#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pj4 s GLU 3023N 0.00 0.46 0.51 1.64 2.56 -1.26 -5.16 118.70 117.45 1pj4 s GLU 3023Ca 0.00 -0.57 0.04 0.00 0.00 0.00 0.00 54.97 54.44 1pj4 s GLU 3023Cb 0.00 -0.26 0.00 0.00 2.00 0.00 0.00 34.13 35.87 1pj4 s GLU 3023CO 0.00 0.05 0.22 -1.59 -0.56 0.00 0.00 175.26 173.38 1pj4 s LYS 3024N -1.15 2.23 1.46 4.30 -2.85 -1.26 -4.68 119.74 117.78 1pj4 s LYS 3024Ca -0.07 -2.13 0.00 0.00 -1.00 0.00 0.00 55.97 52.76 1pj4 s LYS 3024Cb -0.08 -1.87 0.00 0.00 -2.06 0.00 0.00 37.83 33.82 1pj4 s LYS 3024CO 0.00 -0.44 0.00 0.41 0.10 0.00 0.00 175.35 175.42 1pj4 n GLY 3025N -1.49 -1.83 0.33 0.59 0.00 -0.20 -4.27 105.19 98.32 1pj4 n GLY 3025Ca -0.08 -1.38 0.21 0.00 0.00 0.00 0.00 46.02 44.78 1pj4 n GLY 3025CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pj4 n LYS 3026N 0.00 -0.07 -0.21 1.61 3.00 -1.26 -0.77 118.16 120.46 1pj4 n LYS 3026Ca 0.00 1.41 0.30 0.00 -0.00 0.00 0.00 58.31 60.02 1pj4 n LYS 3026Cb 0.00 -2.36 0.73 0.00 0.00 0.00 0.00 35.03 33.40 1pj4 n LYS 3026CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1pj4 h PRO 3027N 0.00 0.00 -1.29 1.64 0.11 -1.95 -2.32 132.00 128.19 1pj4 h PRO 3027Ca 0.69 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.80 1pj4 h PRO 3027Cb 1.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.72 1pj4 h PRO 3027CO -0.85 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.22 1pj4 n LEU 3028N -4.23 1.10 0.00 2.35 4.77 0.05 -2.20 117.00 118.83 1pj4 n LEU 3028Ca 0.20 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1pj4 n LEU 3028Cb 1.03 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 1pj4 n LEU 3028CO 0.39 0.19 0.00 0.18 -1.33 0.00 0.00 177.39 176.82 1pj4 n LEU 3030N 0.66 0.00 -4.51 2.23 4.77 -0.88 -2.02 117.00 117.26 1pj4 n LEU 3030Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 1pj4 n LEU 3030Cb 0.19 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.21 1pj4 n LEU 3030CO 0.00 0.00 0.27 0.21 -1.33 0.00 0.00 177.39 176.54 1pj4 s ASN 3031N 0.00 6.28 0.63 -1.43 3.84 -0.93 -4.93 114.94 118.40 1pj4 s ASN 3031Ca 0.00 -0.45 0.35 0.00 0.21 0.00 0.00 52.86 52.97 1pj4 s ASN 3031Cb 0.00 -2.28 1.94 0.00 -0.55 0.00 0.00 41.25 40.36 1pj4 s ASN 3031CO 0.00 -0.69 2.17 1.55 -2.79 0.00 0.00 177.10 177.34 1pj4 h PRO 3032N 8.80 0.00 -0.47 0.43 0.13 -1.79 0.86 132.00 139.96 1pj4 h PRO 3032Ca -0.26 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.77 1pj4 h PRO 3032Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1pj4 h PRO 3032CO 0.85 0.00 -0.11 -0.09 -0.23 0.00 0.00 178.00 178.42 1pj4 h ARG 3033N 0.00 0.85 0.00 0.86 9.65 -1.90 -0.21 114.38 123.63 1pj4 h ARG 3033Ca 0.03 -0.29 -0.20 0.00 -1.10 0.00 0.00 59.98 58.42 1pj4 h ARG 3033Cb 0.31 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.79 1pj4 h ARG 3033CO -0.00 0.92 -2.03 0.25 2.80 0.00 0.00 179.97 181.91 1pj4 n THR 3034N -4.15 0.73 -1.68 0.20 -2.24 -0.52 -4.77 114.28 101.86 1pj4 n THR 3034Ca 0.01 -0.60 -0.47 0.00 -2.27 0.00 0.00 64.05 60.72 1pj4 n THR 3034Cb 0.38 -0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 68.24 1pj4 n THR 3034CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pj4 n ASN 3035N -2.44 3.34 -0.35 3.42 5.15 0.18 -4.88 115.26 119.67 1pj4 n ASN 3035Ca -0.19 1.02 0.05 0.00 -0.60 0.00 0.00 54.58 54.86 1pj4 n ASN 3035Cb 0.84 -1.41 0.04 0.00 -0.53 0.00 0.00 39.78 38.71 1pj4 n ASN 3035CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1pj4 n LYS 3036N 5.13 0.43 0.00 1.20 5.02 -1.26 -4.63 118.16 124.05 1pj4 n LYS 3036Ca 0.20 -1.01 0.00 0.00 -2.02 0.00 0.00 58.31 55.48 1pj4 n LYS 3036Cb 0.30 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1pj4 n LYS 3036CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pj4 n GLY 3037N 0.54 0.09 4.63 0.72 0.00 -1.26 -4.11 105.19 105.80 1pj4 n GLY 3037Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1pj4 n GLY 3037CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj4 n ALA 3039N 0.00 0.00 -1.78 4.61 0.00 -1.26 -4.97 120.51 117.11 1pj4 n ALA 3039Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1pj4 n ALA 3039Cb 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 1pj4 n ALA 3039CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1pj4 s PHE 3040N -0.74 2.51 0.94 0.00 0.40 -1.26 -4.80 117.98 115.02 1pj4 s PHE 3040Ca 0.00 0.21 -0.12 0.00 -0.60 0.00 0.00 56.93 56.42 1pj4 s PHE 3040Cb 0.00 -4.10 0.16 0.00 0.51 0.00 0.00 43.02 39.58 1pj4 s PHE 3040CO 0.00 -4.39 1.09 0.95 0.70 0.00 0.00 175.22 173.58 1pj4 s THR 3041N 2.11 2.38 0.20 0.64 -4.23 -1.26 -4.79 115.64 110.69 1pj4 s THR 3041Ca 0.77 0.12 -0.11 0.00 -1.18 0.00 0.00 61.69 61.29 1pj4 s THR 3041Cb -0.46 -2.63 0.13 0.00 1.34 0.00 0.00 72.50 70.89 1pj4 s THR 3041CO 0.34 -0.16 1.86 0.25 -0.54 0.00 0.00 174.62 176.37 1pj4 h LEU 3042N -1.70 0.77 -0.74 4.79 5.85 -1.98 -1.41 115.31 120.90 1pj4 h LEU 3042Ca -0.52 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.09 1pj4 h LEU 3042Cb 1.31 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1pj4 h LEU 3042CO 0.56 0.55 -0.08 -0.61 -0.34 0.00 0.00 178.44 178.52 1pj4 h GLN 3043N 0.91 0.89 -0.43 1.25 4.15 -1.99 -1.57 115.11 118.31 1pj4 h GLN 3043Ca 0.26 -0.29 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1pj4 h GLN 3043Cb -0.07 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 1pj4 h GLN 3043CO -0.07 0.93 0.20 0.93 -1.93 0.00 0.00 178.83 178.90 1pj4 h GLU 3044N 0.80 0.62 -0.53 1.69 5.08 -1.83 -3.04 114.58 117.37 1pj4 h GLU 3044Ca 0.14 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1pj4 h GLU 3044Cb 0.59 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1pj4 h GLU 3044CO 0.04 0.53 0.35 0.00 -1.00 0.00 0.00 179.01 178.93 1pj4 h ARG 3045N 0.55 0.70 -0.84 2.33 3.08 -0.94 0.63 114.38 119.90 1pj4 h ARG 3045Ca 0.15 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1pj4 h ARG 3045Cb 0.12 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1pj4 h ARG 3045CO -0.02 0.46 0.00 1.04 -1.07 0.00 0.00 179.97 180.39 1pj4 n GLN 3046N -4.72 0.53 0.00 0.04 6.02 -0.62 0.47 117.38 119.11 1pj4 n GLN 3046Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1pj4 n GLN 3046Cb 0.02 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.02 1pj4 n GLN 3046CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1pj4 n LEU 3048N 0.40 0.00 -1.94 1.08 4.77 0.21 -4.74 117.00 116.79 1pj4 n LEU 3048Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1pj4 n LEU 3048Cb 0.17 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1pj4 n LEU 3048CO 0.00 0.00 0.05 0.61 -1.33 0.00 0.00 177.39 176.72 1pj4 n GLY 3049N 0.00 0.07 0.09 -0.72 0.00 -0.93 -1.03 105.19 102.66 1pj4 n GLY 3049Ca 0.00 -0.23 0.04 0.00 0.00 0.00 0.00 46.02 45.82 1pj4 n GLY 3049CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj4 n LEU 3050N -2.59 0.72 -4.69 0.99 4.77 0.18 -4.37 117.00 112.01 1pj4 n LEU 3050Ca -0.04 -0.63 -0.42 0.00 -0.03 0.00 0.00 56.01 54.89 1pj4 n LEU 3050Cb 0.55 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.61 1pj4 n LEU 3050CO 0.30 0.16 1.46 -1.58 -1.33 0.00 0.00 177.39 176.40 1pj4 s GLN 3051N -1.47 4.14 0.00 3.23 2.00 -0.98 -1.55 119.66 125.02 1pj4 s GLN 3051Ca 0.05 2.58 0.00 0.00 -2.00 0.00 0.00 55.36 55.99 1pj4 s GLN 3051Cb 0.06 -3.58 0.00 0.00 0.80 0.00 0.00 33.01 30.30 1pj4 s GLN 3051CO 0.27 -0.83 0.00 0.41 -0.50 0.00 0.00 175.29 174.63 1pj4 n GLY 3052N 4.21 3.23 0.09 2.59 0.00 -1.26 -4.85 105.19 109.20 1pj4 n GLY 3052Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1pj4 n GLY 3052CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj4 n LEU 3053N 0.00 0.59 -4.26 0.99 4.77 -0.60 -4.85 117.00 113.63 1pj4 n LEU 3053Ca 0.00 -0.02 -0.20 0.00 -0.03 0.00 0.00 56.01 55.76 1pj4 n LEU 3053Cb 0.00 -0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 40.75 1pj4 n LEU 3053CO 0.00 0.12 -0.47 -0.76 -1.33 0.00 0.00 177.39 174.95 1pj4 s LEU 3054N -2.75 2.38 0.75 2.23 1.43 -1.24 -5.13 118.68 116.35 1pj4 s LEU 3054Ca 0.19 -0.78 -0.15 0.00 -1.03 0.00 0.00 54.13 52.36 1pj4 s LEU 3054Cb 0.19 -0.66 0.05 0.00 0.03 0.00 0.00 46.19 45.79 1pj4 s LEU 3054CO 0.58 -0.08 1.25 -2.84 0.23 0.00 0.00 176.35 175.49 1pj4 s PRO 3055N -2.47 1.97 0.42 1.29 0.02 -1.26 -4.88 135.00 130.09 1pj4 s PRO 3055Ca 0.09 1.90 0.16 0.00 0.02 0.00 0.00 61.00 63.16 1pj4 s PRO 3055Cb -0.06 -1.80 1.04 0.00 0.02 0.00 0.00 34.50 33.70 1pj4 s PRO 3055CO 0.04 -2.00 1.91 -1.35 -0.33 0.00 0.00 177.00 175.27 1pj4 h PRO 3056N -0.34 0.42 -6.53 5.54 0.11 -2.00 -3.44 132.00 125.77 1pj4 h PRO 3056Ca -0.48 -0.03 -0.58 0.00 0.11 0.00 0.00 66.00 65.02 1pj4 h PRO 3056Cb 1.31 -0.09 0.06 0.00 0.11 0.00 0.00 31.00 32.39 1pj4 h PRO 3056CO 0.49 0.28 0.75 1.17 -0.21 0.00 0.00 178.00 180.47 1pj4 n LYS 3057N -4.49 2.12 -3.67 1.05 3.00 -1.26 -4.99 118.16 109.93 1pj4 n LYS 3057Ca 0.15 0.76 -0.38 0.00 -0.00 0.00 0.00 58.31 58.85 1pj4 n LYS 3057Cb 0.55 -2.50 -0.12 0.00 0.00 0.00 0.00 35.03 32.96 1pj4 n LYS 3057CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1pj4 s ILE 3058N 0.66 4.77 0.36 3.15 -1.09 -1.26 -4.85 121.20 122.93 1pj4 s ILE 3058Ca 0.76 -0.10 0.08 0.00 -2.23 0.00 0.00 60.65 59.16 1pj4 s ILE 3058Cb -0.67 -3.30 -0.03 0.00 -1.58 0.00 0.00 42.46 36.88 1pj4 s ILE 3058CO 0.41 0.24 0.29 -1.61 -1.23 0.00 0.00 174.94 173.04 1pj4 s GLU 3059N 1.67 2.61 0.28 2.79 2.02 -1.26 -4.98 118.70 121.83 1pj4 s GLU 3059Ca 0.06 -1.41 0.08 0.00 0.02 0.00 0.00 54.97 53.72 1pj4 s GLU 3059Cb -0.16 -2.40 -0.04 0.00 0.10 0.00 0.00 34.13 31.64 1pj4 s GLU 3059CO 0.07 0.01 0.14 0.95 0.02 0.00 0.00 175.26 176.45 1pj4 s THR 3060N -2.38 3.85 0.49 3.63 -4.23 -1.26 -3.99 115.64 111.75 1pj4 s THR 3060Ca 0.42 -1.59 0.16 0.00 -1.18 0.00 0.00 61.69 59.50 1pj4 s THR 3060Cb -0.04 -3.15 0.23 0.00 1.34 0.00 0.00 72.50 70.88 1pj4 s THR 3060CO 0.26 -0.32 2.08 -0.61 -0.54 0.00 0.00 174.62 175.50 1pj4 h GLN 3061N 1.59 0.00 -0.65 3.99 4.15 -1.97 -2.29 115.11 119.94 1pj4 h GLN 3061Ca -0.46 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 58.94 1pj4 h GLN 3061Cb 1.25 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.91 1pj4 h GLN 3061CO 0.61 0.09 0.32 -0.44 -1.93 0.00 0.00 178.83 177.47 1pj4 h ASP 3062N 0.00 0.84 -0.30 -0.69 3.45 -1.99 0.11 116.42 117.84 1pj4 h ASP 3062Ca -0.00 -0.13 -0.10 0.00 0.43 0.00 0.00 57.03 57.23 1pj4 h ASP 3062Cb 0.16 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.70 1pj4 h ASP 3062CO 0.01 0.73 -0.15 0.40 -1.57 0.00 0.00 179.24 178.65 1pj4 h ILE 3063N 0.89 1.26 -0.50 0.35 2.04 -1.82 -1.74 117.51 118.00 1pj4 h ILE 3063Ca 0.22 -1.22 -0.10 0.00 1.00 0.00 0.00 64.86 64.76 1pj4 h ILE 3063Cb 0.11 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1pj4 h ILE 3063CO -0.03 0.41 -0.09 1.56 0.00 0.00 0.00 178.15 180.00 1pj4 h GLN 3064N 0.67 0.90 -0.50 2.37 4.20 -1.13 -1.40 115.11 120.23 1pj4 h GLN 3064Ca 0.11 -0.31 -0.07 0.00 0.06 0.00 0.00 58.65 58.44 1pj4 h GLN 3064Cb 0.63 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1pj4 h GLN 3064CO 0.04 0.96 0.05 0.00 -0.67 0.00 0.00 178.83 179.21 1pj4 h ALA 3065N 1.07 0.67 -0.87 3.87 0.00 -0.78 -2.34 119.26 120.89 1pj4 h ALA 3065Ca 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1pj4 h ALA 3065Cb 0.62 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1pj4 h ALA 3065CO 0.04 0.43 0.48 1.25 0.00 0.00 0.00 179.25 181.44 1pj4 h LEU 3066N 0.72 1.08 -0.79 0.00 5.85 -1.01 -1.38 115.31 119.77 1pj4 h LEU 3066Ca 0.15 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1pj4 h LEU 3066Cb 0.44 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1pj4 h LEU 3066CO 0.01 0.87 0.39 -0.09 -0.34 0.00 0.00 178.44 179.28 1pj4 h ARG 3067N 1.22 1.14 0.37 1.25 2.43 -1.02 -1.56 114.38 118.21 1pj4 h ARG 3067Ca 0.31 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1pj4 h ARG 3067Cb 0.02 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1pj4 h ARG 3067CO -0.05 0.88 -0.18 0.35 -1.51 0.00 0.00 179.97 179.46 1pj4 h PHE 3068N 1.12 -0.46 -0.10 2.20 3.57 -0.83 -2.32 116.94 120.12 1pj4 h PHE 3068Ca 0.27 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1pj4 h PHE 3068Cb 0.11 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1pj4 h PHE 3068CO 0.01 -0.20 0.03 0.45 -2.23 0.00 0.00 178.31 176.37 1pj4 h HIS 3069N -0.65 0.12 -0.32 0.41 3.86 -1.23 0.13 115.15 117.47 1pj4 h HIS 3069Ca -0.05 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.10 1pj4 h HIS 3069Cb 0.47 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 1pj4 h HIS 3069CO -0.01 0.11 -0.02 -0.09 0.86 0.00 0.00 177.93 178.78 1pj4 h ARG 3070N 0.13 0.58 -0.26 2.45 9.65 -1.16 -2.08 114.38 123.70 1pj4 h ARG 3070Ca 0.03 -0.20 -0.18 0.00 -1.10 0.00 0.00 59.98 58.54 1pj4 h ARG 3070Cb 0.05 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1pj4 h ARG 3070CO -0.00 0.73 -0.55 -0.91 2.80 0.00 0.00 179.97 182.04 1pj4 h ASN 3071N 0.38 0.86 -0.70 -3.80 2.35 -0.79 -3.13 115.58 110.74 1pj4 h ASN 3071Ca 0.09 -0.46 -0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1pj4 h ASN 3071Cb 0.48 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 1pj4 h ASN 3071CO 0.02 1.24 0.44 0.25 -1.65 0.00 0.00 177.43 177.73 1pj4 h LEU 3072N 0.59 0.83 -1.26 1.61 5.85 -0.69 -2.56 115.31 119.68 1pj4 h LEU 3072Ca 0.01 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1pj4 h LEU 3072Cb 1.14 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1pj4 h LEU 3072CO 0.12 0.63 0.51 0.50 -0.34 0.00 0.00 178.44 179.85 1pj4 h LYS 3073N 0.97 0.96 -3.33 1.25 1.63 -1.32 -3.44 116.57 113.28 1pj4 h LYS 3073Ca 0.26 -0.06 -0.59 0.00 -0.85 0.00 0.00 60.65 59.41 1pj4 h LYS 3073Cb -0.06 -0.22 0.02 0.00 -0.60 0.00 0.00 32.23 31.37 1pj4 h LYS 3073CO -0.05 0.63 3.34 1.63 -3.45 0.00 0.00 179.45 181.55 1pj4 n LYS 3074N -4.44 3.02 0.10 1.90 5.02 -0.97 -5.14 118.16 117.66 1pj4 n LYS 3074Ca 0.09 -2.02 0.00 0.00 -2.02 0.00 0.00 58.31 54.36 1pj4 n LYS 3074Cb 0.08 -2.77 0.00 0.00 -0.02 0.00 0.00 35.03 32.32 1pj4 n LYS 3074CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1pj4 n THR 3076N 4.08 0.00 -3.00 -0.18 -2.24 -1.26 -5.15 114.28 106.53 1pj4 n THR 3076Ca 0.64 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 62.08 1pj4 n THR 3076Cb 0.23 -0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.15 1pj4 n THR 