#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5u n GLN 3013N 0.00 2.60 -3.54 0.38 6.02 -1.26 -5.04 117.38 116.53 1a5u n GLN 3013Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 1a5u n GLN 3013Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 1a5u n GLN 3013CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1a5u s THR 3014N 0.00 0.00 -1.56 5.09 -1.32 -1.26 -4.48 115.64 112.11 1a5u s THR 3014Ca 0.00 -0.13 -0.16 0.00 -1.21 0.00 0.00 61.69 60.19 1a5u s THR 3014Cb 0.00 -1.18 0.14 0.00 -1.51 0.00 0.00 72.50 69.94 1a5u s THR 3014CO 0.00 0.00 0.70 0.00 -2.21 0.00 0.00 174.62 173.11 1a5u n GLN 3015N -0.30 -3.18 -1.98 7.08 6.02 0.14 -0.98 117.38 124.19 1a5u n GLN 3015Ca -0.09 0.38 -0.07 0.00 -0.01 0.00 0.00 57.00 57.21 1a5u n GLN 3015Cb 0.62 -5.10 -0.01 0.00 1.02 0.00 0.00 30.24 26.76 1a5u n GLN 3015CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1a5u n GLN 3016N -4.16 -2.01 -0.19 -1.09 3.00 -1.26 -4.78 117.38 106.88 1a5u n GLN 3016Ca 0.06 0.37 0.21 0.00 -0.01 0.00 0.00 57.00 57.63 1a5u n GLN 3016Cb 0.50 -4.77 0.57 0.00 0.00 0.00 0.00 30.24 26.54 1a5u n GLN 3016CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1a5u h LEU 3017N 0.00 0.28 -0.17 1.08 3.38 -1.38 -1.37 115.31 117.13 1a5u h LEU 3017Ca -0.16 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1a5u h LEU 3017Cb 0.87 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1a5u h LEU 3017CO 0.21 0.12 -0.06 -0.74 0.09 0.00 0.00 178.44 178.06 1a5u h HIS 3018N 0.29 0.39 -0.58 1.13 2.76 -1.87 -2.70 115.15 114.56 1a5u h HIS 3018Ca 0.43 -0.09 0.02 0.00 -2.20 0.00 0.00 60.37 58.53 1a5u h HIS 3018Cb 1.22 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 30.05 1a5u h HIS 3018CO -0.00 0.63 0.39 0.00 -1.30 0.00 0.00 177.93 177.64 1a5u h ALA 3019N 0.71 1.64 -0.41 5.26 0.00 -1.48 -1.64 119.26 123.34 1a5u h ALA 3019Ca 0.04 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.04 1a5u h ALA 3019Cb 0.51 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1a5u h ALA 3019CO 0.02 0.31 0.37 0.00 0.00 0.00 0.00 179.25 179.95 1a5u h ALA 3020N 1.65 2.19 -0.02 0.00 0.00 -1.17 0.29 119.26 122.20 1a5u h ALA 3020Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1a5u h ALA 3020Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1a5u h ALA 3020CO -0.06 -0.58 -0.04 -1.33 0.00 0.00 0.00 179.25 177.25 1a5u n MET 3021N -3.98 1.63 -1.02 0.00 2.81 -0.62 -4.76 117.12 111.18 1a5u n MET 3021Ca 0.07 -1.01 -0.33 0.00 -1.81 0.00 0.00 57.70 54.62 1a5u n MET 3021Cb 0.55 -1.48 0.13 0.00 -0.71 0.00 0.00 33.22 31.71 1a5u n MET 3021CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a5u n ALA 3022N 0.20 -0.66 -0.10 3.04 0.00 0.10 -4.95 120.51 118.13 1a5u n ALA 3022Ca 0.18 -0.39 -0.23 0.00 0.00 0.00 0.00 53.44 53.00 1a5u n ALA 3022Cb 0.38 -2.13 -0.12 0.00 0.00 0.00 0.00 19.45 17.58 1a5u n ALA 3022CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a5u n ASP 3023N -2.77 1.90 -5.00 0.00 8.00 -1.26 -4.91 116.55 112.50 1a5u n ASP 3023Ca 0.12 0.39 -0.18 0.00 0.71 0.00 0.00 54.79 55.83 1a5u n ASP 3023Cb 0.51 -0.93 0.01 0.00 -0.02 0.00 0.00 41.12 40.68 1a5u n ASP 3023CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1a5u s THR 3024N -2.40 3.24 0.15 -3.53 -4.23 -1.26 -4.98 115.64 102.63 1a5u s THR 3024Ca -0.30 -0.97 -0.11 0.00 -1.18 0.00 0.00 61.69 59.14 1a5u s THR 3024Cb 0.07 -3.10 -0.00 0.00 1.34 0.00 0.00 72.50 70.80 1a5u s THR 3024CO 0.60 -0.04 1.54 0.15 -0.54 0.00 0.00 174.62 176.32 1a5u h PHE 3025N 0.65 1.09 -0.15 3.99 3.57 -1.99 0.10 116.94 124.21 1a5u h PHE 3025Ca -0.42 -0.26 0.03 0.00 3.53 0.00 0.00 57.97 60.86 1a5u h PHE 3025Cb 1.28 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 1a5u h PHE 3025CO 0.40 1.07 -0.07 1.25 -2.23 0.00 0.00 178.31 178.73 1a5u h LEU 3026N 0.80 -0.23 -0.87 0.59 5.85 -2.00 -1.58 115.31 117.86 1a5u h LEU 3026Ca 0.11 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.92 1a5u h LEU 3026Cb 0.76 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 1a5u h LEU 3026CO 0.06 -0.09 0.57 -0.08 -0.34 0.00 0.00 178.44 178.55 1a5u h GLU 3027N -0.05 1.07 -0.34 1.25 4.57 -1.92 0.28 114.58 119.44 1a5u h GLU 3027Ca 0.08 -0.06 0.07 0.00 -1.18 0.00 0.00 59.36 58.26 1a5u h GLU 3027Cb 0.18 -0.24 -0.06 0.00 -0.16 0.00 0.00 28.75 28.46 1a5u h GLU 3027CO -0.19 0.71 -0.05 1.25 -1.18 0.00 0.00 179.01 179.55 1a5u h HIS 3028N 1.10 -0.12 0.30 0.92 2.76 0.15 -2.04 115.15 118.23 1a5u h HIS 3028Ca 0.35 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.53 1a5u h HIS 3028Cb -0.01 0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.06 1a5u h HIS 3028CO -0.02 -0.12 -0.15 0.52 -1.30 0.00 0.00 177.93 176.87 1a5u h MET 3029N 0.03 -0.39 -1.18 5.26 2.07 -0.68 -2.59 114.93 117.45 1a5u h MET 3029Ca 0.16 0.03 0.33 0.00 -2.07 0.00 0.00 59.70 58.16 1a5u h MET 3029Cb 0.24 0.09 -0.07 0.00 -1.87 0.00 0.00 31.60 30.00 1a5u h MET 3029CO -0.32 -0.26 0.81 0.00 1.07 0.00 0.00 176.91 178.21 1a5u n ARG 3031N -4.35 0.55 -1.69 0.00 1.74 -0.79 -4.91 116.66 107.21 1a5u n ARG 3031Ca 0.27 -0.19 -0.44 0.00 -0.77 0.00 0.00 57.85 56.72 1a5u n ARG 3031Cb 1.17 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 31.08 1a5u n ARG 3031CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1a5u n LEU 3032N -1.06 3.65 -4.01 0.55 4.77 0.12 -4.43 117.00 116.58 1a5u n LEU 3032Ca 0.13 1.05 -0.31 0.00 -0.03 0.00 0.00 56.01 56.84 1a5u n LEU 3032Cb 0.29 -1.50 -0.15 0.00 -2.33 0.00 0.00 43.42 39.72 1a5u n LEU 3032CO 0.25 -0.00 -0.45 -0.62 -1.33 0.00 0.00 177.39 175.24 1a5u s ASP 3033N 1.55 4.14 0.16 -1.43 -1.08 -1.26 -4.96 116.67 113.79 1a5u s ASP 3033Ca 0.79 -1.27 0.10 0.00 -0.52 0.00 0.00 52.55 51.64 1a5u s ASP 3033Cb -0.57 -1.38 0.52 0.00 -1.46 0.00 0.00 42.92 40.02 1a5u s ASP 3033CO 0.36 -0.20 1.24 2.30 0.52 0.00 0.00 175.17 179.39 1a5u n ILE 3034N 4.54 1.30 1.24 4.11 -5.35 -1.26 0.10 119.36 124.05 1a5u n ILE 3034Ca -0.13 0.62 0.13 0.00 -0.27 0.00 0.00 62.75 63.10 1a5u n ILE 3034Cb 0.43 -1.62 0.32 0.00 -1.74 0.00 0.00 39.64 37.02 1a5u n ILE 3034CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1a5u n ASP 3035N -1.82 1.51 -4.69 7.28 8.00 -1.26 -4.80 116.55 120.78 1a5u n ASP 3035Ca -0.01 -1.26 -0.42 0.00 0.71 0.00 0.00 54.79 53.82 1a5u n ASP 3035Cb 0.10 0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 1a5u n ASP 3035CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1a5u s SER 3036N -2.33 7.12 -0.15 -2.24 0.15 0.29 -4.93 113.70 111.61 1a5u s SER 3036Ca 0.27 1.37 -0.15 0.00 0.70 0.00 0.00 55.95 58.14 1a5u s SER 3036Cb 0.20 -2.50 -0.05 0.00 -1.71 0.00 0.00 66.02 61.96 1a5u s SER 3036CO 0.46 -0.37 0.34 0.00 1.20 0.00 0.00 173.24 174.88 1a5u s ALA 3037N 1.80 3.56 0.78 5.45 0.00 -1.26 -4.70 121.76 127.39 1a5u s ALA 3037Ca 0.44 -0.38 -0.12 0.00 0.00 0.00 0.00 51.96 51.90 1a5u s ALA 3037Cb -0.18 -2.46 0.06 0.00 0.00 0.00 0.00 23.12 20.54 1a5u s ALA 3037CO 0.17 0.07 1.13 -1.25 0.00 0.00 0.00 175.76 175.87 1a5u s PRO 3038N 0.50 2.23 0.93 0.00 0.04 -1.26 0.29 135.00 137.73 1a5u s PRO 3038Ca 0.19 0.38 -0.12 0.00 0.04 0.00 0.00 61.00 61.49 1a5u s PRO 3038Cb -0.14 -1.96 0.15 0.00 0.04 0.00 0.00 34.50 32.60 1a5u s PRO 3038CO 0.06 -1.46 1.13 0.96 0.04 0.00 0.00 177.00 177.72 1a5u s ILE 3039N -3.37 2.01 0.16 0.56 -4.36 -1.26 -4.84 121.20 110.10 1a5u s ILE 3039Ca 0.60 0.00 -0.00 0.00 -0.26 0.00 0.00 60.65 61.00 1a5u s ILE 3039Cb -0.12 -2.69 -0.15 0.00 1.25 0.00 0.00 42.46 40.75 1a5u s ILE 3039CO 0.52 -0.01 1.37 0.71 0.24 0.00 0.00 174.94 177.77 1a5u h THR 3040N -1.60 1.44 -3.66 8.37 1.35 -1.95 -3.45 112.91 113.39 1a5u h THR 3040Ca -0.52 -2.44 -0.52 0.00 -0.55 0.00 0.00 66.41 62.38 1a5u h THR 3040Cb 1.33 2.36 0.05 0.00 -1.73 0.00 0.00 68.15 70.16 1a5u h THR 3040CO 0.61 0.72 0.63 0.00 -0.25 0.00 0.00 175.52 177.23 1a5u s ALA 3041N -3.33 3.51 -0.26 6.62 0.00 -1.26 -5.01 121.76 122.03 1a5u s ALA 3041Ca -0.04 1.17 -0.01 0.00 0.00 0.00 0.00 51.96 53.07 1a5u s ALA 3041Cb 0.10 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.79 1a5u s ALA 3041CO 0.84 -0.55 -0.05 0.50 0.00 0.00 0.00 175.76 176.50 1a5u s ARG 3042N -1.07 2.66 0.24 0.00 3.00 -1.26 -4.89 118.95 117.63 1a5u s ARG 3042Ca 0.52 -1.09 0.09 0.00 -1.00 0.00 0.00 55.73 54.25 1a5u s ARG 3042Cb -0.38 -3.02 0.25 0.00 0.00 0.00 0.00 34.95 31.79 1a5u s ARG 3042CO 0.46 -0.48 1.55 -0.91 0.00 0.00 0.00 175.30 175.92 1a5u h ASN 3043N 7.98 0.02 -3.26 -2.12 -0.26 -1.93 -3.46 115.58 112.56 1a5u h ASN 3043Ca -0.28 -0.01 -0.55 0.00 -0.56 0.00 0.00 56.30 54.89 1a5u h ASN 3043Cb 1.09 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 38.32 1a5u h ASN 3043CO 0.55 0.70 0.54 -0.89 -1.06 0.00 0.00 177.43 177.27 1a5u s THR 3044N -3.46 4.61 0.35 2.81 2.01 -1.26 0.17 115.64 120.88 1a5u s THR 3044Ca -0.01 1.89 -0.27 0.00 0.31 0.00 0.00 61.69 63.60 1a5u s THR 3044Cb 0.12 -4.21 -0.09 0.00 0.01 0.00 0.00 72.50 68.33 1a5u s THR 3044CO 0.78 0.06 1.19 -0.83 -0.69 0.00 0.00 174.62 175.13 1a5u s GLY 3045N 1.15 2.95 -0.22 4.40 0.00 -0.99 -4.90 107.32 109.71 1a5u s GLY 3045Ca 0.52 1.04 -0.04 0.00 0.00 0.00 0.00 44.72 46.24 1a5u s GLY 3045CO 0.23 1.61 -0.05 -0.42 0.00 0.00 0.00 173.10 174.47 1a5u s ILE 3046N -1.27 3.31 -0.28 0.90 1.01 -1.26 -1.26 121.20 122.34 1a5u s ILE 3046Ca 0.52 -0.54 -0.10 0.00 0.00 0.00 0.00 60.65 60.52 1a5u s ILE 3046Cb -0.34 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 1a5u s ILE 3046CO 0.43 0.41 0.15 -0.63 0.00 0.00 0.00 174.94 175.30 1a5u s ILE 3047N 1.46 4.87 -0.12 2.92 1.01 -0.76 0.12 121.20 130.71 1a5u s ILE 3047Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1a5u s ILE 3047Cb -0.14 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 1a5u s ILE 3047CO -0.04 0.24 -0.13 0.00 0.00 0.00 0.00 174.94 175.01 1a5u s THR 3049N 0.26 4.44 -0.23 0.00 2.01 -0.66 0.81 115.64 122.27 1a5u s THR 3049Ca -0.09 1.69 -0.12 0.00 0.31 0.00 0.00 61.69 63.48 1a5u s THR 3049Cb -0.16 -4.28 -0.05 0.00 0.01 0.00 0.00 72.50 68.03 1a5u s THR 3049CO 0.05 -0.36 0.22 -0.63 -0.69 0.00 0.00 174.62 173.22 1a5u s ILE 3050N 3.66 5.32 0.00 1.82 -1.09 0.31 -2.44 121.20 128.78 1a5u s ILE 3050Ca 0.49 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 59.22 1a5u s ILE 3050Cb -0.15 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 1a5u s ILE 3050CO 0.15 0.32 0.00 0.61 -1.23 0.00 0.00 174.94 174.79 1a5u n GLY 3051N 4.19 5.35 0.32 6.18 0.00 -1.25 -4.69 105.19 115.30 1a5u n GLY 3051Ca -0.13 -1.13 0.08 0.00 0.00 0.00 0.00 46.02 44.84 1a5u n GLY 3051CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a5u h PRO 3052N 0.00 0.66 0.00 1.61 0.11 -1.66 -0.91 132.00 131.81 1a5u h PRO 3052Ca 0.00 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 1a5u h PRO 3052Cb 0.00 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 1a5u h PRO 3052CO 0.00 0.44 -0.28 0.00 -0.21 0.00 0.00 178.00 177.95 1a5u h ALA 3053N 1.57 0.88 -0.01 -0.75 0.00 -1.23 -3.34 119.26 116.38 1a5u h ALA 3053Ca 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1a5u h ALA 3053Cb 0.69 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1a5u h ALA 3053CO -0.36 0.35 0.00 -1.13 0.00 0.00 0.00 179.25 178.11 1a5u n SER 3054N -3.26 1.32 -0.32 0.00 3.41 -1.02 -4.79 113.62 108.94 1a5u n SER 3054Ca 0.02 -1.18 0.07 0.00 -0.26 0.00 0.00 58.87 57.51 1a5u n SER 3054Cb 0.56 -0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.73 1a5u n SER 3054CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1a5u h ARG 3055N 0.60 0.78 -6.90 4.33 3.08 -1.30 -3.34 114.38 111.62 1a5u h ARG 3055Ca 0.00 -0.05 -0.55 0.00 0.07 0.00 0.00 59.98 59.45 1a5u h ARG 3055Cb 0.15 -0.18 0.12 0.00 0.08 0.00 0.00 29.97 30.15 1a5u h ARG 3055CO 0.00 0.52 0.65 -1.13 -1.07 0.00 0.00 179.97 178.94 1a5u n SER 3056N -4.74 3.23 -0.28 7.04 3.41 -1.26 -4.77 113.62 116.25 1a5u n SER 3056Ca 0.18 1.16 -0.02 0.00 -0.26 0.00 0.00 58.87 59.93 1a5u n SER 3056Cb 0.39 -1.57 0.10 0.00 -0.26 0.00 0.00 64.21 62.87 1a5u n SER 3056CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1a5u h VAL 3057N 2.49 1.09 -0.69 -3.33 2.07 -1.87 0.20 116.25 116.20 1a5u h VAL 3057Ca -0.49 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1a5u h VAL 3057Cb 1.27 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1a5u h VAL 3057CO 0.62 0.17 0.43 -0.08 0.02 0.00 0.00 177.57 178.73 1a5u h GLU 3058N 0.93 0.93 -0.40 1.57 4.81 -1.94 -1.07 114.58 119.41 1a5u h GLU 3058Ca 0.32 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.38 1a5u h GLU 3058Cb 0.06 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1a5u h GLU 3058CO -0.13 0.65 -0.13 1.15 -0.73 0.00 0.00 179.01 179.82 1a5u h THR 3059N 0.94 1.28 -0.14 0.32 2.02 -1.51 -3.02 112.91 112.80 1a5u h THR 3059Ca 0.25 -1.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.18 1a5u h THR 3059Cb -0.05 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1a5u h THR 3059CO -0.05 0.42 0.04 -0.07 0.37 0.00 0.00 175.52 176.22 1a5u h LEU 3060N 0.61 0.16 -0.69 2.58 3.38 -0.34 0.64 115.31 121.65 1a5u h LEU 3060Ca 0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1a5u h LEU 3060Cb 0.67 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1a5u h LEU 3060CO 0.05 0.17 0.35 0.11 0.09 0.00 0.00 178.44 179.21 1a5u h LYS 3061N 0.19 0.98 -0.37 1.13 1.57 -1.07 0.37 116.57 119.37 1a5u h LYS 3061Ca 0.05 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 1a5u h LYS 3061Cb 0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1a5u h LYS 3061CO -0.00 0.76 -0.26 0.93 -0.57 0.00 0.00 179.45 180.31 1a5u h GLU 3062N 0.95 0.82 -0.39 3.15 4.39 -1.50 -1.30 114.58 120.71 1a5u h GLU 3062Ca 0.24 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1a5u h GLU 3062Cb 0.09 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1a5u h GLU 3062CO -0.03 1.03 0.24 0.52 -1.16 0.00 0.00 179.01 179.61 1a5u h MET 3063N 0.62 0.51 0.03 2.33 2.86 -0.13 1.16 114.93 122.32 1a5u h MET 3063Ca 0.07 -0.03 -0.24 0.00 -2.06 0.00 0.00 59.70 57.44 1a5u h MET 3063Cb 0.83 -0.11 0.02 0.00 0.06 0.00 0.00 31.60 32.40 1a5u h MET 3063CO 0.07 0.35 -0.95 0.82 1.06 0.00 0.00 176.91 178.26 1a5u h ILE 3064N 0.52 1.33 0.00 -1.22 2.04 -0.73 0.12 117.51 119.57 1a5u h ILE 3064Ca 0.14 -2.26 -0.05 0.00 1.00 0.00 0.00 64.86 63.69 1a5u h ILE 3064Cb -0.04 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 1a5u h ILE 3064CO -0.03 0.68 -0.25 0.11 0.00 0.00 0.00 178.15 178.66 1a5u h LYS 3065N 0.18 0.00 -0.00 2.37 1.57 -0.29 -2.03 116.57 118.37 1a5u h LYS 3065Ca -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1a5u h LYS 3065Cb 1.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.94 1a5u h LYS 3065CO 0.19 0.25 -0.19 0.45 -0.57 0.00 0.00 179.45 179.58 1a5u n SER 3066N -4.20 0.32 0.00 0.86 2.88 0.39 -4.94 113.62 108.93 1a5u n SER 3066Ca -0.02 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1a5u n SER 3066Cb 0.31 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 1a5u n SER 3066CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a5u n GLY 3067N 1.42 0.65 3.73 0.46 0.00 -0.76 -4.27 105.19 106.42 1a5u n GLY 3067Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1a5u n GLY 3067CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1a5u s MET 3068N 0.00 4.16 -0.08 1.61 -2.45 0.35 -4.52 119.30 118.36 1a5u s MET 3068Ca 0.00 2.52 0.10 0.00 -1.25 0.00 0.00 55.69 57.06 1a5u s MET 3068Cb 0.00 -3.08 -0.14 0.00 1.25 0.00 0.00 34.83 32.85 1a5u s MET 3068CO 0.00 -0.66 0.09 0.09 1.05 0.00 0.00 175.02 175.59 1a5u n ASN 3069N 3.36 2.35 -3.87 1.11 4.13 0.12 -4.72 115.26 117.74 1a5u n ASN 3069Ca 0.13 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.26 1a5u n ASN 3069Cb 0.37 0.96 -0.14 0.00 -1.54 0.00 0.00 39.78 39.42 1a5u n ASN 3069CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1a5u s VAL 3070N -2.40 -0.00 -0.16 2.41 1.01 -0.95 -2.01 120.40 118.29 1a5u s VAL 3070Ca -0.05 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 1a5u s VAL 3070Cb 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 36.38 36.38 1a5u s VAL 3070CO 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 175.10 175.53 1a5u s ALA 3071N 0.03 3.03 -0.20 5.51 0.00 -1.00 -0.24 121.76 128.90 1a5u s ALA 3071Ca -0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 1a5u s ALA 3071Cb -0.00 -1.61 -0.00 0.00 0.00 0.00 0.00 23.12 21.51 1a5u s ALA 3071CO -0.00 0.17 -0.10 0.50 0.00 0.00 0.00 175.76 176.33 1a5u s ARG 3072N 0.43 3.26 -0.43 0.00 3.52 0.24 -1.07 118.95 124.89 1a5u s ARG 3072Ca -0.03 -0.69 -0.17 0.00 -0.13 0.00 0.00 55.73 54.71 1a5u s ARG 3072Cb -0.14 -2.84 0.03 0.00 -1.56 0.00 0.00 34.95 30.44 1a5u s ARG 3072CO 0.03 -0.17 0.42 -1.64 -0.81 0.00 0.00 175.30 173.12 1a5u s MET 3073N 1.34 3.05 -0.34 5.12 -1.94 -0.75 -0.53 119.30 125.26 1a5u s MET 3073Ca 0.04 -0.90 -0.25 0.00 -1.71 0.00 0.00 55.69 52.87 1a5u s MET 3073Cb -0.14 -4.00 0.01 0.00 2.01 0.00 0.00 34.83 32.71 1a5u s MET 3073CO -0.06 -0.88 0.89 1.21 -0.01 0.00 0.00 175.02 176.17 1a5u s ASN 3074N 1.95 6.71 0.17 3.03 3.84 -1.26 -1.17 114.94 128.22 1a5u s ASN 3074Ca 0.10 0.68 0.20 0.00 0.21 0.00 0.00 52.86 54.05 1a5u s ASN 3074Cb -0.19 -2.45 0.85 0.00 -0.55 0.00 0.00 41.25 38.91 1a5u s ASN 3074CO 0.12 -0.76 1.61 0.49 -2.79 0.00 0.00 177.10 175.77 1a5u n PHE 3075N 6.55 0.53 0.31 0.43 3.01 0.80 -2.02 117.46 127.06 1a5u n PHE 3075Ca 0.06 0.21 0.09 0.00 1.01 0.00 0.00 57.45 58.83 1a5u n PHE 3075Cb 0.48 -0.84 0.43 0.00 -0.01 0.00 0.00 39.48 39.54 1a5u n PHE 3075CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1a5u n SER 3076N -1.98 0.44 -4.39 4.37 7.64 -1.26 -4.71 113.62 113.73 1a5u n SER 3076Ca 0.02 0.64 -0.19 0.00 1.01 0.00 0.00 58.87 60.35 1a5u n SER 3076Cb 0.20 -0.72 -0.10 0.00 -1.01 0.00 0.00 64.21 62.57 1a5u n SER 3076CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1a5u s HIS 3077N -3.28 1.79 0.00 1.43 3.76 -0.86 -4.95 115.29 113.18 1a5u s HIS 3077Ca 0.02 -0.87 0.00 0.00 -0.15 0.00 0.00 55.06 54.06 1a5u s HIS 3077Cb 0.07 -1.07 0.00 0.00 1.11 0.00 0.00 32.58 32.69 1a5u s HIS 3077CO 0.27 0.06 0.00 0.41 -0.85 0.00 0.00 174.74 174.63 1a5u n GLY 3078N -0.54 0.50 3.42 -2.22 0.00 -1.26 -4.87 105.19 