.76 1a49 s GLN 3478Ca 0.62 0.81 -0.04 0.00 -1.95 0.00 0.00 55.36 54.81 1a49 s GLN 3478Cb -0.56 -2.28 0.46 0.00 -0.22 0.00 0.00 33.01 30.41 1a49 s GLN 3478CO 0.53 -0.06 1.75 1.05 -0.25 0.00 0.00 175.29 178.31 1a49 h GLU 3479N 1.55 0.50 -5.21 2.91 4.11 -1.98 -3.39 114.58 113.07 1a49 h GLU 3479Ca -0.48 -0.03 -0.63 0.00 0.07 0.00 0.00 59.36 58.29 1a49 h GLU 3479Cb 1.18 -0.11 -0.19 0.00 0.50 0.00 0.00 28.75 30.13 1a49 h GLU 3479CO 0.63 0.33 -0.61 0.00 0.07 0.00 0.00 179.01 179.43 1a49 s ALA 3480N -6.01 3.23 0.25 1.06 0.00 -1.26 -4.99 121.76 114.03 1a49 s ALA 3480Ca -0.12 -0.86 -0.06 0.00 0.00 0.00 0.00 51.96 50.91 1a49 s ALA 3480Cb 0.20 -1.85 0.46 0.00 0.00 0.00 0.00 23.12 21.93 1a49 s ALA 3480CO 0.77 0.03 1.63 2.35 0.00 0.00 0.00 175.76 180.53 1a49 h TRP 3481N 7.06 -0.07 -0.44 0.00 2.91 -2.00 -0.18 115.95 123.24 1a49 h TRP 3481Ca -0.35 0.06 0.09 0.00 1.13 0.00 0.00 58.89 59.81 1a49 h TRP 3481Cb 1.18 0.15 -0.10 0.00 -0.51 0.00 0.00 29.16 29.88 1a49 h TRP 3481CO 0.58 -0.26 -0.27 0.00 -1.03 0.00 0.00 178.44 177.45 1a49 h ALA 3482N 1.74 -0.02 -0.16 2.65 0.00 -1.94 0.41 119.26 121.94 1a49 h ALA 3482Ca 0.43 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.46 1a49 h ALA 3482Cb 0.76 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1a49 h ALA 3482CO -0.70 -0.64 0.05 0.93 0.00 0.00 0.00 179.25 178.89 1a49 h GLU 3483N -0.18 0.24 -0.81 0.00 3.07 -1.53 -1.12 114.58 114.26 1a49 h GLU 3483Ca 0.20 -0.05 0.07 0.00 -0.50 0.00 0.00 59.36 59.08 1a49 h GLU 3483Cb 0.50 -0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.32 1a49 h GLU 3483CO -0.55 0.36 0.48 0.22 -1.40 0.00 0.00 179.01 178.12 1a49 h ASP 3484N 0.08 0.73 -0.28 1.42 3.58 0.29 0.18 116.42 122.42 1a49 h ASP 3484Ca 0.05 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1a49 h ASP 3484Cb 0.21 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1a49 h ASP 3484CO -0.00 0.45 0.17 0.58 -2.88 0.00 0.00 179.24 177.57 1a49 h VAL 3485N 0.86 1.09 -0.88 2.25 2.07 -0.02 -1.96 116.25 119.66 1a49 h VAL 3485Ca 0.36 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.71 1a49 h VAL 3485Cb 0.23 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1a49 h VAL 3485CO -0.20 0.09 0.58 0.44 0.02 0.00 0.00 177.57 178.50 1a49 h ASP 3486N 0.36 0.98 -0.55 0.57 3.32 -0.02 0.83 116.42 121.91 1a49 h ASP 3486Ca 0.10 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.17 1a49 h ASP 3486Cb -0.01 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 1a49 h ASP 3486CO -0.02 0.70 0.30 0.25 -1.72 0.00 0.00 179.24 178.75 1a49 h LEU 3487N 1.15 0.46 -0.07 1.55 6.46 -0.11 -1.90 115.31 122.85 1a49 h LEU 3487Ca 0.33 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 58.08 1a49 h LEU 3487Cb -0.07 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 39.79 1a49 h LEU 3487CO -0.08 0.31 -0.08 0.03 -0.62 0.00 0.00 178.44 178.00 1a49 h ARG 3488N 0.58 0.18 -0.65 1.25 3.08 -0.18 -1.02 