3076CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1pj4 s SER 3077N -4.14 6.96 0.24 3.42 1.04 -1.26 -4.99 113.70 114.96 1pj4 s SER 3077Ca 0.00 1.49 -0.07 0.00 0.48 0.00 0.00 55.95 57.85 1pj4 s SER 3077Cb 0.00 -2.45 0.23 0.00 0.10 0.00 0.00 66.02 63.89 1pj4 s SER 3077CO 0.00 -0.17 1.89 -0.65 0.98 0.00 0.00 173.24 175.29 1pj4 h PRO 3078N 2.56 1.26 -0.40 4.02 0.11 -1.99 -2.36 132.00 135.20 1pj4 h PRO 3078Ca -0.48 -0.11 -0.05 0.00 0.11 0.00 0.00 66.00 65.47 1pj4 h PRO 3078Cb 1.18 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 1pj4 h PRO 3078CO 0.64 0.87 0.04 1.25 -0.21 0.00 0.00 178.00 180.59 1pj4 h LEU 3079N 1.29 0.59 -0.59 2.35 5.85 -1.94 0.88 115.31 123.73 1pj4 h LEU 3079Ca 0.34 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 1pj4 h LEU 3079Cb -0.08 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1pj4 h LEU 3079CO -0.07 0.63 0.12 -0.08 -0.34 0.00 0.00 178.44 178.71 1pj4 h GLU 3080N 0.60 0.96 -0.48 1.25 4.81 -1.86 -1.98 114.58 117.88 1pj4 h GLU 3080Ca 0.13 -0.24 -0.13 0.00 -0.13 0.00 0.00 59.36 58.99 1pj4 h GLU 3080Cb 0.32 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1pj4 h GLU 3080CO 0.01 0.90 -0.19 0.87 -0.73 0.00 0.00 179.01 179.87 1pj4 h LYS 3081N 0.87 0.97 -0.26 1.92 1.57 -0.90 -2.46 116.57 118.29 1pj4 h LYS 3081Ca 0.18 -0.41 0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1pj4 h LYS 3081Cb 0.38 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1pj4 h LYS 3081CO 0.01 1.08 0.11 -0.92 -0.57 0.00 0.00 179.45 179.16 1pj4 h TYR 3082N 0.83 0.21 -0.60 -1.35 3.20 -0.67 -0.86 116.97 117.72 1pj4 h TYR 3082Ca 0.11 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1pj4 h TYR 3082Cb 0.76 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.94 1pj4 h TYR 3082CO 0.05 0.11 0.37 0.82 -1.64 0.00 0.00 178.16 177.88 1pj4 h ILE 3083N 0.25 1.08 0.48 1.81 2.04 -1.28 -3.12 117.51 118.78 1pj4 h ILE 3083Ca 0.11 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1pj4 h ILE 3083Cb 0.05 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1pj4 h ILE 3083CO -0.09 0.13 -0.23 0.22 0.00 0.00 0.00 178.15 178.19 1pj4 h TYR 3084N 0.73 -0.60 0.00 1.37 3.20 -1.16 -1.69 116.97 118.82 1pj4 h TYR 3084Ca 0.24 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1pj4 h TYR 3084Cb 0.00 0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1pj4 h TYR 3084CO -0.05 -0.31 0.00 0.44 -1.64 0.00 0.00 178.16 176.60 1pj4 n ILE 3085N -5.31 0.93 0.00 1.81 -5.35 -0.35 -2.36 119.36 108.73 1pj4 n ILE 3085Ca -0.11 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1pj4 n ILE 3085Cb 0.30 -1.09 0.00 0.00 -1.74 0.00 0.00 39.64 37.11 1pj4 n ILE 3085CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pj4 n GLY 3087N 1.31 0.00 0.24 3.28 0.00 -0.64 -3.09 105.19 106.30 1pj4 n GLY 3087Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1pj4 n GLY 3087CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pj4 h ILE 3088N 0.00 0.94 0.00 -0.61 2.04 -1.73 -1.25 117.51 116.90 1pj4 h ILE 3088Ca 0.00 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 1pj4 h ILE 3088Cb 0.00 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1pj4 h ILE 3088CO 0.00 0.13 -0.19 -0.61 0.00 0.00 0.00 178.15 177.48 1pj4 h GLN 3089N 0.00 0.00 -0.18 2.37 4.15 -1.80 0.14 115.11 119.79 1pj4 h GLN 3089Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1pj4 h GLN 3089Cb 0.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1pj4 h GLN 3089CO 0.02 0.19 0.00 0.39 -1.93 0.00 0.00 178.83 177.50 1pj4 n GLU 3090N -3.76 1.98 -0.01 1.69 -0.58 -0.49 -4.21 120.64 115.26 1pj4 n GLU 3090Ca -0.02 -1.46 -0.03 0.00 -0.42 0.00 0.00 57.16 55.24 1pj4 n GLU 3090Cb 0.30 -1.45 -0.01 0.00 -0.57 0.00 0.00 31.44 29.71 1pj4 n GLU 3090CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1pj4 n ARG 3091N 0.70 0.06 -3.38 3.49 1.74 -0.58 -4.51 116.66 114.19 1pj4 n ARG 3091Ca 0.17 0.02 -0.18 0.00 -0.77 0.00 0.00 57.85 57.09 1pj4 n ARG 3091Cb 0.43 -0.66 -0.09 0.00 -1.02 0.00 0.00 32.46 31.13 1pj4 n ARG 3091CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1pj4 s ASN 3092N -5.09 1.44 0.17 0.55 3.84 0.39 -4.22 114.94 112.02 1pj4 s ASN 3092Ca -0.04 -1.43 -0.14 0.00 0.21 0.00 0.00 52.86 51.47 1pj4 s ASN 3092Cb 0.01 0.47 0.14 0.00 -0.55 0.00 0.00 41.25 41.32 1pj4 s ASN 3092CO 0.05 -0.30 1.73 -0.08 -2.79 0.00 0.00 177.10 175.71 1pj4 h GLU 3093N 7.36 0.23 -0.30 0.43 4.81 -1.19 -1.10 114.58 124.82 1pj4 h GLU 3093Ca 0.00 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1pj4 h GLU 3093Cb 1.05 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.33 1pj4 h GLU 3093CO 0.24 0.15 -0.01 0.87 -0.73 0.00 0.00 179.01 179.53 1pj4 h LYS 3094N 0.24 0.07 -0.61 1.92 1.79 -1.86 -1.87 116.57 116.26 1pj4 h LYS 3094Ca 0.21 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.64 1pj4 h LYS 3094Cb 0.26 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 1pj4 h LYS 3094CO -0.27 0.05 0.23 1.25 -1.08 0.00 0.00 179.45 179.63 1pj4 h LEU 3095N 0.08 0.82 -0.02 2.94 5.85 -1.72 -1.84 115.31 121.41 1pj4 h LEU 3095Ca 0.15 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1pj4 h LEU 3095Cb 0.20 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1pj4 h LEU 3095CO -0.25 0.74 -0.17 0.15 -0.34 0.00 0.00 178.44 178.57 1pj4 h PHE 3096N 0.87 -0.44 -0.10 1.25 3.57 -0.42 0.35 116.94 122.02 1pj4 h PHE 3096Ca 0.20 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.61 1pj4 h PHE 3096Cb 0.19 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1pj4 h PHE 3096CO 0.01 -0.25 -0.43 1.88 -2.23 0.00 0.00 178.31 177.30 1pj4 h TYR 3097N -0.27 0.27 -0.78 0.41 -1.99 -1.24 -2.03 116.97 111.34 1pj4 h TYR 3097Ca 0.06 -0.08 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 1pj4 h TYR 3097Cb 0.35 -0.06 -0.04 0.00 2.00 0.00 0.00 36.73 38.98 1pj4 h TYR 3097CO -0.23 0.63 0.42 -0.09 -0.00 0.00 0.00 178.16 178.88 1pj4 h ARG 3098N 0.19 1.09 -0.51 4.88 9.65 -0.87 0.40 114.38 129.20 1pj4 h ARG 3098Ca 0.02 -0.13 -0.00 0.00 -1.10 0.00 0.00 59.98 58.76 1pj4 h ARG 3098Cb 0.84 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 29.19 1pj4 h ARG 3098CO 0.07 0.81 0.31 0.82 2.80 0.00 0.00 179.97 184.77 1pj4 h ILE 3099N 1.08 1.16 -0.10 1.20 5.03 -0.44 -0.10 117.51 125.33 1pj4 h ILE 3099Ca 0.27 -0.37 -0.01 0.00 -0.12 0.00 0.00 64.86 64.63 1pj4 h ILE 3099Cb 0.05 0.48 -0.00 0.00 -3.03 0.00 0.00 36.82 34.31 1pj4 h ILE 3099CO -0.04 0.16 0.01 -0.07 -0.68 0.00 0.00 178.15 177.53 1pj4 h LEU 3100N 0.69 0.17 -1.86 1.44 -0.00 -1.10 -3.02 115.31 111.62 1pj4 h LEU 3100Ca 0.18 -0.28 0.12 0.00 -0.00 0.00 0.00 57.88 57.90 1pj4 h LEU 3100Cb -0.00 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 40.59 1pj4 h LEU 3100CO -0.03 0.41 0.35 -0.61 -0.00 0.00 0.00 178.44 178.55 1pj4 h GLN 3101N -0.08 0.15 -0.76 1.13 4.15 -0.61 0.30 115.11 119.39 1pj4 h GLN 3101Ca 0.03 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1pj4 h GLN 3101Cb 0.31 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 1pj4 h GLN 3101CO 0.00 0.10 0.43 -0.44 -1.93 0.00 0.00 178.83 176.99 1pj4 h ASP 3102N 0.15 0.93 -0.44 -0.69 3.32 -0.88 -3.38 116.42 115.43 1pj4 h ASP 3102Ca 0.24 -0.07 -0.20 0.00 0.02 0.00 0.00 57.03 57.02 1pj4 h ASP 3102Cb 0.75 -0.24 -0.16 0.00 0.22 0.00 0.00 39.33 39.90 1pj4 h ASP 3102CO -0.03 0.74 -0.51 -0.67 -1.72 0.00 0.00 179.24 177.05 1pj4 n ASP 3103N -4.36 -3.03 -0.04 6.45 -0.08 -0.76 -5.01 116.55 109.72 1pj4 n ASP 3103Ca 0.08 -3.14 0.11 0.00 -1.51 0.00 0.00 54.79 50.33 1pj4 n ASP 3103Cb 0.09 1.73 0.52 0.00 2.34 0.00 0.00 41.12 45.81 1pj4 n ASP 3103CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1pj4 h ILE 3104N 3.75 0.91 -0.59 5.18 6.09 -1.16 -2.72 117.51 128.98 1pj4 h ILE 3104Ca -0.06 -0.12 -0.10 0.00 -1.37 0.00 0.00 64.86 63.21 1pj4 h ILE 3104Cb 1.06 0.53 -0.02 0.00 0.47 0.00 0.00 36.82 38.86 1pj4 h ILE 3104CO 0.21 0.06 -0.02 -0.08 -3.07 0.00 0.00 178.15 175.26 1pj4 h GLU 3105N 0.35 1.05 0.00 2.19 4.81 -1.86 -3.10 114.58 118.03 1pj4 h GLU 3105Ca 0.24 -0.34 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 1pj4 h GLU 3105Cb 0.47 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1pj4 h GLU 3105CO -0.06 1.04 -0.49 0.66 -0.73 0.00 0.00 179.01 179.43 1pj4 h SER 3106N 0.94 0.00 -1.43 1.04 4.64 -1.90 -3.40 113.55 113.44 1pj4 h SER 3106Ca 0.16 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.80 1pj4 h SER 3106Cb 0.58 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.48 1pj4 h SER 3106CO 0.03 0.20 1.35 0.18 -0.87 0.00 0.00 176.83 177.72 1pj4 n LEU 3107N -3.02 7.36 0.00 5.97 4.77 -1.05 -4.56 117.00 126.47 1pj4 n LEU 3107Ca 0.01 -4.71 0.00 0.00 -0.03 0.00 0.00 56.01 51.28 1pj4 n LEU 3107Cb 0.62 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 1pj4 n LEU 3107CO 0.38 1.92 0.00 -2.65 -1.33 0.00 0.00 177.39 175.71 1pj4 n PRO 3109N 0.84 0.00 -0.10 3.23 -0.02 -1.26 -1.07 135.00 136.62 1pj4 n PRO 3109Ca 0.54 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.79 1pj4 n PRO 3109Cb 0.34 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.71 1pj4 n PRO 3109CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1pj4 n ILE 3110N 0.00 1.58 0.27 4.25 -0.00 -1.26 -2.50 119.36 121.70 1pj4 n ILE 3110Ca 0.00 -0.41 0.12 0.00 -0.00 0.00 0.00 62.75 62.46 1pj4 n ILE 3110Cb 0.00 -1.77 0.13 0.00 -0.00 0.00 0.00 39.64 38.00 1pj4 n ILE 3110CO 0.00 0.00 0.00 1.62 -0.00 0.00 0.00 176.55 178.17 1pj4 h VAL 3111N -0.52 0.00 -1.12 1.39 3.04 -1.49 -3.37 116.25 114.19 1pj4 h VAL 3111Ca -0.53 -0.86 0.00 0.00 -1.01 0.00 0.00 66.70 64.29 1pj4 h VAL 3111Cb 1.71 1.60 0.00 0.00 -2.01 0.00 0.00 31.29 32.59 1pj4 h VAL 3111CO -0.18 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.38 1pj4 n TYR 3112N -2.69 0.00 -2.20 3.17 9.36 -1.26 -4.64 117.16 118.89 1pj4 n TYR 3112Ca 0.02 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.84 1pj4 n TYR 3112Cb 0.51 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.20 1pj4 n TYR 3112CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1pj4 s THR 3113N 1.38 2.91 -0.24 2.97 -1.32 -1.26 -1.33 115.64 118.75 1pj4 s THR 3113Ca 0.00 0.89 0.20 0.00 -1.21 0.00 0.00 61.69 61.57 1pj4 s THR 3113Cb 0.00 -3.56 0.04 0.00 -1.51 0.00 0.00 72.50 67.48 1pj4 s THR 3113CO 0.00 0.19 1.15 1.55 -2.21 0.00 0.00 174.62 175.31 1pj4 h PRO 3114N 3.33 0.00 -0.39 7.08 0.13 -1.96 -3.36 132.00 136.84 1pj4 h PRO 3114Ca -0.49 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.71 1pj4 h PRO 3114Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1pj4 h PRO 3114CO 0.65 0.14 0.26 1.15 -0.23 0.00 0.00 178.00 179.97 1pj4 h THR 3115N 0.00 0.92 -0.49 1.56 2.02 -1.17 -0.97 112.91 114.78 1pj4 h THR 3115Ca -0.04 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1pj4 h THR 3115Cb 1.19 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1pj4 h THR 3115CO 0.02 0.04 0.30 1.62 0.37 0.00 0.00 175.52 177.87 1pj4 h VAL 3116N 0.23 1.14 -0.66 3.16 3.04 -1.37 0.13 116.25 121.93 1pj4 h VAL 3116Ca 0.17 -0.30 -0.06 0.00 -1.01 0.00 0.00 66.70 65.50 1pj4 h VAL 3116Cb 0.39 0.44 -0.03 0.00 -2.01 0.00 0.00 31.29 30.09 1pj4 h VAL 3116CO -0.03 0.14 0.18 1.23 -1.01 0.00 0.00 177.57 178.09 1pj4 h GLY 3117N 0.71 1.12 1.06 3.17 0.00 -1.43 -0.94 103.07 106.75 1pj4 h GLY 3117Ca 0.18 -0.68 -0.07 0.00 0.00 0.00 0.00 47.33 46.76 1pj4 h GLY 3117CO -0.03 0.64 0.18 -2.00 0.00 0.00 0.00 176.54 175.33 1pj4 h LEU 3118N 0.97 1.06 -0.67 3.11 5.85 -1.08 -2.52 115.31 122.03 1pj4 h LEU 3118Ca 0.21 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1pj4 h LEU 3118Cb 0.33 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1pj4 h LEU 3118CO -0.00 1.01 0.24 0.00 -0.34 0.00 0.00 178.44 179.35 1pj4 h ALA 3119N 1.09 0.87 -0.42 1.25 0.00 -0.41 -2.77 119.26 118.87 1pj4 h ALA 3119Ca 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1pj4 h ALA 3119Cb 0.35 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1pj4 h ALA 3119CO -0.00 0.51 0.20 0.00 0.00 0.00 0.00 179.25 179.97 1pj4 h SER 3121N 0.55 0.00 -0.05 0.00 4.64 -1.26 -1.74 113.55 115.69 1pj4 h SER 3121Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1pj4 h SER 3121Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1pj4 h SER 3121CO -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 1pj4 n GLN 3122N -2.84 2.25 -0.22 4.77 1.13 -0.82 -4.85 117.38 116.81 1pj4 n GLN 3122Ca -0.01 -2.11 0.02 0.00 -1.94 0.00 0.00 57.00 52.96 1pj4 n GLN 3122Cb 0.13 -1.30 0.12 0.00 0.11 0.00 0.00 30.24 29.30 1pj4 n GLN 3122CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 1pj4 h TYR 3123N 0.29 -0.00 0.00 1.08 3.20 0.69 0.03 116.97 122.25 1pj4 h TYR 3123Ca 0.00 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1pj4 h TYR 3123Cb 0.80 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.17 1pj4 h TYR 3123CO 0.06 -0.16 -0.10 0.78 -1.64 0.00 0.00 178.16 177.10 1pj4 h GLY 3124N 0.13 0.00 1.56 1.82 0.00 -1.83 -2.06 103.07 102.69 1pj4 h GLY 3124Ca 0.35 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.48 1pj4 h GLY 3124CO -0.54 0.00 -1.15 0.45 0.00 0.00 0.00 176.54 175.30 1pj4 h HIS 3125N 0.00 0.00 -0.15 5.60 3.86 -1.28 -3.35 115.15 119.83 1pj4 h HIS 3125Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1pj4 h HIS 3125Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1pj4 h HIS 3125CO 0.00 0.81 0.00 0.44 0.86 0.00 0.00 177.93 180.04 1pj4 n ILE 3126N -3.16 0.25 -1.61 2.45 -5.35 -0.97 -5.02 119.36 105.95 1pj4 n ILE 3126Ca -0.06 -0.63 -0.44 0.00 -0.27 0.00 0.00 62.75 61.36 1pj4 n ILE 3126Cb 0.90 1.13 -0.01 0.00 -1.74 0.00 0.00 39.64 39.93 1pj4 n ILE 3126CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 1pj4 n PHE 3127N 0.96 1.43 0.01 4.28 7.35 -0.79 -4.89 117.46 125.81 1pj4 n PHE 3127Ca 0.12 0.67 0.00 0.00 -0.76 0.00 0.00 57.45 57.47 1pj4 n PHE 3127Cb 0.44 -2.27 0.00 0.00 0.35 0.00 0.00 39.48 38.00 1pj4 n PHE 3127CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1pj4 n ARG 3128N 0.65 0.00 -3.98 -4.13 1.74 -1.26 -5.10 116.66 104.57 1pj4 n ARG 3128Ca 0.09 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.06 1pj4 n ARG 3128Cb 0.33 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.65 1pj4 n ARG 3128CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1pj4 s ARG 3129N -2.00 0.28 0.48 5.56 0.52 -1.26 -5.15 118.95 117.38 1pj4 s ARG 