100.22 1a5u n GLY 3078Ca -0.04 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 1a5u n GLY 3078CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a5u s THR 3079N 0.00 0.00 0.27 2.61 -4.23 -1.26 -5.00 115.64 108.03 1a5u s THR 3079Ca 0.00 -1.68 -0.03 0.00 -1.18 0.00 0.00 61.69 58.80 1a5u s THR 3079Cb 0.00 -2.42 0.27 0.00 1.34 0.00 0.00 72.50 71.69 1a5u s THR 3079CO 0.00 0.00 1.91 0.45 -0.54 0.00 0.00 174.62 176.44 1a5u h HIS 3080N 2.34 1.17 -0.63 3.99 -0.00 -1.98 -1.83 115.15 118.20 1a5u h HIS 3080Ca -0.30 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.11 1a5u h HIS 3080Cb 1.25 -0.39 -0.03 0.00 -0.00 0.00 0.00 27.41 28.23 1a5u h HIS 3080CO 0.69 0.66 0.41 1.49 -0.00 0.00 0.00 177.93 181.18 1a5u h GLU 3081N 1.19 0.81 0.57 2.45 4.81 -1.99 0.17 114.58 122.60 1a5u h GLU 3081Ca 0.39 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.55 1a5u h GLU 3081Cb 0.06 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.26 1a5u h GLU 3081CO -0.13 0.53 -0.27 -0.92 -0.73 0.00 0.00 179.01 177.49 1a5u h TYR 3082N 0.83 -0.71 -0.62 0.92 5.03 -1.79 -2.51 116.97 118.12 1a5u h TYR 3082Ca 0.24 -0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.60 1a5u h TYR 3082Cb -0.07 0.23 -0.04 0.00 1.55 0.00 0.00 36.73 38.41 1a5u h TYR 3082CO -0.04 -0.39 0.41 0.45 -1.32 0.00 0.00 178.16 177.27 1a5u h HIS 3083N -0.89 0.60 -0.31 -3.82 3.86 -1.14 -0.51 115.15 112.94 1a5u h HIS 3083Ca -0.08 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.03 1a5u h HIS 3083Cb 0.63 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 1a5u h HIS 3083CO -0.01 0.32 -0.30 0.00 0.86 0.00 0.00 177.93 178.80 1a5u h ALA 3084N 1.67 0.89 -0.16 2.45 0.00 -0.66 -0.34 119.26 123.11 1a5u h ALA 3084Ca 0.27 -0.39 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 1a5u h ALA 3084Cb 0.31 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1a5u h ALA 3084CO -0.08 0.62 -0.74 1.49 0.00 0.00 0.00 179.25 180.54 1a5u h GLU 3085N 0.56 0.76 0.18 0.00 4.81 -0.71 -0.60 114.58 119.58 1a5u h GLU 3085Ca 0.07 -0.60 0.01 0.00 -0.13 0.00 0.00 59.36 58.71 1a5u h GLU 3085Cb 0.79 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 1a5u h GLU 3085CO 0.07 1.21 -0.28 1.15 -0.73 0.00 0.00 179.01 180.43 1a5u h THR 3086N 0.53 0.40 -0.96 0.32 2.02 -1.00 -0.14 112.91 114.07 1a5u h THR 3086Ca -0.04 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.31 1a5u h THR 3086Cb 1.36 0.40 -0.09 0.00 -1.74 0.00 0.00 68.15 68.08 1a5u h THR 3086CO 0.15 0.00 0.61 0.40 0.37 0.00 0.00 175.52 177.05 1a5u h ILE 3087N -0.53 0.76 -0.31 3.11 2.04 -0.97 0.11 117.51 121.71 1a5u h ILE 3087Ca 0.02 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1a5u h ILE 3087Cb 0.53 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1a5u h ILE 3087CO -0.12 0.13 0.09 0.50 0.00 0.00 0.00 178.15 178.75 1a5u h LYS 3088N 0.70 0.49 -0.47 2.37 3.64 -0.04 -1.93 116.57 121.33 1a5u h LYS 3088Ca 0.51 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1a5u h LYS 3088Cb 0.87 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 1a5u h LYS 3088CO -0.28 0.53 0.27 -0.91 -2.27 0.00 0.00 179.45 176.80 1a5u h ASN 3089N 0.35 0.57 -0.18 4.20 -0.26 0.89 -0.18 115.58 120.97 1a5u h ASN 3089Ca 0.10 -0.07 0.04 0.00 -0.56 0.00 0.00 56.30 55.82 1a5u h ASN 3089Cb 0.25 -0.14 -0.04 0.00 -1.06 0.00 0.00 38.32 37.33 1a5u h ASN 3089CO -0.00 0.47 -0.09 0.58 -1.06 0.00 0.00 177.43 177.32 1a5u h VAL 3090N 0.62 0.71 -0.03 2.81 2.07 -0.87 0.57 116.25 122.13 1a5u h VAL 3090Ca 0.17 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 1a5u h VAL 3090Cb 0.01 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1a5u h VAL 3090CO -0.03 0.00 -0.24 0.03 0.02 0.00 0.00 177.57 177.35 1a5u h ARG 3091N -0.07 0.04 -0.08 1.57 3.08 -1.21 0.26 114.38 117.97 1a5u h ARG 3091Ca 0.10 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.96 1a5u h ARG 3091Cb 0.22 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.28 1a5u h ARG 3091CO -0.23 0.28 -0.65 1.15 -1.07 0.00 0.00 179.97 179.45 1a5u h THR 3092N 0.04 1.35 -0.02 2.04 2.02 -0.22 -1.12 112.91 116.99 1a5u h THR 3092Ca 0.01 -1.96 -0.00 0.00 0.77 0.00 0.00 66.41 65.23 1a5u h THR 3092Cb 0.45 2.25 -0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1a5u h THR 3092CO 0.03 0.60 0.01 0.00 0.37 0.00 0.00 175.52 176.53 1a5u h ALA 3093N 0.45 0.03 -0.27 6.16 0.00 0.79 -2.24 119.26 124.18 1a5u h ALA 3093Ca -0.06 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1a5u h ALA 3093Cb 1.31 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1a5u h ALA 3093CO 0.13 -0.43 -0.18 1.15 0.00 0.00 0.00 179.25 179.92 1a5u h THR 3094N -0.05 0.50 0.00 0.00 2.02 -0.54 -1.60 112.91 113.24 1a5u h THR 3094Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1a5u h THR 3094Cb 0.08 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1a5u h THR 3094CO -0.00 0.00 0.00 -0.33 0.37 0.00 0.00 175.52 175.56 1a5u h GLU 3095N -0.15 0.00 0.00 6.66 4.39 -1.01 -2.50 114.58 121.97 1a5u h GLU 3095Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1a5u h GLU 3095Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1a5u h GLU 3095CO -0.37 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.14 1a5u h SER 3096N 0.00 0.00 -0.02 1.42 4.64 -0.67 -1.32 113.55 117.60 1a5u h SER 3096Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a5u h SER 3096Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1a5u h SER 3096CO 0.00 0.00 -0.24 0.49 -0.87 0.00 0.00 176.83 176.21 1a5u n PHE 3097N -2.64 0.00 0.20 4.77 3.72 -0.94 -4.56 117.46 118.01 1a5u n PHE 3097Ca -0.01 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.56 1a5u n PHE 3097Cb 0.10 0.00 0.71 0.00 -0.94 0.00 0.00 39.48 39.35 1a5u n PHE 3097CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a5u h ALA 3098N 3.18 1.80 0.23 4.37 0.00 -1.37 -2.53 119.26 124.94 1a5u h ALA 3098Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1a5u h ALA 3098Cb 0.64 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1a5u h ALA 3098CO 0.00 -0.59 -0.12 0.66 0.00 0.00 0.00 179.25 179.20 1a5u h SER 3099N 0.00 -0.28 -3.53 0.00 4.64 -1.80 -3.35 113.55 109.22 1a5u h SER 3099Ca 0.11 0.01 -0.77 0.00 -0.47 0.00 0.00 61.79 60.67 1a5u h SER 3099Cb 1.06 0.07 -0.25 0.00 -0.31 0.00 0.00 62.40 62.98 1a5u h SER 3099CO -0.00 -0.19 0.14 -0.62 -0.87 0.00 0.00 176.83 175.28 1a5u s ASP 3100N -4.91 6.65 0.00 4.97 2.15 -0.95 -4.90 116.67 119.67 1a5u s ASP 3100Ca -0.15 -2.45 0.00 0.00 0.43 0.00 0.00 52.55 50.39 1a5u s ASP 3100Cb 0.05 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 1a5u s ASP 3100CO 0.65 -0.69 0.35 -0.81 -0.17 0.00 0.00 175.17 174.50 1a5u n PRO 3101N 4.52 0.00 -0.12 4.34 -0.04 -1.26 0.15 135.00 142.60 1a5u n PRO 3101Ca 0.10 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.62 1a5u n PRO 3101Cb 0.46 -1.37 0.11 0.00 -0.04 0.00 0.00 33.50 32.67 1a5u n PRO 3101CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1a5u n ILE 3102N -0.84 1.54 -0.91 0.52 5.41 -1.26 -4.39 119.36 119.42 1a5u n ILE 3102Ca 0.00 -1.62 0.00 0.00 1.00 0.00 0.00 62.75 62.13 1a5u n ILE 3102Cb 0.00 0.10 0.00 0.00 -0.71 0.00 0.00 39.64 39.03 1a5u n ILE 3102CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1a5u n LEU 3103N -0.73 0.00 -4.61 1.39 7.94 0.41 -4.79 117.00 116.61 1a5u n LEU 3103Ca 0.11 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.59 1a5u n LEU 3103Cb 0.52 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.43 1a5u n LEU 3103CO 0.04 0.05 0.71 -0.47 -1.11 0.00 0.00 177.39 176.61 1a5u s TYR 3104N 0.00 3.13 -0.20 1.96 5.04 0.31 -4.95 117.35 122.64 1a5u s TYR 3104Ca 0.00 0.82 -0.08 0.00 -2.44 0.00 0.00 57.07 55.37 1a5u s TYR 3104Cb 0.00 -3.48 -0.04 0.00 0.35 0.00 0.00 41.96 38.78 1a5u s TYR 3104CO 0.00 -0.72 0.08 1.03 -1.34 0.00 0.00 175.55 174.60 1a5u s ARG 3105N 3.29 3.96 0.31 4.97 0.52 -1.26 -4.87 118.95 125.86 1a5u s ARG 3105Ca 0.37 -0.34 -0.29 0.00 -0.52 0.00 0.00 55.73 54.94 1a5u s ARG 3105Cb -0.13 -3.27 -0.10 0.00 0.52 0.00 0.00 34.95 31.97 1a5u s ARG 3105CO 0.16 0.20 1.16 -2.14 0.02 0.00 0.00 175.30 174.70 1a5u s PRO 3106N 0.58 4.50 -0.10 3.54 0.02 -1.26 -4.97 135.00 137.31 1a5u s PRO 3106Ca 0.04 1.91 0.00 0.00 0.02 0.00 0.00 61.00 62.98 1a5u s PRO 3106Cb -0.13 -3.10 0.02 0.00 0.02 0.00 0.00 34.50 31.32 1a5u s PRO 3106CO 0.01 0.05 -0.10 0.08 -0.33 0.00 0.00 177.00 176.71 1a5u s VAL 3107N -1.19 1.14 0.22 3.83 1.01 -1.26 -4.89 120.40 119.25 1a5u s VAL 3107Ca 0.47 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.84 1a5u s VAL 3107Cb -0.34 -1.10 -0.08 0.00 0.00 0.00 0.00 36.38 34.86 1a5u s VAL 3107CO 0.44 0.38 0.76 0.00 0.00 0.00 0.00 175.10 176.67 1a5u s ALA 3108N 1.37 3.40 -0.18 5.51 0.00 -0.85 -4.92 121.76 126.10 1a5u s ALA 3108Ca -0.01 0.25 -0.06 0.00 0.00 0.00 0.00 51.96 52.14 1a5u s ALA 3108Cb -0.14 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 1a5u s ALA 3108CO -0.05 0.30 0.03 0.08 0.00 0.00 0.00 175.76 176.13 1a5u s VAL 3109N -1.43 4.50 -0.03 0.00 1.01 -1.26 -2.38 120.40 120.80 1a5u s VAL 3109Ca 0.42 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.30 1a5u s VAL 3109Cb -0.19 -3.02 -0.00 0.00 0.00 0.00 0.00 36.38 33.18 1a5u s VAL 3109CO 0.22 0.46 -0.14 0.00 0.00 0.00 0.00 175.10 175.64 1a5u s ALA 3110N 0.46 1.28 -0.25 5.51 0.00 -0.23 -0.01 121.76 128.52 1a5u s ALA 3110Ca 0.01 -0.56 -0.12 0.00 0.00 0.00 0.00 51.96 51.29 1a5u s ALA 3110Cb -0.13 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 1a5u s ALA 3110CO 0.01 0.23 0.21 -1.17 0.00 0.00 0.00 175.76 175.05 1a5u s LEU 3111N 0.06 4.09 -0.41 0.00 0.20 -0.84 -1.80 118.68 119.97 1a5u s LEU 3111Ca -0.03 0.13 -0.15 0.00 0.69 0.00 0.00 54.13 54.78 1a5u s LEU 3111Cb -0.10 -2.18 0.03 0.00 -0.43 0.00 0.00 46.19 43.51 1a5u s LEU 3111CO 0.01 -0.00 0.30 -0.62 -0.29 0.00 0.00 176.35 175.75 1a5u s ASP 3112N 1.30 6.08 0.97 3.68 -1.08 -0.31 0.29 116.67 127.60 1a5u s ASP 3112Ca 0.09 -0.96 -0.11 0.00 -0.52 0.00 0.00 52.55 51.05 1a5u s ASP 3112Cb -0.15 -2.15 0.18 0.00 -1.46 0.00 0.00 42.92 39.34 1a5u s ASP 3112CO 0.07 -0.47 1.10 -0.89 0.52 0.00 0.00 175.17 175.51 1a5u s THR 3113N 1.66 2.22 -0.17 1.71 2.01 -0.58 -0.14 115.64 122.35 1a5u s THR 3113Ca 0.05 0.07 -0.18 0.00 0.31 0.00 0.00 61.69 61.94 1a5u s THR 3113Cb -0.20 -2.19 -0.15 0.00 0.01 0.00 0.00 72.50 69.98 1a5u s THR 3113CO 0.09 -0.09 0.19 0.11 -0.69 0.00 0.00 174.62 174.23 1a5u h LYS 3114N -2.00 0.00 0.00 4.92 1.57 -1.90 -3.39 116.57 115.77 1a5u h LYS 3114Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1a5u h LYS 3114Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1a5u h LYS 3114CO 0.46 0.69 0.00 0.41 -0.57 0.00 0.00 179.45 180.44 1a5u n GLY 3115N 1.53 -1.50 2.71 3.86 0.00 -1.26 -4.08 105.19 106.45 1a5u n GLY 3115Ca -0.20 -1.21 -0.16 0.00 0.00 0.00 0.00 46.02 44.44 1a5u n GLY 3115CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a5u n PRO 3116N -0.96 1.54 -4.19 1.61 -0.04 -1.26 -4.85 135.00 126.85 1a5u n PRO 3116Ca 0.00 -1.20 -0.26 0.00 -0.04 0.00 0.00 63.50 62.00 1a5u n PRO 3116Cb 0.00 -2.33 -0.06 0.00 -0.04 0.00 0.00 33.50 31.07 1a5u n PRO 3116CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1a5u s GLU 3117N 3.82 2.22 -0.19 0.54 -1.05 -1.26 -4.95 118.70 117.83 1a5u s GLU 3117Ca 0.29 -1.96 -0.02 0.00 -0.15 0.00 0.00 54.97 53.13 1a5u s GLU 3117Cb 0.08 -1.93 -0.01 0.00 -0.44 0.00 0.00 34.13 31.83 1a5u s GLU 3117CO -0.02 -0.24 -0.09 0.42 0.95 0.00 0.00 175.26 176.28 1a5u s ILE 3118N -2.67 3.11 0.10 1.83 1.01 -1.26 -4.95 121.20 118.37 1a5u s ILE 3118Ca 0.35 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.46 1a5u s ILE 3118Cb 0.03 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1a5u s ILE 3118CO 0.20 0.47 -0.16 -0.13 0.00 0.00 0.00 174.94 175.32 1a5u s ARG 3119N 1.08 0.98 0.88 2.79 1.81 -1.26 -1.06 118.95 124.16 1a5u s ARG 3119Ca 0.00 -1.12 -0.11 0.00 -1.72 0.00 0.00 55.73 52.78 1a5u s ARG 3119Cb -0.15 -1.01 0.17 0.00 -0.45 0.00 0.00 34.95 33.51 1a5u s ARG 3119CO -0.02 0.22 1.22 0.95 -0.68 0.00 0.00 175.30 176.99 1a5u s THR 3120N -1.56 2.05 0.00 0.02 -4.23 0.12 -1.51 115.64 110.53 1a5u s THR 3120Ca 0.04 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 1a5u s THR 3120Cb -0.08 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.89 1a5u s THR 3120CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1a5u n GLY 3121N -3.46 1.74 3.74 3.99 0.00 0.45 -3.63 105.19 108.01 1a5u n GLY 3121Ca 0.15 -1.99 -0.39 0.00 0.00 0.00 0.00 46.02 43.79 1a5u n GLY 3121CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a5u s LEU 3122N 0.00 4.35 -0.33 0.99 1.43 -0.93 -0.41 118.68 123.79 1a5u s LEU 3122Ca 0.00 1.07 -0.23 0.00 -1.03 0.00 0.00 54.13 53.94 1a5u s LEU 3122Cb 0.00 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.32 1a5u s LEU 3122CO 0.00 0.02 0.76 -0.63 0.23 0.00 0.00 176.35 176.73 1a5u s ILE 3123N 0.29 4.79 -1.52 -0.59 -1.09 -1.23 0.10 121.20 121.95 1a5u s ILE 3123Ca 0.31 1.01 -0.04 0.00 -2.23 0.00 0.00 60.65 59.70 1a5u s ILE 3123Cb -0.17 -4.15 0.04 0.00 -1.58 0.00 0.00 42.46 36.59 1a5u s ILE 3123CO 0.15 -0.31 0.35 0.29 -1.23 0.00 0.00 174.94 174.19 1a5u n LYS 3124N 6.24 -2.39 -1.63 2.79 5.02 -0.58 0.17 118.16 127.79 1a5u n LYS 3124Ca 0.03 0.29 -0.18 0.00 -2.02 0.00 0.00 58.31 56.43 1a5u n LYS 3124Cb 0.48 -4.32 -0.07 0.00 -0.02 0.00 0.00 35.03 31.11 1a5u n LYS 3124CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a5u n GLY 3125N -2.05 1.40 3.21 0.72 0.00 0.47 -4.97 105.19 103.97 1a5u n GLY 3125Ca -0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1a5u n GLY 3125CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a5u s SER 3126N -2.43 3.11 0.00 1.61 0.15 0.13 -4.99 113.70 111.27 1a5u s SER 3126Ca 0.00 -0.57 0.23 0.00 0.70 0.00 0.00 55.95 56.31 1a5u s SER 3126Cb 0.00 -1.42 1.33 0.00 -1.71 0.00 0.00 66.02 64.21 1a5u s SER 3126CO 0.00 0.14 1.76 0.61 1.20 0.00 0.00 173.24 176.95 1a5u n GLY 3127N 3.67 -0.82 0.00 9.45 0.00 -1.26 -3.08 105.19 113.14 1a5u n GLY 3127Ca -0.19 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1a5u n GLY 3127CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a5u n THR 3128N -1.08 0.00 -2.19 2.61 -2.24 -1.26 -4.62 114.28 105.50 1a5u n THR 3128Ca 0.16 -0.42 -0.30 0.00 -2.27 0.00 0.00 64.05 61.21 1a5u n THR 3128Cb 0.11 1.11 -0.00 0.00 -2.10 0.00 0.00 70.33 69.45 1a5u n THR 3128CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5u s ALA 3129N -0.24 3.19 0.05 6.98 0.00 -1.18 -4.94 121.76 125.63 1a5u s ALA 3129Ca 0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 51.96 51.66 1a5u s ALA 3129Cb 0.00 -2.94 0.02 0.00 0.00 0.00 0.00 23.12 20.20 1a5u s ALA 3129CO 0.00 -0.51 0.30 -1.83 0.00 0.00 0.00 175.76 173.72 1a5u s GLU 3130N -4.85 0.83 0.11 0.00 -1.05 -1.26 -3.30 118.70 109.19 1a5u s GLU 3130Ca 0.53 -0.57 0.07 0.00 -0.15 0.00 0.00 54.97 54.85 1a5u s GLU 3130Cb -0.11 0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 33.91 1a5u s GLU 3130CO 0.47 -0.27 -0.16 0.54 0.95 0.00 0.00 175.26 176.79 1a5u s VAL 3131N -2.79 1.46 -0.37 1.83 0.11 0.18 -4.91 120.40 115.91 1a5u s VAL 3131Ca -0.03 -1.63 -0.13 0.00 -2.93 0.00 0.00 61.98 57.25 1a5u s VAL 3131Cb -0.00 -1.50 -0.00 0.00 -1.53 0.00 0.00 36.38 33.35 1a5u s VAL 3131CO -0.05 -0.28 0.26 -0.70 -3.33 0.00 0.00 175.10 171.00 1a5u s GLU 3132N -2.33 3.25 0.36 1.54 2.12 -1.26 0.17 118.70 122.56 1a5u s GLU 3132Ca 0.07 -0.81 -0.22 0.00 0.36 0.00 0.00 54.97 54.37 1a5u s GLU 3132Cb -0.07 -3.86 -0.10 0.00 0.26 0.00 0.00 34.13 30.36 1a5u s GLU 3132CO 0.04 -0.57 0.90 -0.51 -0.54 0.00 0.00 175.26 174.57 1a5u s LEU 3133N 1.69 4.12 -0.02 2.70 1.02 0.53 -4.90 118.68 123.82 1a5u s LEU 3133Ca 0.05 1.65 0.08 0.00 0.02 0.00 0.00 54.13 55.93 1a5u s LEU 3133Cb -0.18 -4.22 -0.02 0.00 0.02 0.00 0.00 46.19 41.79 1a5u s LEU 3133CO 0.10 -0.21 -0.26 -0.54 0.02 0.00 0.00 176.35 175.46 1a5u s LYS 3134N -2.68 2.17 0.20 1.70 -0.14 -1.26 -1.84 119.74 117.89 1a5u s LYS 3134Ca 0.55 -0.92 -0.33 0.00 -1.36 0.00 0.00 55.97 53.91 1a5u s LYS 3134Cb -0.13 -2.06 -0.13 0.00 -1.68 0.00 0.00 37.83 33.83 1a5u s LYS 3134CO 0.18 0.54 1.56 1.17 -0.76 0.00 0.00 175.35 178.04 1a5u n LYS 3135N 2.50 2.27 0.00 1.68 4.81 -1.26 -0.55 118.16 127.61 1a5u n LYS 3135Ca -0.16 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 1a5u n LYS 3135Cb 0.51 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 32.99 1a5u n LYS 3135CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a5u n GLY 3136N 3.04 2.98 3.70 3.14 0.00 0.36 -4.95 105.19 113.46 1a5u n GLY 3136Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1a5u n GLY 3136CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u s ALA 3137N -1.85 1.84 -0.12 4.61 0.00 0.28 -4.48 121.76 122.03 1a5u s ALA 3137Ca 0.00 0.86 -0.07 0.00 0.00 0.00 0.00 51.96 52.75 1a5u s ALA 3137Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 1a5u s ALA 3137CO 0.00 -2.29 0.13 0.99 0.00 0.00 0.00 175.76 174.58 1a5u s THR 3138N -2.13 5.39 -0.03 0.00 2.01 -1.26 0.19 115.64 119.81 1a5u s THR 3138Ca 0.73 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.91 1a5u s THR 3138Cb -0.29 -3.35 0.02 0.00 0.01 0.00 0.00 72.50 68.89 1a5u s THR 3138CO 0.50 0.61 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.79 1a5u s LEU 3139N -0.91 1.31 -0.22 4.42 2.96 0.98 -4.84 118.68 122.38 1a5u s LEU 3139Ca 0.14 -0.08 -0.12 0.00 -0.22 0.00 0.00 54.13 53.86 1a5u s LEU 3139Cb -0.12 -0.33 -0.05 0.00 0.50 0.00 0.00 46.19 46.20 1a5u s LEU 3139CO 0.03 -0.07 0.20 -0.75 -1.32 0.00 0.00 176.35 174.45 1a5u s LYS 3140N 0.87 4.12 -0.20 1.98 2.20 -0.22 -0.91 119.74 127.58 1a5u s LYS 3140Ca -0.10 -0.16 -0.08 0.00 -0.36 0.00 0.00 55.97 55.26 1a5u s LYS 3140Cb -0.13 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 1a5u s LYS 3140CO -0.01 0.09 0.09 0.42 -0.36 0.00 0.00 175.35 175.58 1a5u s ILE 3141N 0.97 4.99 0.16 5.43 1.01 -0.41 0.17 121.20 133.52 1a5u s ILE 3141Ca 0.10 0.04 0.11 0.00 0.00 0.00 0.00 60.65 60.90 1a5u s ILE 3141Cb -0.13 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 1a5u s ILE 3141CO 0.04 0.43 -0.25 -0.89 0.00 0.00 0.00 174.94 174.27 1a5u s THR 3142N 0.55 