114.38 117.63 1a49 h ARG 3488Ca 0.24 -0.10 0.13 0.00 0.07 0.00 0.00 59.98 60.32 1a49 h ARG 3488Cb 0.11 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.07 1a49 h ARG 3488CO -0.14 0.63 0.14 0.28 -1.07 0.00 0.00 179.97 179.81 1a49 h VAL 3489N -0.26 0.60 -0.45 2.04 2.07 -1.03 0.42 116.25 119.63 1a49 h VAL 3489Ca 0.01 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1a49 h VAL 3489Cb 0.61 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1a49 h VAL 3489CO 0.02 0.05 0.29 0.78 0.02 0.00 0.00 177.57 178.73 1a49 h ASN 3490N 0.26 0.51 -0.67 0.57 2.35 -1.27 0.39 115.58 117.72 1a49 h ASN 3490Ca 0.35 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 56.09 1a49 h ASN 3490Cb 0.54 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 1a49 h ASN 3490CO -0.44 0.37 0.44 0.25 -1.65 0.00 0.00 177.43 176.41 1a49 h LEU 3491N 0.61 0.77 -0.56 1.61 5.85 0.12 0.50 115.31 124.20 1a49 h LEU 3491Ca 0.16 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 1a49 h LEU 3491Cb -0.07 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1a49 h LEU 3491CO -0.04 0.56 -0.03 0.00 -0.34 0.00 0.00 178.44 178.59 1a49 h ALA 3492N 1.25 0.76 -0.57 1.25 0.00 0.80 -2.51 119.26 120.23 1a49 h ALA 3492Ca 0.25 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1a49 h ALA 3492Cb -0.10 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.42 1a49 h ALA 3492CO -0.05 0.62 0.26 0.52 0.00 0.00 0.00 179.25 180.59 1a49 h MET 3493N 0.90 0.47 0.00 0.00 2.86 0.13 -1.83 114.93 117.46 1a49 h MET 3493Ca 0.16 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 1a49 h MET 3493Cb 0.58 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1a49 h MET 3493CO 0.03 0.31 -0.17 -0.91 1.06 0.00 0.00 176.91 177.24 1a49 h ASN 3494N 0.48 0.00 0.10 1.22 -0.26 -0.50 -2.70 115.58 113.92 1a49 h ASN 3494Ca 0.27 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.76 1a49 h ASN 3494Cb 0.25 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 1a49 h ASN 3494CO -0.23 0.17 -1.30 0.58 -1.06 0.00 0.00 177.43 175.59 1a49 h VAL 3495N 0.00 1.08 -0.29 2.81 2.07 -1.01 -2.79 116.25 118.12 1a49 h VAL 3495Ca -0.00 -2.38 -0.04 0.00 0.82 0.00 0.00 66.70 65.10 1a49 h VAL 3495Cb 0.43 2.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 1a49 h VAL 3495CO 0.02 0.66 -0.01 1.23 0.02 0.00 0.00 177.57 179.50 1a49 h GLY 3496N -0.10 0.48 0.92 2.17 0.00 -1.38 0.75 103.07 105.91 1a49 h GLY 3496Ca -0.29 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 1a49 h GLY 3496CO 0.03 0.25 -0.42 0.50 0.00 0.00 0.00 176.54 176.91 1a49 h LYS 3497N 0.43 -1.12 -0.70 4.80 1.57 -1.60 1.83 116.57 121.78 1a49 h LYS 3497Ca 0.09 0.08 0.06 0.00 -1.87 0.00 0.00 60.65 59.01 1a49 h LYS 3497Cb 0.30 0.26 -0.08 0.00 0.08 0.00 0.00 32.23 32.78 1a49 h LYS 3497CO 0.01 -0.74 -0.41 0.00 -0.57 0.00 0.00 179.45 177.73 1a49 n ALA 3498N -2.66 -0.45 1.32 3.86 0.00 -0.87 0.14 120.51 121.85 1a49 n ALA 3498Ca -0.15 0.60 0.11 0.00 0.00 0.00 0.00 53.44 54.00 1a49 n ALA 3498Cb 0.46 0.01 0.64 0.00 0.00 0.00 0.00 19.45 20.57 1a49 n ALA 3498CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1a49 n ARG 3499N -4.62 0.59 -1.67 0.00 1.74 0.25 -4.86 116.66 108.09 1a49 n ARG 3499Ca 0.01 0.02 -0.03 0.00 -0.77 0.00 0.00 57.85 57.09 1a49 n ARG 3499Cb 0.18 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.12 1a49 n ARG 3499CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a49 n GLY 3500N 0.48 0.39 0.16 -0.13 0.00 0.38 -4.92 105.19 101.55 1a49 n GLY 3500Ca 0.15 -0.84 0.04 0.00 0.00 0.00 0.00 46.02 45.37 1a49 n GLY 3500CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1a49 h PHE 3501N 0.00 0.00 -2.72 1.61 0.04 0.25 -3.45 116.94 112.67 1a49 h PHE 3501Ca -0.06 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.78 1a49 h PHE 3501Cb 0.71 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.76 1a49 h PHE 3501CO 0.08 0.46 0.33 -0.59 -0.60 0.00 0.00 178.31 177.98 1a49 s PHE 3502N -3.28 -0.32 0.25 -0.55 -0.12 -1.06 -4.86 117.98 108.03 1a49 s PHE 3502Ca 0.02 0.04 0.10 0.00 -0.05 0.00 0.00 56.93 57.04 1a49 s PHE 3502Cb 0.09 0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 43.05 1a49 s PHE 3502CO 0.72 -0.89 -0.06 0.15 -0.05 0.00 0.00 175.22 175.09 1a49 s LYS 3503N -3.58 2.14 0.48 1.99 1.02 -1.26 -4.10 119.74 116.43 1a49 s LYS 3503Ca 0.07 -1.44 -0.24 0.00 0.02 0.00 0.00 55.97 54.37 1a49 s LYS 3503Cb -0.02 -2.09 -0.07 0.00 -0.52 0.00 0.00 37.83 35.12 1a49 s LYS 3503CO -0.04 0.38 1.42 0.15 -0.92 0.00 0.00 175.35 176.34 1a49 s LYS 3504N -3.45 3.49 0.00 1.68 1.02 -1.26 -2.37 119.74 118.85 1a49 s LYS 3504Ca 0.30 2.39 0.00 0.00 0.02 0.00 0.00 55.97 58.68 1a49 s LYS 3504Cb -0.07 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.72 1a49 s LYS 3504CO 0.18 -0.96 0.00 0.41 -0.92 0.00 0.00 175.35 174.06 1a49 n GLY 3505N 0.62 2.87 2.81 -3.33 0.00 0.62 -4.90 105.19 103.88 1a49 n GLY 3505Ca 0.07 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 1a49 n GLY 3505CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a49 n ASP 3506N 2.13 -4.12 -4.52 1.61 9.92 -1.00 -3.85 116.55 116.72 1a49 n ASP 3506Ca 0.00 0.08 -0.33 0.00 -0.53 0.00 0.00 54.79 54.01 1a49 n ASP 3506Cb 0.00 -0.58 -0.12 0.00 -0.64 0.00 0.00 41.12 39.78 1a49 n ASP 3506CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1a49 s VAL 3507N -1.87 3.28 0.07 2.53 1.01 -1.26 0.10 120.40 124.26 1a49 s VAL 3507Ca 0.35 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1a49 s VAL 3507Cb -0.02 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1a49 s VAL 3507CO 0.69 0.54 -0.12 0.68 0.00 0.00 0.00 175.10 176.88 1a49 s VAL 3508N -0.81 0.98 -0.18 2.92 -7.23 0.33 0.04 120.40 116.46 1a49 s VAL 3508Ca 0.13 -1.30 -0.19 0.00 -1.81 0.00 0.00 61.98 58.81 1a49 s VAL 3508Cb -0.11 -1.02 -0.03 0.00 0.56 0.00 0.00 36.38 35.78 1a49 s VAL 3508CO 0.02 -0.29 0.53 -0.63 -0.31 