3129Ca 0.00 -0.45 -0.12 0.00 -0.52 0.00 0.00 55.73 54.64 1pj4 s ARG 3129Cb 0.00 -0.03 -0.06 0.00 0.52 0.00 0.00 34.95 35.37 1pj4 s ARG 3129CO 0.00 -0.01 0.88 -1.25 0.02 0.00 0.00 175.30 174.94 1pj4 s PRO 3130N -1.01 3.79 -0.02 3.54 0.04 -1.26 -5.07 135.00 135.01 1pj4 s PRO 3130Ca -0.09 0.65 0.01 0.00 0.04 0.00 0.00 61.00 61.60 1pj4 s PRO 3130Cb -0.07 -2.26 0.01 0.00 0.04 0.00 0.00 34.50 32.22 1pj4 s PRO 3130CO -0.00 -0.20 -0.03 0.15 0.04 0.00 0.00 177.00 176.96 1pj4 s LYS 3131N -4.17 0.45 0.00 4.56 1.02 -1.26 -5.11 119.74 115.22 1pj4 s LYS 3131Ca 0.54 -0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.46 1pj4 s LYS 3131Cb -0.10 -0.50 0.00 0.00 -0.52 0.00 0.00 37.83 36.70 1pj4 s LYS 3131CO 0.35 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.17 1pj4 n GLY 3132N 3.61 -0.39 3.79 -3.33 0.00 -1.26 -4.95 105.19 102.66 1pj4 n GLY 3132Ca -0.21 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.65 1pj4 n GLY 3132CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pj4 s LEU 3133N -1.45 4.28 -0.18 0.99 0.20 0.29 -5.00 118.68 117.81 1pj4 s LEU 3133Ca 0.00 0.33 -0.02 0.00 0.69 0.00 0.00 54.13 55.13 1pj4 s LEU 3133Cb 0.00 -2.08 -0.01 0.00 -0.43 0.00 0.00 46.19 43.67 1pj4 s LEU 3133CO 0.00 0.28 -0.08 -0.36 -0.29 0.00 0.00 176.35 175.90 1pj4 s PHE 3134N -0.26 2.91 -0.13 5.38 0.40 -1.26 -1.34 117.98 123.68 1pj4 s PHE 3134Ca 0.11 -0.80 0.01 0.00 -0.60 0.00 0.00 56.93 55.65 1pj4 s PHE 3134Cb -0.11 -1.99 0.02 0.00 0.51 0.00 0.00 43.02 41.44 1pj4 s PHE 3134CO 0.01 -0.39 -0.15 0.42 0.70 0.00 0.00 175.22 175.81 1pj4 s ILE 3135N 0.96 1.55 0.32 0.64 1.01 -0.49 -4.99 121.20 120.20 1pj4 s ILE 3135Ca -0.01 -0.64 0.09 0.00 0.00 0.00 0.00 60.65 60.09 1pj4 s ILE 3135Cb -0.15 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 1pj4 s ILE 3135CO -0.00 0.45 0.07 -0.94 0.00 0.00 0.00 174.94 174.52 1pj4 s SER 3136N 1.28 4.55 0.58 3.58 1.04 -1.26 0.26 113.70 123.74 1pj4 s SER 3136Ca 0.00 -0.77 0.30 0.00 0.48 0.00 0.00 55.95 55.96 1pj4 s SER 3136Cb -0.14 -0.74 1.79 0.00 0.10 0.00 0.00 66.02 67.04 1pj4 s SER 3136CO -0.07 -0.19 2.24 -0.29 0.98 0.00 0.00 173.24 175.91 1pj4 h ILE 3137N 1.70 0.52 0.00 -1.02 6.09 -1.45 0.11 117.51 123.47 1pj4 h ILE 3137Ca -0.44 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 62.98 1pj4 h ILE 3137Cb 1.25 1.05 0.00 0.00 0.47 0.00 0.00 36.82 39.59 1pj4 h ILE 3137CO 0.63 0.02 0.00 -1.20 -3.07 0.00 0.00 178.15 174.53 1pj4 n SER 3138N -3.81 0.14 -1.17 2.19 7.64 -1.26 -2.46 113.62 114.89 1pj4 n SER 3138Ca -0.03 0.53 0.12 0.00 1.01 0.00 0.00 58.87 60.50 1pj4 n SER 3138Cb 0.10 -0.56 0.23 0.00 -1.01 0.00 0.00 64.21 62.97 1pj4 n SER 3138CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1pj4 n ASP 3139N -1.65 3.48 -4.64 6.43 8.00 0.39 -4.98 116.55 123.58 1pj4 n ASP 3139Ca 0.04 -1.99 -0.46 0.00 0.71 0.00 0.00 54.79 53.09 1pj4 n ASP 3139Cb 0.24 -0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 1pj4 n ASP 3139CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1pj4 n ARG 3140N 1.50 1.78 0.00 -1.24 1.85 -1.03 -0.57 116.66 118.95 1pj4 n ARG 3140Ca 0.20 0.63 0.00 0.00 -1.00 0.00 0.00 57.85 57.68 1pj4 n ARG 3140Cb 0.61 -2.24 0.00 0.00 -1.05 0.00 0.00 32.46 29.78 1pj4 n ARG 3140CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1pj4 n GLY 3141N 2.07 1.21 0.53 2.89 0.00 -1.26 -4.83 105.19 105.80 1pj4 n GLY 3141Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 1pj4 n GLY 3141CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pj4 n HIS 3142N -2.00 0.00 -0.07 1.61 8.25 0.27 -4.85 115.22 118.43 1pj4 n HIS 3142Ca 0.00 -0.40 0.01 0.00 -0.26 0.00 0.00 57.72 57.07 1pj4 n HIS 3142Cb 0.00 -0.10 0.31 0.00 1.12 0.00 0.00 29.99 31.32 1pj4 n HIS 3142CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1pj4 h VAL 3143N 4.96 1.17 -0.65 1.59 2.07 -1.87 -2.78 116.25 120.74 1pj4 h VAL 3143Ca -0.03 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 1pj4 h VAL 3143Cb 1.35 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1pj4 h VAL 3143CO 0.01 0.21 0.24 -0.09 0.02 0.00 0.00 177.57 177.96 1pj4 h ARG 3144N 0.68 0.97 0.00 1.57 9.65 -1.88 -1.64 114.38 123.73 1pj4 h ARG 3144Ca 0.17 -0.17 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1pj4 h ARG 3144Cb 0.11 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 28.52 1pj4 h ARG 3144CO -0.02 0.80 -0.04 0.66 2.80 0.00 0.00 179.97 184.17 1pj4 h SER 3145N 0.95 0.00 0.01 -3.80 4.64 -1.88 -0.26 113.55 113.21 1pj4 h SER 3145Ca 0.22 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.36 1pj4 h SER 3145Cb 0.21 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1pj4 h SER 3145CO -0.02 0.04 -0.72 0.40 -0.87 0.00 0.00 176.83 175.66 1pj4 h ILE 3146N 0.00 1.40 -0.53 0.95 2.04 -1.29 -3.10 117.51 116.97 1pj4 h ILE 3146Ca -0.00 -2.14 -0.03 0.00 1.00 0.00 0.00 64.86 63.68 1pj4 h ILE 3146Cb 0.61 2.58 -0.03 0.00 -0.74 0.00 0.00 36.82 39.25 1pj4 h ILE 3146CO 0.00 0.63 0.19 0.58 0.00 0.00 0.00 178.15 179.56 1pj4 h VAL 3147N -0.00 1.20 0.00 1.67 2.07 -0.88 -0.84 116.25 119.47 1pj4 h VAL 3147Ca -0.09 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1pj4 h VAL 3147Cb 1.42 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1pj4 h VAL 3147CO 0.14 0.26 0.00 0.47 0.02 0.00 0.00 177.57 178.46 1pj4 n ASP 3148N -4.32 0.23 0.16 0.57 8.00 -0.15 -2.25 116.55 118.79 1pj4 n ASP 3148Ca 0.04 0.56 0.12 0.00 0.71 0.00 0.00 54.79 56.22 1pj4 n ASP 3148Cb 0.18 -0.61 0.15 0.00 -0.02 0.00 0.00 41.12 40.82 1pj4 n ASP 3148CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1pj4 h ASN 3149N 0.00 0.00 -2.77 -2.24 2.35 -1.07 -3.45 115.58 108.40 1pj4 h ASN 3149Ca 0.00 -0.02 -0.53 0.00 -0.55 0.00 0.00 56.30 55.20 1pj4 h ASN 3149Cb 0.27 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.66 1pj4 h ASN 3149CO 0.00 0.01 0.93 0.86 -1.65 0.00 0.00 177.43 177.58 1pj4 s TRP 3150N -3.23 2.66 0.26 1.19 -0.11 -0.95 -4.91 118.94 113.84 1pj4 s TRP 3150Ca 0.05 0.50 -0.02 0.00 1.22 0.00 0.00 56.10 57.86 1pj4 s TRP 3150Cb 0.08 -3.88 0.45 0.00 -1.50 0.00 0.00 33.47 28.62 1pj4 s TRP 3150CO 0.70 -3.43 1.84 -1.35 -4.62 0.00 0.00 176.95 170.09 1pj4 h PRO 3151N 7.90 0.94 -6.66 5.86 0.11 -1.89 -3.44 132.00 134.83 1pj4 h PRO 3151Ca -0.42 -0.06 -0.51 0.00 0.11 0.00 0.00 66.00 65.12 1pj4 h PRO 3151Cb 1.20 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 1pj4 h PRO 3151CO 0.92 0.62 0.44 -1.21 -0.21 0.00 0.00 178.00 178.56 1pj4 s GLU 3152N -6.01 4.65 0.00 1.05 0.41 -1.26 -4.96 118.70 112.58 1pj4 s GLU 3152Ca -0.12 1.64 0.22 0.00 -0.41 0.00 0.00 54.97 56.31 1pj4 s GLU 3152Cb 0.20 -3.29 0.03 0.00 -1.78 0.00 0.00 34.13 29.29 1pj4 s GLU 3152CO 0.80 0.16 1.09 0.27 -0.49 0.00 0.00 175.26 177.09 1pj4 n ASN 3153N 2.29 1.14 -3.14 -0.19 6.94 -1.26 -4.64 115.26 116.40 1pj4 n ASN 3153Ca 0.02 -0.97 -0.23 0.00 -0.02 0.00 0.00 54.58 53.38 1pj4 n ASN 3153Cb 0.47 0.68 -0.05 0.00 -2.36 0.00 0.00 39.78 38.52 1pj4 n ASN 3153CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 1pj4 n HIS 3154N -1.11 2.00 -2.51 -2.53 -0.00 -1.26 -4.93 115.22 104.88 1pj4 n HIS 3154Ca 0.06 -3.90 -0.41 0.00 -0.00 0.00 0.00 57.72 53.48 1pj4 n HIS 3154Cb 0.36 -0.46 -0.04 0.00 -0.00 0.00 0.00 29.99 29.86 1pj4 n HIS 3154CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1pj4 s VAL 3155N -2.97 3.82 0.00 3.57 1.01 -1.26 -4.52 120.40 120.05 1pj4 s VAL 3155Ca 0.42 1.60 0.00 0.00 0.00 0.00 0.00 61.98 64.00 1pj4 s VAL 3155Cb 0.27 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1pj4 s VAL 3155CO -0.09 0.29 0.00 0.29 0.00 0.00 0.00 175.10 175.58 1pj4 n LYS 3156N 2.25 0.34 -3.86 2.72 4.76 0.67 -4.90 118.16 120.14 1pj4 n LYS 3156Ca 0.02 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.29 1pj4 n LYS 3156Cb 0.46 -0.99 -0.16 0.00 -1.84 0.00 0.00 35.03 32.50 1pj4 n LYS 3156CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pj4 s ALA 3157N -1.96 0.29 -0.07 7.82 0.00 -0.55 -1.31 121.76 125.97 1pj4 s ALA 3157Ca 0.00 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.18 1pj4 s ALA 3157Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1pj4 s ALA 3157CO 0.00 -0.15 -0.20 0.08 0.00 0.00 0.00 175.76 175.50 1pj4 s VAL 3158N 1.20 1.71 -0.21 0.00 1.01 0.10 -0.52 120.40 123.70 1pj4 s VAL 3158Ca -0.07 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1pj4 s VAL 3158Cb -0.13 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.78 1pj4 s VAL 3158CO -0.02 0.48 -0.13 -0.69 0.00 0.00 0.00 175.10 174.74 1pj4 s VAL 3159N 0.27 2.56 0.08 2.92 1.01 -1.02 0.60 120.40 126.81 1pj4 s VAL 3159Ca -0.12 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.07 1pj4 s VAL 3159Cb -0.15 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1pj4 s VAL 3159CO 0.05 0.42 -0.22 0.54 0.00 0.00 0.00 175.10 175.90 1pj4 s VAL 3160N 1.34 1.78 0.12 2.92 0.11 -0.50 -0.88 120.40 125.29 1pj4 s VAL 3160Ca 0.04 -1.41 -0.06 0.00 -2.93 0.00 0.00 61.98 57.62 1pj4 s VAL 3160Cb -0.14 -1.58 -0.02 0.00 -1.53 0.00 0.00 36.38 33.11 1pj4 s VAL 3160CO -0.08 0.09 0.16 0.28 -3.33 0.00 0.00 175.10 172.22 1pj4 s THR 3161N -0.98 0.11 -0.00 5.04 -1.32 -0.84 -0.53 115.64 117.12 1pj4 s THR 3161Ca 0.08 -1.53 0.00 0.00 -1.21 0.00 0.00 61.69 59.03 1pj4 s THR 3161Cb -0.09 -1.73 0.01 0.00 -1.51 0.00 0.00 72.50 69.17 1pj4 s THR 3161CO 0.03 -0.52 0.97 -0.90 -2.21 0.00 0.00 174.62 171.99 1pj4 n ASP 3162N -0.10 1.87 -1.25 8.08 5.75 -1.26 -0.63 116.55 129.01 1pj4 n ASP 3162Ca -0.10 -1.96 -0.16 0.00 -0.01 0.00 0.00 54.79 52.57 1pj4 n ASP 3162Cb 0.63 -0.01 -0.07 0.00 -1.03 0.00 0.00 41.12 40.64 1pj4 n ASP 3162CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pj4 n GLY 3163N -0.49 1.57 0.11 6.12 0.00 -1.26 -4.64 105.19 106.60 1pj4 n GLY 3163Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 1pj4 n GLY 3163CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pj4 h GLU 3164N 0.01 0.00 -2.09 1.61 4.81 -1.81 -0.92 114.58 116.19 1pj4 h GLU 3164Ca -0.33 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.32 1pj4 h GLU 3164Cb 1.24 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 30.22 1pj4 h GLU 3164CO 0.49 0.60 -0.93 -2.13 -0.73 0.00 0.00 179.01 176.31 1pj4 n ARG 3165N -3.20 1.31 -2.55 1.92 0.63 -0.85 -2.57 116.66 111.35 1pj4 n ARG 3165Ca -0.01 -3.71 -0.43 0.00 -0.92 0.00 0.00 57.85 52.78 1pj4 n ARG 3165Cb 0.82 -1.58 -0.02 0.00 0.45 0.00 0.00 32.46 32.12 1pj4 n ARG 3165CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1pj4 s ILE 3166N -1.57 4.11 0.00 5.15 -1.09 -0.02 -4.48 121.20 123.30 1pj4 s ILE 3166Ca 0.36 1.11 0.00 0.00 -2.23 0.00 0.00 60.65 59.89 1pj4 s ILE 3166Cb 0.16 -4.56 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 1pj4 s ILE 3166CO -0.08 -1.03 0.00 0.18 -1.23 0.00 0.00 174.94 172.78 1pj4 n LEU 3167N 8.16 0.00 -0.82 2.97 4.77 -1.26 0.16 117.00 130.98 1pj4 n LEU 3167Ca 0.12 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.17 1pj4 n LEU 3167Cb 0.49 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.79 1pj4 n LEU 3167CO 0.72 0.00 0.68 0.61 -1.33 0.00 0.00 177.39 178.06 1pj4 n GLY 3168N 0.00 3.26 0.19 -0.72 0.00 0.20 -4.53 105.19 103.60 1pj4 n GLY 3168Ca 0.00 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.47 1pj4 n GLY 3168CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pj4 h LEU 3169N 2.11 0.00 0.00 0.99 4.07 -0.47 -3.45 115.31 118.56 1pj4 h LEU 3169Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1pj4 h LEU 3169Cb 1.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1pj4 h LEU 3169CO 0.11 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.08 1pj4 n GLY 3170N 1.14 -0.30 3.59 0.83 0.00 -1.15 -4.87 105.19 104.43 1pj4 n GLY 3170Ca 0.04 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 1pj4 n GLY 3170CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pj4 s ASP 3171N -4.00 6.58 -0.01 1.61 -1.08 -1.06 -0.84 116.67 117.88 1pj4 s ASP 3171Ca 0.00 0.35 0.03 0.00 -0.52 0.00 0.00 52.55 52.41 1pj4 s ASP 3171Cb 0.00 -2.52 0.08 0.00 -1.46 0.00 0.00 42.92 39.01 1pj4 s ASP 3171CO 0.00 -1.22 1.06 0.18 0.52 0.00 0.00 175.17 175.71 1pj4 n LEU 3172N 7.71 2.22 0.00 -1.34 4.77 -0.36 -4.56 117.00 125.44 1pj4 n LEU 3172Ca 0.10 -2.05 0.00 0.00 -0.03 0.00 0.00 56.01 54.03 1pj4 n LEU 3172Cb 0.49 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1pj4 n LEU 3172CO 0.70 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.92 1pj4 n GLY 3173N -0.34 2.41 0.22 -0.72 0.00 -1.12 -1.20 105.19 104.44 1pj4 n GLY 3173Ca 0.03 -0.26 0.15 0.00 0.00 0.00 0.00 46.02 45.94 1pj4 n GLY 3173CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pj4 h VAL 3174N 0.00 0.00 0.00 1.61 2.07 -1.90 -0.37 116.25 117.66 1pj4 h VAL 3174Ca 0.00 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1pj4 h VAL 3174Cb 0.00 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1pj4 h VAL 3174CO 0.00 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 176.37 1pj4 n TYR 3175N -2.61 0.76 -2.12 1.57 0.53 -0.34 -4.67 117.16 110.28 1pj4 n TYR 3175Ca -0.01 0.33 -0.41 0.00 -1.02 0.00 0.00 57.90 56.79 1pj4 n TYR 3175Cb 0.13 -1.03 -0.01 0.00 -1.03 0.00 0.00 39.34 37.40 1pj4 n TYR 3175CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1pj4 n GLY 3176N -0.47 3.12 3.80 2.72 0.00 -0.15 -4.52 105.19 109.70 1pj4 n GLY 3176Ca 0.01 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1pj4 n GLY 3176CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pj4 n GLY 3178N 4.89 0.00 0.18 -0.02 0.00 -1.26 -4.12 105.19 104.87 1pj4 n GLY 3178Ca 0.50 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 1pj4 n GLY 3178CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pj4 h ILE 3179N 0.00 0.74 -0.84 -0.61 1.08 -1.90 -1.58 117.51 114.40 1pj4 h ILE 3179Ca 0.00 -0.63 0.06 0.00 -0.39 0.00 0.00 64.86 63.89 1pj4 h ILE 3179Cb 0.00 1.07 -0.05 0.00 -3.07 0.00 0.00 36.82 34.77 1pj4 h ILE 3179CO 0.00 0.13 0.55 -0.65 -0.69 0.00 0.00 178.15 177.49 1pj4 h PRO 3180N -0.73 0.93 -0.36 2.37 0.11 -1.89 0.28 132.00 132.70 1pj4 h PRO 3180Ca -0.04 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.91 1pj4 h PRO 3180Cb 0.49 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 1pj4 h PRO 3180CO 0.06 0.61 -0.20 -0.24 -0.21 0.00 0.00 178.00 178.02 1pj4 h VAL 3181N 0.96 1.27 -0.27 3.15 3.04 -1.90 -1.45 116.25 121.03 1pj4 h VAL 3181Ca 