2.25 -0.61 2.92 2.01 -0.27 -0.59 115.64 121.88 1a5u s THR 3142Ca 0.05 -1.87 0.22 0.00 0.31 0.00 0.00 61.69 60.41 1a5u s THR 3142Cb -0.12 -2.02 -0.19 0.00 0.01 0.00 0.00 72.50 70.18 1a5u s THR 3142CO 0.01 -0.02 0.89 0.18 -0.69 0.00 0.00 174.62 174.99 1a5u n LEU 3143N 0.63 0.60 -4.56 4.42 4.32 0.02 -2.89 117.00 119.54 1a5u n LEU 3143Ca -0.16 -0.15 -0.38 0.00 -0.02 0.00 0.00 56.01 55.30 1a5u n LEU 3143Cb 0.54 -0.05 -0.03 0.00 -1.62 0.00 0.00 43.42 42.26 1a5u n LEU 3143CO 0.26 0.09 1.94 -0.62 -1.22 0.00 0.00 177.39 177.84 1a5u s ASP 3144N -3.76 4.78 0.00 -1.43 -1.08 -1.26 -4.82 116.67 109.09 1a5u s ASP 3144Ca 0.03 1.23 0.00 0.00 -0.52 0.00 0.00 52.55 53.29 1a5u s ASP 3144Cb 0.15 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 1a5u s ASP 3144CO 0.84 -2.59 0.60 0.59 0.52 0.00 0.00 175.17 175.12 1a5u n ASN 3145N 14.52 0.00 0.03 -0.34 5.03 -1.26 0.68 115.26 133.92 1a5u n ASN 3145Ca 0.33 0.17 0.13 0.00 0.87 0.00 0.00 54.58 56.09 1a5u n ASN 3145Cb 0.52 -0.17 0.41 0.00 -1.02 0.00 0.00 39.78 39.51 1a5u n ASN 3145CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a5u n ALA 3146N -1.10 2.76 0.97 5.41 0.00 -1.26 -2.62 120.51 124.68 1a5u n ALA 3146Ca 0.00 -0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.37 1a5u n ALA 3146Cb 0.17 -1.32 0.02 0.00 0.00 0.00 0.00 19.45 18.32 1a5u n ALA 3146CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a5u n TYR 3147N -1.73 0.00 -0.31 0.00 4.01 0.21 -4.62 117.16 114.73 1a5u n TYR 3147Ca 0.06 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.74 1a5u n TYR 3147Cb 0.37 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.36 1a5u n TYR 3147CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 1a5u n MET 3148N 0.35 -0.27 -0.84 -0.72 1.56 -1.08 0.06 117.12 116.18 1a5u n MET 3148Ca 0.10 1.14 -0.04 0.00 -0.27 0.00 0.00 57.70 58.63 1a5u n MET 3148Cb 0.49 -1.68 0.19 0.00 2.15 0.00 0.00 33.22 34.37 1a5u n MET 3148CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1a5u n GLU 3149N -5.00 1.86 -1.88 2.12 1.02 -1.26 -2.18 120.64 115.32 1a5u n GLU 3149Ca 0.04 -3.26 -0.07 0.00 -0.02 0.00 0.00 57.16 53.85 1a5u n GLU 3149Cb 0.23 -1.81 0.07 0.00 -0.02 0.00 0.00 31.44 29.91 1a5u n GLU 3149CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1a5u n LYS 3150N -1.11 2.11 -2.08 3.49 5.02 0.11 -0.39 118.16 125.30 1a5u n LYS 3150Ca 0.32 -3.47 -0.33 0.00 -2.02 0.00 0.00 58.31 52.82 1a5u n LYS 3150Cb 0.98 -1.60 0.01 0.00 -0.02 0.00 0.00 35.03 34.39 1a5u n LYS 3150CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a5u n ASP 3152N -2.00 0.00 0.00 0.00 5.68 -0.39 -1.53 116.55 118.31 1a5u n ASP 3152Ca 0.08 -0.72 0.07 0.00 -0.50 0.00 0.00 54.79 53.72 1a5u n ASP 3152Cb 0.53 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 40.93 1a5u n ASP 3152CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1a5u n GLU 3153N 0.00 0.55 -0.01 0.11 0.00 -1.26 -3.34 120.64 116.69 1a5u n GLU 3153Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.15 1a5u n GLU 3153Cb 0.00 -1.40 -0.01 0.00 0.00 0.00 0.00 31.44 30.03 1a5u n GLU 3153CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1a5u n ASN 3154N -0.90 3.94 -4.29 -1.84 5.03 -1.26 -4.81 115.26 111.13 1a5u n ASN 3154Ca 0.11 -0.01 -0.31 0.00 0.87 0.00 0.00 54.58 55.23 1a5u n ASN 3154Cb 0.05 0.05 -0.16 0.00 -1.02 0.00 0.00 39.78 38.70 1a5u n ASN 3154CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a5u s ILE 3155N -2.04 2.09 -0.23 2.41 1.01 -1.21 -1.05 121.20 122.18 1a5u s ILE 3155Ca -0.03 -1.06 -0.00 0.00 0.00 0.00 0.00 60.65 59.56 1a5u s ILE 3155Cb 0.01 -1.75 0.06 0.00 0.01 0.00 0.00 42.46 40.79 1a5u s ILE 3155CO 0.05 0.57 -0.01 -0.22 0.00 0.00 0.00 174.94 175.34 1a5u s LEU 3156N -0.29 2.18 0.14 2.97 0.20 0.45 -1.27 118.68 123.07 1a5u s LEU 3156Ca 0.00 -1.14 -0.28 0.00 0.69 0.00 0.00 54.13 53.41 1a5u s LEU 3156Cb -0.13 -0.98 -0.07 0.00 -0.43 0.00 0.00 46.19 44.58 1a5u s LEU 3156CO 0.02 -0.28 0.86 0.86 -0.29 0.00 0.00 176.35 177.53 1a5u s TRP 3157N 1.54 3.87 -0.01 5.38 -0.00 -1.26 -1.12 118.94 127.34 1a5u s TRP 3157Ca -0.02 1.71 0.02 0.00 -0.00 0.00 0.00 56.10 57.81 1a5u s TRP 3157Cb -0.18 -2.91 -0.00 0.00 -0.00 0.00 0.00 33.47 30.38 1a5u s TRP 3157CO -0.08 0.37 -0.08 -1.17 -0.00 0.00 0.00 176.95 175.99 1a5u s LEU 3158N -0.61 1.92 0.00 5.86 2.96 -1.14 -0.41 118.68 127.25 1a5u s LEU 3158Ca 0.41 -0.15 0.18 0.00 -0.22 0.00 0.00 54.13 54.35 1a5u s LEU 3158Cb -0.23 -0.43 0.83 0.00 0.50 0.00 0.00 46.19 46.86 1a5u s LEU 3158CO 0.28 0.08 1.57 -0.90 -1.32 0.00 0.00 176.35 176.06 1a5u n ASP 3159N 3.05 0.95 -4.44 3.68 5.68 -0.57 -4.71 116.55 120.20 1a5u n ASP 3159Ca -0.15 -1.63 -0.44 0.00 -0.50 0.00 0.00 54.79 52.07 1a5u n ASP 3159Cb 0.56 -0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 40.44 1a5u n ASP 3159CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1a5u s TYR 3160N -1.87 2.99 0.49 2.11 5.04 -1.26 -4.91 117.35 119.94 1a5u s TYR 3160Ca 0.29 -1.13 0.20 0.00 -2.44 0.00 0.00 57.07 53.99 1a5u s TYR 3160Cb 0.14 -4.25 1.23 0.00 0.35 0.00 0.00 41.96 39.43 1a5u s TYR 3160CO 0.23 -1.51 2.00 0.87 -1.34 0.00 0.00 175.55 175.79 1a5u h LYS 3161N 9.06 0.17 0.00 4.97 1.79 -1.97 -0.98 116.57 129.60 1a5u h LYS 3161Ca -0.01 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1a5u h LYS 3161Cb 1.04 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 1a5u h LYS 3161CO 1.12 0.11 -0.14 -1.71 -1.08 0.00 0.00 179.45 177.76 1a5u n ASN 3162N -4.43 0.25 -4.56 0.86 4.05 -1.26 -4.66 115.26 105.50 1a5u n ASN 3162Ca 0.09 0.34 -0.28 0.00 0.45 0.00 0.00 54.58 55.18 1a5u n ASN 3162Cb 0.48 -0.35 -0.05 0.00 1.23 0.00 0.00 39.78 41.09 1a5u n ASN 3162CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1a5u s ILE 3163N -3.02 3.51 0.00 -1.44 2.07 -0.38 -1.18 121.20 120.76 1a5u s ILE 3163Ca 0.13 -0.50 0.00 0.00 -1.41 0.00 0.00 60.65 58.86 1a5u s ILE 3163Cb 0.17 -4.19 0.00 0.00 0.13 0.00 0.00 42.46 38.58 1a5u s ILE 3163CO 0.58 -1.04 0.00 0.00 -1.91 0.00 0.00 174.94 172.57 1a5u n LYS 3165N -0.32 2.34 0.00 0.00 2.85 -0.33 -4.09 118.16 118.61 1a5u n LYS 3165Ca 0.00 -0.47 0.07 0.00 -1.05 0.00 0.00 58.31 56.86 1a5u n LYS 3165Cb 0.00 -1.11 -0.03 0.00 -0.65 0.00 0.00 35.03 33.23 1a5u n LYS 3165CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1a5u n VAL 3166N -0.53 0.00 -4.55 0.58 0.31 -1.23 -4.98 118.33 107.93 1a5u n VAL 3166Ca 0.04 -0.28 -0.22 0.00 -0.01 0.00 0.00 64.34 63.87 1a5u n VAL 3166Cb 0.23 1.10 -0.14 0.00 -0.91 0.00 0.00 33.84 34.11 1a5u n VAL 3166CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1a5u s VAL 3167N -1.95 1.11 0.49 2.52 0.11 -1.26 -4.63 120.40 116.80 1a5u s VAL 3167Ca 0.09 -0.73 0.06 0.00 -2.93 0.00 0.00 61.98 58.47 1a5u s VAL 3167Cb 0.11 -0.96 0.01 0.00 -1.53 0.00 0.00 36.38 34.01 1a5u s VAL 3167CO 0.44 0.21 0.33 -1.81 -3.33 0.00 0.00 175.10 170.95 1a5u s ASP 3168N -0.59 4.64 0.16 3.54 1.11 -1.26 -4.76 116.67 119.50 1a5u s ASP 3168Ca 0.04 -1.15 -0.30 0.00 0.18 0.00 0.00 52.55 51.32 1a5u s ASP 3168Cb -0.06 0.07 -0.08 0.00 1.07 0.00 0.00 42.92 43.92 1a5u s ASP 3168CO 0.00 -0.90 1.27 -0.69 1.18 0.00 0.00 175.17 176.03 1a5u s VAL 3169N -2.69 3.45 0.00 -1.27 1.01 -1.26 -2.11 120.40 117.53 1a5u s VAL 3169Ca 0.36 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.50 1a5u s VAL 3169Cb -0.01 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1a5u s VAL 3169CO 0.22 0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1a5u n GLY 3170N 2.59 0.71 3.81 4.51 0.00 0.56 -4.98 105.19 112.40 1a5u n GLY 3170Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1a5u n GLY 3170CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5u s SER 3171N -2.96 4.41 -0.17 1.61 0.01 -0.90 -4.71 113.70 111.00 1a5u s SER 3171Ca 0.00 1.19 -0.01 0.00 1.31 0.00 0.00 55.95 58.44 1a5u s SER 3171Cb 0.00 -1.89 -0.00 0.00 0.21 0.00 0.00 66.02 64.33 1a5u s SER 3171CO 0.00 -2.01 -0.12 -0.54 0.41 0.00 0.00 173.24 170.99 1a5u s LYS 3172N -5.22 3.29 -0.16 12.44 3.01 -1.25 -0.80 119.74 131.05 1a5u s LYS 3172Ca 0.61 -0.70 -0.03 0.00 -1.01 0.00 0.00 55.97 54.84 1a5u s LYS 3172Cb -0.14 -2.74 -0.02 0.00 -1.01 0.00 0.00 37.83 33.92 1a5u s LYS 3172CO 0.53 -0.02 -0.05 0.08 0.51 0.00 0.00 175.35 176.40 1a5u s VAL 3173N 0.94 3.71 -0.06 3.17 1.01 0.47 -4.79 120.40 124.85 1a5u s VAL 3173Ca -0.02 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 1a5u s VAL 3173Cb -0.15 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1a5u s VAL 3173CO -0.01 0.49 0.04 -0.31 0.00 0.00 0.00 175.10 175.31 1a5u s TYR 3174N 0.45 3.23 -0.09 5.22 2.02 -0.92 -0.61 117.35 126.65 1a5u s TYR 3174Ca -0.05 0.22 0.03 0.00 -0.37 0.00 0.00 57.07 56.91 1a5u s TYR 3174Cb -0.15 -1.78 0.01 0.00 -0.40 0.00 0.00 41.96 39.64 1a5u s TYR 3174CO 0.03 0.52 -0.18 0.08 -1.57 0.00 0.00 175.55 174.43 1a5u s VAL 3175N -0.99 1.63 -0.53 0.71 1.01 -0.06 -1.52 120.40 120.64 1a5u s VAL 3175Ca 0.16 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 1a5u s VAL 3175Cb -0.12 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 1a5u s VAL 3175CO 0.06 0.47 0.50 -0.67 0.00 0.00 0.00 175.10 175.45 1a5u n ASP 3176N 3.70 -5.92 -2.97 3.32 2.03 0.34 -1.30 116.55 115.75 1a5u n ASP 3176Ca -0.21 -0.10 -0.21 0.00 0.52 0.00 0.00 54.79 54.80 1a5u n ASP 3176Cb 0.52 -3.95 0.01 0.00 -0.72 0.00 0.00 41.12 36.98 1a5u n ASP 3176CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1a5u n ASP 3177N -1.66 -5.16 0.00 1.67 8.00 -1.26 -0.71 116.55 117.44 1a5u n ASP 3177Ca -0.01 -0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.27 1a5u n ASP 3177Cb 0.51 -4.23 0.00 0.00 -0.02 0.00 0.00 41.12 37.38 1a5u n ASP 3177CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a5u n GLY 3178N -1.28 0.72 0.22 0.44 0.00 -1.25 -4.73 105.19 99.33 1a5u n GLY 3178Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 1a5u n GLY 3178CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a5u h LEU 3179N 0.00 0.17 -8.78 0.99 5.85 -0.64 -3.40 115.31 109.49 1a5u h LEU 3179Ca 0.00 0.08 -0.65 0.00 0.84 0.00 0.00 57.88 58.15 1a5u h LEU 3179Cb 0.04 0.07 -0.23 0.00 0.37 0.00 0.00 40.66 40.91 1a5u h LEU 3179CO 0.00 0.11 -0.71 -0.63 -0.34 0.00 0.00 178.44 176.87 1a5u s ILE 3180N -6.11 3.56 -0.17 4.05 -1.09 -0.42 -4.97 121.20 116.06 1a5u s ILE 3180Ca -0.13 -0.48 -0.05 0.00 -2.23 0.00 0.00 60.65 57.76 1a5u s ILE 3180Cb 0.16 -2.53 -0.03 0.00 -1.58 0.00 0.00 42.46 38.48 1a5u s ILE 3180CO 0.74 0.51 0.00 -0.55 -1.23 0.00 0.00 174.94 174.42 1a5u s SER 3181N 0.25 5.09 -0.10 3.58 0.15 -1.26 -0.88 113.70 120.52 1a5u s SER 3181Ca -0.05 -0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.56 1a5u s SER 3181Cb -0.15 -1.85 -0.01 0.00 -1.71 0.00 0.00 66.02 62.31 1a5u s SER 3181CO 0.04 0.15 -0.22 -0.76 1.20 0.00 0.00 173.24 173.65 1a5u s LEU 3182N 0.48 2.22 -0.22 3.45 1.43 0.22 -1.34 118.68 124.92 1a5u s LEU 3182Ca -0.01 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.55 1a5u s LEU 3182Cb -0.14 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 1a5u s LEU 3182CO 0.02 0.18 -0.01 -1.58 0.23 0.00 0.00 176.35 175.19 1a5u s GLN 3183N 0.22 3.50 -0.27 1.70 0.74 -1.06 0.18 119.66 124.67 1a5u s GLN 3183Ca -0.14 -0.57 -0.29 0.00 0.05 0.00 0.00 55.36 54.42 1a5u s GLN 3183Cb -0.17 -3.09 -0.02 0.00 1.10 0.00 0.00 33.01 30.83 1a5u s GLN 3183CO 0.07 -0.13 1.67 0.08 -0.55 0.00 0.00 175.29 176.43 1a5u s VAL 3184N 1.36 3.63 -0.22 1.34 1.01 0.02 -1.17 120.40 126.36 1a5u s VAL 3184Ca 0.04 0.68 0.08 0.00 0.00 0.00 0.00 61.98 62.78 1a5u s VAL 3184Cb -0.15 -3.71 -0.19 0.00 0.00 0.00 0.00 36.38 32.33 1a5u s VAL 3184CO -0.00 -0.37 -0.11 0.29 0.00 0.00 0.00 175.10 174.92 1a5u n LYS 3185N 7.96 0.71 -3.79 2.72 4.76 0.42 0.21 118.16 131.14 1a5u n LYS 3185Ca 0.20 0.08 -0.13 0.00 -2.87 0.00 0.00 58.31 55.60 1a5u n LYS 3185Cb 0.46 -1.49 -0.12 0.00 -1.84 0.00 0.00 35.03 32.03 1a5u n LYS 3185CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1a5u s GLN 3186N -2.48 0.22 0.10 1.97 0.74 -0.02 -4.83 119.66 115.36 1a5u s GLN 3186Ca -0.24 0.31 0.04 0.00 0.05 0.00 0.00 55.36 55.53 1a5u s GLN 3186Cb 0.07 0.07 -0.04 0.00 1.10 0.00 0.00 33.01 34.21 1a5u s GLN 3186CO 0.66 -0.05 0.03 0.15 -0.55 0.00 0.00 175.29 175.53 1a5u s LYS 3187N 0.31 2.66 0.00 1.67 1.02 -1.26 0.30 119.74 124.45 1a5u s LYS 3187Ca -0.02 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.16 1a5u s LYS 3187Cb -0.03 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 1a5u s LYS 3187CO -0.01 0.54 0.00 0.41 -0.92 0.00 0.00 175.35 175.36 1a5u n GLY 3188N 0.40 4.58 0.10 -3.33 0.00 0.27 -4.90 105.19 102.32 1a5u n GLY 3188Ca -0.10 -1.96 -0.15 0.00 0.00 0.00 0.00 46.02 43.81 1a5u n GLY 3188CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5u h PRO 3189N 0.00 0.21 -0.10 1.61 0.13 -2.00 -3.37 132.00 128.49 1a5u h PRO 3189Ca 0.00 -0.36 -0.18 0.00 -0.87 0.00 0.00 66.00 64.59 1a5u h PRO 3189Cb 0.00 0.14 -0.34 0.00 0.13 0.00 0.00 31.00 30.92 1a5u h PRO 3189CO 0.00 1.10 -0.97 -0.40 -0.23 0.00 0.00 178.00 177.50 1a5u n ASP 3190N -3.44 1.32 -3.66 1.44 5.75 -1.26 -5.06 116.55 111.64 1a5u n ASP 3190Ca -0.12 -2.32 -0.02 0.00 -0.01 0.00 0.00 54.79 52.32 1a5u n ASP 3190Cb 1.03 -0.36 -0.01 0.00 -1.03 0.00 0.00 41.12 40.74 1a5u n ASP 3190CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1a5u s PHE 3191N -1.19 -0.13 -0.03 2.11 -0.71 -1.26 -0.80 117.98 115.97 1a5u s PHE 3191Ca 0.34 -0.06 0.02 0.00 -1.04 0.00 0.00 56.93 56.19 1a5u s PHE 3191Cb 0.38 0.58 0.01 0.00 -1.21 0.00 0.00 43.02 42.78 1a5u s PHE 3191CO -0.13 -0.52 -0.06 -0.51 -1.34 0.00 0.00 175.22 172.66 1a5u s LEU 3192N -2.81 1.58 -0.19 -1.99 2.01 0.24 0.98 118.68 118.50 1a5u s LEU 3192Ca 0.12 -0.13 -0.14 0.00 0.01 0.00 0.00 54.13 53.99 1a5u s LEU 3192Cb 0.01 -0.43 -0.04 0.00 0.01 0.00 0.00 46.19 45.73 1a5u s LEU 3192CO -0.02 -0.00 0.29 -0.69 1.01 0.00 0.00 176.35 176.94 1a5u s VAL 3193N 0.52 5.29 0.18 -1.59 1.01 0.88 -1.28 120.40 125.40 1a5u s VAL 3193Ca -0.07 0.52 0.05 0.00 0.00 0.00 0.00 61.98 62.48 1a5u s VAL 3193Cb -0.11 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1a5u s VAL 3193CO 0.00 0.35 -0.08 0.42 0.00 0.00 0.00 175.10 175.79 1a5u s THR 3194N 0.78 1.22 -0.12 3.92 -4.23 -0.09 -0.44 115.64 116.68 1a5u s THR 3194Ca 0.15 -2.08 0.03 0.00 -1.18 0.00 0.00 61.69 58.62 1a5u s THR 3194Cb -0.13 -2.00 0.01 0.00 1.34 0.00 0.00 72.50 71.71 1a5u s THR 3194CO 0.05 -0.62 -0.23 -0.70 -0.54 0.00 0.00 174.62 172.58 1a5u s GLU 3195N -3.76 3.03 -0.25 3.99 2.12 -0.32 -0.02 118.70 123.50 1a5u s GLU 3195Ca 0.20 -0.86 -0.28 0.00 0.36 0.00 0.00 54.97 54.39 1a5u s GLU 3195Cb 0.03 -2.38 -0.04 0.00 0.26 0.00 0.00 34.13 32.00 1a5u s GLU 3195CO 0.03 0.07 2.05 0.08 -0.54 0.00 0.00 175.26 176.96 1a5u s VAL 3196N 0.62 3.19 -0.03 3.70 1.01 0.50 -2.56 120.40 126.82 1a5u s VAL 3196Ca -0.12 0.19 0.19 0.00 0.00 0.00 0.00 61.98 62.24 1a5u s VAL 3196Cb -0.17 -3.24 0.14 0.00 0.00 0.00 0.00 36.38 33.11 1a5u s VAL 3196CO 0.03 -0.15 1.62 -0.33 0.00 0.00 0.00 175.10 176.26 1a5u h GLU 3197N 14.11 0.00 -2.20 2.72 5.08 -1.52 1.05 114.58 133.83 1a5u h GLU 3197Ca -0.39 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.92 1a5u h GLU 3197Cb 1.21 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.24 1a5u h GLU 3197CO 0.98 0.37 0.01 0.54 -1.00 0.00 0.00 179.01 179.92 1a5u s ASN 3198N -6.36 -0.69 0.81 1.42 2.20 -1.25 -4.73 114.94 106.33 1a5u s ASN 3198Ca 0.02 1.29 -0.11 0.00 -0.94 0.00 0.00 52.86 53.12 1a5u s ASN 3198Cb 0.09 1.28 0.07 0.00 -2.00 0.00 0.00 41.25 40.70 1a5u s ASN 3198CO 0.70 -0.22 1.10 -0.83 -2.94 0.00 0.00 177.10 174.90 1a5u s GLY 3199N 0.54 1.62 0.00 0.45 0.00 -1.26 -4.57 107.32 104.10 1a5u s GLY 3199Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.52 1a5u s GLY 3199CO -0.02 0.25 0.00 0.61 0.00 0.00 0.00 173.10 173.94 1a5u n GLY 3200N -1.99 0.02 3.55 0.20 0.00 -0.77 -4.94 105.19 101.27 1a5u n GLY 3200Ca 0.07 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 1a5u n GLY 3200CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a5u s PHE 3201N -2.00 3.18 -0.10 1.61 0.08 -1.26 0.20 117.98 119.69 1a5u s PHE 3201Ca 0.00 0.16 -0.21 0.00 0.12 0.00 0.00 56.93 57.00 1a5u s PHE 3201Cb 0.00 -2.93 -0.04 0.00 -0.57 0.00 0.00 43.02 39.48 1a5u s PHE 3201CO 0.00 -0.55 0.59 -1.17 -0.10 0.00 0.00 175.22 173.99 1a5u s LEU 3202N 2.40 4.29 0.00 -0.37 2.96 0.45 -4.84 118.68 123.56 1a5u s LEU 3202Ca 0.19 0.99 0.00 0.00 -0.22 0.00 0.00 54.13 55.09 1a5u s LEU 3202Cb -0.15 -2.89 0.00 0.00 0.50 0.00 0.00 46.19 43.65 1a5u s LEU 3202CO 0.13 -0.07 0.00 0.61 -1.32 0.00 0.00 176.35 175.70 1a5u n GLY 3203N 3.22 4.37 3.84 7.98 0.00 -1.26 0.49 105.19 123.84 1a5u n GLY 3203Ca -0.04 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.48 1a5u n GLY 3203CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5u s SER 3204N -0.55 6.80 -1.19 1.61 0.01 -1.21 -4.44 113.70 114.73 1a5u s SER 3204Ca 0.00 0.98 -0.05 0.00 1.31 0.00 0.00 55.95 58.19 1a5u s SER 3204Cb 0.00 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.96 1a5u s SER 3204CO 0.00 0.22 0.83 0.29 0.41 0.00 0.00 173.24 174.99 1a5u n LYS 3205N 1.29 -3.94 -3.35 12.44 5.02 0.45 -4.97 118.16 125.10 1a5u n LYS 3205Ca -0.10 0.70 -0.33 0.00 -2.02 0.00 0.00 58.31 56.56 1a5u n LYS 3205Cb 0.52 -5.29 -0.06 0.00 -0.02 0.00 0.00 35.03 30.18 1a5u n LYS 3205CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1a5u s LYS 3206N -5.46 3.90 0.26 1.97 -0.14 -1.26 -4.64 119.74 114.37 1a5u s LYS 3206Ca 0.20 0.41 -0.30 0.00 -1.36 0.00 0.00 55.97 54.92 1a5u s LYS 3206Cb -0.04 -2.70 -0.09 0.00 -1.68 0.00 0.00 37.83 33.31 1a5u s LYS 3206CO 0.79 0.34 1.14 0.20 -0.76 0.00 0.00 175.35 177.05 1a5u s GLY 3207N -2.15 2.97 -0.15 -3.33 0.00 -1.26 0.13 107.32 103.52 1a5u s GLY 3207Ca 0.46 0.94 -0.01 0.00 0.00 0.00 0.00 44.72 46.10 1a5u s GLY 3207CO 0.20 1.62 -0.11 0.14 0.00 0.00 0.00 173.10 174.95 1a5u s VAL 3208N -0.88 3.13 -0.14 1.40 1.01 -0.23 0.13 120.40 124.82 1a5u s VAL 3208Ca 0.47 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1a5u s VAL 3208Cb -0.33 -2.35 -0.00 0.00 0.00 0.00 0.00 36.38 33.71 1a5u s VAL 3208CO 0.41 0.50 -0.18 0.20 0.00 0.00 0.00 175.10 176.03 