0.00 0.00 175.10 174.42 1a49 s ILE 3509N -1.43 5.10 -0.18 -0.62 -1.09 -0.90 0.42 121.20 122.50 1a49 s ILE 3509Ca -0.03 1.00 -0.01 0.00 -2.23 0.00 0.00 60.65 59.38 1a49 s ILE 3509Cb -0.09 -3.86 -0.00 0.00 -1.58 0.00 0.00 42.46 36.93 1a49 s ILE 3509CO 0.02 0.19 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.11 1a49 s VAL 3510N 1.51 2.89 -0.22 2.92 1.01 0.23 0.11 120.40 128.85 1a49 s VAL 3510Ca 0.25 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 1a49 s VAL 3510Cb -0.15 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 1a49 s VAL 3510CO 0.10 0.49 -0.01 -0.76 0.00 0.00 0.00 175.10 174.91 1a49 s LEU 3511N 1.09 3.05 0.27 3.92 1.43 0.18 -0.42 118.68 128.20 1a49 s LEU 3511Ca 0.00 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.73 1a49 s LEU 3511Cb -0.14 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1a49 s LEU 3511CO -0.03 -0.01 0.36 0.42 0.23 0.00 0.00 176.35 177.32 1a49 s THR 3512N 1.43 0.00 -0.09 5.49 -4.23 -0.86 -1.68 115.64 115.69 1a49 s THR 3512Ca 0.05 -1.69 -0.16 0.00 -1.18 0.00 0.00 61.69 58.72 1a49 s THR 3512Cb -0.14 -2.45 -0.05 0.00 1.34 0.00 0.00 72.50 71.20 1a49 s THR 3512CO -0.01 0.00 0.40 -0.83 -0.54 0.00 0.00 174.62 173.64 1a49 s GLY 3513N -3.16 2.37 0.21 3.99 0.00 -1.26 -0.98 107.32 108.49 1a49 s GLY 3513Ca 0.31 -0.28 -0.09 0.00 0.00 0.00 0.00 44.72 44.66 1a49 s GLY 3513CO 0.15 0.46 1.83 -0.25 0.00 0.00 0.00 173.10 175.29 1a49 h TRP 3514N 6.03 0.76 -3.19 1.90 -0.00 -1.90 -3.45 115.95 116.10 1a49 h TRP 3514Ca -0.45 0.02 -0.41 0.00 -0.00 0.00 0.00 58.89 58.05 1a49 h TRP 3514Cb 1.19 -0.24 -0.14 0.00 -0.00 0.00 0.00 29.16 29.97 1a49 h TRP 3514CO 0.65 0.40 -0.63 1.03 -0.00 0.00 0.00 178.44 179.88 1a49 s ARG 3515N -6.10 1.48 0.51 2.65 0.52 -1.26 -5.00 118.95 111.75 1a49 s ARG 3515Ca -0.13 -1.79 0.31 0.00 -0.52 0.00 0.00 55.73 53.60 1a49 s ARG 3515Cb 0.16 -0.67 1.42 0.00 0.52 0.00 0.00 34.95 36.38 1a49 s ARG 3515CO 0.76 -0.16 1.83 -1.35 0.02 0.00 0.00 175.30 176.41 1a49 h PRO 3516N 2.31 0.09 -0.16 3.54 0.11 -1.97 -1.82 132.00 134.09 1a49 h PRO 3516Ca -0.39 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.64 1a49 h PRO 3516Cb 1.24 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1a49 h PRO 3516CO 0.66 0.06 -0.23 0.41 -0.21 0.00 0.00 178.00 178.69 1a49 n GLY 3517N -1.68 4.93 0.37 -0.55 0.00 -1.26 -4.78 105.19 102.22 1a49 n GLY 3517Ca 0.23 -1.23 0.17 0.00 0.00 0.00 0.00 46.02 45.18 1a49 n GLY 3517CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a49 h SER 3518N 0.94 0.00 0.00 1.61 0.02 -1.70 -3.45 113.55 110.97 1a49 h SER 3518Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1a49 h SER 3518Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1a49 h SER 3518CO 0.18 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.48 1a49 n GLY 3519N -1.39 2.23 3.54 -3.77 0.00 -1.26 -4.87 105.19 99.66 1a49 n GLY 3519Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 