0.36 -1.28 -0.05 0.00 -1.01 0.00 0.00 66.70 64.72 1pj4 h VAL 3181Cb 0.18 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.66 1pj4 h VAL 3181CO -0.13 0.42 -0.03 1.23 -1.01 0.00 0.00 177.57 178.05 1pj4 h GLY 3182N 0.98 0.55 0.96 3.17 0.00 -0.21 -2.37 103.07 106.15 1pj4 h GLY 3182Ca 0.09 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.00 1pj4 h GLY 3182CO 0.05 0.40 0.14 0.50 0.00 0.00 0.00 176.54 177.63 1pj4 h LYS 3183N 0.28 0.28 0.00 4.80 1.79 -0.84 -2.47 116.57 120.41 1pj4 h LYS 3183Ca 0.07 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.51 1pj4 h LYS 3183Cb 0.49 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1pj4 h LYS 3183CO 0.02 0.19 -0.08 -0.07 -1.08 0.00 0.00 179.45 178.42 1pj4 h LEU 3184N 0.29 0.00 -0.72 2.94 3.38 -1.21 -1.18 115.31 118.81 1pj4 h LEU 3184Ca 0.09 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1pj4 h LEU 3184Cb -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1pj4 h LEU 3184CO -0.04 0.08 -0.10 0.00 0.09 0.00 0.00 178.44 178.48 1pj4 h LEU 3186N 0.79 0.00 -0.13 0.00 3.38 -1.06 0.17 115.31 118.46 1pj4 h LEU 3186Ca 0.13 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1pj4 h LEU 3186Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1pj4 h LEU 3186CO 0.04 0.36 0.05 1.88 0.09 0.00 0.00 178.44 180.86 1pj4 h TYR 3187N 0.00 0.09 0.01 1.13 -1.99 -0.97 0.24 116.97 115.48 1pj4 h TYR 3187Ca -0.00 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1pj4 h TYR 3187Cb 0.95 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.66 1pj4 h TYR 3187CO 0.00 0.05 -0.00 1.15 -0.00 0.00 0.00 178.16 179.35 1pj4 h THR 3188N 0.12 1.55 -0.66 -2.88 2.02 -1.37 -1.81 112.91 109.88 1pj4 h THR 3188Ca 0.06 -1.74 -0.05 0.00 0.77 0.00 0.00 66.41 65.45 1pj4 h THR 3188Cb 0.03 2.72 -0.03 0.00 -1.74 0.00 0.00 68.15 69.13 1pj4 h THR 3188CO -0.06 0.45 0.21 0.00 0.37 0.00 0.00 175.52 176.49 1pj4 h ALA 3189N 0.20 1.14 0.02 6.16 0.00 -0.68 -1.44 119.26 124.67 1pj4 h ALA 3189Ca -0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 1pj4 h ALA 3189Cb 0.74 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1pj4 h ALA 3189CO 0.00 0.60 -0.95 0.00 0.00 0.00 0.00 179.25 178.90 1pj4 n ALA 3191N -3.11 2.39 -1.97 0.00 0.00 -0.70 -4.35 120.51 112.78 1pj4 n ALA 3191Ca -0.25 -0.84 -0.14 0.00 0.00 0.00 0.00 53.44 52.22 1pj4 n ALA 3191Cb 0.67 -0.54 -0.02 0.00 0.00 0.00 0.00 19.45 19.56 1pj4 n ALA 3191CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj4 n GLY 3192N 0.86 0.36 3.71 0.00 0.00 -0.54 -4.78 105.19 104.79 1pj4 n GLY 3192Ca 0.11 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1pj4 n GLY 3192CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pj4 s ILE 3193N -2.63 4.55 -0.07 -0.61 1.01 -1.15 0.34 121.20 122.65 1pj4 s ILE 3193Ca 0.00 1.86 -0.34 0.00 0.00 0.00 0.00 60.65 62.18 1pj4 s ILE 3193Cb 0.00 -4.19 -0.11 0.00 0.01 0.00 0.00 42.46 38.16 1pj4 s ILE 3193CO 0.00 0.16 1.89 0.54 0.00 0.00 0.00 174.94 177.54 1pj4 n ARG 3194N 3.76 2.28 -0.35 2.79 1.74 -1.26 -4.00 116.66 121.62 1pj4 n ARG 3194Ca 0.06 0.84 0.07 0.00 -0.77 0.00 0.00 57.85 58.05 1pj4 n ARG 3194Cb 0.49 -2.70 0.23 0.00 -1.02 0.00 0.00 32.46 29.47 1pj4 n ARG 3194CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1pj4 h PRO 3195N 9.38 0.94 0.00 5.56 0.11 -1.95 -0.53 132.00 145.51 1pj4 h PRO 3195Ca -0.49 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1pj4 h PRO 3195Cb 1.27 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1pj4 h PRO 3195CO 0.95 0.62 0.00 -0.40 -0.21 0.00 0.00 178.00 178.96 1pj4 n ASP 3196N -4.64 0.00 -0.65 -2.05 5.75 -1.26 -1.72 116.55 111.98 1pj4 n ASP 3196Ca 0.19 0.16 0.07 0.00 -0.01 0.00 0.00 54.79 55.20 1pj4 n ASP 3196Cb 0.35 -0.31 0.19 0.00 -1.03 0.00 0.00 41.12 40.32 1pj4 n ASP 3196CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1pj4 n ARG 3197N -1.31 2.78 -4.49 0.11 1.74 -0.21 -4.65 116.66 110.63 1pj4 n ARG 3197Ca 0.05 -2.40 -0.32 0.00 -0.77 0.00 0.00 57.85 54.41 1pj4 n ARG 3197Cb 0.09 -1.52 -0.11 0.00 -1.02 0.00 0.00 32.46 29.90 1pj4 n ARG 3197CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pj4 s LEU 3199N -1.48 0.13 0.02 0.00 2.96 0.32 -4.97 118.68 115.66 1pj4 s LEU 3199Ca 0.17 -0.44 -0.27 0.00 -0.22 0.00 0.00 54.13 53.37 1pj4 s LEU 3199Cb -0.11 0.06 -0.04 0.00 0.50 0.00 0.00 46.19 46.60 1pj4 s LEU 3199CO 0.07 -0.34 0.86 -2.16 -1.32 0.00 0.00 176.35 173.46 1pj4 s PRO 3200N 2.23 4.55 -0.02 0.98 0.05 -1.26 -2.44 135.00 139.09 1pj4 s PRO 3200Ca 0.04 1.22 0.04 0.00 0.05 0.00 0.00 61.00 62.35 1pj4 s PRO 3200Cb -0.16 -3.41 -0.01 0.00 0.05 0.00 0.00 34.50 30.97 1pj4 s PRO 3200CO -0.11 0.13 -0.13 0.08 0.05 0.00 0.00 177.00 177.02 1pj4 s VAL 3201N 0.44 1.03 -0.13 -0.36 1.01 -0.06 -0.55 120.40 121.79 1pj4 s VAL 3201Ca 0.44 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1pj4 s VAL 3201Cb -0.21 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.31 1pj4 s VAL 3201CO 0.25 0.30 -0.19 0.00 0.00 0.00 0.00 175.10 175.46 1pj4 s ILE 3203N 0.93 5.26 -0.38 0.00 -1.09 0.19 -1.39 121.20 124.72 1pj4 s ILE 3203Ca -0.06 -0.04 -0.09 0.00 -2.23 0.00 0.00 60.65 58.23 1pj4 s ILE 3203Cb -0.15 -3.70 0.05 0.00 -1.58 0.00 0.00 42.46 37.08 1pj4 s ILE 3203CO -0.03 0.04 0.21 -0.62 -1.23 0.00 0.00 174.94 173.31 1pj4 s ASP 3204N 1.73 5.61 -0.12 3.58 2.15 0.14 -4.33 116.67 125.43 1pj4 s ASP 3204Ca 0.08 -1.22 0.17 0.00 0.43 0.00 0.00 52.55 52.01 1pj4 s ASP 3204Cb -0.17 -1.98 0.28 0.00 -0.30 0.00 0.00 42.92 40.75 1pj4 s ASP 3204CO 0.11 -0.43 1.14 1.33 -0.17 0.00 0.00 175.17 177.15 1pj4 n VAL 3205N 4.93 1.76 0.00 1.11 0.24 -1.26 -1.03 118.33 124.08 1pj4 n VAL 3205Ca -0.11 -2.15 0.00 0.00 -2.04 0.00 0.00 64.34 60.03 1pj4 n VAL 3205Cb 0.44 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 1pj4 n VAL 3205CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pj4 n GLY 3206N -1.30 -2.03 3.34 7.63 0.00 -1.26 -1.20 105.19 110.37 1pj4 n GLY 3206Ca 0.15 -2.20 -0.14 0.00 0.00 0.00 0.00 46.02 43.83 1pj4 n GLY 3206CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pj4 s THR 3207N -0.86 0.01 -2.37 2.61 -1.32 -0.09 -4.48 115.64 109.15 1pj4 s THR 3207Ca 0.00 -0.11 0.22 0.00 -1.21 0.00 0.00 61.69 60.59 1pj4 s THR 3207Cb 0.00 -0.66 0.43 0.00 -1.51 0.00 0.00 72.50 70.76 1pj4 s THR 3207CO 0.00 -0.06 1.46 0.47 -2.21 0.00 0.00 174.62 174.28 1pj4 n ASP 3208N 2.30 2.63 -4.60 8.08 8.00 -1.26 -3.93 116.55 127.76 1pj4 n ASP 3208Ca -0.16 -1.88 -0.43 0.00 0.71 0.00 0.00 54.79 53.04 1pj4 n ASP 3208Cb 0.57 -0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 41.45 1pj4 n ASP 3208CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1pj4 s ASN 3209N -1.49 6.38 0.33 -2.24 3.84 -1.26 -4.88 114.94 115.61 1pj4 s ASN 3209Ca 0.35 0.88 0.06 0.00 0.21 0.00 0.00 52.86 54.37 1pj4 s ASN 3209Cb 0.20 -2.54 0.57 0.00 -0.55 0.00 0.00 41.25 38.93 1pj4 s ASN 3209CO 0.29 -1.39 1.80 0.40 -2.79 0.00 0.00 177.10 175.41 1pj4 h ILE 3210N 6.39 1.24 -0.56 -5.21 1.08 -1.95 -2.89 117.51 115.62 1pj4 h ILE 3210Ca -0.27 -1.11 -0.07 0.00 -0.39 0.00 0.00 64.86 63.01 1pj4 h ILE 3210Cb 1.10 1.34 -0.02 0.00 -3.07 0.00 0.00 36.82 36.17 1pj4 h ILE 3210CO 1.08 0.35 0.06 0.00 -0.69 0.00 0.00 178.15 178.95 1pj4 h ALA 3211N 1.46 1.05 -0.12 1.87 0.00 -1.99 -2.96 119.26 118.57 1pj4 h ALA 3211Ca 0.05 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1pj4 h ALA 3211Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1pj4 h ALA 3211CO 0.04 0.60 -0.60 -0.07 0.00 0.00 0.00 179.25 179.22 1pj4 h LEU 3212N 0.86 0.45 -0.46 0.00 3.38 -1.91 -2.91 115.31 114.72 1pj4 h LEU 3212Ca 0.17 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1pj4 h LEU 3212Cb 0.42 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1pj4 h LEU 3212CO 0.01 0.94 0.00 0.18 0.09 0.00 0.00 178.44 179.66 1pj4 n LEU 3213N -3.91 0.28 -0.27 1.67 4.77 -1.11 -1.53 117.00 116.91 1pj4 n LEU 3213Ca -0.03 0.59 0.03 0.00 -0.03 0.00 0.00 56.01 56.57 1pj4 n LEU 3213Cb 0.62 -0.58 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1pj4 n LEU 3213CO 0.46 -0.53 0.46 2.29 -1.33 0.00 0.00 177.39 178.74 1pj4 n LYS 3214N -1.84 1.47 -3.01 3.23 2.85 -1.14 -4.97 118.16 114.74 1pj4 n LYS 3214Ca 0.01 -1.33 -0.41 0.00 -1.05 0.00 0.00 58.31 55.53 1pj4 n LYS 3214Cb 0.12 -1.12 -0.05 0.00 -0.65 0.00 0.00 35.03 33.33 1pj4 n LYS 3214CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1pj4 s ASP 3215N -0.75 6.65 0.00 -5.58 -1.08 -0.58 -4.94 116.67 110.39 1pj4 s ASP 3215Ca 0.09 0.73 0.13 0.00 -0.52 0.00 0.00 52.55 52.98 1pj4 s ASP 3215Cb 0.05 -2.38 0.59 0.00 -1.46 0.00 0.00 42.92 39.72 1pj4 s ASP 3215CO 0.07 -0.49 1.42 -0.81 0.52 0.00 0.00 175.17 175.89 1pj4 n PRO 3216N 5.94 0.02 0.00 4.34 -0.04 -1.26 -2.19 135.00 141.80 1pj4 n PRO 3216Ca 0.02 0.26 0.12 0.00 -0.04 0.00 0.00 63.50 63.85 1pj4 n PRO 3216Cb 0.48 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.52 1pj4 n PRO 3216CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1pj4 n PHE 3217N -1.48 0.00 0.00 0.54 3.72 -1.26 -5.16 117.46 113.82 1pj4 n PHE 3217Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1pj4 n PHE 3217Cb 0.15 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 1pj4 n PHE 3217CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1pj4 n TYR 3218N 1.08 -1.24 0.00 1.38 -0.00 -0.93 -4.46 117.16 112.99 1pj4 n TYR 3218Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.03 1pj4 n TYR 3218Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.91 1pj4 n TYR 3218CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1pj4 n GLY 3220N 0.00 0.00 3.75 2.98 0.00 -1.26 -5.07 105.19 105.59 1pj4 n GLY 3220Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1pj4 n GLY 3220CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pj4 s LEU 3221N 0.00 4.37 -1.30 0.99 1.02 -1.26 -4.91 118.68 117.59 1pj4 s LEU 3221Ca 0.00 2.77 -0.11 0.00 0.02 0.00 0.00 54.13 56.81 1pj4 s LEU 3221Cb 0.00 -3.63 0.14 0.00 0.02 0.00 0.00 46.19 42.72 1pj4 s LEU 3221CO 0.00 -0.76 1.86 -1.22 0.02 0.00 0.00 176.35 176.25 1pj4 n TYR 3222N 2.09 3.40 -3.64 0.29 4.02 -1.26 -4.60 117.16 117.46 1pj4 n TYR 3222Ca 0.06 -2.90 -0.11 0.00 -0.01 0.00 0.00 57.90 54.94 1pj4 n TYR 3222Cb 0.39 -2.11 -0.05 0.00 -0.02 0.00 0.00 39.34 37.56 1pj4 n TYR 3222CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1pj4 s GLN 3223N 1.16 1.03 0.73 -0.72 -2.07 -1.26 -5.08 119.66 113.45 1pj4 s GLN 3223Ca 0.42 -0.61 -0.13 0.00 -1.82 0.00 0.00 55.36 53.22 1pj4 s GLN 3223Cb 0.08 0.45 0.04 0.00 -1.09 0.00 0.00 33.01 32.49 1pj4 s GLN 3223CO -0.01 -0.39 1.11 0.15 -1.32 0.00 0.00 175.29 174.84 1pj4 s LYS 3224N -3.44 2.37 0.22 9.60 -0.14 -1.26 -0.91 119.74 126.18 1pj4 s LYS 3224Ca 0.01 1.34 -0.32 0.00 -1.36 0.00 0.00 55.97 55.64 1pj4 s LYS 3224Cb 0.01 -1.90 -0.12 0.00 -1.68 0.00 0.00 37.83 34.14 1pj4 s LYS 3224CO -0.09 -1.58 1.71 0.54 -0.76 0.00 0.00 175.35 175.17 1pj4 n ARG 3225N -3.05 2.78 -2.65 1.68 1.74 -1.25 -4.34 116.66 111.56 1pj4 n ARG 3225Ca 0.10 1.00 -0.43 0.00 -0.77 0.00 0.00 57.85 57.75 1pj4 n ARG 3225Cb 0.52 -2.84 -0.02 0.00 -1.02 0.00 0.00 32.46 29.10 1pj4 n ARG 3225CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1pj4 s ASP 3226N 1.10 6.94 -0.10 0.55 -1.08 -0.34 -4.88 116.67 118.86 1pj4 s ASP 3226Ca 0.74 1.07 0.14 0.00 -0.52 0.00 0.00 52.55 53.98 1pj4 s ASP 3226Cb -0.50 -2.54 0.42 0.00 -1.46 0.00 0.00 42.92 38.84 1pj4 s ASP 3226CO 0.34 -0.85 1.34 0.54 0.52 0.00 0.00 175.17 177.06 1pj4 n ARG 3227N 6.80 2.89 -1.77 4.34 1.74 -1.26 -4.62 116.66 124.78 1pj4 n ARG 3227Ca 0.12 -2.48 -0.22 0.00 -0.77 0.00 0.00 57.85 54.49 1pj4 n ARG 3227Cb 0.47 -1.59 0.14 0.00 -1.02 0.00 0.00 32.46 30.47 1pj4 n ARG 3227CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1pj4 n THR 3228N -0.09 0.00 0.34 0.55 -2.24 -1.26 -4.90 114.28 106.67 1pj4 n THR 3228Ca 0.17 -0.97 0.22 0.00 -2.27 0.00 0.00 64.05 61.20 1pj4 n THR 3228Cb 0.68 -1.39 1.18 0.00 -2.10 0.00 0.00 70.33 68.71 1pj4 n THR 3228CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1pj4 h GLN 3229N 0.00 0.00 0.00 -0.78 -0.00 -2.01 -1.21 115.11 111.12 1pj4 h GLN 3229Ca -0.32 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.30 1pj4 h GLN 3229Cb 0.97 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.45 1pj4 h GLN 3229CO 0.26 0.00 -0.13 1.96 0.00 0.00 0.00 178.83 180.92 1pj4 h GLN 3230N 0.00 0.00 0.06 1.69 4.20 -1.94 0.13 115.11 119.25 1pj4 h GLN 3230Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pj4 h GLN 3230Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1pj4 h GLN 3230CO -0.00 0.13 -0.03 -0.92 -0.67 0.00 0.00 178.83 177.35 1pj4 h TYR 3231N 0.00 -0.07 -0.95 2.96 3.20 -1.47 -0.70 116.97 119.94 1pj4 h TYR 3231Ca -0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1pj4 h TYR 3231Cb 0.26 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.51 1pj4 h TYR 3231CO 0.00 0.30 0.59 -0.44 -1.64 0.00 0.00 178.16 176.97 1pj4 h ASP 3232N -0.45 1.13 -0.74 -2.11 3.45 -1.48 -1.58 116.42 114.63 1pj4 h ASP 3232Ca -0.01 -0.06 -0.04 0.00 0.43 0.00 0.00 57.03 57.35 1pj4 h ASP 3232Cb 0.40 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 38.85 1pj4 h ASP 3232CO 0.01 0.85 0.31 -0.78 -1.57 0.00 0.00 179.24 178.06 1pj4 h ASP 3233N 1.30 1.03 -0.38 6.45 3.58 -0.65 -1.25 116.42 126.50 1pj4 h ASP 3233Ca 0.34 -0.15 -0.03 0.00 0.42 0.00 0.00 57.03 57.62 1pj4 h ASP 3233Cb -0.08 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.68 1pj4 h ASP 3233CO -0.07 0.91 0.14 0.25 -2.88 0.00 0.00 179.24 177.59 1pj4 h LEU 3234N 1.09 0.53 -0.75 2.28 5.85 -0.39 -0.58 115.31 123.34 1pj4 h LEU 3234Ca 0.25 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1pj4 h LEU 3234Cb 0.20 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1pj4 h LEU 3234CO -0.02 0.57 0.39 0.40 -0.34 0.00 0.00 178.44 179.44 1pj4 h ILE 3235N 0.46 1.24 -0.31 4.05 1.08 -0.97 -0.48 117.51 122.58 1pj4 h ILE 3235Ca 0.12 -0.63 0.01 0.00 -0.39 0.00 0.00 64.86 63.98 1pj4 h ILE 3235Cb 0.22 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 34.22 1pj4 h ILE 3235CO -0.01 0.27 0.19 0.44 -0.69 0.00 0.00 178.15 178.35 1pj4 h ASP 3236N 1.05 0.32 -0.75 1.72 3.45 -0.94 -2.02 116.42 119.25 1pj4 h ASP 3236Ca 0.26 -0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.72 1pj4 h ASP 3236Cb 0.08 -0.07 -0.04 0.00 -0.56 