1a5u s ASN 3209N 0.65 3.49 -0.53 3.32 0.01 -0.58 -4.48 114.94 116.83 1a5u s ASN 3209Ca -0.06 -0.50 0.06 0.00 -0.71 0.00 0.00 52.86 51.65 1a5u s ASN 3209Cb -0.15 -1.52 0.36 0.00 0.41 0.00 0.00 41.25 40.35 1a5u s ASN 3209CO 0.02 0.10 0.98 0.18 -1.51 0.00 0.00 177.10 176.88 1a5u n LEU 3210N 3.93 4.31 -3.20 0.60 4.77 -1.26 -2.16 117.00 123.99 1a5u n LEU 3210Ca -0.19 -5.49 -0.43 0.00 -0.03 0.00 0.00 56.01 49.86 1a5u n LEU 3210Cb 0.52 -0.45 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 1a5u n LEU 3210CO 0.28 2.31 1.34 -0.81 -1.33 0.00 0.00 177.39 179.18 1a5u n PRO 3211N -0.28 0.00 0.00 3.23 -0.04 -1.26 -0.25 135.00 136.40 1a5u n PRO 3211Ca 0.32 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1a5u n PRO 3211Cb 0.48 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1a5u n PRO 3211CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a5u n GLY 3212N 5.52 3.36 3.81 0.55 0.00 -1.26 -5.07 105.19 112.11 1a5u n GLY 3212Ca 0.42 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.12 1a5u n GLY 3212CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u s ALA 3213N -2.91 2.76 -1.14 4.61 0.00 0.66 -4.98 121.76 120.76 1a5u s ALA 3213Ca 0.00 0.28 -0.12 0.00 0.00 0.00 0.00 51.96 52.12 1a5u s ALA 3213Cb 0.00 -3.20 0.21 0.00 0.00 0.00 0.00 23.12 20.13 1a5u s ALA 3213CO 0.00 -0.86 1.27 0.00 0.00 0.00 0.00 175.76 176.17 1a5u s ALA 3214N -2.64 4.26 -0.02 0.00 0.00 -1.26 -4.98 121.76 117.12 1a5u s ALA 3214Ca 0.61 -3.52 -0.27 0.00 0.00 0.00 0.00 51.96 48.79 1a5u s ALA 3214Cb -0.15 -3.89 -0.03 0.00 0.00 0.00 0.00 23.12 19.05 1a5u s ALA 3214CO 0.41 -2.55 0.85 0.08 0.00 0.00 0.00 175.76 174.56 1a5u s VAL 3215N 0.49 4.92 -0.36 0.00 1.01 -1.26 -4.93 120.40 120.27 1a5u s VAL 3215Ca 0.37 1.79 -0.06 0.00 0.00 0.00 0.00 61.98 64.07 1a5u s VAL 3215Cb -0.06 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.19 1a5u s VAL 3215CO -0.04 0.21 0.15 -0.62 0.00 0.00 0.00 175.10 174.80 1a5u s ASP 3216N 0.83 5.34 0.01 3.32 2.15 -1.26 -5.05 116.67 122.02 1a5u s ASP 3216Ca 0.45 -1.37 -0.01 0.00 0.43 0.00 0.00 52.55 52.05 1a5u s ASP 3216Cb -0.20 -1.88 -0.01 0.00 -0.30 0.00 0.00 42.92 40.53 1a5u s ASP 3216CO 0.24 -0.40 -0.01 -0.76 -0.17 0.00 0.00 175.17 174.07 1a5u s LEU 3217N 1.35 2.12 0.38 -1.34 1.43 -1.26 -5.10 118.68 116.26 1a5u s LEU 3217Ca 0.01 -0.37 -0.24 0.00 -1.03 0.00 0.00 54.13 52.50 1a5u s LEU 3217Cb -0.21 0.13 -0.10 0.00 0.03 0.00 0.00 46.19 46.05 1a5u s LEU 3217CO 0.01 -0.24 1.00 -2.16 0.23 0.00 0.00 176.35 175.19 1a5u s PRO 3218N -1.15 4.31 0.12 1.29 0.04 -1.26 -4.94 135.00 133.41 1a5u s PRO 3218Ca -0.13 1.39 -0.24 0.00 0.04 0.00 0.00 61.00 62.06 1a5u s PRO 3218Cb -0.08 -2.57 -0.07 0.00 0.04 0.00 0.00 34.50 31.82 1a5u s PRO 3218CO -0.01 0.02 1.67 0.00 0.04 0.00 0.00 177.00 178.72 1a5u h ALA 3219N 2.63 -0.22 -3.82 8.56 0.00 -1.97 -3.36 119.26 121.09 1a5u h ALA 3219Ca -0.48 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.78 1a5u h ALA 3219Cb 1.20 0.30 -0.37 0.00 0.00 0.00 0.00 17.79 18.92 1a5u h ALA 3219CO 0.63 -0.67 -0.79 0.08 0.00 0.00 0.00 179.25 178.50 1a5u s VAL 3220N -6.12 2.07 0.71 0.00 1.01 -1.26 -4.37 120.40 112.44 1a5u s VAL 3220Ca -0.15 -1.60 -0.03 0.00 0.00 0.00 0.00 61.98 60.20 1a5u s VAL 3220Cb 0.09 -2.22 0.11 0.00 0.00 0.00 0.00 36.38 34.36 1a5u s VAL 3220CO 0.66 -0.07 0.99 -0.94 0.00 0.00 0.00 175.10 175.74 1a5u s SER 3221N 1.14 4.45 0.08 3.32 1.04 -1.26 -4.88 113.70 117.59 1a5u s SER 3221Ca -0.08 -0.13 -0.23 0.00 0.48 0.00 0.00 55.95 55.99 1a5u s SER 3221Cb -0.20 -0.34 -0.15 0.00 0.10 0.00 0.00 66.02 65.43 1a5u s SER 3221CO -0.05 -1.79 1.71 1.05 0.98 0.00 0.00 173.24 175.14 1a5u h GLU 3222N -0.54 -0.01 -0.76 4.02 4.11 -1.99 0.33 114.58 119.73 1a5u h GLU 3222Ca -0.39 0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.15 1a5u h GLU 3222Cb 1.28 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.45 1a5u h GLU 3222CO 0.45 0.02 0.38 0.87 0.07 0.00 0.00 179.01 180.80 1a5u h LYS 3223N -0.04 0.60 0.14 1.06 1.57 -2.00 -0.84 116.57 117.06 1a5u h LYS 3223Ca -0.00 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1a5u h LYS 3223Cb 0.04 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 1a5u h LYS 3223CO 0.00 0.39 -0.37 -0.44 -0.57 0.00 0.00 179.45 178.46 1a5u h ASP 3224N 0.61 -1.08 -0.83 0.86 3.32 -1.77 -1.15 116.42 116.38 1a5u h ASP 3224Ca 0.38 0.12 0.19 0.00 0.02 0.00 0.00 57.03 57.75 1a5u h ASP 3224Cb 0.45 0.41 -0.12 0.00 0.22 0.00 0.00 39.33 40.29 1a5u h ASP 3224CO -0.30 -0.46 0.29 0.40 -1.72 0.00 0.00 179.24 177.46 1a5u h ILE 3225N -0.62 0.49 -0.17 0.35 1.08 0.98 -0.86 117.51 118.76 1a5u h ILE 3225Ca 0.02 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 64.37 1a5u h ILE 3225Cb 0.64 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 1a5u h ILE 3225CO -0.21 0.06 0.08 1.56 -0.69 0.00 0.00 178.15 178.96 1a5u h GLN 3226N 0.34 0.25 -0.77 2.37 1.08 -0.68 -1.51 115.11 116.19 1a5u h GLN 3226Ca 0.50 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.64 1a5u h GLN 3226Cb 0.90 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 28.25 1a5u h GLN 3226CO -0.53 0.29 0.42 -0.44 -0.95 0.00 0.00 178.83 177.63 1a5u h ASP 3227N 0.15 0.97 -0.31 1.46 3.32 -0.49 -1.13 116.42 120.39 1a5u h ASP 3227Ca 0.06 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.02 1a5u h ASP 3227Cb 0.13 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1a5u h ASP 3227CO -0.01 0.79 0.18 -0.07 -1.72 0.00 0.00 179.24 178.42 1a5u h LEU 3228N 1.07 0.30 -0.84 1.55 3.38 -0.94 0.35 115.31 120.17 1a5u h LEU 3228Ca 0.27 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 1a5u h LEU 3228Cb 0.04 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1a5u h LEU 3228CO -0.04 0.22 0.18 0.11 0.09 0.00 0.00 178.44 178.99 1a5u h LYS 3229N 0.38 1.04 -0.35 1.13 1.57 -1.13 0.13 116.57 119.34 1a5u h LYS 3229Ca 0.12 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1a5u h LYS 3229Cb -0.00 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1a5u h LYS 3229CO -0.06 0.91 0.19 0.35 -0.57 0.00 0.00 179.45 180.27 1a5u h PHE 3230N 0.99 0.48 -0.80 -1.35 3.04 -0.44 0.80 116.94 119.66 1a5u h PHE 3230Ca 0.21 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.18 1a5u h PHE 3230Cb 0.33 -0.15 -0.05 0.00 2.56 0.00 0.00 35.95 38.64 1a5u h PHE 3230CO 0.02 0.38 0.51 0.78 -2.02 0.00 0.00 178.31 177.99 1a5u h GLY 3231N 0.44 1.15 1.12 2.40 0.00 0.33 0.26 103.07 108.76 1a5u h GLY 3231Ca 0.12 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 1a5u h GLY 3231CO -0.02 0.35 0.20 -2.08 0.00 0.00 0.00 176.54 174.98 1a5u h VAL 3232N 1.01 1.26 0.00 4.60 2.07 0.25 -1.64 116.25 123.80 1a5u h VAL 3232Ca 0.31 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 1a5u h VAL 3232Cb -0.02 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1a5u h VAL 3232CO -0.10 0.36 -0.09 -0.33 0.02 0.00 0.00 177.57 177.43 1a5u h GLU 3233N 1.05 0.00 -0.09 1.57 5.08 0.22 -2.63 114.58 119.78 1a5u h GLU 3233Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1a5u h GLU 3233Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1a5u h GLU 3233CO -0.00 0.09 0.00 1.04 -1.00 0.00 0.00 179.01 179.13 1a5u n GLN 3234N -4.42 1.83 -2.49 2.33 1.13 0.75 -4.96 117.38 111.55 1a5u n GLN 3234Ca -0.03 -1.22 -0.18 0.00 -1.94 0.00 0.00 57.00 53.63 1a5u n GLN 3234Cb 0.16 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.06 1a5u n GLN 3234CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1a5u n ASP 3235N 0.47 -5.26 -4.61 1.08 2.03 -0.79 -4.96 116.55 104.51 1a5u n ASP 3235Ca 0.18 -0.08 -0.34 0.00 0.52 0.00 0.00 54.79 55.07 1a5u n ASP 3235Cb 0.40 -4.27 0.12 0.00 -0.72 0.00 0.00 41.12 36.65 1a5u n ASP 3235CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1a5u n VAL 3236N -4.10 1.45 0.04 5.18 0.24 -1.04 -4.92 118.33 115.17 1a5u n VAL 3236Ca -0.18 -0.21 -0.01 0.00 -2.04 0.00 0.00 64.34 61.90 1a5u n VAL 3236Cb 0.64 -1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 31.94 1a5u n VAL 3236CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1a5u h ASP 3237N -1.03 0.00 -5.20 -1.34 3.32 -0.81 -3.46 116.42 107.89 1a5u h ASP 3237Ca -0.45 0.00 0.12 0.00 0.02 0.00 0.00 57.03 56.72 1a5u h ASP 3237Cb 1.30 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.80 1a5u h ASP 3237CO 0.43 0.61 0.40 0.00 -1.72 0.00 0.00 179.24 178.96 1a5u s MET 3238N -2.90 1.53 -0.02 3.56 0.23 -1.14 -2.02 119.30 118.54 1a5u s MET 3238Ca -0.02 -0.89 0.03 0.00 -1.03 0.00 0.00 55.69 53.78 1a5u s MET 3238Cb 0.09 0.49 -0.00 0.00 -1.53 0.00 0.00 34.83 33.87 1a5u s MET 3238CO 0.80 -0.70 -0.10 0.08 -2.03 0.00 0.00 175.02 173.07 1a5u s VAL 3239N -3.16 0.82 -0.37 5.16 1.01 0.80 -1.99 120.40 122.67 1a5u s VAL 3239Ca 0.14 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 1a5u s VAL 3239Cb -0.03 -0.71 0.05 0.00 0.00 0.00 0.00 36.38 35.69 1a5u s VAL 3239CO 0.05 0.25 0.16 -0.36 0.00 0.00 0.00 175.10 175.20 1a5u s PHE 3240N -0.00 3.29 -0.62 5.22 0.08 0.14 -1.05 117.98 125.04 1a5u s PHE 3240Ca -0.00 -1.45 -0.24 0.00 0.12 0.00 0.00 56.93 55.36 1a5u s PHE 3240Cb -0.07 -2.53 0.05 0.00 -0.57 0.00 0.00 43.02 39.91 1a5u s PHE 3240CO 0.00 -0.76 1.00 0.00 -0.10 0.00 0.00 175.22 175.35 1a5u s ALA 3241N 1.41 3.09 0.37 5.36 0.00 0.18 -1.53 121.76 130.64 1a5u s ALA 3241Ca 0.01 -1.52 -0.28 0.00 0.00 0.00 0.00 51.96 50.16 1a5u s ALA 3241Cb -0.21 -3.86 -0.11 0.00 0.00 0.00 0.00 23.12 18.94 1a5u s ALA 3241CO 0.03 -2.68 1.50 0.43 0.00 0.00 0.00 175.76 175.04 1a5u n SER 3242N 7.82 3.80 -3.29 0.00 7.64 -1.26 -1.26 113.62 127.07 1a5u n SER 3242Ca -0.01 1.22 -0.24 0.00 1.01 0.00 0.00 58.87 60.86 1a5u n SER 3242Cb 0.47 -1.62 0.02 0.00 -1.01 0.00 0.00 64.21 62.07 1a5u n SER 3242CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1a5u n PHE 3243N 0.63 -1.99 -1.75 1.43 3.72 -1.17 -4.56 117.46 113.78 1a5u n PHE 3243Ca 0.02 0.57 -0.42 0.00 -0.05 0.00 0.00 57.45 57.58 1a5u n PHE 3243Cb 0.39 -3.85 -0.01 0.00 -0.94 0.00 0.00 39.48 35.06 1a5u n PHE 3243CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1a5u n ILE 3244N -4.33 1.21 0.00 4.37 2.08 -1.03 -4.87 119.36 116.78 1a5u n ILE 3244Ca -0.05 -0.30 0.00 0.00 0.56 0.00 0.00 62.75 62.96 1a5u n ILE 3244Cb 0.57 -1.95 0.00 0.00 -0.75 0.00 0.00 39.64 37.52 1a5u n ILE 3244CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1a5u n ARG 3245N 1.82 1.47 -3.57 0.38 1.74 -1.26 -4.41 116.66 112.81 1a5u n ARG 3245Ca 0.07 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.00 1a5u n ARG 3245Cb 0.37 -0.87 -0.06 0.00 -1.02 0.00 0.00 32.46 30.88 1a5u n ARG 3245CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1a5u s LYS 3246N -1.57 1.01 0.35 5.56 3.01 -1.26 -4.43 119.74 122.42 1a5u s LYS 3246Ca 0.00 -0.10 0.13 0.00 -1.01 0.00 0.00 55.97 54.99 1a5u s LYS 3246Cb 0.00 0.47 0.96 0.00 -1.01 0.00 0.00 37.83 38.24 1a5u s LYS 3246CO 0.00 -0.35 1.76 0.00 0.51 0.00 0.00 175.35 177.27 1a5u h ALA 3247N 2.93 1.97 -0.99 5.17 0.00 -1.88 0.81 119.26 127.27 1a5u h ALA 3247Ca -0.30 0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.86 1a5u h ALA 3247Cb 1.19 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 1a5u h ALA 3247CO 0.40 -0.39 0.60 0.00 0.00 0.00 0.00 179.25 179.87 1a5u h ALA 3248N 1.67 1.57 -0.78 0.00 0.00 -1.96 0.85 119.26 120.61 1a5u h ALA 3248Ca 0.61 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.66 1a5u h ALA 3248Cb 1.28 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1a5u h ALA 3248CO -0.37 0.06 0.43 -0.44 0.00 0.00 0.00 179.25 178.92 1a5u h ASP 3249N 0.84 0.60 -0.05 0.00 5.19 0.26 0.47 116.42 123.74 1a5u h ASP 3249Ca 0.54 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.98 1a5u h ASP 3249Cb 0.71 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 40.16 1a5u h ASP 3249CO -0.33 0.34 -0.04 0.58 -3.12 0.00 0.00 179.24 176.67 1a5u h VAL 3250N 0.73 1.37 -0.91 -1.35 2.07 -0.90 -2.37 116.25 114.88 1a5u h VAL 3250Ca 0.38 -1.16 0.18 0.00 0.82 0.00 0.00 66.70 66.92 1a5u h VAL 3250Cb 0.35 2.04 -0.11 0.00 -1.52 0.00 0.00 31.29 32.06 1a5u h VAL 3250CO -0.25 0.31 0.49 0.45 0.02 0.00 0.00 177.57 178.59 1a5u h HIS 3251N -0.33 0.84 -0.60 1.57 3.86 -0.08 0.64 115.15 121.05 1a5u h HIS 3251Ca 0.01 0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1a5u h HIS 3251Cb 0.53 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 1a5u h HIS 3251CO 0.09 0.13 0.23 1.49 0.86 0.00 0.00 177.93 180.73 1a5u h GLU 3252N 0.60 0.87 -0.02 2.45 4.81 0.08 -1.43 114.58 121.95 1a5u h GLU 3252Ca 0.53 -0.14 -0.25 0.00 -0.13 0.00 0.00 59.36 59.37 1a5u h GLU 3252Cb 0.87 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 30.11 1a5u h GLU 3252CO -0.42 0.72 -0.97 0.28 -0.73 0.00 0.00 179.01 177.89 1a5u h VAL 3253N 0.86 1.31 -0.39 0.32 2.07 0.59 -2.93 116.25 118.08 1a5u h VAL 3253Ca 0.20 -2.26 0.06 0.00 0.82 0.00 0.00 66.70 65.53 1a5u h VAL 3253Cb 0.18 2.32 -0.05 0.00 -1.52 0.00 0.00 31.29 32.22 1a5u h VAL 3253CO -0.02 0.69 0.07 -0.09 0.02 0.00 0.00 177.57 178.24 1a5u h ARG 3254N 0.37 0.18 -0.62 1.57 2.43 0.20 -0.61 114.38 117.90 1a5u h ARG 3254Ca -0.10 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1a5u h ARG 3254Cb 1.61 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 31.06 1a5u h ARG 3254CO 0.19 0.12 0.30 -0.22 -1.51 0.00 0.00 179.97 178.85 1a5u h LYS 3255N 0.19 0.53 -0.97 0.20 3.64 -1.28 0.61 116.57 119.49 1a5u h LYS 3255Ca 0.19 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1a5u h LYS 3255Cb 0.23 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 1a5u h LYS 3255CO -0.25 0.35 0.62 0.82 -2.27 0.00 0.00 179.45 178.73 1a5u h ILE 3256N 0.55 1.26 -0.02 2.00 1.08 -1.26 -2.38 117.51 118.74 1a5u h ILE 3256Ca 0.30 -0.50 -0.17 0.00 -0.39 0.00 0.00 64.86 64.10 1a5u h ILE 3256Cb 0.27 -0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 33.84 1a5u h ILE 3256CO -0.23 0.25 -0.74 -0.07 -0.69 0.00 0.00 178.15 176.67 1a5u h LEU 3257N 1.33 0.16 0.00 1.44 -0.00 -0.17 -3.46 115.31 114.61 1a5u h LEU 3257Ca 0.35 -0.12 0.00 0.00 -0.00 0.00 0.00 57.88 58.12 1a5u h LEU 3257Cb -0.12 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.49 1a5u h LEU 3257CO -0.07 0.84 0.00 0.61 -0.00 0.00 0.00 178.44 179.82 1a5u n GLY 3258N 0.58 0.21 0.31 0.83 0.00 0.12 0.92 105.19 108.15 1a5u n GLY 3258Ca -0.02 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.52 1a5u n GLY 3258CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1a5u h GLU 3259N 0.00 0.38 -0.04 1.61 4.22 -1.88 0.17 114.58 119.04 1a5u h GLU 3259Ca 0.00 -0.02 -0.15 0.00 0.08 0.00 0.00 59.36 59.27 1a5u h GLU 3259Cb 0.00 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1a5u h GLU 3259CO 0.00 0.25 -0.66 -0.22 -2.18 0.00 0.00 179.01 176.20 1a5u h LYS 3260N 0.39 0.16 -0.75 1.92 3.64 -1.98 -3.10 116.57 116.85 1a5u h LYS 3260Ca 0.54 -0.12 -0.22 0.00 -1.27 0.00 0.00 60.65 59.57 1a5u h LYS 3260Cb 1.00 0.02 -0.13 0.00 -0.41 0.00 0.00 32.23 32.71 1a5u h LYS 3260CO -0.52 0.76 0.28 0.41 -2.27 0.00 0.00 179.45 178.11 1a5u n GLY 3261N 0.37 3.67 0.21 5.01 0.00 0.26 -4.65 105.19 110.07 1a5u n GLY 3261Ca -0.02 -1.00 -0.07 0.00 0.00 0.00 0.00 46.02 44.93 1a5u n GLY 3261CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1a5u h LYS 3262N 2.67 0.47 -0.00 1.61 2.10 -0.77 -3.19 116.57 119.46 1a5u h LYS 3262Ca 0.27 -0.26 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1a5u h LYS 3262Cb 2.36 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.71 1a5u h LYS 3262CO 0.75 0.84 -0.04 0.09 -2.00 0.00 0.00 179.45 179.09 1a5u n ASN 3263N -3.99 0.05 -4.71 7.07 5.03 -1.26 -4.87 115.26 112.58 1a5u n ASN 3263Ca -0.02 0.35 -0.42 0.00 0.87 0.00 0.00 54.58 55.36 1a5u n ASN 3263Cb 0.55 -0.41 -0.03 0.00 -1.02 0.00 0.00 39.78 38.87 1a5u n ASN 3263CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a5u s ILE 3264N -2.95 3.91 0.06 2.41 1.01 -1.21 -5.00 121.20 119.43 1a5u s ILE 3264Ca 0.15 1.35 -0.28 0.00 0.00 0.00 0.00 60.65 61.88 1a5u s ILE 3264Cb 0.19 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 1a5u s ILE 3264CO 0.54 0.09 0.90 -0.54 0.00 0.00 0.00 174.94 175.92 1a5u s LYS 3265N 1.27 4.60 -0.38 2.79 -0.14 -0.85 -4.90 119.74 122.13 1a5u s LYS 3265Ca 0.60 1.31 -0.09 0.00 -1.36 0.00 0.00 55.97 56.43 1a5u s LYS 3265Cb -0.30 -3.40 0.05 0.00 -1.68 0.00 0.00 37.83 32.50 1a5u s LYS 3265CO 0.28 0.16 0.19 0.42 -0.76 0.00 0.00 175.35 175.65 1a5u s ILE 3266N 0.26 4.17 -0.39 2.17 1.01 -1.26 -0.14 121.20 127.02 1a5u s ILE 3266Ca 0.45 -1.16 -0.13 0.00 0.00 0.00 0.00 60.65 59.82 1a5u s ILE 3266Cb -0.22 -3.43 0.02 0.00 0.01 0.00 0.00 42.46 38.85 1a5u s ILE 3266CO 0.27 -0.32 0.25 -0.63 0.00 0.00 0.00 174.94 174.51 1a5u s ILE 3267N 1.45 4.90 0.08 2.92 1.09 -0.22 -0.48 121.20 130.95 1a5u s ILE 3267Ca 0.01 -0.76 -0.30 0.00 -1.10 0.00 0.00 60.65 58.50 1a5u s ILE 3267Cb -0.21 -3.73 -0.06 0.00 -1.06 0.00 0.00 42.46 37.41 1a5u s ILE 3267CO 0.04 -0.27 1.10 -0.44 -0.10 0.00 0.00 174.94 175.27 1a5u s SER 3268N 1.61 7.23 -0.30 3.58 0.01 -0.55 -0.65 113.70 124.64 1a5u s SER 3268Ca 0.03 1.93 -0.09 0.00 1.31 0.00 0.00 55.95 59.14 1a5u s SER 3268Cb -0.19 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.44 1a5u s SER 3268CO 0.08 -0.32 0.14 -0.54 0.41 0.00 0.00 173.24 173.01 1a5u s LYS 3269N 0.58 3.42 -0.41 12.44 1.02 -0.39 -1.10 119.74 135.29 1a5u s LYS 3269Ca 0.54 -0.66 -0.23 0.00 0.02 0.00 0.00 55.97 55.64 1a5u s LYS 3269Cb -0.27 -3.52 0.02 0.00 -0.52 0.00 0.00 37.83 33.54 1a5u s LYS 3269CO 0.30 -0.36 0.80 0.42 -0.92 0.00 0.00 175.35 175.59 1a5u s ILE 3270N 1.62 4.67 -0.02 2.17 -1.09 -0.97 -2.47 121.20 125.11 1a5u s ILE 3270Ca 0.05 0.66 0.03 0.00 -2.23 0.00 0.00 60.65 59.16 1a5u s ILE 3270Cb -0.17 -4.28 0.04 0.00 -1.58 0.00 0.00 42.46 36.47 1a5u s ILE 3270CO 0.06 -0.60 0.89 -1.84 -1.23 0.00 0.00 174.94 172.22 1a5u n GLU 3271N 6.63 0.40 -3.83 2.79 0.28 -1.26 -2.41 120.64 123.23 1a5u n GLU 3271Ca 0.03 -1.13 -0.07 0.00 -0.16 0.00 0.00 57.16 55.83 1a5u n GLU 3271Cb 0.48 -0.68 -0.00 0.00 1.43 0.00 0.00 31.44 32.67 1a5u n GLU 3271CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1a5u s ASN 3272N -1.01 -0.14 0.04 -1.84 2.20 -1.26 -3.56 114.94 109.37 1a5u s ASN 