1a49 n GLY 3519CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a49 s PHE 3520N -1.39 -0.32 -0.54 1.61 -0.71 -1.26 -5.04 117.98 110.33 1a49 s PHE 3520Ca 0.00 0.31 -0.27 0.00 -1.04 0.00 0.00 56.93 55.93 1a49 s PHE 3520Cb 0.00 0.51 -0.02 0.00 -1.21 0.00 0.00 43.02 42.30 1a49 s PHE 3520CO 0.00 -0.43 1.86 0.95 -1.34 0.00 0.00 175.22 176.26 1a49 s THR 3521N -2.42 3.38 -1.78 -4.49 -4.23 -1.26 -4.40 115.64 100.43 1a49 s THR 3521Ca 0.04 0.27 0.19 0.00 -1.18 0.00 0.00 61.69 61.01 1a49 s THR 3521Cb -0.01 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.99 1a49 s THR 3521CO -0.05 -0.76 0.97 -0.46 -0.54 0.00 0.00 174.62 173.78 1a49 n ASN 3522N 12.30 1.86 -4.45 3.99 6.94 -0.15 -4.77 115.26 130.98 1a49 n ASN 3522Ca 0.22 -1.43 -0.33 0.00 -0.02 0.00 0.00 54.58 53.01 1a49 n ASN 3522Cb 0.51 0.45 -0.13 0.00 -2.36 0.00 0.00 39.78 38.25 1a49 n ASN 3522CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1a49 s THR 3523N -2.15 3.11 -0.04 5.53 2.01 -0.63 -4.88 115.64 118.59 1a49 s THR 3523Ca 0.16 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.50 1a49 s THR 3523Cb 0.15 -2.25 0.01 0.00 0.01 0.00 0.00 72.50 70.42 1a49 s THR 3523CO 0.47 0.57 -0.08 -0.32 -0.69 0.00 0.00 174.62 174.57 1a49 s MET 3524N -0.35 1.11 -0.01 4.92 1.75 -1.26 -2.04 119.30 123.42 1a49 s MET 3524Ca 0.04 -0.27 0.04 0.00 -1.25 0.00 0.00 55.69 54.25 1a49 s MET 3524Cb -0.12 -1.01 -0.01 0.00 2.84 0.00 0.00 34.83 36.53 1a49 s MET 3524CO 0.02 0.03 -0.13 1.03 -0.65 0.00 0.00 175.02 175.32 1a49 s ARG 3525N 0.54 1.04 -0.44 4.11 0.52 0.43 -4.95 118.95 120.20 1a49 s ARG 3525Ca -0.09 -0.48 -0.20 0.00 -0.52 0.00 0.00 55.73 54.43 1a49 s ARG 3525Cb -0.12 -1.00 0.03 0.00 0.52 0.00 0.00 34.95 34.37 1a49 s ARG 3525CO 0.01 0.27 0.63 0.54 0.02 0.00 0.00 175.30 176.77 1a49 s VAL 3526N -0.34 4.85 0.01 3.52 0.11 -1.26 0.78 120.40 128.06 1a49 s VAL 3526Ca 0.05 0.04 0.06 0.00 -2.93 0.00 0.00 61.98 59.20 1a49 s VAL 3526Cb -0.05 -4.20 -0.02 0.00 -1.53 0.00 0.00 36.38 30.58 1a49 s VAL 3526CO -0.00 -0.60 -0.19 0.68 -3.33 0.00 0.00 175.10 171.66 1a49 s VAL 3527N 2.76 1.49 0.46 2.04 -7.23 0.17 -4.95 120.40 115.14 1a49 s VAL 3527Ca 0.21 -0.96 -0.20 0.00 -1.81 0.00 0.00 61.98 59.23 1a49 s VAL 3527Cb -0.15 -1.27 -0.10 0.00 0.56 0.00 0.00 36.38 35.42 1a49 s VAL 3527CO 0.18 0.29 0.96 -2.16 -0.31 0.00 0.00 175.10 174.06 1a49 s PRO 3528N -0.79 4.14 0.09 4.82 0.04 -1.26 0.12 135.00 142.17 1a49 s PRO 3528Ca 0.07 1.06 -0.30 0.00 0.04 0.00 0.00 61.00 61.87 1a49 s PRO 3528Cb -0.08 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 1a49 s PRO 3528CO 0.00 -0.11 0.99 0.08 0.04 0.00 0.00 177.00 178.01 1a49 s VAL 3529N -2.32 4.51 -2.29 -0.36 1.01 0.29 -4.86 120.40 116.37 1a49 s VAL 3529Ca 0.61 2.00 0.30 0.00 0.00 0.00 0.00 61.98 64.88 1a49 s VAL 3529Cb -0.09 -4.28 0.70 0.00 0.00 0.00 0.00 36.38 32.71 1a49 s VAL 3529CO 0.19 0.26 1.95 -0.81 0.00 0.00 0.00 175.10 176.69