0.00 0.00 39.33 38.74 1pj4 h ASP 3236CO -0.04 0.23 0.47 -0.08 -1.57 0.00 0.00 179.24 178.26 1pj4 h GLU 3237N 0.39 1.02 -0.55 3.56 4.81 -0.72 -1.79 114.58 121.31 1pj4 h GLU 3237Ca 0.12 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1pj4 h GLU 3237Cb -0.02 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.14 1pj4 h GLU 3237CO -0.04 0.70 0.00 0.34 -0.73 0.00 0.00 179.01 179.28 1pj4 n PHE 3238N -4.40 0.00 0.00 0.92 7.35 -0.22 -0.89 117.46 120.22 1pj4 n PHE 3238Ca 0.08 -0.03 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 1pj4 n PHE 3238Cb 0.05 -0.05 0.00 0.00 0.35 0.00 0.00 39.48 39.84 1pj4 n PHE 3238CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1pj4 n LYS 3240N 0.45 0.00 -0.06 -4.13 4.81 -0.67 -1.17 118.16 117.39 1pj4 n LYS 3240Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1pj4 n LYS 3240Cb 0.09 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.10 1pj4 n LYS 3240CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pj4 h ALA 3241N 0.00 0.27 -0.11 3.14 0.00 -1.27 0.24 119.26 121.53 1pj4 h ALA 3241Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1pj4 h ALA 3241Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1pj4 h ALA 3241CO 0.00 -0.18 0.00 0.82 0.00 0.00 0.00 179.25 179.89 1pj4 h ILE 3242N 0.22 0.93 -0.03 0.00 1.08 -1.39 -2.35 117.51 115.97 1pj4 h ILE 3242Ca 0.07 -0.02 -0.13 0.00 -0.39 0.00 0.00 64.86 64.39 1pj4 h ILE 3242Cb 0.10 0.88 -0.02 0.00 -3.07 0.00 0.00 36.82 34.71 1pj4 h ILE 3242CO -0.01 0.01 -0.60 0.71 -0.69 0.00 0.00 178.15 177.57 1pj4 h THR 3243N 0.05 1.41 -0.29 -0.27 1.35 -1.74 -1.59 112.91 111.83 1pj4 h THR 3243Ca 0.05 -2.03 -0.06 0.00 -0.55 0.00 0.00 66.41 63.82 1pj4 h THR 3243Cb 0.06 2.07 -0.02 0.00 -1.73 0.00 0.00 68.15 68.53 1pj4 h THR 3243CO -0.08 0.59 -0.08 0.44 -0.25 0.00 0.00 175.52 176.13 1pj4 h ASP 3244N 0.07 0.44 0.14 5.36 3.32 -0.28 0.43 116.42 125.89 1pj4 h ASP 3244Ca -0.01 -0.10 -0.33 0.00 0.02 0.00 0.00 57.03 56.61 1pj4 h ASP 3244Cb 1.08 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1pj4 h ASP 3244CO 0.08 0.57 -1.73 -0.09 -1.72 0.00 0.00 179.24 176.36 1pj4 h ARG 3245N 0.44 0.29 0.00 3.56 2.43 -1.31 -3.41 114.38 116.37 1pj4 h ARG 3245Ca 0.09 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1pj4 h ARG 3245Cb 0.42 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1pj4 h ARG 3245CO 0.02 1.24 -0.92 0.66 -1.51 0.00 0.00 179.97 179.46 1pj4 n TYR 3246N -3.69 0.00 0.00 2.20 4.02 -0.61 -5.05 117.16 114.03 1pj4 n TYR 3246Ca -0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 1pj4 n TYR 3246Cb 1.00 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 40.27 1pj4 n TYR 3246CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pj4 n GLY 3247N 1.41 3.60 0.18 2.72 0.00 0.14 -4.79 105.19 108.46 1pj4 n GLY 3247Ca 0.02 -1.63 0.14 0.00 0.00 0.00 0.00 46.02 44.55 1pj4 n GLY 3247CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pj4 h ARG 3248N 0.00 0.00 -0.60 1.61 2.43 -1.94 -2.89 114.38 112.99 1pj4 h ARG 3248Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1pj4 h ARG 3248Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1pj4 h ARG 3248CO 0.00 0.00 0.00 0.27 -1.51 0.00 0.00 179.97 178.73 1pj4 n ASN 3249N -2.55 5.16 -4.70 -3.80 0.23 -1.26 -4.06 115.26 104.29 1pj4 n ASN 3249Ca 0.02 -2.68 -0.42 0.00 -0.53 0.00 0.00 54.58 50.97 1pj4 n ASN 3249Cb 0.27 -0.62 -0.03 0.00 -2.08 0.00 0.00 39.78 37.32 1pj4 n ASN 3249CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1pj4 s THR 3250N -2.28 2.85 -0.06 5.53 2.01 -1.09 -4.85 115.64 117.75 1pj4 s THR 3250Ca 0.52 0.41 -0.30 0.00 0.31 0.00 0.00 61.69 62.64 1pj4 s THR 3250Cb 0.37 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 1pj4 s THR 3250CO 0.20 0.01 1.41 -0.22 -0.69 0.00 0.00 174.62 175.33 1pj4 s LEU 3251N 2.27 4.28 -0.27 4.42 0.20 -0.43 -4.37 118.68 124.79 1pj4 s LEU 3251Ca 0.74 2.01 0.03 0.00 0.69 0.00 0.00 54.13 57.60 1pj4 s LEU 3251Cb -0.42 -3.55 0.07 0.00 -0.43 0.00 0.00 46.19 41.86 1pj4 s LEU 3251CO 0.33 -0.77 -0.06 -0.63 -0.29 0.00 0.00 176.35 174.92 1pj4 s ILE 3252N 3.03 2.07 -0.32 6.68 1.01 -0.52 0.01 121.20 133.16 1pj4 s ILE 3252Ca 0.63 -1.72 -0.15 0.00 0.00 0.00 0.00 60.65 59.41 1pj4 s ILE 3252Cb -0.29 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 1pj4 s ILE 3252CO 0.24 -0.17 0.38 -1.58 0.00 0.00 0.00 174.94 173.81 1pj4 s GLN 3253N 1.11 3.73 0.02 2.79 0.74 0.20 -2.89 119.66 125.37 1pj4 s GLN 3253Ca -0.04 -0.23 -0.28 0.00 0.05 0.00 0.00 55.36 54.86 1pj4 s GLN 3253Cb -0.20 -3.75 -0.04 0.00 1.10 0.00 0.00 33.01 30.12 1pj4 s GLN 3253CO -0.06 -0.45 0.88 -0.06 -0.55 0.00 0.00 175.29 175.05 1pj4 s PHE 3254N 2.08 3.70 -0.03 1.67 0.40 -0.53 -1.41 117.98 123.86 1pj4 s PHE 3254Ca 0.14 1.59 0.01 0.00 -0.60 0.00 0.00 56.93 58.07 1pj4 s PHE 3254Cb -0.16 -2.98 0.02 0.00 0.51 0.00 0.00 43.02 40.41 1pj4 s PHE 3254CO 0.11 0.12 -0.03 -2.00 0.70 0.00 0.00 175.22 174.12 1pj4 s GLU 3255N 0.50 0.55 -1.37 0.44 2.56 0.31 -2.02 118.70 119.67 1pj4 s GLU 3255Ca 0.45 -0.06 -0.03 0.00 0.00 0.00 0.00 54.97 55.33 1pj4 s GLU 3255Cb -0.21 -0.61 0.02 0.00 2.00 0.00 0.00 34.13 35.33 1pj4 s GLU 3255CO 0.26 -0.06 0.75 -0.25 -0.56 0.00 0.00 175.26 175.40 1pj4 n ASP 3256N 3.84 -1.97 -4.93 -1.70 8.00 -1.26 -4.04 116.55 114.49 1pj4 n ASP 3256Ca -0.24 -0.82 -0.26 0.00 0.71 0.00 0.00 54.79 54.18 1pj4 n ASP 3256Cb 0.52 -3.95 -0.02 0.00 -0.02 0.00 0.00 41.12 37.65 1pj4 n ASP 3256CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1pj4 s PHE 3257N -3.60 3.49 0.80 1.24 0.40 -1.26 -2.00 117.98 117.05 1pj4 s PHE 3257Ca 0.16 0.44 -0.13 0.00 -0.60 0.00 0.00 56.93 56.80 1pj4 s PHE 3257Cb -0.08 -1.95 0.08 0.00 0.51 0.00 0.00 43.02 41.58 1pj4 s PHE 3257CO 0.82 0.21 1.17 0.20 0.70 0.00 0.00 175.22 178.32 1pj4 s GLY 3258N -3.53 2.04 0.16 4.36 0.00 -1.26 -4.57 107.32 104.51 1pj4 s GLY 3258Ca 0.41 0.71 -0.29 0.00 0.00 0.00 0.00 44.72 45.55 1pj4 s GLY 3258CO 0.32 1.11 1.56 -0.57 0.00 0.00 0.00 173.10 175.52 1pj4 h ASN 3259N -0.95 -1.69 0.48 1.64 -0.73 -1.97 0.67 115.58 113.02 1pj4 h ASN 3259Ca -0.46 0.25 -0.02 0.00 1.87 0.00 0.00 56.30 57.95 1pj4 h ASN 3259Cb 1.28 0.74 -0.01 0.00 0.27 0.00 0.00 38.32 40.60 1pj4 h ASN 3259CO 0.47 -0.35 -0.38 -0.74 -0.37 0.00 0.00 177.43 176.05 1pj4 h HIS 3260N -0.26 -1.05 -0.93 0.67 2.76 -2.02 -3.02 115.15 111.30 1pj4 h HIS 3260Ca 0.14 0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.46 1pj4 h HIS 3260Cb 0.56 0.39 -0.08 0.00 1.55 0.00 0.00 27.41 29.84 1pj4 h HIS 3260CO -0.75 -0.54 0.59 -0.91 -1.30 0.00 0.00 177.93 175.03 1pj4 h ASN 3261N -0.84 0.72 -0.05 3.26 -0.26 -1.90 -2.93 115.58 113.57 1pj4 h ASN 3261Ca -0.06 0.05 0.02 0.00 -0.56 0.00 0.00 56.30 55.75 1pj4 h ASN 3261Cb 0.70 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.85 1pj4 h ASN 3261CO 0.01 0.35 -0.06 0.00 -1.06 0.00 0.00 177.43 176.66 1pj4 h ALA 3262N 1.59 -0.02 -0.06 -0.83 0.00 -0.74 -0.85 119.26 118.35 1pj4 h ALA 3262Ca 0.48 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 1pj4 h ALA 3262Cb 0.72 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1pj4 h ALA 3262CO -0.24 -0.54 -0.02 0.74 0.00 0.00 0.00 179.25 179.20 1pj4 h PHE 3263N -0.09 0.13 0.00 0.00 -1.00 -1.48 -2.24 116.94 112.26 1pj4 h PHE 3263Ca 0.05 -0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.76 1pj4 h PHE 3263Cb 0.15 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1pj4 h PHE 3263CO -0.16 0.46 -0.19 0.07 -1.61 0.00 0.00 178.31 176.88 1pj4 h ARG 3264N -0.24 0.00 0.02 1.51 0.11 -1.48 0.31 114.38 114.62 1pj4 h ARG 3264Ca 0.01 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.87 1pj4 h ARG 3264Cb 0.42 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.50 1pj4 h ARG 3264CO 0.01 0.19 -0.96 0.74 0.10 0.00 0.00 179.97 180.05 1pj4 h PHE 3265N 0.00 0.44 0.60 4.08 0.05 -1.14 -0.75 116.94 120.22 1pj4 h PHE 3265Ca -0.00 -0.26 -0.03 0.00 3.82 0.00 0.00 57.97 61.50 1pj4 h PHE 3265Cb 0.36 -0.04 0.01 0.00 2.00 0.00 0.00 35.95 38.27 1pj4 h PHE 3265CO 0.00 1.09 -0.29 1.25 -0.18 0.00 0.00 178.31 180.19 1pj4 h LEU 3266N 0.15 -0.68 -0.61 1.54 6.46 -0.68 -0.72 115.31 120.77 1pj4 h LEU 3266Ca -0.07 -0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.73 1pj4 h LEU 3266Cb 1.61 0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 41.66 1pj4 h LEU 3266CO 0.16 -0.40 0.31 -0.09 -0.62 0.00 0.00 178.44 177.80 1pj4 h ARG 3267N -0.93 0.57 -0.48 1.25 2.43 -1.01 0.98 114.38 117.18 1pj4 h ARG 3267Ca -0.08 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 1pj4 h ARG 3267Cb 0.66 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1pj4 h ARG 3267CO 0.13 0.38 -0.02 -0.22 -1.51 0.00 0.00 179.97 178.73 1pj4 h LYS 3268N 0.59 0.81 0.00 0.20 3.64 -1.03 -3.36 116.57 117.41 1pj4 h LYS 3268Ca 0.27 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1pj4 h LYS 3268Cb 0.19 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1pj4 h LYS 3268CO -0.19 0.83 -1.67 0.66 -2.27 0.00 0.00 179.45 176.81 1pj4 n TYR 3269N -4.20 0.00 0.22 1.91 4.02 -0.29 -4.62 117.16 114.19 1pj4 n TYR 3269Ca 0.02 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 58.09 1pj4 n TYR 3269Cb 0.32 -0.34 0.81 0.00 -0.02 0.00 0.00 39.34 40.11 1pj4 n TYR 3269CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 1pj4 h ARG 3270N 0.00 0.00 0.00 -0.72 0.11 -0.95 0.15 114.38 112.97 1pj4 h ARG 3270Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1pj4 h ARG 3270Cb 0.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.77 1pj4 h ARG 3270CO 0.00 0.00 -1.06 0.39 0.10 0.00 0.00 179.97 179.40 1pj4 n GLU 3271N -3.39 0.58 -0.02 0.08 -0.58 -1.26 -4.46 120.64 111.59 1pj4 n GLU 3271Ca 0.02 -0.03 0.03 0.00 -0.42 0.00 0.00 57.16 56.77 1pj4 n GLU 3271Cb 0.45 -1.43 -0.09 0.00 -0.57 0.00 0.00 31.44 29.80 1pj4 n GLU 3271CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1pj4 n LYS 3272N -1.57 0.80 -4.46 3.49 5.02 -0.23 -5.02 118.16 116.19 1pj4 n LYS 3272Ca 0.03 -0.09 -0.23 0.00 -2.02 0.00 0.00 58.31 56.00 1pj4 n LYS 3272Cb 0.34 -1.29 -0.09 0.00 -0.02 0.00 0.00 35.03 33.97 1pj4 n LYS 3272CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1pj4 s TYR 3273N -2.70 1.77 -0.82 2.13 1.51 0.35 -5.07 117.35 114.51 1pj4 s TYR 3273Ca -0.05 -1.27 -0.15 0.00 -1.01 0.00 0.00 57.07 54.59 1pj4 s TYR 3273Cb 0.07 -1.09 0.19 0.00 -0.11 0.00 0.00 41.96 41.02 1pj4 s TYR 3273CO 0.49 -0.33 0.81 0.00 -1.11 0.00 0.00 175.55 175.41 1pj4 s THR 3275N 0.76 0.13 0.13 0.00 -1.32 -1.26 -1.44 115.64 112.64 1pj4 s THR 3275Ca 0.19 -1.06 -0.14 0.00 -1.21 0.00 0.00 61.69 59.47 1pj4 s THR 3275Cb -0.11 -0.97 0.02 0.00 -1.51 0.00 0.00 72.50 69.93 1pj4 s THR 3275CO -0.08 -0.58 0.36 0.72 -2.21 0.00 0.00 174.62 172.83 1pj4 s PHE 3276N -2.77 -0.06 -0.24 9.09 -0.12 -1.14 -4.57 117.98 118.17 1pj4 s PHE 3276Ca -0.04 -0.29 -0.05 0.00 -0.05 0.00 0.00 56.93 56.50 1pj4 s PHE 3276Cb -0.00 0.17 -0.01 0.00 -0.63 0.00 0.00 43.02 42.55 1pj4 s PHE 3276CO -0.05 -0.69 -0.00 1.21 -0.05 0.00 0.00 175.22 175.63 1pj4 s ASN 3277N -2.84 4.60 0.41 1.98 3.84 -1.26 -1.45 114.94 120.22 1pj4 s ASN 3277Ca 0.05 -0.43 0.12 0.00 0.21 0.00 0.00 52.86 52.81 1pj4 s ASN 3277Cb 0.02 -1.79 0.87 0.00 -0.55 0.00 0.00 41.25 39.80 1pj4 s ASN 3277CO -0.10 -0.06 1.95 -0.78 -2.79 0.00 0.00 177.10 175.32 1pj4 h ASP 3278N 8.15 0.12 1.56 -4.21 3.58 -1.78 0.13 116.42 123.98 1pj4 h ASP 3278Ca -0.39 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1pj4 h ASP 3278Cb 1.15 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1pj4 h ASP 3278CO 0.60 0.30 -0.27 0.44 -2.88 0.00 0.00 179.24 177.42 1pj4 h ASP 3279N 0.13 0.00 0.00 2.28 3.32 -1.95 -0.99 116.42 119.21 1pj4 h ASP 3279Ca 0.03 -0.02 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 1pj4 h ASP 3279Cb 0.36 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.85 1pj4 h ASP 3279CO 0.02 0.01 -2.34 -0.38 -1.72 0.00 0.00 179.24 174.83 1pj4 n ILE 3280N -2.73 1.53 -0.04 0.35 5.41 -1.07 -3.31 119.36 119.50 1pj4 n ILE 3280Ca 0.03 -0.32 -0.20 0.00 1.00 0.00 0.00 62.75 63.27 1pj4 n ILE 3280Cb 0.50 -1.95 -0.13 0.00 -0.71 0.00 0.00 39.64 37.35 1pj4 n ILE 3280CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pj4 n GLN 3281N -4.28 0.72 -0.01 0.38 6.02 0.42 -3.35 117.38 117.29 1pj4 n GLN 3281Ca -0.49 0.22 -0.12 0.00 -0.01 0.00 0.00 57.00 56.60 1pj4 n GLN 3281Cb 0.84 -1.64 -0.08 0.00 1.02 0.00 0.00 30.24 30.38 1pj4 n GLN 3281CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1pj4 h GLY 3282N 1.41 0.09 1.58 1.08 0.00 -1.39 -1.78 103.07 104.05 1pj4 h GLY 3282Ca -0.48 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 46.74 1pj4 h GLY 3282CO 0.03 0.05 -0.06 -0.84 0.00 0.00 0.00 176.54 175.72 1pj4 h THR 3283N -0.15 1.21 -0.39 4.70 2.02 -1.42 -2.50 112.91 116.38 1pj4 h THR 3283Ca 0.02 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 1pj4 h THR 3283Cb 0.25 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1pj4 h THR 3283CO 0.00 0.30 0.23 0.00 0.37 0.00 0.00 175.52 176.42 1pj4 h ALA 3284N 1.46 0.50 -0.55 6.16 0.00 -1.51 -1.88 119.26 123.44 1pj4 h ALA 3284Ca 0.10 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1pj4 h ALA 3284Cb 0.40 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1pj4 h ALA 3284CO 0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.24 1pj4 h ALA 3285N 1.10 0.92 0.00 0.00 0.00 -0.99 -1.71 119.26 118.58 1pj4 h ALA 3285Ca 0.14 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1pj4 h ALA 3285Cb 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1pj4 h ALA 3285CO -0.03 0.64 -0.71 -0.24 0.00 0.00 0.00 179.25 178.91 1pj4 h VAL 3286N 0.87 1.47 -0.05 0.00 3.04 -1.34 -1.94 116.25 118.31 1pj4 h VAL 3286Ca 0.16 -2.46 -0.01 0.00 -1.01 0.00 0.00 66.70 63.37 1pj4 h VAL 3286Cb 0.55 2.34 -0.00 0.00 -2.01 0.00 0.00 31.29 32.17 1pj4 h VAL 3286CO 0.03 0.70 -0.01 0.00 -1.01 0.00 0.00 177.57 177.28 1pj4 h ALA 3287N 1.29 0.06 -0.76 3.17 0.00 -1.21 -2.44 119.26 119.36 1pj4 h ALA 3287Ca -0.01 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1pj4 h ALA 3287Cb 1.28 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1pj4 h ALA 3287CO 0.09 -0.24 0.43 1.25 0.00 0.00 0.00 179.25 180.78 1pj4 h LEU 3288N -0.25 0.61 -1.29 0.00 5.85 -1.24 0.00 115.31 119.00 1pj4 h LEU 3288Ca 0.01 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1pj4 