3272Ca 0.05 -0.76 -0.12 0.00 -0.94 0.00 0.00 52.86 51.08 1a5u s ASN 3272Cb 0.04 0.72 -0.05 0.00 -2.00 0.00 0.00 41.25 39.96 1a5u s ASN 3272CO 0.00 -1.37 1.20 0.45 -2.94 0.00 0.00 177.10 174.45 1a5u h HIS 3273N 2.00 -0.59 -0.95 1.54 3.86 -1.93 -2.22 115.15 116.85 1a5u h HIS 3273Ca -0.25 0.02 0.29 0.00 -1.16 0.00 0.00 60.37 59.27 1a5u h HIS 3273Cb 1.24 0.26 -0.17 0.00 1.06 0.00 0.00 27.41 29.81 1a5u h HIS 3273CO 0.81 -0.20 0.19 1.49 0.86 0.00 0.00 177.93 181.08 1a5u h GLU 3274N -0.21 0.07 -0.56 2.45 4.81 -1.95 0.56 114.58 119.75 1a5u h GLU 3274Ca 0.01 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 1a5u h GLU 3274Cb 0.25 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1a5u h GLU 3274CO -0.16 0.05 0.11 0.78 -0.73 0.00 0.00 179.01 179.06 1a5u h GLY 3275N 0.07 0.94 0.83 1.92 0.00 -1.65 0.70 103.07 105.90 1a5u h GLY 3275Ca 0.63 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 1a5u h GLY 3275CO -0.81 0.53 -0.05 -2.08 0.00 0.00 0.00 176.54 174.13 1a5u h VAL 3276N 0.84 1.28 -0.08 4.60 2.07 0.59 -1.81 116.25 123.75 1a5u h VAL 3276Ca 0.18 -1.04 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 1a5u h VAL 3276Cb 0.34 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1a5u h VAL 3276CO 0.00 0.32 -0.12 0.03 0.02 0.00 0.00 177.57 177.82 1a5u h ARG 3277N 0.18 0.12 -0.28 1.57 3.08 -0.60 -2.47 114.38 115.99 1a5u h ARG 3277Ca 0.06 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1a5u h ARG 3277Cb 0.51 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1a5u h ARG 3277CO 0.02 0.25 0.00 0.54 -1.07 0.00 0.00 179.97 179.72 1a5u n ARG 3278N -4.33 2.85 -0.36 0.04 1.74 0.21 -4.74 116.66 112.06 1a5u n ARG 3278Ca -0.02 -2.36 0.04 0.00 -0.77 0.00 0.00 57.85 54.75 1a5u n ARG 3278Cb 0.23 -1.49 0.11 0.00 -1.02 0.00 0.00 32.46 30.29 1a5u n ARG 3278CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1a5u h PHE 3279N 1.74 -0.69 -0.28 -1.55 3.57 -0.83 -2.19 116.94 116.72 1a5u h PHE 3279Ca 0.00 0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.66 1a5u h PHE 3279Cb 1.01 0.46 -0.07 0.00 2.79 0.00 0.00 35.95 40.14 1a5u h PHE 3279CO 0.32 -0.42 -0.24 -0.44 -2.23 0.00 0.00 178.31 175.30 1a5u h ASP 3280N -0.00 -0.78 -0.10 0.41 3.32 -1.85 0.10 116.42 117.52 1a5u h ASP 3280Ca 0.44 0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.55 1a5u h ASP 3280Cb 0.69 0.37 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1a5u h ASP 3280CO -1.01 -0.27 -0.17 1.05 -1.72 0.00 0.00 179.24 177.11 1a5u h GLU 3281N -0.23 0.48 -0.08 3.56 4.11 -1.80 -1.31 114.58 119.31 1a5u h GLU 3281Ca 0.15 -0.15 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1a5u h GLU 3281Cb 0.46 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1a5u h GLU 3281CO -0.41 0.64 0.05 0.82 0.07 0.00 0.00 179.01 180.17 1a5u h ILE 3282N 0.44 1.08 -0.41 -1.06 2.04 -0.70 -0.35 117.51 118.54 1a5u h ILE 3282Ca 0.08 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1a5u h ILE 3282Cb 0.55 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1a5u h ILE 3282CO 0.04 0.07 0.15 0.25 0.00 0.00 0.00 178.15 178.65 1a5u h LEU 3283N 0.05 0.57 -0.55 1.44 6.46 -0.67 0.31 115.31 122.93 1a5u h LEU 3283Ca 0.03 -0.18 0.07 0.00 -0.12 0.00 0.00 57.88 57.68 1a5u h LEU 3283Cb 0.07 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 39.79 1a5u h LEU 3283CO -0.00 0.60 0.22 -0.08 -0.62 0.00 0.00 178.44 178.55 1a5u h GLU 3284N 0.51 0.40 -0.00 1.25 4.22 -1.08 -2.57 114.58 117.31 1a5u h GLU 3284Ca 0.13 -0.02 -0.13 0.00 0.08 0.00 0.00 59.36 59.42 1a5u h GLU 3284Cb 0.21 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1a5u h GLU 3284CO -0.01 0.26 -0.60 0.00 -2.18 0.00 0.00 179.01 176.48 1a5u h ALA 3285N 1.36 1.00 -0.85 2.92 0.00 -0.32 -3.47 119.26 119.90 1a5u h ALA 3285Ca 0.26 -0.55 -0.49 0.00 0.00 0.00 0.00 54.91 54.14 1a5u h ALA 3285Cb 0.28 -0.10 0.04 0.00 0.00 0.00 0.00 17.79 18.01 1a5u h ALA 3285CO -0.25 0.75 -0.05 -1.54 0.00 0.00 0.00 179.25 178.15 1a5u s SER 3286N -6.86 4.93 0.01 0.00 1.04 0.03 -4.92 113.70 107.95 1a5u s SER 3286Ca -0.02 -0.79 0.23 0.00 0.48 0.00 0.00 55.95 55.86 1a5u s SER 3286Cb 0.13 0.30 0.17 0.00 0.10 0.00 0.00 66.02 66.72 1a5u s SER 3286CO 0.76 -1.47 1.17 0.47 0.98 0.00 0.00 173.24 175.15 1a5u n ASP 3287N -2.37 0.68 0.00 7.02 8.00 0.37 -4.92 116.55 125.33 1a5u n ASP 3287Ca 0.16 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.19 1a5u n ASP 3287Cb 0.61 0.61 0.00 0.00 -0.02 0.00 0.00 41.12 42.32 1a5u n ASP 3287CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a5u n GLY 3288N 1.47 -0.62 3.07 0.44 0.00 -1.18 -4.05 105.19 104.32 1a5u n GLY 3288Ca 0.04 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 1a5u n GLY 3288CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5u s ILE 3289N -2.00 0.38 -0.03 -0.61 -1.09 0.25 -1.48 121.20 116.62 1a5u s ILE 3289Ca 0.00 -1.35 0.05 0.00 -2.23 0.00 0.00 60.65 57.12 1a5u s ILE 3289Cb 0.00 -0.91 -0.01 0.00 -1.58 0.00 0.00 42.46 39.96 1a5u s ILE 3289CO 0.00 -0.64 -0.18 -0.32 -1.23 0.00 0.00 174.94 172.57 1a5u s MET 3290N -2.47 1.72 -0.88 2.79 -2.45 -0.26 -0.17 119.30 117.59 1a5u s MET 3290Ca -0.04 -0.64 -0.17 0.00 -1.25 0.00 0.00 55.69 53.59 1a5u s MET 3290Cb -0.03 -1.55 0.17 0.00 1.25 0.00 0.00 34.83 34.67 1a5u s MET 3290CO -0.03 0.31 0.96 0.08 1.05 0.00 0.00 175.02 177.39 1a5u s VAL 3291N -0.14 5.11 -1.36 10.11 1.01 0.20 -2.29 120.40 133.03 1a5u s VAL 3291Ca 0.00 -1.94 -0.15 0.00 0.00 0.00 0.00 61.98 59.90 1a5u s VAL 3291Cb -0.10 -4.64 -0.00 0.00 0.00 0.00 0.00 36.38 31.64 1a5u s VAL 3291CO 0.01 -1.29 2.26 0.00 0.00 0.00 0.00 175.10 176.08 1a5u n ALA 3292N 5.44 5.42 -0.28 5.51 0.00 -1.01 -2.19 120.51 133.39 1a5u n ALA 3292Ca 0.19 -3.72 0.19 0.00 0.00 0.00 0.00 53.44 50.09 1a5u n ALA 3292Cb 0.48 -3.53 0.48 0.00 0.00 0.00 0.00 19.45 16.88 1a5u n ALA 3292CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5u h ARG 3293N 6.18 0.46 0.42 0.00 3.08 -1.80 -0.93 114.38 121.80 1a5u h ARG 3293Ca 0.58 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.58 1a5u h ARG 3293Cb 0.60 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1a5u h ARG 3293CO 1.88 0.30 -0.28 0.78 -1.07 0.00 0.00 179.97 181.58 1a5u h GLY 3294N 0.47 -0.92 1.04 0.04 0.00 -1.85 0.36 103.07 102.21 1a5u h GLY 3294Ca 0.51 0.39 -0.08 0.00 0.00 0.00 0.00 47.33 48.14 1a5u h GLY 3294CO -0.23 -0.31 0.02 -0.55 0.00 0.00 0.00 176.54 175.47 1a5u h ASP 3295N -0.67 0.94 -0.90 0.19 3.32 -1.86 -2.95 116.42 114.50 1a5u h ASP 3295Ca -0.06 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 56.73 1a5u h ASP 3295Cb 0.54 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.79 1a5u h ASP 3295CO 0.04 1.01 0.59 0.25 -1.72 0.00 0.00 179.24 179.41 1a5u h LEU 3296N 0.85 0.97 -2.12 1.55 5.85 -1.04 0.60 115.31 121.98 1a5u h LEU 3296Ca 0.16 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1a5u h LEU 3296Cb 0.52 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1a5u h LEU 3296CO 0.03 0.67 0.07 1.23 -0.34 0.00 0.00 178.44 180.09 1a5u h GLY 3297N 1.13 0.00 0.08 3.75 0.00 -0.11 0.37 103.07 108.29 1a5u h GLY 3297Ca 0.35 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.43 1a5u h GLY 3297CO -0.10 0.00 -2.20 4.51 0.00 0.00 0.00 176.54 178.74 1a5u n ILE 3298N -4.31 0.99 -0.02 2.60 0.13 -0.70 -3.83 119.36 114.22 1a5u n ILE 3298Ca -0.01 -0.75 -0.13 0.00 -1.10 0.00 0.00 62.75 60.77 1a5u n ILE 3298Cb 0.17 -0.36 -0.09 0.00 -0.84 0.00 0.00 39.64 38.53 1a5u n ILE 3298CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1a5u h GLU 3299N 0.00 0.07 -5.94 9.51 4.39 -0.37 -3.45 114.58 118.79 1a5u h GLU 3299Ca -0.36 -0.03 -0.56 0.00 0.34 0.00 0.00 59.36 58.75 1a5u h GLU 3299Cb 1.85 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 30.43 1a5u h GLU 3299CO 0.02 0.46 -0.43 0.96 -1.16 0.00 0.00 179.01 178.86 1a5u s ILE 3300N -4.57 2.23 0.14 3.13 -4.36 0.13 -4.82 121.20 113.08 1a5u s ILE 3300Ca -0.15 -1.58 -0.32 0.00 -0.26 0.00 0.00 60.65 58.34 1a5u s ILE 3300Cb 0.03 -2.81 -0.12 0.00 1.25 0.00 0.00 42.46 40.82 1a5u s ILE 3300CO 0.69 0.00 1.76 -2.65 0.24 0.00 0.00 174.94 174.98 1a5u n PRO 3301N -1.42 2.64 -0.18 0.37 -0.02 -1.26 -4.54 135.00 130.60 1a5u n PRO 3301Ca -0.01 0.96 0.21 0.00 -2.02 0.00 0.00 63.50 62.64 1a5u n PRO 3301Cb 0.64 -2.81 0.59 0.00 -0.02 0.00 0.00 33.50 31.89 1a5u n PRO 3301CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a5u h ALA 3302N 7.61 2.38 0.00 3.55 0.00 -1.91 0.22 119.26 131.11 1a5u h ALA 3302Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1a5u h ALA 3302Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1a5u h ALA 3302CO 0.94 -0.62 0.00 -0.85 0.00 0.00 0.00 179.25 178.72 1a5u n GLU 3303N -4.43 0.90 -0.00 0.00 0.00 -1.26 -3.40 120.64 112.44 1a5u n GLU 3303Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.39 1a5u n GLU 3303Cb 0.72 -1.42 -0.08 0.00 0.00 0.00 0.00 31.44 30.65 1a5u n GLU 3303CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1a5u n LYS 3304N -0.92 1.66 -0.24 3.44 5.02 0.06 -4.70 118.16 122.48 1a5u n LYS 3304Ca 0.18 -0.06 0.03 0.00 -2.02 0.00 0.00 58.31 56.44 1a5u n LYS 3304Cb 0.08 -1.19 0.12 0.00 -0.02 0.00 0.00 35.03 34.03 1a5u n LYS 3304CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a5u h VAL 3305N 0.00 0.37 -0.67 -0.18 2.07 -1.57 0.14 116.25 116.41 1a5u h VAL 3305Ca 0.00 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.54 1a5u h VAL 3305Cb 0.43 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1a5u h VAL 3305CO 0.00 0.01 0.44 2.19 0.02 0.00 0.00 177.57 180.24 1a5u h PHE 3306N 0.08 0.72 0.27 1.57 -0.00 -1.84 0.20 116.94 117.95 1a5u h PHE 3306Ca 0.37 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 58.36 1a5u h PHE 3306Cb 0.62 -0.24 -0.02 0.00 -0.00 0.00 0.00 35.95 36.32 1a5u h PHE 3306CO -0.44 0.40 -0.25 -0.07 -0.00 0.00 0.00 178.31 177.94 1a5u h LEU 3307N 0.73 -0.67 -0.14 2.10 3.38 -1.06 0.20 115.31 119.84 1a5u h LEU 3307Ca 0.28 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.34 1a5u h LEU 3307Cb 0.19 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1a5u h LEU 3307CO -0.09 -0.37 -0.06 0.00 0.09 0.00 0.00 178.44 178.01 1a5u h ALA 3308N 0.09 0.06 -1.01 1.53 0.00 -0.86 0.12 119.26 119.20 1a5u h ALA 3308Ca -0.01 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1a5u h ALA 3308Cb 0.50 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1a5u h ALA 3308CO -0.04 -0.51 0.66 0.37 0.00 0.00 0.00 179.25 179.73 1a5u h GLN 3309N -0.05 1.30 0.01 0.00 4.15 -0.33 0.12 115.11 120.32 1a5u h GLN 3309Ca 0.08 -0.08 -0.24 0.00 0.77 0.00 0.00 58.65 59.18 1a5u h GLN 3309Cb 0.17 -0.29 0.01 0.00 0.21 0.00 0.00 27.48 27.57 1a5u h GLN 3309CO -0.18 0.86 -1.00 0.87 -1.93 0.00 0.00 178.83 177.46 1a5u h LYS 3310N 1.34 0.50 -0.17 1.69 1.57 -0.21 -1.89 116.57 119.40 1a5u h LYS 3310Ca 0.38 -0.55 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1a5u h LYS 3310Cb -0.12 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1a5u h LYS 3310CO -0.09 1.19 0.10 1.98 -0.57 0.00 0.00 179.45 182.05 1a5u h MET 3311N 0.27 0.23 0.07 3.15 4.05 -0.32 -1.06 114.93 121.32 1a5u h MET 3311Ca -0.10 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 1a5u h MET 3311Cb 1.64 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 32.39 1a5u h MET 3311CO 0.18 0.22 -0.06 0.82 0.23 0.00 0.00 176.91 178.30 1a5u h ILE 3312N 0.18 0.87 -0.34 1.77 2.04 -1.04 -0.10 117.51 120.89 1a5u h ILE 3312Ca 0.06 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.85 1a5u h ILE 3312Cb 0.05 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1a5u h ILE 3312CO -0.01 0.00 -0.08 0.40 0.00 0.00 0.00 178.15 178.46 1a5u h ILE 3313N -0.13 1.23 -0.08 -0.67 2.04 -1.30 -1.05 117.51 117.54 1a5u h ILE 3313Ca 0.00 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 1a5u h ILE 3313Cb 0.12 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1a5u h ILE 3313CO -0.01 0.32 0.01 1.23 0.00 0.00 0.00 178.15 179.71 1a5u h GLY 3314N 0.92 0.15 0.34 5.37 0.00 -0.86 -2.30 103.07 106.69 1a5u h GLY 3314Ca 0.10 -0.10 0.12 0.00 0.00 0.00 0.00 47.33 47.45 1a5u h GLY 3314CO 0.02 0.09 0.37 3.21 0.00 0.00 0.00 176.54 180.23 1a5u h ARG 3315N -0.11 0.57 -0.29 4.80 3.08 -0.64 0.34 114.38 122.14 1a5u h ARG 3315Ca 0.02 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 1a5u h ARG 3315Cb 0.29 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1a5u h ARG 3315CO 0.00 0.38 -0.20 0.00 -1.07 0.00 0.00 179.97 179.08 1a5u h ASN 3317N 0.38 -0.17 -0.61 0.00 -0.26 -0.75 3.14 115.58 117.30 1a5u h ASN 3317Ca 0.06 0.05 0.02 0.00 -0.56 0.00 0.00 56.30 55.87 1a5u h ASN 3317Cb 0.74 0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 38.08 1a5u h ASN 3317CO 0.05 -0.06 0.39 -0.09 -1.06 0.00 0.00 177.43 176.66 1a5u h ARG 3318N -0.01 0.75 0.00 0.81 2.43 -0.25 -2.65 114.38 115.46 1a5u h ARG 3318Ca 0.08 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 1a5u h ARG 3318Cb 0.13 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1a5u h ARG 3318CO -0.18 0.50 -0.65 0.00 -1.51 0.00 0.00 179.97 178.12 1a5u h ALA 3319N 1.25 0.85 -0.01 2.80 0.00 -0.13 -3.45 119.26 120.57 1a5u h ALA 3319Ca 0.24 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1a5u h ALA 3319Cb -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1a5u h ALA 3319CO -0.08 0.82 0.00 0.41 0.00 0.00 0.00 179.25 180.40 1a5u n GLY 3320N 0.50 0.88 3.27 0.00 0.00 1.02 -5.05 105.19 105.81 1a5u n GLY 3320Ca -0.01 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 1a5u n GLY 3320CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5u s LYS 3321N -3.08 2.76 0.23 1.61 1.02 0.48 -5.00 119.74 117.76 1a5u s LYS 3321Ca 0.00 -0.87 -0.29 0.00 0.02 0.00 0.00 55.97 54.82 1a5u s LYS 3321Cb 0.00 -2.25 -0.15 0.00 -0.52 0.00 0.00 37.83 34.91 1a5u s LYS 3321CO 0.00 0.32 0.92 -2.30 -0.92 0.00 0.00 175.35 173.37 1a5u n PRO 3322N 3.13 0.92 -4.16 -1.68 -0.02 -1.26 -4.31 135.00 127.62 1a5u n PRO 3322Ca -0.18 0.32 -0.18 0.00 -2.02 0.00 0.00 63.50 61.45 1a5u n PRO 3322Cb 0.52 -1.63 -0.15 0.00 -0.02 0.00 0.00 33.50 32.22 1a5u n PRO 3322CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1a5u s VAL 3323N -0.83 0.45 -0.10 -1.45 0.11 -1.26 -0.59 120.40 116.73 1a5u s VAL 3323Ca 0.64 -0.17 0.04 0.00 -2.93 0.00 0.00 61.98 59.56 1a5u s VAL 3323Cb -0.81 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 33.61 1a5u s VAL 3323CO 0.57 0.16 -0.23 -0.63 -3.33 0.00 0.00 175.10 171.64 1a5u s ILE 3324N 0.33 2.02 -0.19 7.04 1.01 0.76 -0.81 121.20 131.35 1a5u s ILE 3324Ca -0.04 -0.99 -0.10 0.00 0.00 0.00 0.00 60.65 59.52 1a5u s ILE 3324Cb -0.08 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 1a5u s ILE 3324CO -0.00 0.55 0.14 0.00 0.00 0.00 0.00 174.94 175.63 1a5u s ALA 3326N 0.28 0.16 0.04 0.00 0.00 -0.93 -1.54 121.76 119.76 1a5u s ALA 3326Ca 0.09 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1a5u s ALA 3326Cb -0.11 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.59 1a5u s ALA 3326CO -0.01 -0.51 0.00 2.41 0.00 0.00 0.00 175.76 177.65 1a5u n THR 3327N -0.06 -1.84 -1.77 0.00 -1.04 -1.26 -3.08 114.28 105.22 1a5u n THR 3327Ca -0.12 0.30 -0.19 0.00 -2.04 0.00 0.00 64.05 62.01 1a5u n THR 3327Cb 0.62 -1.47 -0.06 0.00 -1.82 0.00 0.00 70.33 67.60 1a5u n THR 3327CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a5u n GLN 3328N -0.28 -1.34 -0.15 -2.82 6.02 -1.26 -4.74 117.38 112.80 1a5u n GLN 3328Ca 0.00 1.08 -0.05 0.00 -0.01 0.00 0.00 57.00 58.02 1a5u n GLN 3328Cb 0.00 -5.43 0.13 0.00 1.02 0.00 0.00 30.24 25.96 1a5u n GLN 3328CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1a5u h MET 3329N 0.00 0.90 -0.48 -1.09 2.86 -1.90 -3.07 114.93 112.15 1a5u h MET 3329Ca -0.40 -0.23 -0.32 0.00 -2.06 0.00 0.00 59.70 56.69 1a5u h MET 3329Cb 1.24 -0.11 -0.39 0.00 0.06 0.00 0.00 31.60 32.40 1a5u h MET 3329CO 0.54 0.86 -0.99 1.28 1.06 0.00 0.00 176.91 179.66 1a5u n LEU 3330N -4.23 2.61 -0.30 1.22 4.32 -1.26 -4.53 117.00 114.84 1a5u n LEU 3330Ca 0.03 -3.51 0.11 0.00 -0.02 0.00 0.00 56.01 52.63 1a5u n LEU 3330Cb 0.28 0.14 0.23 0.00 -1.62 0.00 0.00 43.42 42.45 1a5u n LEU 3330CO 0.42 1.34 0.66 1.21 -1.22 0.00 0.00 177.39 179.79 1a5u n GLU 3331N -0.57 -0.07 0.25 3.23 4.07 -1.16 -0.57 120.64 125.83 1a5u n GLU 3331Ca 0.19 1.28 0.09 0.00 -0.06 0.00 0.00 57.16 58.66 1a5u n GLU 3331Cb 0.88 -2.01 0.64 0.00 -0.06 0.00 0.00 31.44 30.89 1a5u n GLU 3331CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1a5u h SER 3332N 0.00 0.00 0.01 4.31 4.64 -1.93 -2.78 113.55 117.81 1a5u h SER 3332Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1a5u h SER 3332Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1a5u h SER 3332CO -0.81 0.12 0.00 0.23 -0.87 0.00 0.00 176.83 175.50 1a5u n MET 3333N -4.06 0.49 -0.12 4.77 2.81 0.27 0.91 117.12 122.19 1a5u n MET 3333Ca -0.02 0.01 -0.11 0.00 -1.81 0.00 0.00 57.70 55.76 1a5u n MET 3333Cb 0.21 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.19 1a5u n MET 3333CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1a5u h ILE 3334N 0.00 1.27 0.00 2.02 2.04 -1.66 -3.32 117.51 117.87 1a5u h ILE 3334Ca 0.00 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 1a5u h ILE 3334Cb 0.01 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1a5u h ILE 3334CO 0.00 0.36 -1.59 0.29 0.00 0.00 0.00 178.15 177.21 1a5u n LYS 3335N -4.44 0.54 -4.51 2.37 4.76 -0.92 0.61 118.16 116.57 1a5u n LYS 3335Ca -0.02 -0.10 -0.31 0.00 -2.87 0.00 0.00 58.31 55.01 1a5u n LYS 3335Cb 0.32 -1.29 -0.11 0.00 -1.84 0.00 0.00 35.03 32.10 1a5u n LYS 3335CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1a5u s LYS 3336N -2.81 2.22 0.33 1.97 3.01 0.26 -4.94 119.74 119.79 1a5u s LYS 3336Ca -0.05 -0.91 0.26 0.00 -1.01 0.00 0.00 55.97 54.26 1a5u s LYS 3336Cb 0.08 -2.30 0.97 0.00 -1.01 0.00 0.00 37.83 35.56 1a5u s LYS 3336CO 0.51 0.55 1.78 -1.00 0.51 0.00 0.00 175.35 177.70 1a5u h PRO 3337N 4.35 0.00 -4.67 -1.68 0.13 -1.85 -3.31 132.00 124.96 1a5u h PRO 3337Ca -0.48 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.17 1a5u h PRO 3337Cb 1.16 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.97 1a5u h PRO 3337CO 0.50 0.00 -0.80 -0.98 -0.23 0.00 0.00 178.00 176.49 1a5u s ARG 3338N -3.34 1.31 0.79 0.86 1.70 -1.26 -4.95 118.95 114.05 1a5u s ARG 3338Ca 0.05 -0.38 -0.11 0.00 -0.47 0.00 0.00 55.73 54.82 1a5u s ARG 3338Cb 0.09 -1.16 0.06 0.00 -0.57 0.00 0.00 34.95 33.38 1a5u s ARG 3338CO 0.50 0.10 1.09 -1.25 -1.08 0.00 0.00 175.30 174.65 1a5u s PRO 3339N 0.35 2.18 0.95 3.89 0.04 -1.26 -4.68 135.00 136.47 1a5u s PRO 3339Ca -0.07 0.85 -0.16 0.00 0.04 0.00 0.00 61.00 61.66 1a5u s PRO 3339Cb -0.12 -1.91 0.23 0.00 0.04 0.00 0.00 34.50 32.74 1a5u s PRO 3339CO 0.02 -1.61 1.07 0.25 0.04 0.00 0.00 177.00 176.77 1a5u n THR 3340N -3.46 0.00 -0.04 1.26 -2.24 -1.26 -4.90 114.28 103.65 1a5u n THR 3340Ca 0.07 -0.66 -0.14 0.00 -2.27 0.00 0.00 64.05 61.06 1a5u n THR 3340Cb 0.55 -1.41 -0.09 0.00 -2.10 0.00 0.00 70.33 67.28 1a5u n THR 3340CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1a5u h ARG 3341N 0.00 0.23 -0.99 -0.78 2.47 -2.01 -3.00 114.38 110.30 1a5u h ARG 3341Ca -0.37 -0.14 0.10 0.00 -1.26 0.00 0.00 59.98 58.31 1a5u h ARG 3341Cb 1.06 0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 29.32 1a5u h ARG 3341CO 0.25 0.72 0.62 0.00 0.56 0.00 0.00 179.97 182.12 1a5u h ALA 3342N 0.51 1.45 -0.07 0.04 0.00 -1.99 -2.49 119.26 116.71 1a5u h ALA 3342Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a5u h ALA 3342Cb 0.71 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1a5u h ALA 3342CO 0.03 0.28 0.03 0.93 0.00 0.00 0.00 179.25 180.52 1a5u h GLU 3343N 1.03 0.10 -0.32 0.00 5.08 -1.78 0.19 114.58 118.88 1a5u h GLU 3343Ca 0.47 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.86 1a5u h GLU 3343Cb 0.39 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1a5u h GLU 3343CO -0.24 0.21 0.04 0.78 -1.00 0.00 0.00 179.01 178.80 1a5u h GLY 3344N -0.03 0.35 0.26 -3.84 0.00 -1.39 -1.36 103.07 97.05 1a5u h GLY 3344Ca 0.02 -0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.37 1a5u h GLY 3344CO -0.00 -0.04 -0.41 0.23 0.00 0.00 0.00 176.54 176.32 1a5u h SER 3345N 0.15 -1.21 -0.69 0.19 0.87 -1.21 -2.29 113.55 109.36 1a5u h SER 3345Ca 0.15 0.14 0.15 0.00 -1.23 0.00 0.00 61.79 61.00 1a5u h SER 3345Cb 0.18 0.46 -0.12 0.00 -0.44 0.00 0.00 62.40 62.48 1a5u h SER 3345CO -0.22 -0.47 -0.00 -0.78 -0.53 0.00 0.00 176.83 174.83 1a5u h ASP 3346N -0.62 -0.32 -0.42 6.23 3.58 -0.28 0.20 116.42 124.80 1a5u h ASP 3346Ca 0.03 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1a5u h ASP 3346Cb 0.66 0.31 -0.02 0.00 1.72 0.00 0.00 39.33 42.00 1a5u h ASP 3346CO -0.26 -0.15 0.28 0.58 -2.88 0.00 0.00 179.24 176.81 1a5u h VAL 3347N 0.11 1.11 -0.08 2.25 2.07 -0.72 -1.90 116.25 119.08 1a5u h VAL 3347Ca 0.36 -0.20 -0.19 0.00 0.82 0.00 0.00 66.70 67.50 1a5u h VAL 3347Cb 0.61 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1a5u h VAL 3347CO -0.60 0.10 -0.74 0.00 0.02 0.00 0.00 177.57 176.35 1a5u h ALA 3348N 1.15 0.56 -0.53 1.67 0.00 -0.75 -2.73 119.26 118.64 1a5u h ALA 3348Ca 0.15 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1a5u h ALA 3348Cb -0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1a5u h ALA 3348CO -0.03 0.76 0.16 -0.91 0.00 0.00 0.00 179.25 179.23 1a5u h ASN 3349N 0.30 0.73 -0.43 0.00 -0.26 -0.37 0.34 115.58 115.89 1a5u h ASN 3349Ca -0.03 -0.11 -0.01 0.00 -0.56 0.00 0.00 56.30 55.59 1a5u h ASN 3349Cb 1.32 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 38.37 1a5u h ASN 3349CO 0.13 0.70 0.24 0.00 -1.06 0.00 0.00 177.43 177.44 1a5u h ALA 3350N 1.40 0.55 -0.22 -0.83 0.00 -1.33 1.31 119.26 120.14 1a5u h ALA 3350Ca 0.18 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1a5u h ALA 3350Cb 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1a5u h ALA 3350CO -0.01 0.07 0.09 0.28 0.00 0.00 0.00 179.25 179.68 1a5u h VAL 3351N 0.56 0.97 -0.48 0.00 2.07 -0.96 -1.71 116.25 116.71 1a5u h VAL 3351Ca 0.15 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1a5u h VAL 3351Cb 0.04 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1a5u h VAL 3351CO -0.03 0.04 0.27 -0.07 0.02 0.00 0.00 177.57 177.80 1a5u h LEU 3352N 0.21 0.41 -1.33 2.57 3.38 0.21 -1.36 115.31 119.39 1a5u h LEU 3352Ca 0.09 0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.30 1a5u h LEU 3352Cb 0.05 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.64 1a5u h LEU 3352CO -0.08 0.29 0.63 0.44 0.09 0.00 0.00 178.44 179.81 1a5u h ASP 3353N 0.53 0.51 0.00 -0.43 5.19 0.23 -3.46 116.42 119.00 1a5u h ASP 3353Ca 0.20 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 1a5u h ASP 3353Cb 0.06 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.55 1a5u h ASP 3353CO -0.11 0.16 0.00 0.61 -3.12 0.00 0.00 179.24 176.78 1a5u n GLY 3354N -1.46 1.17 3.73 2.75 0.00 -0.51 -4.66 105.19 106.21 1a5u n GLY 3354Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1a5u n GLY 3354CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u s ALA 3355N -1.85 3.88 0.09 4.61 0.00 -1.05 -4.92 121.76 122.53 1a5u s ALA 3355Ca 0.00 1.58 -0.15 0.00 0.00 0.00 0.00 51.96 53.39 1a5u s ALA 3355Cb 0.00 -3.68 -0.12 0.00 0.00 0.00 0.00 23.12 19.32 1a5u s ALA 3355CO 0.00 -0.94 1.35 -0.44 0.00 0.00 0.00 175.76 175.73 1a5u h ASP 3356N 6.23 0.79 -4.60 0.00 3.32 -1.29 -3.46 116.42 117.40 1a5u h ASP 3356Ca -0.44 -0.55 -0.25 0.00 0.02 0.00 0.00 57.03 55.80 1a5u h ASP 3356Cb 1.21 -0.23 -0.17 0.00 0.22 0.00 0.00 39.33 40.36 1a5u h ASP 3356CO 0.91 1.19 -0.71 0.00 -1.72 0.00 0.00 179.24 178.91 1a5u s ILE 3358N -2.83 1.43 0.15 0.00 -4.36 -0.39 -1.34 121.20 113.86 1a5u s ILE 3358Ca 0.05 -1.86 0.01 0.00 -0.26 0.00 0.00 60.65 58.59 1a5u s ILE 3358Cb -0.00 -1.69 -0.04 0.00 1.25 0.00 0.00 42.46 41.98 1a5u s ILE 3358CO -0.03 -0.48 0.01 -0.32 0.24 0.00 0.00 174.94 174.37 1a5u s MET 3359N -2.98 1.01 -0.10 0.37 1.75 -0.59 -1.82 119.30 116.95 1a5u s MET 3359Ca 0.13 -1.48 0.03 0.00 -1.25 0.00 0.00 55.69 53.12 1a5u s MET 3359Cb -0.03 -0.12 0.01 0.00 2.84 0.00 0.00 34.83 37.53 1a5u s MET 3359CO 0.04 -0.15 -0.20 -0.51 -0.65 0.00 0.00 175.02 173.55 1a5u s LEU 3360N -3.12 1.94 0.00 4.11 1.43 0.66 -4.34 118.68 119.36 1a5u s LEU 3360Ca 0.22 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1a5u s LEU 3360Cb 0.06 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 45.05 1a5u s LEU 3360CO 0.02 0.11 0.00 -1.20 0.23 0.00 0.00 176.35 175.50 1a5u n SER 3361N 3.72 0.00 -0.31 2.29 7.64 -1.26 -1.66 113.62 124.04 1a5u n SER 3361Ca -0.20 0.00 0.23 0.00 1.01 0.00 0.00 58.87 59.91 1a5u n SER 3361Cb 0.52 0.00 0.53 0.00 -1.01 0.00 0.00 64.21 64.25 1a5u n SER 3361CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1a5u h GLY 3362N 0.00 1.08 0.36 0.23 0.00 -1.97 0.73 103.07 103.50 1a5u h GLY 3362Ca 0.00 -0.19 0.18 0.00 0.00 0.00 0.00 47.33 47.33 1a5u h GLY 3362CO 0.00 -0.11 0.59 0.83 0.00 0.00 0.00 176.54 177.85 1a5u h GLU 3363N 0.36 0.50 0.00 4.80 3.07 -1.91 -1.52 114.58 119.88 1a5u h GLU 3363Ca 0.58 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 59.33 1a5u h GLU 3363Cb 1.52 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.31 1a5u h GLU 3363CO -0.26 0.33 -1.53 0.25 -1.40 0.00 0.00 179.01 176.40 1a5u n THR 3364N -4.55 0.28 0.03 1.13 -2.24 0.03 -3.47 114.28 105.49 1a5u n THR 3364Ca 0.19 -0.30 -0.19 0.00 -2.27 0.00 0.00 64.05 61.48 1a5u n THR 3364Cb 0.62 -0.19 -0.11 0.00 -2.10 0.00 0.00 70.33 68.55 1a5u n THR 3364CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5u h ALA 3365N 0.70 0.10 0.00 6.98 0.00 -0.62 -3.27 119.26 123.15 1a5u h ALA 3365Ca -0.11 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1a5u h ALA 3365Cb 0.95 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1a5u h ALA 3365CO 0.01 0.56 -0.23 0.36 0.00 0.00 0.00 179.25 179.95 1a5u n LYS 3366N -3.98 3.72 -0.83 0.00 2.85 -0.73 -0.88 118.16 118.31 1a5u n LYS 3366Ca -0.11 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.83 1a5u n LYS 3366Cb 0.82 -0.50 0.14 0.00 -0.65 0.00 0.00 35.03 34.84 1a5u n LYS 3366CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1a5u n GLY 3367N 1.00 -0.74 0.03 2.58 0.00 -0.65 -4.77 105.19 102.64 1a5u n GLY 3367Ca 0.00 -0.66 0.14 0.00 0.00 0.00 0.00 46.02 45.50 1a5u n GLY 3367CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a5u n ASP 3368N -3.16 0.25 -2.71 1.61 8.00 0.20 -4.21 116.55 116.53 1a5u n ASP 3368Ca 0.11 0.01 -0.05 0.00 0.71 0.00 0.00 54.79 55.57 1a5u n ASP 3368Cb 0.52 -0.18 0.04 0.00 -0.02 0.00 0.00 41.12 41.48 1a5u n ASP 3368CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1a5u n TYR 3369N -1.36 1.49 -0.33 1.24 4.01 -1.25 -4.94 117.16 116.01 1a5u n TYR 3369Ca 0.09 -2.23 0.12 0.00 -0.16 0.00 0.00 57.90 55.71 1a5u n TYR 3369Cb 0.32 -0.26 0.30 0.00 -0.31 0.00 0.00 39.34 39.39 1a5u n TYR 3369CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a5u h PRO 3370N 2.59 0.66 -0.21 -0.72 0.13 -1.73 -1.78 132.00 130.94 1a5u h PRO 3370Ca -0.06 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.00 1a5u h PRO 3370Cb 1.29 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1a5u h PRO 3370CO 0.30 0.43 -0.00 -0.07 -0.23 0.00 0.00 178.00 178.43 1a5u h LEU 3371N 0.68 0.37 -1.33 1.56 3.38 -1.92 -2.55 115.31 115.50 1a5u h LEU 3371Ca 0.55 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 1a5u h LEU 3371Cb 0.88 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1a5u h LEU 3371CO -0.40 0.59 -0.31 -0.33 0.09 0.00 0.00 178.44 178.08 1a5u h GLU 3372N 0.13 0.04 -0.38 1.13 3.07 -1.90 -1.77 114.58 114.90 1a5u h GLU 3372Ca 0.06 -0.01 -0.16 0.00 -0.50 0.00 0.00 59.36 58.74 1a5u h GLU 3372Cb 0.41 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 1a5u h GLU 3372CO 0.01 0.35 -0.40 0.00 -1.40 0.00 0.00 179.01 177.57 1a5u h ALA 3373N 1.65 0.58 0.05 3.43 0.00 -1.11 0.73 119.26 124.58 1a5u h ALA 3373Ca 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1a5u h ALA 3373Cb 0.57 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1a5u h ALA 3373CO 0.04 0.68 -0.02 0.28 0.00 0.00 0.00 179.25 180.23 1a5u h VAL 3374N 0.75 1.08 -0.70 0.00 2.07 -1.24 -1.96 116.25 116.26 1a5u h VAL 3374Ca 0.06 -0.42 0.11 0.00 0.82 0.00 0.00 66.70 67.27 1a5u h VAL 3374Cb 0.99 1.36 -0.08 0.00 -1.52 0.00 0.00 31.29 32.04 1a5u h VAL 3374CO 0.10 0.11 0.30 0.03 0.02 0.00 0.00 177.57 178.13 1a5u h ARG 3375N -0.25 0.48 -0.48 1.57 3.08 -1.22 0.09 114.38 117.66 1a5u h ARG 3375Ca -0.01 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1a5u h ARG 3375Cb 0.22 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1a5u h ARG 3375CO 0.01 0.32 0.28 1.98 -1.07 0.00 0.00 179.97 181.49 1a5u h MET 3376N 0.50 0.54 -0.74 0.04 4.05 -0.62 -0.50 114.93 118.20 1a5u h MET 3376Ca 0.36 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.71 1a5u h MET 3376Cb 0.46 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.10 1a5u h MET 3376CO -0.32 0.36 0.31 1.96 0.23 0.00 0.00 176.91 179.45 1a5u h GLN 3377N 0.56 1.10 -0.45 0.39 4.20 -0.55 -0.48 115.11 119.88 1a5u h GLN 3377Ca 0.19 -0.19 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1a5u h GLN 3377Cb 0.02 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.58 1a5u h GLN 3377CO -0.09 0.89 0.24 1.25 -0.67 0.00 0.00 178.83 180.45 1a5u h HIS 3378N 1.07 0.44 0.75 2.96 2.76 -0.42 -0.86 115.15 121.84 1a5u h HIS 3378Ca 0.25 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.40 1a5u h HIS 3378Cb 0.19 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.01 1a5u h HIS 3378CO 0.02 0.24 -0.44 -0.07 -1.30 0.00 0.00 177.93 176.37 1a5u h LEU 3379N 0.48 -1.10 -0.21 0.26 4.07 -0.46 -1.65 115.31 116.69 1a5u h LEU 3379Ca 0.19 0.06 0.05 0.00 0.08 0.00 0.00 57.88 58.26 1a5u h LEU 3379Cb 0.07 0.31 -0.06 0.00 1.08 0.00 0.00 40.66 42.07 1a5u h LEU 3379CO -0.12 -0.69 -0.16 0.40 -1.08 0.00 0.00 178.44 176.79 1a5u h ILE 3380N -1.10 0.54 -0.67 1.22 2.04 -1.08 -2.58 117.51 115.88 1a5u h ILE 3380Ca -0.10 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.90 1a5u h ILE 3380Cb 0.88 0.54 -0.12 0.00 -0.74 0.00 0.00 36.82 37.38 1a5u h ILE 3380CO 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 178.15 178.19 1a5u h ALA 3381N 0.96 0.58 0.00 1.87 0.00 -1.10 0.56 119.26 122.13 1a5u h ALA 3381Ca 0.12 0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 1a5u h ALA 3381Cb 0.35 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1a5u h ALA 3381CO -0.31 -0.42 -0.26 0.07 0.00 0.00 0.00 179.25 178.33 1a5u h ARG 3382N 0.06 0.00 0.00 0.00 0.11 -0.91 -1.04 114.38 112.60 1a5u h ARG 3382Ca 0.34 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.42 1a5u h ARG 3382Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 1a5u h ARG 3382CO -0.64 0.26 -0.00 0.93 0.10 0.00 0.00 179.97 180.62 1a5u h GLU 3383N 0.00 -0.00 0.00 0.08 4.39 -0.82 -3.23 114.58 115.00 1a5u h GLU 3383Ca -0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1a5u h GLU 3383Cb 0.64 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1a5u h GLU 3383CO 0.03 0.65 -0.26 0.00 -1.16 0.00 0.00 179.01 178.27 1a5u h ALA 3384N 0.33 1.27 -0.67 3.43 0.00 -0.93 -2.55 119.26 120.14 1a5u h ALA 3384Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1a5u h ALA 3384Cb 0.65 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1a5u h ALA 3384CO 0.00 0.33 0.31 0.93 0.00 0.00 0.00 179.25 180.82 1a5u h GLU 3385N 0.00 0.98 -0.62 0.00 5.08 -1.22 -2.85 114.58 115.96 1a5u h GLU 3385Ca -0.00 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 1a5u h GLU 3385Cb 0.57 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1a5u h GLU 3385CO 0.03 0.79 0.08 0.00 -1.00 0.00 0.00 179.01 178.91 1a5u h ALA 3386N 1.14 0.82 0.00 3.43 0.00 -1.52 -2.88 119.26 120.25 1a5u h ALA 3386Ca 0.23 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1a5u h ALA 3386Cb 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1a5u h ALA 3386CO -0.03 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.82 1a5u n ALA 3387N -2.45 1.96 -1.69 0.00 0.00 -0.98 -4.55 120.51 112.80 1a5u n ALA 3387Ca 0.03 -0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 1a5u n ALA 3387Cb 0.30 -1.10 0.06 0.00 0.00 0.00 0.00 19.45 18.71 1a5u n ALA 3387CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1a5u s MET 3388N -2.00 2.68 -0.90 0.00 -1.94 -1.09 -4.96 119.30 111.08 1a5u s MET 3388Ca 0.09 0.67 0.00 0.00 -1.71 0.00 0.00 55.69 54.74 1a5u s MET 3388Cb 0.04 -1.98 0.29 0.00 2.01 0.00 0.00 34.83 35.19 1a5u s MET 3388CO 0.07 -1.21 1.22 0.34 -0.01 0.00 0.00 175.02 175.43 1a5u n PHE 3389N -3.16 2.82 -0.30 -0.03 -0.00 -1.26 -4.81 117.46 110.72 1a5u n PHE 3389Ca 0.07 -3.18 -0.08 0.00 -0.00 0.00 0.00 57.45 54.26 1a5u n PHE 3389Cb 0.56 -0.97 -0.04 0.00 -0.00 0.00 0.00 39.48 39.02 1a5u n PHE 3389CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1a5u h HIS 3390N 4.84 -1.45 -0.43 -5.13 3.86 -1.92 -0.80 115.15 114.13 1a5u h HIS 3390Ca 0.21 0.10 0.09 0.00 -1.16 0.00 0.00 60.37 59.61 1a5u h HIS 3390Cb 0.61 0.74 -0.08 0.00 1.06 0.00 0.00 27.41 29.74 1a5u h HIS 3390CO 0.92 -0.41 -0.13 -0.09 0.86 0.00 0.00 177.93 179.08 1a5u h ARG 3391N -0.13 -0.03 -0.14 2.45 1.12 -1.92 0.35 114.38 116.09 1a5u h ARG 3391Ca 0.20 0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 58.91 1a5u h ARG 3391Cb 0.53 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.49 1a5u h ARG 3391CO -0.82 -0.02 -0.61 -0.22 -3.11 0.00 0.00 179.97 175.19 1a5u h LYS 3392N -0.03 0.47 -0.07 0.20 3.64 -1.85 -2.52 116.57 116.41 1a5u h LYS 3392Ca 0.21 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1a5u h LYS 3392Cb 0.35 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1a5u h LYS 3392CO -0.46 0.94 0.01 1.25 -2.27 0.00 0.00 179.45 178.92 1a5u h LEU 3393N 0.35 0.12 -1.02 5.20 5.85 -0.71 0.18 115.31 125.28 1a5u h LEU 3393Ca -0.01 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.46 1a5u h LEU 3393Cb 1.15 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 1a5u h LEU 3393CO 0.11 0.36 0.66 0.15 -0.34 0.00 0.00 178.44 179.38 1a5u h PHE 3394N -0.13 1.25 -0.12 1.25 3.04 -0.32 0.20 116.94 122.11 1a5u h PHE 3394Ca 0.02 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 1a5u h PHE 3394Cb 0.29 -0.42 -0.00 0.00 2.56 0.00 0.00 35.95 38.38 1a5u h PHE 3394CO 0.02 0.77 0.04 0.93 -2.02 0.00 0.00 178.31 178.04 1a5u h GLU 3395N 1.33 0.18 -0.19 1.11 5.08 -1.23 0.10 114.58 120.95 1a5u h GLU 3395Ca 0.37 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.65 1a5u h GLU 3395Cb -0.11 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1a5u h GLU 3395CO -0.09 0.31 -0.09 0.93 -1.00 0.00 0.00 179.01 179.07 1a5u h GLU 3396N 0.01 0.30 -0.08 2.33 5.08 -0.13 -2.35 114.58 119.73 1a5u h GLU 3396Ca 0.04 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1a5u h GLU 3396Cb 0.21 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1a5u h GLU 3396CO -0.00 0.41 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.18 1a5u h LEU 3397N 0.29 0.29 -1.28 1.33 3.38 -0.29 -2.54 115.31 116.49 1a5u h LEU 3397Ca 0.06 -0.57 0.09 0.00 0.09 0.00 0.00 57.88 57.55 1a5u h LEU 3397Cb 0.35 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1a5u h LEU 3397CO 0.02 0.81 0.54 0.00 0.09 0.00 0.00 178.44 179.90 1a5u h ALA 3398N 0.49 1.70 0.42 1.53 0.00 -0.60 -0.75 119.26 122.05 1a5u h ALA 3398Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1a5u h ALA 3398Cb 0.76 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1a5u h ALA 3398CO 0.04 0.14 -0.20 -0.09 0.00 0.00 0.00 179.25 179.13 1a5u h ARG 3399N 0.81 -0.55 -0.11 0.00 1.12 -1.42 -1.77 114.38 112.45 1a5u h ARG 3399Ca 0.38 0.04 0.03 0.00 -1.11 0.00 0.00 59.98 59.32 1a5u h ARG 3399Cb 0.40 0.12 -0.00 0.00 -0.01 0.00 0.00 29.97 30.48 1a5u h ARG 3399CO -0.15 -0.25 0.19 0.66 -3.11 0.00 0.00 179.97 177.32 1a5u h SER 3400N -0.86 0.00 -0.07 -3.80 4.64 -0.97 -1.70 113.55 110.78 1a5u h SER 3400Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1a5u h SER 3400Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1a5u h SER 3400CO 0.10 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.52 1a5u n SER 3401N -3.48 2.92 0.19 4.97 3.41 -0.34 -4.66 113.62 116.63 1a5u n SER 3401Ca 0.00 -1.93 0.15 0.00 -0.26 0.00 0.00 58.87 56.83 1a5u n SER 3401Cb 0.29 -0.03 