h LEU 3288Cb 0.38 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1pj4 h LEU 3288CO 0.00 0.37 0.49 0.00 -0.34 0.00 0.00 178.44 178.96 1pj4 h ALA 3289N 1.42 1.55 -0.19 1.25 0.00 -1.23 -0.30 119.26 121.76 1pj4 h ALA 3289Ca 0.36 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1pj4 h ALA 3289Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1pj4 h ALA 3289CO -0.23 0.38 -0.02 0.78 0.00 0.00 0.00 179.25 180.17 1pj4 h GLY 3290N 0.93 0.37 1.27 0.00 0.00 -0.54 -2.31 103.07 102.78 1pj4 h GLY 3290Ca 0.29 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1pj4 h GLY 3290CO -0.08 0.26 0.28 1.41 0.00 0.00 0.00 176.54 178.41 1pj4 h LEU 3291N 0.08 0.86 -0.69 3.11 4.07 -0.68 -0.34 115.31 121.71 1pj4 h LEU 3291Ca 0.05 -0.11 -0.08 0.00 0.08 0.00 0.00 57.88 57.83 1pj4 h LEU 3291Cb 0.44 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.93 1pj4 h LEU 3291CO 0.01 0.75 0.13 -0.07 -1.08 0.00 0.00 178.44 178.19 1pj4 h LEU 3292N 0.93 1.09 -0.31 1.67 4.07 -1.01 0.60 115.31 122.35 1pj4 h LEU 3292Ca 0.22 -0.25 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 1pj4 h LEU 3292Cb 0.15 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 1pj4 h LEU 3292CO -0.02 1.06 0.02 0.00 -1.08 0.00 0.00 178.44 178.42 1pj4 h ALA 3293N 1.07 0.41 -0.44 1.53 0.00 -0.93 -2.38 119.26 118.52 1pj4 h ALA 3293Ca 0.21 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1pj4 h ALA 3293Cb 0.42 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1pj4 h ALA 3293CO 0.01 0.14 0.27 0.00 0.00 0.00 0.00 179.25 179.66 1pj4 h ALA 3294N 0.86 0.55 -0.23 0.00 0.00 -0.76 -1.32 119.26 118.35 1pj4 h ALA 3294Ca 0.09 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1pj4 h ALA 3294Cb 0.40 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1pj4 h ALA 3294CO 0.01 -0.05 0.17 0.37 0.00 0.00 0.00 179.25 179.75 1pj4 h GLN 3295N 0.54 0.02 0.00 0.00 5.75 -0.72 0.03 115.11 120.74 1pj4 h GLN 3295Ca 0.17 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 1pj4 h GLN 3295Cb -0.01 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.53 1pj4 h GLN 3295CO -0.07 0.02 -0.04 0.87 -2.65 0.00 0.00 178.83 176.95 1pj4 h LYS 3296N 0.03 0.00 0.00 1.69 1.57 -0.71 0.33 116.57 119.48 1pj4 h LYS 3296Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1pj4 h LYS 3296Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1pj4 h LYS 3296CO -0.00 0.04 -1.10 1.33 -0.57 0.00 0.00 179.45 179.15 1pj4 n VAL 3297N -3.27 0.00 -0.08 0.50 0.24 -0.11 -4.63 118.33 110.98 1pj4 n VAL 3297Ca -0.01 -0.25 -0.10 0.00 -2.04 0.00 0.00 64.34 61.94 1pj4 n VAL 3297Cb 0.22 0.61 -0.11 0.00 -1.47 0.00 0.00 33.84 33.09 1pj4 n VAL 3297CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1pj4 n ILE 3298N -1.63 1.09 -3.76 1.34 5.41 -0.57 -5.03 119.36 116.20 1pj4 n ILE 3298Ca 0.00 -0.58 -0.28 0.00 1.00 0.00 0.00 62.75 62.89 1pj4 n ILE 3298Cb 0.28 -0.81 0.02 0.00 -0.71 0.00 0.00 39.64 38.42 1pj4 n ILE 3298CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1pj4 n SER 3299N -2.76 -3.32 -4.74 4.38 7.64 0.11 -4.93 113.62 110.00 1pj4 n SER 3299Ca -0.29 -0.99 -0.40 0.00 1.01 0.00 0.00 58.87 58.20 1pj4 n SER 3299Cb 0.96 -3.36 -0.05 0.00 -1.01 0.00 0.00 64.21 60.74 1pj4 n SER 3299CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1pj4 s LYS 3300N -6.15 4.53 0.02 1.43 -0.14 -1.26 -4.99 119.74 113.18 1pj4 s LYS 3300Ca 0.28 1.13 -0.32 0.00 -1.36 0.00 0.00 55.97 55.70 1pj4 s LYS 3300Cb -0.10 -3.38 -0.11 0.00 -1.68 0.00 0.00 37.83 32.57 1pj4 s LYS 3300CO 0.86 0.24 1.89 -2.30 -0.76 0.00 0.00 175.35 175.29 1pj4 n PRO 3301N 2.93 2.56 -0.60 -1.68 -0.02 -1.26 -4.80 135.00 132.14 1pj4 n PRO 3301Ca -0.01 0.94 0.47 0.00 -2.02 0.00 0.00 63.50 62.88 1pj4 n PRO 3301Cb 0.50 -2.83 0.72 0.00 -0.02 0.00 0.00 33.50 31.87 1pj4 n PRO 3301CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1pj4 n ILE 3302N 5.11 0.00 0.19 4.25 0.13 -1.26 0.53 119.36 128.31 1pj4 n ILE 3302Ca 0.20 1.40 0.07 0.00 -1.10 0.00 0.00 62.75 63.33 1pj4 n ILE 3302Cb 0.35 -2.36 0.20 0.00 -0.84 0.00 0.00 39.64 36.98 1pj4 n ILE 3302CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 1pj4 h SER 3303N 0.00 0.00 -0.44 9.51 4.64 -2.02 -3.23 113.55 122.01 1pj4 h SER 3303Ca 0.83 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.15 1pj4 h SER 3303Cb 3.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 65.60 1pj4 h SER 3303CO -0.01 0.29 0.00 -0.62 -0.87 0.00 0.00 176.83 175.62 1pj4 n GLU 3304N -3.23 2.39 -2.70 4.77 1.02 0.19 -4.91 120.64 118.16 1pj4 n GLU 3304Ca 0.02 -1.75 -0.42 0.00 -0.02 0.00 0.00 57.16 55.00 1pj4 n GLU 3304Cb 0.59 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.48 1pj4 n GLU 3304CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1pj4 s HIS 3305N -1.54 3.70 -0.17 -0.32 3.76 -1.22 -4.85 115.29 114.66 1pj4 s HIS 3305Ca 0.32 1.71 -0.04 0.00 -0.15 0.00 0.00 55.06 56.90 1pj4 s HIS 3305Cb 0.18 -3.11 0.06 0.00 1.11 0.00 0.00 32.58 30.82 1pj4 s HIS 3305CO 0.19 -0.00 0.08 0.21 -0.85 0.00 0.00 174.74 174.36 1pj4 s LYS 3306N 0.67 0.17 -0.20 1.40 2.47 -1.26 -4.76 119.74 118.22 1pj4 s LYS 3306Ca 0.51 -0.12 -0.06 0.00 -1.56 0.00 0.00 55.97 54.74 1pj4 s LYS 3306Cb -0.22 -1.80 -0.03 0.00 -1.46 0.00 0.00 37.83 34.32 1pj4 s LYS 3306CO 0.29 -0.64 0.02 0.42 0.16 0.00 0.00 175.35 175.60 1pj4 s ILE 3307N 2.09 4.21 -0.18 5.43 1.01 0.23 -0.12 121.20 133.87 1pj4 s ILE 3307Ca 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.43 1pj4 s ILE 3307Cb -0.16 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1pj4 s ILE 3307CO -0.08 0.42 -0.13 -0.22 0.00 0.00 0.00 174.94 174.93 1pj4 s LEU 3308N 0.90 2.52 -0.08 2.97 2.96 -0.45 -0.17 118.68 127.33 1pj4 s LEU 3308Ca 0.02 -0.48 -0.12 0.00 -0.22 0.00 0.00 54.13 53.33 1pj4 s LEU 3308Cb -0.14 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.91 1pj4 s LEU 3308CO 0.02 0.04 0.29 -0.36 -1.32 0.00 0.00 176.35 175.02 1pj4 s PHE 3309N 1.08 3.63 -0.54 5.38 0.08 0.30 -1.83 117.98 126.08 1pj4 s PHE 3309Ca -0.00 0.74 -0.16 0.00 0.12 0.00 0.00 56.93 57.63 1pj4 s PHE 3309Cb -0.14 -2.17 0.13 0.00 -0.57 0.00 0.00 43.02 40.26 1pj4 s PHE 3309CO -0.04 0.59 0.51 -1.17 -0.10 0.00 0.00 175.22 175.01 1pj4 s LEU 3310N -0.74 6.18 0.00 -0.37 2.96 -0.19 -0.90 118.68 125.61 1pj4 s LEU 3310Ca 0.19 -1.79 0.00 0.00 -0.22 0.00 0.00 54.13 52.31 1pj4 s LEU 3310Cb -0.14 -2.21 0.00 0.00 0.50 0.00 0.00 46.19 44.34 1pj4 s LEU 3310CO 0.08 -0.86 0.00 0.61 -1.32 0.00 0.00 176.35 174.86 1pj4 n GLY 3311N 5.24 2.84 2.70 7.98 0.00 0.24 -1.77 105.19 122.43 1pj4 n GLY 3311Ca -0.14 -1.89 -0.06 0.00 0.00 0.00 0.00 46.02 43.93 1pj4 n GLY 3311CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj4 n ALA 3312N 0.26 2.77 -2.68 4.61 0.00 -1.26 -4.28 120.51 119.93 1pj4 n ALA 3312Ca 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 53.44 50.92 1pj4 n ALA 3312Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1pj4 n ALA 3312CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj4 n GLY 3313N -0.39 4.16 0.43 0.00 0.00 -1.26 -4.70 105.19 103.42 1pj4 n GLY 3313Ca 0.04 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 1pj4 n GLY 3313CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pj4 h GLU 3314N 0.00 -0.31 -0.09 1.61 5.08 -1.91 -0.09 114.58 118.87 1pj4 h GLU 3314Ca 0.00 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1pj4 h GLU 3314Cb 0.00 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1pj4 h GLU 3314CO 0.00 -0.21 -0.04 0.00 -1.00 0.00 0.00 179.01 177.76 1pj4 h ALA 3315N 0.21 0.13 -0.09 3.43 0.00 -1.86 -1.97 119.26 119.11 1pj4 h ALA 3315Ca 0.11 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1pj4 h ALA 3315Cb 0.58 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1pj4 h ALA 3315CO -0.64 -0.10 -0.10 0.00 0.00 0.00 0.00 179.25 178.41 1pj4 h ALA 3316N 0.64 -0.03 -0.51 0.00 0.00 -1.82 0.21 119.26 117.75 1pj4 h ALA 3316Ca 0.02 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1pj4 h ALA 3316Cb 0.49 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1pj4 h ALA 3316CO 0.01 -0.56 -0.05 -0.07 0.00 0.00 0.00 179.25 178.58 1pj4 h LEU 3317N -0.12 0.88 -0.21 0.00 3.38 -1.09 0.90 115.31 119.05 1pj4 h LEU 3317Ca 0.07 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1pj4 h LEU 3317Cb 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1pj4 h LEU 3317CO -0.16 0.97 0.03 1.23 0.09 0.00 0.00 178.44 180.60 1pj4 h GLY 3318N 0.98 0.38 0.84 0.83 0.00 -0.97 -1.85 103.07 103.28 1pj4 h GLY 3318Ca 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1pj4 h GLY 3318CO 0.03 0.24 0.04 -2.22 0.00 0.00 0.00 176.54 174.63 1pj4 h ILE 3319N 0.15 1.18 -0.51 2.60 2.04 -0.48 -2.62 117.51 119.87 1pj4 h ILE 3319Ca 0.06 -0.55 0.08 0.00 1.00 0.00 0.00 64.86 65.46 1pj4 h ILE 3319Cb 0.33 1.32 -0.07 0.00 -0.74 0.00 0.00 36.82 37.66 1pj4 h ILE 3319CO 0.00 0.16 0.13 0.00 0.00 0.00 0.00 178.15 178.45 1pj4 h ALA 3320N 0.85 0.60 -0.06 1.87 0.00 -0.79 0.92 119.26 122.65 1pj4 h ALA 3320Ca 0.04 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1pj4 h ALA 3320Cb 0.22 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1pj4 h ALA 3320CO -0.00 -0.28 -0.14 -0.91 0.00 0.00 0.00 179.25 177.92 1pj4 h ASN 3321N 0.28 0.08 0.52 0.00 2.35 -1.29 -1.50 115.58 116.02 1pj4 h ASN 3321Ca 0.25 -0.01 -0.29 0.00 -0.55 0.00 0.00 56.30 55.70 1pj4 h ASN 3321Cb 0.33 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.69 1pj4 h ASN 3321CO -0.31 0.24 -1.35 0.25 -1.65 0.00 0.00 177.43 174.60 1pj4 h LEU 3322N 0.09 0.52 -0.51 1.61 5.85 -0.87 -3.26 115.31 118.74 1pj4 h LEU 3322Ca 0.02 -0.58 -0.02 0.00 0.84 0.00 0.00 57.88 58.14 1pj4 h LEU 3322Cb 0.30 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1pj4 h LEU 3322CO 0.02 1.46 0.24 0.40 -0.34 0.00 0.00 178.44 180.22 1pj4 h ILE 3323N 0.09 1.20 0.00 4.05 2.04 -0.58 -2.27 117.51 122.04 1pj4 h ILE 3323Ca -0.18 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1pj4 h ILE 3323Cb 2.03 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 1pj4 h ILE 3323CO 0.21 0.22 0.00 0.52 0.00 0.00 0.00 178.15 179.10 1pj4 n VAL 3324N -4.60 0.00 -0.65 1.67 0.31 -0.59 -4.65 118.33 109.82 1pj4 n VAL 3324Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1pj4 n VAL 3324Cb 0.12 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 1pj4 n VAL 3324CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1pj4 n SER 3326N 0.89 -0.12 0.00 4.52 2.88 -0.86 -4.64 113.62 116.29 1pj4 n SER 3326Ca 0.00 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1pj4 n SER 3326Cb 0.00 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 1pj4 n SER 3326CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1pj4 n VAL 3328N -0.54 0.00 1.77 2.46 0.31 -1.25 -2.86 118.33 118.21 1pj4 n VAL 3328Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 1pj4 n VAL 3328Cb 0.06 0.00 0.19 0.00 -0.91 0.00 0.00 33.84 33.18 1pj4 n VAL 3328CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1pj4 n GLU 3329N 0.00 0.88 -0.39 5.55 0.28 -1.26 -2.75 120.64 122.95 1pj4 n GLU 3329Ca 0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.07 1pj4 n GLU 3329Cb 0.00 -1.11 0.13 0.00 1.43 0.00 0.00 31.44 31.89 1pj4 n GLU 3329CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1pj4 n ASN 3330N -0.61 1.74 0.00 -1.84 5.03 -1.14 -5.04 115.26 113.40 1pj4 n ASN 3330Ca 0.05 -3.08 0.00 0.00 0.87 0.00 0.00 54.58 52.42 1pj4 n ASN 3330Cb 0.02 -0.41 0.00 0.00 -1.02 0.00 0.00 39.78 38.37 1pj4 n ASN 3330CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pj4 n GLY 3331N -1.00 2.32 3.26 7.41 0.00 -1.11 -5.09 105.19 110.97 1pj4 n GLY 3331Ca 0.14 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 1pj4 n GLY 3331CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pj4 n LEU 3332N 0.00 -2.83 -4.90 0.99 4.32 -1.26 -4.89 117.00 108.43 1pj4 n LEU 3332Ca 0.00 0.54 -0.28 0.00 -0.02 0.00 0.00 56.01 56.25 1pj4 n LEU 3332Cb 0.00 -0.94 -0.01 0.00 -1.62 0.00 0.00 43.42 40.85 1pj4 n LEU 3332CO 0.00 -4.56 0.41 -0.55 -1.22 0.00 0.00 177.39 171.47 1pj4 s SER 3333N -1.13 6.35 0.25 -1.43 0.15 -1.26 -3.96 113.70 112.68 1pj4 s SER 3333Ca 0.56 0.95 -0.03 0.00 0.70 0.00 0.00 55.95 58.12 1pj4 s SER 3333Cb -0.39 -2.25 0.44 0.00 -1.71 0.00 0.00 66.02 62.11 1pj4 s SER 3333CO 0.67 -0.48 1.80 -0.08 1.20 0.00 0.00 173.24 176.35 1pj4 h GLU 3334N 0.67 0.73 -0.30 5.44 4.81 -1.93 -0.53 114.58 123.47 1pj4 h GLU 3334Ca -0.47 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 1pj4 h GLU 3334Cb 1.20 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1pj4 h GLU 3334CO 0.63 0.48 0.02 0.37 -0.73 0.00 0.00 179.01 179.78 1pj4 h GLN 3335N 0.75 0.52 -0.10 1.92 4.15 -1.99 -1.68 115.11 118.68 1pj4 h GLN 3335Ca 0.42 -0.16 -0.08 0.00 0.77 0.00 0.00 58.65 59.60 1pj4 h GLN 3335Cb 0.44 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1pj4 h GLN 3335CO -0.28 0.65 -0.30 0.93 -1.93 0.00 0.00 178.83 177.90 1pj4 h GLU 3336N 0.32 0.18 -0.16 1.69 5.08 -1.82 -2.81 114.58 117.06 1pj4 h GLU 3336Ca 0.09 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1pj4 h GLU 3336Cb 0.40 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1pj4 h GLU 3336CO 0.01 0.47 -0.26 0.00 -1.00 0.00 0.00 179.01 178.23 1pj4 h ALA 3337N 1.54 0.25 0.00 3.43 0.00 -0.98 -3.08 119.26 120.41 1pj4 h ALA 3337Ca 0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1pj4 h ALA 3337Cb 0.62 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1pj4 h ALA 3337CO 0.04 0.23 -0.03 1.96 0.00 0.00 0.00 179.25 181.45 1pj4 h GLN 3338N 0.09 0.00 0.00 0.00 4.20 -1.16 -1.45 115.11 116.78 1pj4 h GLN 3338Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1pj4 h GLN 3338Cb 0.83 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1pj4 h GLN 3338CO 0.06 0.03 0.00 0.87 -0.67 0.00 0.00 178.83 179.12 1pj4 h LYS 3339N 0.00 0.00 -0.02 1.46 1.79 -1.41 -2.89 116.57 115.50 1pj4 h LYS 3339Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1pj4 h LYS 3339Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1pj4 h LYS 3339CO 0.00 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.00 1pj4 n LYS 3340N -2.43 1.65 -4.31 3.15 5.02 -0.55 -4.83 118.16 115.87 1pj4 n LYS 3340Ca 0.04 -0.95 -0.34 0.00 -2.02 0.00 0.00 58.31 55.04 1pj4 n LYS 3340Cb 0.35 -1.48 -0.15 0.00 -0.02 0.00 0.00 35.03 33.74 1pj4 n LYS 3340CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pj4 s ILE 3341N -1.99 2.75 0.00 -0.18 1.01 -1.09 -0.60 121.20 121.10 1pj4 s ILE 3341Ca 0.38 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.30 1pj4 s ILE 3341Cb 0.21 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.49 1pj4 s ILE 3341CO 0.33 0.50 0.00 0.79 0.00 0.00 0.00 174.94 176.56 1pj4 n TRP 3342N 4.32 -0.34 -3.15 3.97 7.02 0.76 -4.80 117.44 125.22 1pj4 n TRP 3342Ca -0.19 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.35 1pj4 n TRP 3342Cb 0.51 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.38 1pj4 n TRP 3342CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 1pj4 s PHE 3344N -0.22 -0.07 0.00 -5.99 5.36 -0.08 -0.54 117.98 116.44 1pj4 s PHE 3344Ca 0.00 0.07 0.00 0.00 -0.96 0.00 0.00 56.93 56.04 1pj4 s PHE 3344Cb 0.00 0.02 0.00 0.00 -0.34 0.00 0.00 43.02 42.70 1pj4 s PHE 3344CO 0.00 -0.04 0.00 -0.40 -1.46 0.00 0.00 175.22 173.32 1pj4 n ASP 3345N 5.39 0.46 0.21 6.13 5.68 -0.90 0.81 116.55 134.32 1pj4 n ASP 3345Ca -0.09 -0.20 0.14 0.00 -0.50 0.00 0.00 54.79 54.14 1pj4 n ASP 3345Cb 0.55 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 41.27 1pj4 n ASP 3345CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1pj4 h LYS 3346N 0.00 0.00 -0.01 0.11 2.10 -1.99 -1.77 116.57 115.01 1pj4 h LYS 3346Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1pj4 h LYS 3346Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1pj4 h LYS 3346CO 0.00 0.00 -0.47 0.66 -2.00 0.00 0.00 179.45 177.64 1pj4 n TYR 3347N -2.50 0.00 0.00 0.07 0.53 -1.26 -5.10 117.16 108.90 1pj4 n TYR 3347Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.87 1pj4 n TYR 3347Cb 0.08 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.39 1pj4 n TYR 3347CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1pj4 n GLY 3348N 1.22 0.37 3.76 2.72 0.00 -0.67 -5.01 105.19 107.58 1pj4 n GLY 3348Ca 0.05 -2.31 -0.41 0.00 0.00 0.00 0.00 46.02 43.35 1pj4 n GLY 3348CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1pj4 n LEU 3349N 0.00 4.55 -4.56 0.99 7.94 -1.26 -2.12 117.00 122.54 1pj4 n LEU 3349Ca 0.00 1.19 -0.41 0.00 -1.11 0.00 0.00 56.01 55.67 1pj4 n LEU 3349Cb 0.00 -1.60 -0.03 0.00 0.53 0.00 0.00 43.42 42.32 1pj4 n LEU 3349CO 0.00 0.15 1.15 -0.76 -1.11 0.00 0.00 177.39 176.82 1pj4 s LEU 3350N -1.23 3.22 0.13 -1.96 1.43 -1.26 -4.93 118.68 114.08 1pj4 s LEU 3350Ca 0.59 -0.33 0.08 0.00 -1.03 0.00 0.00 54.13 53.44 1pj4 s LEU 3350Cb -0.49 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 1pj4 s LEU 3350CO 0.56 -1.76 -0.20 0.68 0.23 0.00 0.00 176.35 175.86 1pj4 s VAL 3351N 5.57 1.78 0.24 -1.59 -7.23 -1.26 -3.33 120.40 114.58 1pj4 s VAL 3351Ca 0.37 -1.70 -0.31 0.00 -1.81 0.00 0.00 61.98 58.53 1pj4 s VAL 3351Cb -0.08 -1.69 -0.13 0.00 0.56 0.00 0.00 36.38 35.05 1pj4 s VAL 3351CO 0.17 -0.15 1.50 0.29 -0.31 0.00 0.00 175.10 176.60 1pj4 n LYS 3352N 0.78 2.27 -1.04 4.82 5.02 0.27 -2.56 118.16 127.72 1pj4 n LYS 3352Ca -0.17 0.81 -0.01 0.00 -2.02 0.00 0.00 58.31 56.92 1pj4 n LYS 3352Cb 0.55 -2.53 -0.01 0.00 -0.02 0.00 0.00 35.03 33.03 1pj4 n LYS 3352CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pj4 n GLY 3353N 2.41 0.51 3.79 0.72 0.00 -1.26 -4.69 105.19 106.66 1pj4 n GLY 3353Ca 0.12 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 1pj4 n GLY 3353CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pj4 s ARG 3354N -1.16 2.46 0.20 1.61 1.70 -1.06 -4.95 118.95 117.75 1pj4 s ARG 3354Ca 0.00 0.96 -0.04 0.00 -0.47 0.00 0.00 55.73 56.18 1pj4 s ARG 3354Cb 0.00 -1.94 0.15 0.00 -0.57 0.00 0.00 34.95 32.59 1pj4 s ARG 3354CO 0.00 -1.44 1.56 -0.22 -1.08 0.00 0.00 175.30 174.12 1pj4 h LYS 3355N -0.97 0.66 -6.74 3.89 1.63 -1.96 -3.43 116.57 109.64 1pj4 h LYS 3355Ca -0.45 -0.34 -0.52 0.00 -0.85 0.00 0.00 60.65 58.50 1pj4 h LYS 3355Cb 1.23 0.01 0.03 0.00 -0.60 0.00 0.00 32.23 32.90 1pj4 h LYS 3355CO 0.55 0.95 0.57 0.00 -3.45 0.00 0.00 179.45 178.07 1pj4 s ALA 3356N -4.27 3.46 1.01 5.00 0.00 -1.26 -4.98 121.76 120.72 1pj4 s ALA 3356Ca -0.08 1.03 -0.15 0.00 0.00 0.00 0.00 51.96 52.76 1pj4 s ALA 3356Cb 0.12 -3.42 0.06 0.00 0.00 0.00 0.00 23.12 19.88 1pj4 s ALA 3356CO 0.84 -0.40 0.26 1.63 0.00 0.00 0.00 175.76 178.09 1pj4 n LYS 3357N 1.88 -0.75 -3.45 0.00 5.02 -1.26 -5.04 118.16 114.57 1pj4 n LYS 3357Ca 0.02 -0.19 -0.06 0.00 -2.02 0.00 0.00 58.31 56.07 1pj4 n LYS 3357Cb 0.44 -1.80 -0.07 0.00 -0.02 0.00 0.00 35.03 33.58 1pj4 n LYS 3357CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pj4 s ILE 3358N -2.34 -0.71 0.88 -0.18 1.01 -1.26 -5.08 121.20 113.52 1pj4 s ILE 3358Ca 0.56 0.03 -0.11 0.00 0.00 0.00 0.00 60.65 61.13 1pj4 s ILE 3358Cb -0.18 -0.81 0.18 0.00 0.01 0.00 0.00 42.46 41.66 1pj4 s ILE 3358CO 0.67 -0.03 1.22 1.51 0.00 0.00 0.00 174.94 178.31 1pj4 s ASP 3359N 2.65 3.53 0.33 3.58 3.84 -1.26 -4.84 116.67 124.50 1pj4 s ASP 3359Ca 0.08 0.07 0.06 0.00 -0.00 0.00 0.00 52.55 52.75 1pj4 s ASP 3359Cb -0.14 -0.22 0.72 0.00 -1.38 0.00 0.00 42.92 41.90 1pj4 s ASP 3359CO -0.16 -2.45 1.88 0.77 -0.00 0.00 0.00 175.17 175.21 1pj4 h SER 3360N -1.28 0.74 0.68 2.11 4.64 -2.02 -1.86 113.55 116.57 1pj4 h SER 3360Ca -0.42 0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 60.80 1pj4 h SER 3360Cb 1.25 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 1pj4 h SER 3360CO 0.39 0.41 -0.64 1.88 -0.87 0.00 0.00 176.83 177.99 1pj4 h TYR 3361N 0.80 0.00 0.00 4.77 -1.99 -2.02 -3.21 116.97 115.32 1pj4 h TYR 3361Ca 0.44 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.14 1pj4 h TYR 3361Cb 0.56 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.28 1pj4 h TYR 3361CO -0.00 0.64 -0.63 1.96 -0.00 0.00 0.00 178.16 180.13 1pj4 h GLN 3362N 0.00 0.00 -0.61 4.88 4.20 -1.78 -3.39 115.11 118.42 1pj4 h GLN 3362Ca -0.01 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.82 1pj4 h GLN 3362Cb 1.16 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.82 1pj4 h GLN 3362CO 0.08 0.07 -0.26 0.93 -0.67 0.00 0.00 178.83 178.98 1pj4 h GLU 3363N 0.00 -0.10 0.00 1.46 4.39 -1.36 -1.08 114.58 117.89 1pj4 h GLU 3363Ca -0.02 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1pj4 h GLU 3363Cb 1.09 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1pj4 h GLU 3363CO 0.01 -0.07 0.11 -1.35 -1.16 0.00 0.00 179.01 176.56 1pj4 h PRO 3364N -0.10 0.00 -0.11 2.33 0.11 -1.78 -1.47 132.00 130.98 1pj4 h PRO 3364Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 1pj4 h PRO 3364Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1pj4 h PRO 3364CO -0.67 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.31 1pj4 n PHE 3365N -2.66 0.22 -3.37 0.65 3.01 -0.45 -4.70 117.46 110.16 1pj4 n PHE 3365Ca -0.02 -0.65 -0.45 0.00 1.01 0.00 0.00 57.45 57.34 1pj4 n PHE 3365Cb 0.16 -0.10 -0.06 0.00 -0.01 0.00 0.00 39.48 39.47 1pj4 n PHE 3365CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1pj4 s THR 3366N -1.62 5.07 0.58 4.37 2.01 -0.55 -4.70 115.64 120.80 1pj4 s THR 3366Ca 0.17 -1.39 0.05 0.00 0.31 0.00 0.00 61.69 60.83 1pj4 s THR 3366Cb 0.13 -4.19 0.07 0.00 0.01 0.00 0.00 72.50 68.52 1pj4 s THR 3366CO 0.05 -0.76 0.80 -1.00 -0.69 0.00 0.00 174.62 173.02 1pj4 s HIS 3367N 1.58 2.01 0.18 4.92 3.76 -1.21 -4.51 115.29 122.02 1pj4 s HIS 3367Ca 0.04 -0.41 -0.30 0.00 -0.15 0.00 0.00 55.06 54.24 1pj4 s HIS 3367Cb -0.28 -2.55 -0.08 0.00 1.11 0.00 0.00 32.58 30.78 1pj4 s HIS 3367CO 0.04 -1.10 1.24 -1.12 -0.85 0.00 0.00 174.74 172.95 1pj4 s SER 3368N -4.58 7.01 0.08 1.40 0.01 -1.26 -0.56 113.70 115.80 1pj4 s SER 3368Ca 0.61 2.28 -0.37 0.00 1.31 0.00 0.00 55.95 59.78 1pj4 s SER 3368Cb -0.07 -2.60 -0.18 0.00 0.21 0.00 0.00 66.02 63.37 1pj4 s SER 3368CO 0.39 -0.45 1.14 0.00 0.41 0.00 0.00 173.24 174.74 1pj4 n ALA 3369N 2.73 -2.12 -1.03 1.44 0.00 -1.26 -4.88 120.51 115.39 1pj4 n ALA 3369Ca 0.06 0.53 -0.02 0.00 0.00 0.00 0.00 53.44 54.01 1pj4 n ALA 3369Cb 0.44 -1.91 0.03 0.00 0.00 0.00 0.00 19.45 18.01 1pj4 n ALA 3369CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1pj4 n PRO 3370N 1.87 -0.96 -0.26 0.00 -0.02 -1.26 -4.92 135.00 129.45 1pj4 n PRO 3370Ca 0.18 -0.21 0.07 0.00 -2.02 0.00 0.00 63.50 61.52 1pj4 n PRO 3370Cb 0.16 -0.18 0.19 0.00 -0.02 0.00 0.00 33.50 33.65 1pj4 n PRO 3370CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1pj4 h GLU 3371N 0.00 0.16 -4.12 -0.52 5.08 -1.96 -3.41 114.58 109.81 1pj4 h GLU 3371Ca -0.05 -0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.07 1pj4 h GLU 3371Cb 0.14 -0.04 -0.24 0.00 0.50 0.00 0.00 28.75 29.12 1pj4 h GLU 3371CO 0.03 0.11 -0.72 -1.54 -1.00 0.00 0.00 179.01 175.89 1pj4 s SER 3372N -5.18 0.40 -0.27 1.42 1.04 -1.26 -5.13 113.70 104.71 1pj4 s SER 3372Ca -0.13 -0.33 -0.23 0.00 0.48 0.00 0.00 55.95 55.75 1pj4 s SER 3372Cb 0.23 0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 1pj4 s SER 3372CO 0.76 -0.15 0.75 -0.63 0.98 0.00 0.00 173.24 174.95 1pj4 s ILE 3373N -0.87 4.87 0.27 -1.02 1.01 -1.26 -5.03 121.20 119.17 1pj4 s ILE 3373Ca -0.08 1.29 -0.29 0.00 0.00 0.00 0.00 60.65 61.57 1pj4 s ILE 3373Cb -0.06 -4.07 -0.10 0.00 0.01 0.00 0.00 42.46 38.24 1pj4 s ILE 3373CO -0.00 -0.10 1.32 -2.16 0.00 0.00 0.00 174.94 174.00 1pj4 s PRO 3374N 2.76 4.37 -0.18 2.79 0.04 -1.26 -4.96 135.00 138.56 1pj4 s PRO 3374Ca 0.31 2.16 -0.14 0.00 0.04 0.00 0.00 61.00 63.36 1pj4 s PRO 3374Cb -0.15 -3.12 -0.22 0.00 0.04 0.00 0.00 34.50 31.05 1pj4 s PRO 3374CO 0.09 -0.22 0.23 -3.47 0.04 0.00 0.00 177.00 173.68 1pj4 n ASP 3375N 1.66 1.99 -4.85 6.66 2.03 -1.26 -4.54 116.55 118.23 1pj4 n ASP 3375Ca 0.03 0.31 -0.28 0.00 0.52 0.00 0.00 54.79 55.37 1pj4 n ASP 3375Cb 0.42 -0.90 -0.03 0.00 -0.72 0.00 0.00 41.12 39.89 1pj4 n ASP 3375CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1pj4 s THR 3376N -2.46 1.57 0.21 5.18 -4.23 -1.26 -4.91 115.64 109.75 1pj4 s THR 3376Ca -0.27 -1.66 0.02 0.00 -1.18 0.00 0.00 61.69 58.60 1pj4 s THR 3376Cb 0.07 -2.23 -0.06 0.00 1.34 0.00 0.00 72.50 71.61 1pj4 s THR 3376CO 0.66 0.00 1.52 0.15 -0.54 0.00 0.00 174.62 176.41 1pj4 h PHE 3377N 0.99 0.43 -0.79 3.99 3.57 -1.93 -2.54 116.94 120.67 1pj4 h PHE 3377Ca -0.40 -0.17 0.01 0.00 3.53 0.00 0.00 57.97 60.94 1pj4 h PHE 3377Cb 1.30 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.93 1pj4 h PHE 3377CO 1.11 0.87 0.51 1.49 -2.23 0.00 0.00 178.31 180.06 1pj4 h GLU 3378N 0.24 1.04 -0.34 1.11 4.81 -1.96 -0.67 114.58 118.82 1pj4 h GLU 3378Ca -0.01 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.03 1pj4 h GLU 3378Cb 1.15 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 1pj4 h GLU 3378CO 0.10 0.70 -0.29 -0.44 -0.73 0.00 0.00 179.01 178.36 1pj4 h ASP 3379N 1.07 0.73 -0.50 1.04 3.32 -1.90 -2.26 116.42 117.92 1pj4 h ASP 3379Ca 0.29 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1pj4 h ASP 3379Cb -0.11 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 1pj4 h ASP 3379CO -0.06 0.98 0.18 0.00 -1.72 0.00 0.00 179.24 178.62 1pj4 h ALA 3380N 1.07 1.28 -0.25 3.45 0.00 -0.83 -0.99 119.26 122.99 1pj4 h ALA 3380Ca 0.07 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1pj4 h ALA 3380Cb 0.79 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1pj4 h ALA 3380CO 0.07 0.52 -0.22 0.28 0.00 0.00 0.00 179.25 179.89 1pj4 h VAL 3381N 0.80 1.31 0.00 0.00 2.07 -0.90 -1.35 116.25 118.18 1pj4 h VAL 3381Ca 0.18 -1.37 -0.11 0.00 0.82 0.00 0.00 66.70 66.22 1pj4 h VAL 3381Cb 0.22 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1pj4 h VAL 3381CO -0.01 0.43 -0.54 0.78 0.02 0.00 0.00 177.57 178.25 1pj4 h ASN 3382N 0.29 0.00 0.08 0.57 2.35 -1.22 0.22 115.58 117.88 1pj4 h ASN 3382Ca 0.04 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.63 1pj4 h ASN 3382Cb 0.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.14 1pj4 h ASN 3382CO 0.06 0.54 -0.82 0.40 -1.65 0.00 0.00 177.43 175.96 1pj4 h ILE 3383N 0.00 1.38 0.00 2.81 2.04 -1.21 -3.37 117.51 119.17 1pj4 h ILE 3383Ca -0.01 -2.40 -0.08 0.00 1.00 0.00 0.00 64.86 63.37 1pj4 h ILE 3383Cb 1.03 3.00 -0.01 0.00 -0.74 0.00 0.00 36.82 40.09 1pj4 h ILE 3383CO 0.07 0.63 -0.88 -0.07 0.00 0.00 0.00 178.15 177.90 1pj4 h LEU 3384N -0.60 0.00 -2.96 1.44 3.38 -1.33 -3.49 115.31 111.75 1pj4 h LEU 3384Ca -0.18 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.35 1pj4 h LEU 3384Cb 1.46 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.27 1pj4 h LEU 3384CO 0.04 0.29 -0.93 0.29 0.09 0.00 0.00 178.44 178.22 1pj4 n LYS 3385N -2.93 -1.69 -1.80 1.13 5.02 0.78 -4.93 118.16 113.75 1pj4 n LYS 3385Ca -0.02 0.44 -0.33 0.00 -2.02 0.00 0.00 58.31 56.38 1pj4 n LYS 3385Cb 0.68 -4.17 0.04 0.00 -0.02 0.00 0.00 35.03 31.56 1pj4 n LYS 3385CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1pj4 s PRO 3386N -6.13 2.87 0.12 1.97 0.04 -1.26 -4.92 135.00 127.69 1pj4 s PRO 3386Ca 0.38 1.38 0.21 0.00 0.04 0.00 0.00 61.00 63.01 1pj4 s PRO 3386Cb -0.14 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.34 1pj4 s PRO 3386CO 0.87 -1.20 0.86 -1.13 0.04 0.00 0.00 177.00 176.44 1pj4 n SER 3387N -2.36 0.64 -4.02 6.66 3.41 0.84 -4.88 113.62 113.90 1pj4 n SER 3387Ca 0.10 0.25 -0.21 0.00 -0.26 0.00 0.00 58.87 58.76 1pj4 n SER 3387Cb 0.52 0.77 -0.15 0.00 -0.26 0.00 0.00 64.21 65.09 1pj4 n SER 3387CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1pj4 s THR 3388N -3.31 0.83 -0.13 6.66 2.01 -0.92 -2.68 115.64 118.10 1pj4 s THR 3388Ca -0.03 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.59 1pj4 s THR 3388Cb 0.10 -0.73 0.01 0.00 0.01 0.00 0.00 72.50 71.90 1pj4 s THR 3388CO 0.82 0.25 -0.17 -0.51 -0.69 0.00 0.00 174.62 174.32 1pj4 s ILE 3389N 0.09 1.72 -0.23 1.82 1.10 0.43 -1.34 121.20 124.79 1pj4 s ILE 3389Ca -0.02 -0.76 0.02 0.00 -0.51 0.00 0.00 60.65 59.38 1pj4 s ILE 3389Cb -0.08 -1.56 0.05 0.00 0.15 0.00 0.00 42.46 41.02 1pj4 s ILE 3389CO 0.00 0.48 -0.12 -0.63 -2.11 0.00 0.00 174.94 172.56 1pj4 s ILE 3390N 1.03 1.98 -0.35 2.00 1.01 -0.76 -0.69 121.20 125.42 1pj4 s ILE 3390Ca -0.04 -1.31 -0.22 0.00 0.00 0.00 0.00 60.65 59.07 1pj4 s ILE 3390Cb -0.15 -2.03 0.01 0.00 0.01 0.00 0.00 42.46 40.30 1pj4 s ILE 3390CO -0.04 0.14 0.72 -0.83 0.00 0.00 0.00 174.94 174.93 1pj4 s GLY 3391N 1.23 1.70 -0.36 6.18 0.00 0.64 -1.02 107.32 115.69 1pj4 s GLY 3391Ca -0.04 -0.71 0.14 0.00 0.00 0.00 0.00 44.72 