0.55 0.00 -0.26 0.00 0.00 64.21 64.76 1a5u n SER 3401CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1a5u h SER 3402N 4.32 0.00 1.15 4.04 4.64 -0.40 -0.97 113.55 126.34 1a5u h SER 3402Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1a5u h SER 3402Cb 0.93 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1a5u h SER 3402CO 0.00 0.00 -0.29 0.45 -0.87 0.00 0.00 176.83 176.12 1a5u h HIS 3403N 0.00 0.00 -3.18 4.77 3.86 -1.83 -3.43 115.15 115.34 1a5u h HIS 3403Ca 0.12 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.74 1a5u h HIS 3403Cb 1.42 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.84 1a5u h HIS 3403CO 0.00 0.29 -0.12 0.45 0.86 0.00 0.00 177.93 179.42 1a5u s SER 3404N -6.28 6.87 -0.20 2.45 0.15 -0.37 -4.95 113.70 111.36 1a5u s SER 3404Ca 0.02 1.03 0.14 0.00 0.70 0.00 0.00 55.95 57.84 1a5u s SER 3404Cb 0.09 -2.30 0.42 0.00 -1.71 0.00 0.00 66.02 62.52 1a5u s SER 3404CO 0.67 0.21 1.30 0.35 1.20 0.00 0.00 173.24 176.96 1a5u n THR 3405N 2.34 2.22 -1.72 6.45 -2.24 -1.26 -5.02 114.28 115.06 1a5u n THR 3405Ca -0.10 -2.63 -0.43 0.00 -2.27 0.00 0.00 64.05 58.61 1a5u n THR 3405Cb 0.52 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.46 1a5u n THR 3405CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1a5u n ASP 3406N -1.12 3.60 -0.22 3.42 2.03 -1.26 -4.89 116.55 118.12 1a5u n ASP 3406Ca 0.22 1.12 -0.08 0.00 0.52 0.00 0.00 54.79 56.57 1a5u n ASP 3406Cb 0.80 -1.54 0.03 0.00 -0.72 0.00 0.00 41.12 39.69 1a5u n ASP 3406CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1a5u h LEU 3407N 5.33 0.92 -0.71 -2.67 4.07 -1.98 0.10 115.31 120.38 1a5u h LEU 3407Ca -0.45 -0.23 -0.14 0.00 0.08 0.00 0.00 57.88 57.14 1a5u h LEU 3407Cb 1.23 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.71 1a5u h LEU 3407CO 0.84 0.92 -0.60 -0.03 -1.08 0.00 0.00 178.44 178.49 1a5u h MET 3408N 0.89 0.16 -0.56 1.13 4.05 -1.92 -0.43 114.93 118.25 1a5u h MET 3408Ca 0.19 -0.11 -0.04 0.00 -0.28 0.00 0.00 59.70 59.45 1a5u h MET 3408Cb 0.35 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.15 1a5u h MET 3408CO 0.00 0.71 0.18 0.93 0.23 0.00 0.00 176.91 178.96 1a5u h GLU 3409N 0.12 0.87 -0.84 0.39 5.08 -1.83 0.34 114.58 118.71 1a5u h GLU 3409Ca -0.01 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1a5u h GLU 3409Cb 1.08 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.16 1a5u h GLU 3409CO 0.09 0.79 0.54 0.00 -1.00 0.00 0.00 179.01 179.43 1a5u h ALA 3410N 1.04 1.09 -0.54 3.43 0.00 -0.46 -0.89 119.26 122.94 1a5u h ALA 3410Ca 0.18 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1a5u h ALA 3410Cb 0.28 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1a5u h ALA 3410CO -0.01 0.40 -0.03 0.52 0.00 0.00 0.00 179.25 180.13 1a5u h MET 3411N 1.08 0.97 -0.00 0.00 2.86 -0.53 -2.15 114.93 117.16 1a5u h MET 3411Ca 0.33 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1a5u h MET 3411Cb -0.04 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.54 1a5u h MET 3411CO -0.10 1.00 -0.00 0.00 1.06 0.00 0.00 176.91 178.87 1a5u h ALA 3412N 0.94 0.00 -0.39 6.32 0.00 -0.37 -1.74 119.26 124.03 1a5u h ALA 3412Ca 0.15 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1a5u h ALA 3412Cb 0.58 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1a5u h ALA 3412CO 0.03 -0.32 0.19 0.52 0.00 0.00 0.00 179.25 179.67 1a5u h MET 3413N -0.34 0.38 -0.41 0.00 2.86 -1.23 0.14 114.93 116.33 1a5u h MET 3413Ca 0.00 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1a5u h MET 3413Cb 0.35 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1a5u h MET 3413CO 0.00 0.25 0.18 0.78 1.06 0.00 0.00 176.91 179.18 1a5u h GLY 3414N 0.39 0.61 1.24 8.32 0.00 -1.41 -0.93 103.07 111.29 1a5u h GLY 3414Ca 0.17 -0.28 -0.34 0.00 0.00 0.00 0.00 47.33 46.88 1a5u h GLY 3414CO -0.12 0.27 -1.51 1.76 0.00 0.00 0.00 176.54 176.94 1a5u h SER 3415N 0.57 0.78 0.29 0.19 0.02 -0.66 -2.40 113.55 112.34 1a5u h SER 3415Ca 0.14 -0.88 -0.01 0.00 -0.84 0.00 0.00 61.79 60.20 1a5u h SER 3415Cb 0.09 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1a5u h SER 3415CO -0.02 1.70 -0.14 0.58 -1.14 0.00 0.00 176.83 177.81 1a5u h VAL 3416N 0.14 0.74 -0.41 2.27 2.07 -0.63 0.14 116.25 120.57 1a5u h VAL 3416Ca -0.26 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.03 1a5u h VAL 3416Cb 2.15 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 32.73 1a5u h VAL 3416CO 0.26 0.06 -0.55 -0.08 0.02 0.00 0.00 177.57 177.28 1a5u h GLU 3417N -0.54 -0.37 -0.60 1.57 4.57 -1.29 0.26 114.58 118.18 1a5u h GLU 3417Ca -0.04 0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.25 1a5u h GLU 3417Cb 0.40 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 1a5u h GLU 3417CO 0.07 -0.25 0.40 0.00 -1.18 0.00 0.00 179.01 178.05 1a5u h ALA 3418N -0.06 1.97 -0.05 2.92 0.00 -1.30 -0.04 119.26 122.70 1a5u h ALA 3418Ca 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1a5u h ALA 3418Cb 0.58 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1a5u h ALA 3418CO -0.59 -0.10 -0.29 0.66 0.00 0.00 0.00 179.25 178.93 1a5u h SER 3419N 0.45 0.08 0.11 0.00 4.64 0.23 -2.89 113.55 116.18 1a5u h SER 3419Ca 0.27 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 1a5u h SER 3419Cb 0.48 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1a5u h SER 3419CO -0.08 0.38 -0.06 1.88 -0.87 0.00 0.00 176.83 178.08 1a5u h TYR 3420N 0.08 -0.14 -0.17 4.77 0.05 0.94 -1.07 116.97 121.42 1a5u h TYR 3420Ca 0.01 -0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.83 1a5u h TYR 3420Cb 0.56 0.05 -0.07 0.00 1.01 0.00 0.00 36.73 38.27 1a5u h TYR 3420CO 0.00 0.32 -0.43 -0.22 -1.05 0.00 0.00 178.16 176.78 1a5u h LYS 3421N -0.70 -0.46 -0.50 4.88 1.63 -1.35 -1.88 116.57 118.18 1a5u h LYS 3421Ca -0.02 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1a5u h LYS 3421Cb 0.53 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 1a5u h LYS 3421CO 0.03 -0.31 0.00 0.00 -3.45 0.00 0.00 179.45 175.72 1a5u n LEU 3423N 0.63 -0.74 -4.76 0.00 4.77 -0.71 -4.86 117.00 111.33 1a5u n LEU 3423Ca 0.14 -1.26 -0.39 0.00 -0.03 0.00 0.00 56.01 54.48 1a5u n LEU 3423Cb 0.45 -1.71 0.02 0.00 -2.33 0.00 0.00 43.42 39.85 1a5u n LEU 3423CO 0.12 0.69 0.98 0.00 -1.33 0.00 0.00 177.39 177.84 1a5u s ALA 3424N -3.75 3.05 0.23 -1.18 0.00 -0.43 -4.91 121.76 114.76 1a5u s ALA 3424Ca 0.35 1.29 0.36 0.00 0.00 0.00 0.00 51.96 53.96 1a5u s ALA 3424Cb -0.18 -3.53 1.66 0.00 0.00 0.00 0.00 23.12 21.07 1a5u s ALA 3424CO 0.97 -1.10 2.08 0.00 0.00 0.00 0.00 175.76 177.71 1a5u h ALA 3425N 2.05 1.00 0.00 0.00 0.00 -0.66 -3.43 119.26 118.22 1a5u h ALA 3425Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1a5u h ALA 3425Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1a5u h ALA 3425CO 0.60 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1a5u n ALA 3426N -2.06 0.00 -2.70 0.00 0.00 -1.26 -4.23 120.51 110.26 1a5u n ALA 3426Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1a5u n ALA 3426Cb 0.23 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.59 1a5u n ALA 3426CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a5u s LEU 3427N 0.00 3.63 -0.18 0.00 1.02 -0.23 -1.94 118.68 120.98 1a5u s LEU 3427Ca 0.00 0.11 -0.02 0.00 0.02 0.00 0.00 54.13 54.24 1a5u s LEU 3427Cb 0.00 -1.94 -0.00 0.00 0.02 0.00 0.00 46.19 44.26 1a5u s LEU 3427CO 0.00 0.34 -0.11 -0.63 0.02 0.00 0.00 176.35 175.97 1a5u s ILE 3428N -0.99 2.98 -0.15 -0.59 1.01 0.28 -0.38 121.20 123.36 1a5u s ILE 3428Ca 0.16 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.18 1a5u s ILE 3428Cb -0.11 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.06 1a5u s ILE 3428CO 0.06 0.48 -0.19 -0.69 0.00 0.00 0.00 174.94 174.61 1a5u s VAL 3429N 1.05 2.34 -0.34 2.92 1.01 -0.28 -0.10 120.40 126.99 1a5u s VAL 3429Ca -0.00 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 60.92 1a5u s VAL 3429Cb -0.15 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1a5u s VAL 3429CO -0.02 0.53 0.52 -0.76 0.00 0.00 0.00 175.10 175.37 1a5u s LEU 3430N 0.89 4.31 0.03 3.92 1.02 -0.67 -1.48 118.68 126.71 1a5u s LEU 3430Ca -0.05 0.03 0.02 0.00 0.02 0.00 0.00 54.13 54.16 1a5u s LEU 3430Cb -0.15 -2.60 -0.02 0.00 0.02 0.00 0.00 46.19 43.44 1a5u s LEU 3430CO -0.03 -0.47 -0.08 0.28 0.02 0.00 0.00 176.35 176.08 1a5u s THR 3431N 2.41 0.53 -0.18 5.49 -1.32 -0.33 -4.81 115.64 117.43 1a5u s THR 3431Ca 0.19 -0.93 -0.10 0.00 -1.21 0.00 0.00 61.69 59.64 1a5u s THR 3431Cb -0.15 -0.58 -0.08 0.00 -1.51 0.00 0.00 72.50 70.18 1a5u s THR 3431CO 0.13 -0.29 -0.25 -0.62 -2.21 0.00 0.00 174.62 171.39 1a5u n GLU 3432N 1.73 0.40 0.04 7.08 -0.58 -1.26 -3.64 120.64 124.41 1a5u n GLU 3432Ca -0.21 0.17 0.13 0.00 -0.42 0.00 0.00 57.16 56.83 1a5u n GLU 3432Cb 0.55 -1.17 0.41 0.00 -0.57 0.00 0.00 31.44 30.66 1a5u n GLU 3432CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1a5u n SER 3433N -3.89 0.47 0.00 1.62 3.41 -1.26 -4.58 113.62 109.38 1a5u n SER 3433Ca -0.34 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1a5u n SER 3433Cb 0.72 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1a5u n SER 3433CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a5u n GLY 3434N 1.41 2.43 0.31 5.00 0.00 -1.26 -4.89 105.19 108.19 1a5u n GLY 3434Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.12 1a5u n GLY 3434CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1a5u h ARG 3435N 1.93 0.49 -0.13 1.61 2.43 -1.96 -1.87 114.38 116.89 1a5u h ARG 3435Ca 0.00 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 1a5u h ARG 3435Cb 0.00 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1a5u h ARG 3435CO 0.00 0.32 -0.46 0.77 -1.51 0.00 0.00 179.97 179.09 1a5u h SER 3436N 0.50 0.34 -0.15 -3.80 0.02 -1.94 -2.42 113.55 106.10 1a5u h SER 3436Ca 0.14 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1a5u h SER 3436Cb -0.04 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 1a5u h SER 3436CO -0.03 0.75 -0.17 0.00 -1.14 0.00 0.00 176.83 176.24 1a5u h ALA 3437N 1.26 0.22 -0.75 3.77 0.00 -1.83 -2.85 119.26 119.08 1a5u h ALA 3437Ca 0.02 -0.34 0.10 0.00 0.00 0.00 0.00 54.91 54.69 1a5u h ALA 3437Cb 0.91 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1a5u h ALA 3437CO 0.08 0.13 0.49 0.45 0.00 0.00 0.00 179.25 180.40 1a5u h HIS 3438N 0.01 0.70 0.00 0.00 -0.00 -1.22 0.36 115.15 115.00 1a5u h HIS 3438Ca 0.02 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.36 1a5u h HIS 3438Cb 0.71 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.89 1a5u h HIS 3438CO 0.09 0.33 -0.24 1.96 -0.00 0.00 0.00 177.93 180.06 1a5u h GLN 3439N 0.65 0.00 0.19 2.45 1.08 -1.29 -1.97 115.11 116.23 1a5u h GLN 3439Ca 0.35 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 57.21 1a5u h GLN 3439Cb 0.48 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.92 1a5u h GLN 3439CO -0.13 0.24 -1.59 0.28 -0.95 0.00 0.00 178.83 176.68 1a5u h VAL 3440N 0.00 1.13 0.00 -0.54 2.07 -0.18 -3.28 116.25 115.44 1a5u h VAL 3440Ca -0.00 -2.67 -0.05 0.00 0.82 0.00 0.00 66.70 64.80 1a5u h VAL 3440Cb 0.69 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.32 1a5u h VAL 3440CO 0.03 0.84 -0.24 0.00 0.02 0.00 0.00 177.57 178.22 1a5u h ALA 3441N 0.23 1.45 0.00 1.67 0.00 -0.63 -1.91 119.26 120.07 1a5u h ALA 3441Ca -0.28 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1a5u h ALA 3441Cb 2.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1a5u h ALA 3441CO 0.21 0.30 0.00 0.07 0.00 0.00 0.00 179.25 179.83 1a5u h ARG 3442N 0.00 0.00 0.00 0.00 0.11 -1.42 -2.00 114.38 111.07 1a5u h ARG 3442Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1a5u h ARG 3442Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 1a5u h ARG 3442CO 0.03 0.00 -0.63 0.66 0.10 0.00 0.00 179.97 180.13 1a5u n TYR 3443N -2.66 0.10 -2.71 4.08 4.01 -0.72 -5.00 117.16 114.25 1a5u n TYR 3443Ca 0.01 0.03 -0.03 0.00 -0.16 0.00 0.00 57.90 57.75 1a5u n TYR 3443Cb 0.25 -0.30 0.01 0.00 -0.31 0.00 0.00 39.34 39.00 1a5u n TYR 3443CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1a5u n ARG 3444N -1.63 -1.18 -1.38 -0.72 5.12 -0.75 -4.69 116.66 111.44 1a5u n ARG 3444Ca 0.05 1.09 -0.29 0.00 -1.93 0.00 0.00 57.85 56.76 1a5u n ARG 3444Cb 0.36 -4.73 0.19 0.00 -1.16 0.00 0.00 32.46 27.13 1a5u n ARG 3444CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1a5u s PRO 3445N -3.28 -0.01 -0.21 5.56 0.04 -1.26 -4.91 135.00 130.92 1a5u s PRO 3445Ca 0.09 0.04 0.15 0.00 0.04 0.00 0.00 61.00 61.32 1a5u s PRO 3445Cb -0.01 -1.73 -0.23 0.00 0.04 0.00 0.00 34.50 32.57 1a5u s PRO 3445CO 0.56 -2.93 0.03 -2.13 0.04 0.00 0.00 177.00 172.57 1a5u n ARG 3446N -4.23 0.68 -1.84 4.56 0.63 -1.26 -4.93 116.66 110.27 1a5u n ARG 3446Ca 0.11 0.03 -0.33 0.00 -0.92 0.00 0.00 57.85 56.73 1a5u n ARG 3446Cb 0.59 -1.53 0.04 0.00 0.45 0.00 0.00 32.46 32.01 1a5u n ARG 3446CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1a5u s ALA 3447N -2.50 2.50 0.32 5.13 0.00 -1.26 -5.01 121.76 120.94 1a5u s ALA 3447Ca -0.15 0.62 -0.27 0.00 0.00 0.00 0.00 51.96 52.16 1a5u s ALA 3447Cb 0.07 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 1a5u s ALA 3447CO 0.78 -1.20 0.99 -1.25 0.00 0.00 0.00 175.76 175.09 1a5u s PRO 3448N -3.92 4.56 -0.29 0.00 0.04 -1.26 -4.70 135.00 129.43 1a5u s PRO 3448Ca 0.68 1.48 -0.16 0.00 0.04 0.00 0.00 61.00 63.05 1a5u s PRO 3448Cb -0.22 -2.90 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 1a5u s PRO 3448CO 0.39 0.23 0.41 0.42 0.04 0.00 0.00 177.00 178.48 1a5u s ILE 3449N -1.46 5.14 -0.37 0.56 1.01 -0.53 -1.06 121.20 124.48 1a5u s ILE 3449Ca 0.49 0.53 -0.08 0.00 0.00 0.00 0.00 60.65 61.58 1a5u s ILE 3449Cb -0.23 -3.76 0.05 0.00 0.01 0.00 0.00 42.46 38.53 1a5u s ILE 3449CO 0.29 0.08 0.18 -0.63 0.00 0.00 0.00 174.94 174.86 1a5u s ILE 3450N 2.14 4.14 -0.24 2.92 1.01 0.49 0.01 121.20 131.66 1a5u s ILE 3450Ca 0.16 -1.15 -0.09 0.00 0.00 0.00 0.00 60.65 59.57 1a5u s ILE 3450Cb -0.16 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 1a5u s ILE 3450CO 0.10 -0.30 0.12 0.00 0.00 0.00 0.00 174.94 174.87 1a5u s ALA 3451N 1.45 3.43 -0.28 9.38 0.00 -0.76 -1.12 121.76 133.86 1a5u s ALA 3451Ca 0.01 -0.97 -0.10 0.00 0.00 0.00 0.00 51.96 50.90 1a5u s ALA 3451Cb -0.20 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 1a5u s ALA 3451CO 0.04 -0.27 0.15 0.08 0.00 0.00 0.00 175.76 175.75 1a5u s VAL 3452N 1.22 4.85 0.04 0.00 1.01 -0.55 0.05 120.40 127.02 1a5u s VAL 3452Ca 0.06 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1a5u s VAL 3452Cb -0.14 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1a5u s VAL 3452CO 0.05 0.23 -0.05 0.28 0.00 0.00 0.00 175.10 175.61 1a5u s THR 3453N 1.68 0.37 -1.86 3.92 -1.32 -0.76 -1.19 115.64 116.49 1a5u s THR 3453Ca 0.06 -1.18 0.24 0.00 -1.21 0.00 0.00 61.69 59.61 1a5u s THR 3453Cb -0.16 -0.68 0.13 0.00 -1.51 0.00 0.00 72.50 70.27 1a5u s THR 3453CO 0.08 -0.54 1.33 0.54 -2.21 0.00 0.00 174.62 173.82 1a5u n ARG 3454N 1.22 0.98 -2.99 7.08 1.74 -1.26 -1.12 116.66 122.30 1a5u n ARG 3454Ca -0.21 -0.71 -0.43 0.00 -0.77 0.00 0.00 57.85 55.73 1a5u n ARG 3454Cb 0.56 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.46 1a5u n ARG 3454CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1a5u s ASN 3455N -2.51 6.36 0.52 0.55 3.84 -1.26 -4.86 114.94 117.57 1a5u s ASN 3455Ca 0.21 -0.30 0.23 0.00 0.21 0.00 0.00 52.86 53.21 1a5u s ASN 3455Cb 0.19 -2.37 1.40 0.00 -0.55 0.00 0.00 41.25 39.92 1a5u s ASN 3455CO 0.56 -0.95 2.11 0.45 -2.79 0.00 0.00 177.10 176.47 1a5u h HIS 3456N 9.03 0.00 0.19 0.43 3.86 -1.94 -1.73 115.15 125.00 1a5u h HIS 3456Ca -0.25 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.62 1a5u h HIS 3456Cb 1.09 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.57 1a5u h HIS 3456CO 0.80 0.09 -1.66 0.37 0.86 0.00 0.00 177.93 178.40 1a5u h GLN 3457N 0.00 0.41 -0.75 2.45 4.15 -1.95 -2.61 115.11 116.80 1a5u h GLN 3457Ca -0.00 -0.70 0.10 0.00 0.77 0.00 0.00 58.65 58.81 1a5u h GLN 3457Cb 0.21 0.26 -0.07 0.00 0.21 0.00 0.00 27.48 28.08 1a5u h GLN 3457CO 0.01 1.34 0.39 1.15 -1.93 0.00 0.00 178.83 179.79 1a5u h THR 3458N 0.07 0.86 0.00 2.39 2.02 -1.78 0.12 112.91 116.59 1a5u h THR 3458Ca -0.32 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 66.53 1a5u h THR 3458Cb 2.08 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 1a5u h THR 3458CO 0.19 0.12 -0.47 0.00 0.37 0.00 0.00 175.52 175.73 1a5u h ALA 3459N 1.44 1.21 0.13 6.16 0.00 -1.38 -0.76 119.26 126.06 1a5u h ALA 3459Ca 0.37 -0.43 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 1a5u h ALA 3459Cb 0.38 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.11 1a5u h ALA 3459CO -0.27 0.59 -1.24 0.00 0.00 0.00 0.00 179.25 178.33 1a5u h ARG 3460N 0.00 0.44 -0.18 0.00 3.08 -0.84 -3.32 114.38 113.55 1a5u h ARG 3460Ca -0.00 -0.64 -0.14 0.00 0.07 0.00 0.00 59.98 59.27 1a5u h ARG 3460Cb 0.84 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1a5u h ARG 3460CO 0.06 1.28 -0.46 1.96 -1.07 0.00 0.00 179.97 181.74 1a5u h GLN 3461N 0.17 0.46 -0.45 0.04 4.20 -0.68 -3.21 115.11 115.64 1a5u h GLN 3461Ca -0.16 -0.25 0.13 0.00 0.06 0.00 0.00 58.65 58.43 1a5u h GLN 3461Cb 1.93 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.70 1a5u h GLN 3461CO 0.22 0.83 0.61 0.00 -0.67 0.00 0.00 178.83 179.82 1a5u h ALA 3462N 1.13 2.16 0.00 3.87 0.00 -1.24 0.16 119.26 125.34 1a5u h ALA 3462Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a5u h ALA 3462Cb 0.95 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1a5u h ALA 3462CO 0.08 -0.85 0.00 0.72 0.00 0.00 0.00 179.25 179.20 1a5u n HIS 3463N -3.42 0.22 0.62 0.00 8.25 -1.21 -1.00 115.22 118.68 1a5u n HIS 3463Ca 0.09 0.10 0.13 0.00 -0.26 0.00 0.00 57.72 57.78 1a5u n HIS 3463Cb 0.79 -0.66 0.44 0.00 1.12 0.00 0.00 29.99 31.67 1a5u n HIS 3463CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1a5u n LEU 3464N -1.72 0.70 -4.56 2.41 7.94 0.55 -4.52 117.00 117.80 1a5u n LEU 3464Ca 0.01 0.58 -0.34 0.00 -1.11 0.00 0.00 56.01 55.16 1a5u n LEU 3464Cb 0.09 -0.39 -0.11 0.00 0.53 0.00 0.00 43.42 43.55 1a5u n LEU 3464CO 0.08 -0.23 -0.30 -0.31 -1.11 0.00 0.00 177.39 175.52 1a5u s TYR 3465N -3.13 3.13 0.04 1.96 1.51 -0.17 -4.56 117.35 116.13 1a5u s TYR 3465Ca 0.10 -0.13 -0.36 0.00 -1.01 0.00 0.00 57.07 55.67 1a5u s TYR 3465Cb 0.12 -2.02 -0.15 0.00 -0.11 0.00 0.00 41.96 39.81 1a5u s TYR 3465CO 0.55 0.05 1.57 -2.13 -1.11 0.00 0.00 175.55 174.48 1a5u n ARG 3466N 3.55 1.71 -1.82 -0.62 3.00 -1.26 -2.45 116.66 118.77 1a5u n ARG 3466Ca -0.17 0.62 -0.10 0.00 -0.00 0.00 0.00 57.85 58.20 1a5u n ARG 3466Cb 0.52 -2.35 -0.02 0.00 0.00 0.00 0.00 32.46 30.61 1a5u n ARG 3466CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a5u n GLY 3467N 3.40 0.46 3.55 5.14 0.00 0.46 -4.72 105.19 113.47 1a5u n GLY 3467Ca 0.20 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1a5u n GLY 3467CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5u s ILE 3468N -2.45 4.64 -0.54 -0.61 1.01 -1.03 -1.45 121.20 120.78 1a5u s ILE 3468Ca 0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 60.65 60.48 1a5u s ILE 3468Cb 0.00 -3.14 0.14 0.00 0.01 0.00 0.00 42.46 39.47 1a5u s ILE 3468CO 0.00 0.39 0.42 -0.36 0.00 0.00 0.00 174.94 175.39 1a5u s PHE 3469N 1.04 3.45 0.18 3.97 0.40 0.10 -4.58 117.98 122.54 1a5u s PHE 3469Ca 0.04 -1.93 -0.31 0.00 -0.60 0.00 0.00 56.93 54.13 1a5u s PHE 3469Cb -0.14 -3.53 -0.10 0.00 0.51 0.00 0.00 43.02 39.76 1a5u s PHE 3469CO 0.03 -0.98 1.54 -1.25 0.70 0.00 0.00 175.22 175.26 1a5u s PRO 3470N 1.08 4.22 -0.09 0.24 0.04 -1.26 -1.84 135.00 137.39 1a5u s PRO 3470Ca 0.08 2.35 -0.01 0.00 0.04 0.00 0.00 61.00 63.46 1a5u s PRO 3470Cb -0.24 -3.14 0.03 0.00 0.04 0.00 0.00 34.50 31.18 1a5u s PRO 3470CO -0.02 -0.57 -0.03 0.08 0.04 0.00 0.00 177.00 176.50 1a5u s VAL 3471N 0.90 0.67 -0.29 -0.36 1.01 0.11 -4.64 120.40 117.79 1a5u s VAL 3471Ca 0.68 -0.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.38 1a5u s VAL 3471Cb -0.43 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1a5u s VAL 3471CO 0.34 0.29 0.61 -0.69 0.00 0.00 0.00 175.10 175.65 1a5u s VAL 3472N 1.85 4.97 0.05 2.92 1.01 -1.26 -1.83 120.40 128.12 1a5u s VAL 3472Ca 0.05 0.92 -0.28 0.00 0.00 0.00 0.00 61.98 62.67 1a5u s VAL 3472Cb -0.13 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1a5u s VAL 3472CO -0.07 -0.07 0.88 0.00 0.00 0.00 0.00 175.10 175.84 1a5u n LYS 3474N 3.07 1.81 -3.59 0.00 5.02 -1.26 -4.58 118.16 118.62 1a5u n LYS 3474Ca 0.01 -1.94 -0.19 0.00 -2.02 0.00 0.00 58.31 54.17 1a5u n LYS 3474Cb 0.50 -1.18 -0.01 0.00 -0.02 0.00 0.00 35.03 34.32 1a5u n LYS 3474CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a5u s ASP 3475N -1.86 6.01 0.49 4.39 1.11 -1.26 -5.07 116.67 120.49 1a5u s ASP 3475Ca 0.16 -0.15 -0.21 0.00 0.18 0.00 0.00 52.55 52.53 1a5u s ASP 3475Cb 0.14 -1.35 -0.07 0.00 1.07 0.00 0.00 42.92 42.70 1a5u s ASP 3475CO 0.01 -0.35 1.11 -2.16 1.18 0.00 0.00 175.17 174.96 1a5u s PRO 3476N -4.12 3.64 0.32 8.23 0.04 -1.26 -4.97 135.00 136.89 1a5u s PRO 3476Ca 0.42 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.76 1a5u s PRO 3476Cb -0.09 -2.19 -0.11 0.00 0.04 0.00 0.00 34.50 32.15 1a5u s PRO 3476CO 0.30 -0.60 1.57 0.28 0.04 0.00 0.00 177.00 178.59 1a5u n VAL 3477N -0.88 1.35 -3.03 -0.36 0.31 -1.26 -4.96 118.33 109.50 1a5u n VAL 3477Ca 0.09 -0.34 -0.34 0.00 -0.01 0.00 0.00 64.34 63.74 1a5u n VAL 3477Cb 0.50 -1.98 -0.06 0.00 -0.91 0.00 0.00 33.84 31.39 1a5u n VAL 3477CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1a5u s GLN 3478N -1.04 4.20 0.25 5.55 -1.52 -1.26 -4.99 119.66 120.86 1a5u s GLN 3478Ca 0.60 0.89 -0.05 0.00 -1.95 0.00 0.00 55.36 54.86 1a5u s GLN 3478Cb -0.49 -2.60 0.49 0.00 -0.22 0.00 0.00 33.01 30.19 1a5u s GLN 3478CO 0.54 0.23 1.65 1.05 -0.25 0.00 0.00 175.29 178.50 1a5u h GLU 3479N 2.73 0.15 -5.20 2.91 4.11 -1.98 -3.38 114.58 113.92 1a5u h GLU 3479Ca -0.48 -0.01 -0.63 0.00 0.07 0.00 0.00 59.36 58.31 1a5u h GLU 3479Cb 1.18 -0.03 -0.19 0.00 0.50 0.00 0.00 28.75 30.21 1a5u h GLU 3479CO 0.65 0.10 -0.61 0.00 0.07 0.00 0.00 179.01 179.22 1a5u s ALA 3480N -6.07 3.23 0.28 1.06 0.00 -1.26 -4.99 121.76 114.01 1a5u s ALA 3480Ca -0.13 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 1a5u s ALA 3480Cb 0.23 -1.86 0.63 0.00 0.00 0.00 0.00 23.12 22.12 1a5u s ALA 3480CO 0.76 0.02 1.62 2.35 0.00 0.00 0.00 175.76 180.51 1a5u h TRP 3481N 7.09 0.12 -0.12 0.00 -0.00 -1.99 0.12 115.95 121.17 1a5u h TRP 3481Ca -0.36 0.06 0.04 0.00 -0.00 0.00 0.00 58.89 58.63 1a5u h TRP 3481Cb 1.18 0.08 -0.07 0.00 -0.00 0.00 0.00 29.16 30.35 1a5u h TRP 3481CO 0.58 -0.28 -0.44 0.00 -0.00 0.00 0.00 178.44 178.31 1a5u h ALA 3482N 1.81 -0.64 -0.27 2.65 0.00 -1.94 0.64 119.26 121.51 1a5u h ALA 3482Ca 0.52 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.44 1a5u h ALA 3482Cb 1.02 0.82 -0.03 0.00 0.00 0.00 0.00 17.79 19.60 1a5u h ALA 3482CO -0.72 -0.95 0.11 0.93 0.00 0.00 0.00 179.25 178.61 1a5u h GLU 3483N -0.51 0.23 -0.93 0.00 3.07 -1.31 0.72 114.58 115.84 1a5u h GLU 3483Ca 0.07 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1a5u h GLU 3483Cb 0.64 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.45 1a5u h GLU 3483CO -0.40 0.15 0.56 0.22 -1.40 0.00 0.00 179.01 178.14 1a5u h ASP 3484N 0.24 1.11 0.39 1.42 3.58 0.08 0.20 116.42 123.44 1a5u h ASP 3484Ca 0.12 -0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 1a5u h ASP 3484Cb 0.07 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.84 1a5u h ASP 3484CO -0.11 0.85 -0.20 0.58 -2.88 0.00 0.00 179.24 177.48 1a5u h VAL 3485N 1.28 0.58 -0.83 2.25 2.07 0.73 -2.35 116.25 119.98 1a5u h VAL 3485Ca 0.33 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.02 1a5u h VAL 3485Cb -0.06 0.58 -0.10 0.00 -1.52 0.00 0.00 31.29 30.19 1a5u h VAL 3485CO -0.06 0.00 0.38 0.44 0.02 0.00 0.00 177.57 178.34 1a5u h ASP 3486N -0.55 0.38 -0.88 0.57 3.32 -0.25 0.18 116.42 119.20 1a5u h ASP 3486Ca -0.05 0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.18 1a5u h ASP 3486Cb 0.43 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.99 1a5u h ASP 3486CO 0.07 0.12 0.55 0.25 -1.72 0.00 0.00 179.24 178.51 1a5u h LEU 3487N 0.50 0.86 -0.11 1.55 6.46 -0.27 -2.08 115.31 122.22 1a5u h LEU 3487Ca 0.47 0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 58.19 1a5u h LEU 3487Cb 0.76 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1a5u h LEU 3487CO -0.43 0.55 -0.16 0.03 -0.62 0.00 0.00 178.44 177.81 1a5u h ARG 3488N 0.99 0.29 -0.25 1.25 3.08 -0.17 -1.80 114.38 117.78 1a5u h ARG 3488Ca 0.38 -0.17 0.06 0.00 0.07 0.00 0.00 59.98 60.32 1a5u h ARG 3488Cb 0.18 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 1a5u h ARG 3488CO -0.18 0.75 -0.14 0.28 -1.07 0.00 0.00 179.97 179.61 1a5u h VAL 3489N -0.13 0.57 -0.72 2.04 2.07 -1.04 0.02 116.25 119.07 1a5u h VAL 3489Ca 0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.62 1a5u h VAL 3489Cb 0.72 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1a5u h VAL 3489CO 0.04 0.00 0.47 0.78 0.02 0.00 0.00 177.57 178.88 1a5u h ASN 3490N -0.12 0.55 -0.23 0.57 2.35 -1.41 0.69 115.58 117.98 1a5u h ASN 3490Ca 0.14 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1a5u h ASN 3490Cb 0.32 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1a5u h ASN 3490CO -0.32 0.33 0.09 0.25 -1.65 0.00 0.00 177.43 176.13 1a5u h LEU 3491N 0.61 0.12 -0.32 1.61 5.85 -0.13 0.13 115.31 123.17 1a5u h LEU 3491Ca 0.33 0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.08 1a5u h LEU 3491Cb 0.47 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1a5u h LEU 3491CO -0.11 0.10 0.20 0.00 -0.34 0.00 0.00 178.44 178.29 1a5u h ALA 3492N 1.13 0.41 -0.47 1.25 0.00 0.10 -2.42 119.26 119.27 1a5u h ALA 3492Ca 0.10 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1a5u h ALA 3492Cb 0.05 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.64 1a5u h ALA 3492CO -0.09 -0.15 -0.17 0.52 0.00 0.00 0.00 179.25 179.36 1a5u h MET 3493N 0.41 -0.07 0.00 0.00 2.86 0.75 -1.45 114.93 117.43 1a5u h MET 3493Ca 0.12 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1a5u h MET 3493Cb -0.02 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 1a5u h MET 3493CO -0.04 -0.04 -0.15 -0.91 1.06 0.00 0.00 176.91 176.82 1a5u h ASN 3494N -0.07 0.00 0.01 1.22 4.21 -0.35 -2.97 115.58 117.63 1a5u h ASN 3494Ca 0.23 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.72 1a5u h ASN 3494Cb 0.42 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 1a5u h ASN 3494CO -0.52 0.15 -0.07 0.58 -1.29 0.00 0.00 177.43 176.28 1a5u h VAL 3495N 0.00 1.71 -0.26 2.81 2.07 -0.81 -2.55 116.25 119.23 1a5u h VAL 3495Ca -0.00 -2.19 -0.01 0.00 0.82 0.00 0.00 66.70 65.32 1a5u h VAL 3495Cb 0.32 3.19 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 1a5u h VAL 3495CO 0.02 0.57 0.11 1.23 0.02 0.00 0.00 177.57 179.53 1a5u h GLY 3496N -0.86 0.38 0.69 2.17 0.00 -1.49 1.01 103.07 104.97 1a5u h GLY 3496Ca -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1a5u h GLY 3496CO 0.01 0.16 -0.33 0.50 0.00 0.00 0.00 176.54 176.88 1a5u h LYS 3497N 0.36 -0.90 -0.92 4.80 1.57 -1.62 2.95 116.57 122.81 1a5u h LYS 3497Ca 0.09 0.06 0.09 0.00 -1.87 0.00 0.00 60.65 59.03 1a5u h LYS 3497Cb 0.06 0.20 -0.12 0.00 0.08 0.00 0.00 32.23 32.46 1a5u h LYS 3497CO -0.01 -0.60 -0.52 0.00 -0.57 0.00 0.00 179.45 177.75 1a5u n ALA 3498N -2.60 -0.52 1.67 3.86 0.00 -0.77 0.20 120.51 122.34 1a5u n ALA 3498Ca -0.12 0.80 0.08 0.00 0.00 0.00 0.00 53.44 54.20 1a5u n ALA 3498Cb 0.37 -0.17 0.46 0.00 0.00 0.00 0.00 19.45 20.11 1a5u n ALA 3498CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1a5u n ARG 3499N -5.18 0.83 -2.46 0.00 1.74 0.34 -4.88 116.66 107.06 1a5u n ARG 3499Ca 0.03 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.96 1a5u n ARG 3499Cb 0.26 -1.29 0.01 0.00 -1.02 0.00 0.00 32.46 30.41 1a5u n ARG 3499CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a5u n GLY 3500N 0.53 -0.18 0.18 -0.13 0.00 0.53 -4.90 105.19 101.21 1a5u n GLY 3500Ca 0.12 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 45.96 1a5u n GLY 3500CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1a5u h PHE 3501N -0.36 0.00 -2.59 1.61 0.04 0.50 -3.45 116.94 112.70 1a5u h PHE 3501Ca -0.35 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.50 1a5u h PHE 3501Cb 1.25 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.28 1a5u h PHE 3501CO 0.37 0.30 0.38 -0.59 -0.60 0.00 0.00 178.31 178.17 1a5u s PHE 3502N -3.18 -0.36 0.30 -0.55 -0.12 -1.00 -4.86 117.98 108.22 1a5u s PHE 3502Ca 0.04 0.14 0.09 0.00 -0.05 0.00 0.00 56.93 57.15 1a5u s PHE 3502Cb 0.07 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 43.00 1a5u s PHE 3502CO 0.70 -0.75 0.09 0.15 -0.05 0.00 0.00 175.22 175.35 1a5u s LYS 3503N -3.42 2.38 0.43 1.99 1.02 -1.26 -4.05 119.74 116.82 1a5u s LYS 3503Ca 0.05 -1.47 -0.25 0.00 0.02 0.00 0.00 55.97 54.33 1a5u s LYS 3503Cb -0.02 -2.19 -0.08 0.00 -0.52 0.00 0.00 37.83 35.02 1a5u s LYS 3503CO -0.07 0.23 1.30 0.15 -0.92 0.00 0.00 175.35 176.04 1a5u s LYS 3504N -3.77 3.84 0.00 1.68 1.02 -1.26 -2.62 119.74 118.62 1a5u s LYS 3504Ca 0.35 2.13 0.00 0.00 0.02 0.00 0.00 55.97 58.46 1a5u s LYS 3504Cb -0.04 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 1a5u s LYS 3504CO 0.22 -0.59 0.00 0.41 -0.92 0.00 0.00 175.35 174.47 1a5u n GLY 3505N 0.64 2.98 3.09 -3.33 0.00 0.47 -4.91 105.19 104.12 1a5u n GLY 3505Ca 0.05 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 1a5u n GLY 3505CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a5u n ASP 3506N 1.64 -3.66 -4.38 1.61 8.00 -1.08 -4.00 116.55 114.67 1a5u n ASP 3506Ca 0.00 0.06 -0.32 0.00 0.71 0.00 0.00 54.79 55.24 1a5u n ASP 3506Cb 0.00 -0.72 -0.15 0.00 -0.02 0.00 0.00 41.12 40.24 1a5u n ASP 3506CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1a5u s VAL 3507N -2.08 2.50 0.12 2.53 1.01 -1.26 0.13 120.40 123.35 1a5u s VAL 3507Ca 0.42 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1a5u s VAL 3507Cb -0.04 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1a5u s VAL 3507CO 0.71 0.58 -0.13 0.68 0.00 0.00 0.00 175.10 176.94 1a5u s VAL 3508N -0.67 1.25 -0.16 2.92 -7.23 0.37 0.11 120.40 116.99 1a5u s VAL 3508Ca 0.11 -1.74 -0.14 0.00 -1.81 0.00 0.00 61.98 58.40 1a5u s VAL 3508Cb -0.10 -1.53 -0.05 0.00 0.56 0.00 0.00 36.38 35.26 1a5u s VAL 3508CO -0.00 -0.47 0.32 -0.63 -0.31 0.00 0.00 175.10 174.01 1a5u s ILE 3509N -2.30 5.28 -0.18 -0.62 -1.09 -0.82 0.15 121.20 121.62 1a5u s ILE 3509Ca 0.09 0.61 0.01 0.00 -2.23 0.00 0.00 60.65 59.13 1a5u s ILE 3509Cb -0.04 -3.66 0.02 0.00 -1.58 0.00 0.00 42.46 37.20 1a5u s ILE 3509CO 0.02 0.37 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.22 1a5u s VAL 3510N 0.58 2.06 -0.23 2.92 1.01 0.20 0.10 120.40 127.04 1a5u s VAL 3510Ca 0.18 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 1a5u s VAL 3510Cb -0.13 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1a5u s VAL 3510CO 0.05 0.51 0.04 -0.76 0.00 0.00 0.00 175.10 174.93 1a5u s LEU 3511N 1.28 3.31 0.32 3.92 1.43 0.85 -0.80 118.68 128.99 1a5u s LEU 3511Ca 0.04 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1a5u s LEU 3511Cb -0.13 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1a5u s LEU 3511CO -0.13 -0.01 0.36 0.42 0.23 0.00 0.00 176.35 177.23 1a5u s THR 3512N 1.46 0.00 -0.14 5.49 -4.23 -0.96 -1.67 115.64 115.59 1a5u s THR 3512Ca 0.05 -1.78 -0.10 0.00 -1.18 0.00 0.00 61.69 58.68 1a5u s THR 3512Cb -0.15 -2.55 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 1a5u s THR 3512CO 0.02 0.00 0.19 -0.83 -0.54 0.00 0.00 174.62 173.46 1a5u s GLY 3513N -3.27 2.16 0.11 3.99 0.00 -1.26 -0.97 107.32 108.08 1a5u s GLY 3513Ca 0.35 -0.58 -0.24 0.00 0.00 0.00 0.00 44.72 44.25 1a5u s GLY 3513CO 0.22 -0.03 1.69 -0.25 0.00 0.00 0.00 173.10 174.73 1a5u h TRP 3514N 5.77 -0.28 -1.91 1.90 -0.00 -1.90 -3.45 115.95 116.08 1a5u h TRP 3514Ca -0.48 0.01 -0.60 0.00 -0.00 0.00 0.00 58.89 57.82 1a5u h TRP 3514Cb 1.19 0.12 -0.13 0.00 -0.00 0.00 0.00 29.16 30.34 1a5u h TRP 3514CO 0.67 -0.17 -0.62 1.03 -0.00 0.00 0.00 178.44 179.36 1a5u s ARG 3515N -6.16 1.88 0.59 2.65 0.52 -1.26 -4.99 118.95 112.19 1a5u s ARG 3515Ca -0.14 -2.04 0.29 0.00 -0.52 0.00 0.00 55.73 53.31 1a5u s ARG 3515Cb 0.08 -1.52 1.42 0.00 0.52 0.00 0.00 34.95 35.45 1a5u s ARG 3515CO 0.66 -0.04 1.83 -1.35 0.02 0.00 0.00 175.30 176.43 1a5u h PRO 3516N 1.88 0.00 -0.20 3.54 0.11 -1.97 -1.74 132.00 133.63 1a5u h PRO 3516Ca -0.43 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.52 1a5u h PRO 3516Cb 1.24 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.20 1a5u h PRO 3516CO 0.77 0.00 -0.64 0.41 -0.21 0.00 0.00 178.00 178.33 1a5u n GLY 3517N -1.54 5.03 0.36 -0.55 0.00 -1.26 -4.83 105.19 102.40 1a5u n GLY 3517Ca 0.11 -1.60 0.18 0.00 0.00 0.00 0.00 46.02 44.71 1a5u n GLY 3517CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a5u h SER 3518N 1.34 0.00 0.00 1.61 0.02 -1.69 -3.45 113.55 111.38 1a5u h SER 3518Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1a5u h SER 3518Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1a5u h SER 3518CO 0.20 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.50 1a5u n GLY 3519N -1.37 2.77 3.53 -3.77 0.00 -1.26 -4.87 105.19 100.22 1a5u n GLY 3519Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 1a5u n GLY 3519CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a5u s PHE 3520N -0.56 -0.33 -0.55 1.61 -0.71 -1.26 -5.04 117.98 111.13 1a5u s PHE 3520Ca 0.00 0.17 -0.27 0.00 -1.04 0.00 0.00 56.93 55.78 1a5u s PHE 3520Cb 0.00 0.56 -0.00 0.00 -1.21 0.00 0.00 43.02 42.36 1a5u s PHE 3520CO 0.00 -0.62 1.62 0.95 -1.34 0.00 0.00 175.22 175.83 1a5u s THR 3521N -3.20 3.59 -1.68 -4.49 -4.23 -1.26 -4.35 115.64 100.02 1a5u s THR 3521Ca 0.06 0.47 0.19 0.00 -1.18 0.00 0.00 61.69 61.22 1a5u s THR 3521Cb -0.01 -4.17 -0.02 0.00 1.34 0.00 0.00 72.50 69.64 1a5u s THR 3521CO -0.08 -1.00 0.95 -0.46 -0.54 0.00 0.00 174.62 173.49 1a5u n ASN 3522N 10.75 1.75 -4.43 3.99 6.94 -0.14 -4.79 115.26 129.34 1a5u n ASN 3522Ca 0.16 -1.38 -0.32 0.00 -0.02 0.00 0.00 54.58 53.02 1a5u n ASN 3522Cb 0.50 0.51 -0.14 0.00 -2.36 0.00 0.00 39.78 38.29 1a5u n ASN 3522CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1a5u s THR 3523N -2.20 2.85 -0.03 5.53 2.01 -0.74 -4.89 115.64 118.17 1a5u s THR 3523Ca 0.15 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.37 1a5u s THR 3523Cb 0.15 -2.11 0.02 0.00 0.01 0.00 0.00 72.50 70.57 1a5u s THR 3523CO 0.50 0.58 -0.03 -0.32 -0.69 0.00 0.00 174.62 174.66 1a5u s MET 3524N -0.54 0.58 0.00 4.92 1.75 -1.26 -2.27 119.30 122.48 1a5u s MET 3524Ca 0.07 -0.06 0.03 0.00 -1.25 0.00 0.00 55.69 54.49 1a5u s MET 3524Cb -0.11 -0.64 -0.01 0.00 2.84 0.00 0.00 34.83 36.91 1a5u s MET 3524CO 0.01 -0.06 -0.10 1.03 -0.65 0.00 0.00 175.02 175.25 1a5u s ARG 3525N 0.76 0.77 -0.41 4.11 0.52 0.02 -4.96 118.95 119.75 1a5u s ARG 3525Ca -0.09 -0.42 -0.19 0.00 -0.52 0.00 0.00 55.73 54.50 1a5u s ARG 3525Cb -0.12 -0.73 0.02 0.00 0.52 0.00 0.00 34.95 34.63 1a5u s ARG 3525CO -0.00 0.20 0.56 0.54 0.02 0.00 0.00 175.30 176.61 1a5u s VAL 3526N -0.39 4.94 -0.01 3.52 0.11 -1.26 0.63 120.40 127.93 1a5u s VAL 3526Ca 0.02 0.07 0.04 0.00 -2.93 0.00 0.00 61.98 59.18 1a5u s VAL 3526Cb -0.05 -4.10 -0.01 0.00 -1.53 0.00 0.00 36.38 30.69 1a5u s VAL 3526CO -0.00 -0.45 -0.13 0.68 -3.33 0.00 0.00 175.10 171.87 1a5u s VAL 3527N 2.54 1.02 0.25 2.04 -7.23 0.12 -4.96 120.40 114.20 1a5u s VAL 3527Ca 0.19 -0.55 -0.30 0.00 -1.81 0.00 0.00 61.98 59.52 1a5u s VAL 3527Cb -0.15 -0.86 -0.09 0.00 0.56 0.00 0.00 36.38 35.84 1a5u s VAL 3527CO 0.16 0.29 0.96 -2.16 -0.31 0.00 0.00 175.10 174.05 1a5u s PRO 3528N -0.24 4.80 0.23 4.82 0.04 -1.25 0.14 135.00 143.53 1a5u s PRO 3528Ca 0.04 1.52 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 1a5u s PRO 3528Cb -0.06 -3.22 -0.09 0.00 0.04 0.00 0.00 34.50 31.17 1a5u s PRO 3528CO -0.00 0.45 1.34 0.08 0.04 0.00 0.00 177.00 178.91 1a5u s VAL 3529N -1.22 3.00 -2.45 -0.36 1.01 0.34 -4.82 120.40 115.90 1a5u s VAL 3529Ca 0.42 0.85 0.28 0.00 0.00 0.00 0.00 61.98 63.54 1a5u s VAL 3529Cb -0.26 -3.54 0.59 0.00 0.00 0.00 0.00 36.38 33.16 1a5u s VAL 3529CO 0.32 0.14 1.79 -0.81 0.00 0.00 0.00 175.10 176.55