44.11 1pj4 s GLY 3391CO -0.08 1.64 1.03 3.33 0.00 0.00 0.00 173.10 179.03 1pj4 n VAL 3392N 5.67 0.53 0.33 1.40 0.24 -0.73 -0.62 118.33 125.15 1pj4 n VAL 3392Ca 0.01 -2.78 0.08 0.00 -2.04 0.00 0.00 64.34 59.61 1pj4 n VAL 3392Cb 0.48 0.68 -0.10 0.00 -1.47 0.00 0.00 33.84 33.42 1pj4 n VAL 3392CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pj4 n ALA 3393N -0.12 3.23 -2.80 2.33 0.00 -1.15 -4.59 120.51 117.41 1pj4 n ALA 3393Ca 0.08 -0.40 -0.20 0.00 0.00 0.00 0.00 53.44 52.92 1pj4 n ALA 3393Cb 0.80 -0.54 0.01 0.00 0.00 0.00 0.00 19.45 19.71 1pj4 n ALA 3393CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj4 n GLY 3394N 1.50 -0.51 0.51 0.00 0.00 -1.26 -4.89 105.19 100.54 1pj4 n GLY 3394Ca -0.00 0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.14 1pj4 n GLY 3394CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pj4 n ALA 3395N -2.87 2.58 0.00 4.61 0.00 -1.26 -4.78 120.51 118.79 1pj4 n ALA 3395Ca -0.14 -2.41 0.00 0.00 0.00 0.00 0.00 53.44 50.90 1pj4 n ALA 3395Cb 0.62 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1pj4 n ALA 3395CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pj4 n GLY 3396N -0.76 -1.79 2.95 0.00 0.00 -0.85 -4.74 105.19 99.99 1pj4 n GLY 3396Ca 0.12 -1.87 -0.23 0.00 0.00 0.00 0.00 46.02 44.04 1pj4 n GLY 3396CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pj4 n ARG 3397N 0.00 1.05 0.12 1.61 5.12 -1.16 -3.73 116.66 119.68 1pj4 n ARG 3397Ca 0.00 -1.19 0.13 0.00 -1.93 0.00 0.00 57.85 54.86 1pj4 n ARG 3397Cb 0.00 -2.42 0.40 0.00 -1.16 0.00 0.00 32.46 29.28 1pj4 n ARG 3397CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1pj4 h LEU 3398N 11.31 0.00 -7.49 0.55 -0.00 -1.80 -3.35 115.31 114.52 1pj4 h LEU 3398Ca 0.30 0.00 -0.75 0.00 -0.00 0.00 0.00 57.88 57.43 1pj4 h LEU 3398Cb 0.29 0.00 -0.19 0.00 -0.00 0.00 0.00 40.66 40.76 1pj4 h LEU 3398CO 1.51 0.00 1.33 0.49 -0.00 0.00 0.00 178.44 181.76 1pj4 n PHE 3399N -2.37 4.65 -0.96 1.13 0.99 -0.60 -4.95 117.46 115.36 1pj4 n PHE 3399Ca 0.05 -3.33 -0.30 0.00 -0.00 0.00 0.00 57.45 53.87 1pj4 n PHE 3399Cb 0.41 -2.07 0.16 0.00 -1.00 0.00 0.00 39.48 36.98 1pj4 n PHE 3399CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1pj4 s THR 3400N 0.91 2.50 0.38 4.37 -4.23 -1.26 -4.62 115.64 113.69 1pj4 s THR 3400Ca 0.41 0.16 0.12 0.00 -1.18 0.00 0.00 61.69 61.20 1pj4 s THR 3400Cb -0.02 -2.44 0.34 0.00 1.34 0.00 0.00 72.50 71.73 1pj4 s THR 3400CO -0.00 -0.21 1.87 -0.65 -0.54 0.00 0.00 174.62 175.08 1pj4 h PRO 3401N -1.76 0.55 -0.12 3.99 0.11 -1.94 0.13 132.00 132.95 1pj4 h PRO 3401Ca -0.49 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.43 1pj4 h PRO 3401Cb 1.28 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1pj4 h PRO 3401CO 0.50 0.36 -0.59 -0.44 -0.21 0.00 0.00 178.00 177.62 1pj4 h ASP 3402N 0.56 0.45 -0.46 -2.05 3.32 -1.99 -0.53 116.42 115.73 1pj4 h ASP 3402Ca 0.45 -0.25 -0.11 0.00 0.02 0.00 0.00 57.03 57.14 1pj4 h ASP 3402Cb 0.89 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 1pj4 h ASP 3402CO -0.19 0.94 -0.12 0.58 -1.72 0.00 0.00 179.24 178.72 1pj4 h VAL 3403N 0.30 1.27 -0.20 -1.35 2.07 -1.35 -1.18 116.25 115.80 1pj4 h VAL 3403Ca -0.00 -1.25 -0.17 0.00 0.82 0.00 0.00 66.70 66.10 1pj4 h VAL 3403Cb 1.11 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1pj4 h VAL 3403CO 0.10 0.44 -0.55 0.40 0.02 0.00 0.00 177.57 177.98 1pj4 h ILE 3404N 0.83 1.31 -0.21 4.57 2.04 -1.08 -3.14 117.51 121.83 1pj4 h ILE 3404Ca 0.13 -1.77 -0.10 0.00 1.00 0.00 0.00 64.86 64.13 1pj4 h ILE 3404Cb 0.66 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 1pj4 h ILE 3404CO 0.05 0.56 -0.29 0.03 0.00 0.00 0.00 178.15 178.49 1pj4 h ARG 3405N 0.44 0.41 -0.64 2.37 3.08 -1.06 -2.26 114.38 116.72 1pj4 h ARG 3405Ca -0.01 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1pj4 h ARG 3405Cb 1.17 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1pj4 h ARG 3405CO 0.12 0.66 0.00 0.00 -1.07 0.00 0.00 179.97 179.68 1pj4 n ALA 3406N -2.48 1.22 0.00 0.04 0.00 -0.45 -1.67 120.51 117.17 1pj4 n ALA 3406Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1pj4 n ALA 3406Cb 0.42 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1pj4 n ALA 3406CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pj4 n ALA 3408N 0.63 0.00 0.16 0.00 0.00 -0.85 -1.56 120.51 118.89 1pj4 n ALA 3408Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1pj4 n ALA 3408Cb 0.02 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.55 1pj4 n ALA 3408CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pj4 h SER 3409N 0.00 0.00 0.49 0.00 4.64 -1.61 -3.33 113.55 113.75 1pj4 h SER 3409Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 1pj4 h SER 3409Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1pj4 h SER 3409CO 0.00 0.11 -1.69 0.40 -0.87 0.00 0.00 176.83 174.79 1pj4 h ILE 3410N 0.00 0.88 -3.94 0.95 2.04 -1.55 -3.47 117.51 112.42 1pj4 h ILE 3410Ca -0.01 -2.72 -0.53 0.00 1.00 0.00 0.00 64.86 62.60 1pj4 h ILE 3410Cb 1.10 2.46 -0.22 0.00 -0.74 0.00 0.00 36.82 39.41 1pj4 h ILE 3410CO 0.01 0.55 -0.82 0.20 0.00 0.00 0.00 178.15 178.10 1pj4 s ASN 3411N -6.22 2.34 0.03 1.72 0.01 -1.25 -5.04 114.94 106.53 1pj4 s ASN 3411Ca -0.06 -0.66 -0.18 0.00 -0.71 0.00 0.00 52.86 51.25 1pj4 s ASN 3411Cb 0.08 -0.12 -0.23 0.00 0.41 0.00 0.00 41.25 41.38 1pj4 s ASN 3411CO 0.82 0.04 1.13 -0.08 -1.51 0.00 0.00 177.10 177.49 1pj4 h GLU 3412N 4.17 0.50 -2.88 -0.60 4.57 -1.92 -3.39 114.58 115.02 1pj4 h GLU 3412Ca -0.45 -0.53 -0.61 0.00 -1.18 0.00 0.00 59.36 56.59 1pj4 h GLU 3412Cb 1.18 0.15 -0.41 0.00 -0.16 0.00 0.00 28.75 29.51 1pj4 h GLU 3412CO 0.40 1.17 -0.70 1.03 -1.18 0.00 0.00 179.01 179.73 1pj4 s ARG 3413N -3.25 1.95 0.37 1.92 1.81 -1.26 -4.75 118.95 115.75 1pj4 s ARG 3413Ca -0.12 -2.92 -0.26 0.00 -1.72 0.00 0.00 55.73 50.71 1pj4 s ARG 3413Cb 0.05 -2.80 -0.09 0.00 -0.45 0.00 0.00 34.95 31.66 1pj4 s ARG 3413CO 0.85 -1.30 1.17 -1.25 -0.68 0.00 0.00 175.30 174.08 1pj4 s PRO 3414N -0.91 4.20 -0.33 3.54 0.04 -1.25 -4.80 135.00 135.49 1pj4 s PRO 3414Ca 0.27 1.86 -0.09 0.00 0.04 0.00 0.00 61.00 63.07 1pj4 s PRO 3414Cb -0.04 -2.80 0.01 0.00 0.04 0.00 0.00 34.50 31.71 1pj4 s PRO 3414CO -0.16 -0.20 0.16 0.08 0.04 0.00 0.00 177.00 176.91 1pj4 s VAL 3415N -1.35 4.48 -0.24 -0.36 1.01 -1.09 -1.28 120.40 121.57 1pj4 s VAL 3415Ca 0.54 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 1pj4 s VAL 3415Cb -0.31 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.74 1pj4 s VAL 3415CO 0.40 -0.02 -0.09 -0.63 0.00 0.00 0.00 175.10 174.76 1pj4 s ILE 3416N 1.58 2.64 -0.23 2.22 1.01 -0.71 -0.43 121.20 127.27 1pj4 s ILE 3416Ca 0.03 -1.11 -0.02 0.00 0.00 0.00 0.00 60.65 59.55 1pj4 s ILE 3416Cb -0.18 -2.34 0.01 0.00 0.01 0.00 0.00 42.46 39.97 1pj4 s ILE 3416CO 0.06 0.21 -0.07 -0.36 0.00 0.00 0.00 174.94 174.78 1pj4 s PHE 3417N 1.28 2.98 -0.73 3.97 0.40 0.13 -2.82 117.98 123.19 1pj4 s PHE 3417Ca -0.01 -1.34 -0.01 0.00 -0.60 0.00 0.00 56.93 54.97 1pj4 s PHE 3417Cb -0.17 -2.06 0.18 0.00 0.51 0.00 0.00 43.02 41.49 1pj4 s PHE 3417CO -0.06 -0.68 0.57 0.00 0.70 0.00 0.00 175.22 175.75 1pj4 s ALA 3418N 1.38 3.85 -1.26 5.36 0.00 -0.51 0.23 121.76 130.81 1pj4 s ALA 3418Ca 0.03 -3.57 0.28 0.00 0.00 0.00 0.00 51.96 48.71 1pj4 s ALA 3418Cb -0.15 -2.64 1.15 0.00 0.00 0.00 0.00 23.12 21.48 1pj4 s ALA 3418CO -0.05 -2.12 1.84 1.28 0.00 0.00 0.00 175.76 176.70 1pj4 n LEU 3419N 2.82 0.23 -4.77 0.00 4.77 0.21 -2.06 117.00 118.19 1pj4 n LEU 3419Ca 0.14 0.23 -0.38 0.00 -0.03 0.00 0.00 56.01 55.97 1pj4 n LEU 3419Cb 0.37 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1pj4 n LEU 3419CO 0.34 0.05 0.81 -0.44 -1.33 0.00 0.00 177.39 176.82 1pj4 s SER 3420N -2.77 6.65 0.14 -1.43 0.01 -1.23 -4.08 113.70 110.99 1pj4 s SER 3420Ca 0.20 2.27 0.08 0.00 1.31 0.00 0.00 55.95 59.81 1pj4 s SER 3420Cb 0.19 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 1pj4 s SER 3420CO 0.53 -0.58 -0.19 0.20 0.41 0.00 0.00 173.24 173.61 1pj4 s ASN 3421N -1.21 2.62 0.70 2.44 0.01 -1.26 -3.71 114.94 114.52 1pj4 s ASN 3421Ca 0.56 -0.79 0.00 0.00 -0.71 0.00 0.00 52.86 51.92 1pj4 s ASN 3421Cb -0.29 -0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.22 1pj4 s ASN 3421CO 0.36 0.00 0.00 -0.81 -1.51 0.00 0.00 177.10 175.14 1pj4 n PRO 3422N 0.60 0.34 -0.35 -0.60 -0.04 -1.26 0.61 135.00 134.30 1pj4 n PRO 3422Ca -0.16 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.26 1pj4 n PRO 3422Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1pj4 n PRO 3422CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1pj4 h THR 3423N -0.70 0.03 -0.16 0.52 2.02 -1.92 0.82 112.91 113.51 1pj4 h THR 3423Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1pj4 h THR 3423Cb 0.00 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 1pj4 h THR 3423CO 0.00 0.00 0.28 0.00 0.37 0.00 0.00 175.52 176.17 1pj4 h ALA 3424N 1.08 1.65 -0.01 6.16 0.00 -1.95 0.65 119.26 126.85 1pj4 h ALA 3424Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1pj4 h ALA 3424Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1pj4 h ALA 3424CO -0.91 -0.36 -0.29 0.94 0.00 0.00 0.00 179.25 178.62 1pj4 n GLN 3425N -3.43 1.16 -1.93 0.00 -0.06 0.27 -4.46 117.38 108.92 1pj4 n GLN 3425Ca 0.01 -0.82 -0.39 0.00 -2.00 0.00 0.00 57.00 53.80 1pj4 n GLN 3425Cb 0.38 -1.48 0.02 0.00 -4.06 0.00 0.00 30.24 25.10 1pj4 n GLN 3425CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1pj4 s ALA 3426N -2.41 3.02 0.46 1.69 0.00 0.22 -2.02 121.76 122.72 1pj4 s ALA 3426Ca 0.24 1.27 0.26 0.00 0.00 0.00 0.00 51.96 53.72 1pj4 s ALA 3426Cb 0.19 -3.52 1.45 0.00 0.00 0.00 0.00 23.12 21.24 1pj4 s ALA 3426CO 0.51 -1.09 2.10 0.93 0.00 0.00 0.00 175.76 178.20 1pj4 h GLU 3427N 1.99 0.00 -1.39 0.00 3.07 -1.82 -3.06 114.58 113.37 1pj4 h GLU 3427Ca -0.50 0.00 0.31 0.00 -0.50 0.00 0.00 59.36 58.67 1pj4 h GLU 3427Cb 1.27 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 29.03 1pj4 h GLU 3427CO 0.60 0.10 0.85 0.00 -1.40 0.00 0.00 179.01 179.16 1pj4 s THR 3429N -2.36 3.83 0.17 0.00 -4.23 -1.26 -4.91 115.64 106.88 1pj4 s THR 3429Ca 0.13 -0.81 -0.12 0.00 -1.18 0.00 0.00 61.69 59.70 1pj4 s THR 3429Cb 0.03 -3.36 0.08 0.00 1.34 0.00 0.00 72.50 70.59 1pj4 s THR 3429CO -0.04 -0.18 1.73 0.00 -0.54 0.00 0.00 174.62 175.58 1pj4 h ALA 3430N 0.64 0.78 -0.93 3.99 0.00 -1.97 -1.93 119.26 119.84 1pj4 h ALA 3430Ca -0.45 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.40 1pj4 h ALA 3430Cb 1.26 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 1pj4 h ALA 3430CO 0.53 0.40 0.56 0.93 0.00 0.00 0.00 179.25 181.68 1pj4 h GLU 3431N 0.83 0.87 -0.08 0.00 4.39 -1.95 -0.56 114.58 118.08 1pj4 h GLU 3431Ca 0.20 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.71 1pj4 h GLU 3431Cb 0.21 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1pj4 h GLU 3431CO -0.02 0.58 -0.46 0.93 -1.16 0.00 0.00 179.01 178.88 1pj4 h GLU 3432N 0.90 0.46 -0.14 2.33 5.08 -1.90 -2.45 114.58 118.85 1pj4 h GLU 3432Ca 0.46 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1pj4 h GLU 3432Cb 0.46 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1pj4 h GLU 3432CO -0.27 1.02 0.09 0.00 -1.00 0.00 0.00 179.01 178.85 1pj4 h ALA 3433N 0.45 0.18 -0.23 3.43 0.00 -0.89 -0.70 119.26 121.51 1pj4 h ALA 3433Ca -0.03 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1pj4 h ALA 3433Cb 1.11 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1pj4 h ALA 3433CO 0.09 -0.30 -0.48 1.88 0.00 0.00 0.00 179.25 180.44 1pj4 h TYR 3434N 0.16 0.73 0.23 0.00 0.99 -1.22 -3.04 116.97 114.83 1pj4 h TYR 3434Ca 0.05 -0.24 -0.01 0.00 2.00 0.00 0.00 58.73 60.53 1pj4 h TYR 3434Cb 0.03 -0.15 0.00 0.00 1.00 0.00 0.00 36.73 37.61 1pj4 h TYR 3434CO -0.05 0.96 -0.11 1.15 -0.00 0.00 0.00 178.16 180.11 1pj4 h THR 3435N 0.48 0.58 0.00 -2.88 2.02 -1.36 0.34 112.91 112.09 1pj4 h THR 3435Ca 0.03 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1pj4 h THR 3435Cb 1.01 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1pj4 h THR 3435CO 0.09 0.15 0.00 0.18 0.37 0.00 0.00 175.52 176.31 1pj4 n LEU 3436N -4.99 0.02 -0.22 2.58 4.77 -0.28 -0.70 117.00 118.17 1pj4 n LEU 3436Ca -0.07 0.51 0.03 0.00 -0.03 0.00 0.00 56.01 56.44 1pj4 n LEU 3436Cb 0.24 -0.51 0.03 0.00 -2.33 0.00 0.00 43.42 40.86 1pj4 n LEU 3436CO 0.22 -0.46 0.38 0.35 -1.33 0.00 0.00 177.39 176.55 1pj4 n THR 3437N -1.52 0.19 -3.66 -5.08 -2.24 -1.15 -4.51 114.28 96.32 1pj4 n THR 3437Ca 0.01 -0.60 -0.22 0.00 -2.27 0.00 0.00 64.05 60.97 1pj4 n THR 3437Cb 0.04 0.99 0.05 0.00 -2.10 0.00 0.00 70.33 69.31 1pj4 n THR 3437CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pj4 n GLU 3438N 0.23 -5.80 -1.45 -0.78 1.02 0.12 -2.14 120.64 111.85 1pj4 n GLU 3438Ca 0.03 0.70 -0.15 0.00 -0.02 0.00 0.00 57.16 57.72 1pj4 n GLU 3438Cb 0.17 -5.48 -0.07 0.00 -0.02 0.00 0.00 31.44 26.04 1pj4 n GLU 3438CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pj4 n GLY 3439N -1.54 1.56 0.01 0.62 0.00 0.11 -4.89 105.19 101.06 1pj4 n GLY 3439Ca -0.20 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.64 1pj4 n GLY 3439CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pj4 n ARG 3440N -2.52 0.10 -2.66 1.61 1.74 -0.91 -4.98 116.66 109.03 1pj4 n ARG 3440Ca -0.15 -0.02 -0.23 0.00 -0.77 0.00 0.00 57.85 56.68 1pj4 n ARG 3440Cb 0.51 -1.51 0.03 0.00 -1.02 0.00 0.00 32.46 30.47 1pj4 n ARG 3440CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pj4 s LEU 3442N -4.78 3.86 -0.02 0.00 1.43 -0.40 -4.94 118.68 113.82 1pj4 s LEU 3442Ca 0.55 -1.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.36 1pj4 s LEU 3442Cb -0.10 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 1pj4 s LEU 3442CO 0.40 -0.25 -0.09 0.12 0.23 0.00 0.00 176.35 176.75 1pj4 s PHE 3443N 1.22 2.83 -0.06 0.29 5.36 -1.26 -1.73 117.98 124.62 1pj4 s PHE 3443Ca -0.05 -0.07 -0.08 0.00 -0.96 0.00 0.00 56.93 55.76 1pj4 s PHE 3443Cb -0.20 -1.62 0.02 0.00 -0.34 0.00 0.00 43.02 40.88 1pj4 s PHE 3443CO -0.02 0.32 0.21 0.00 -1.46 0.00 0.00 175.22 174.27 1pj4 s ALA 3444N -0.91 -0.52 0.08 11.12 0.00 -1.13 -3.56 121.76 126.84 1pj4 s ALA 3444Ca 0.15 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.57 1pj4 s ALA 3444Cb -0.11 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1pj4 s ALA 3444CO 0.05 -0.14 -0.06 -1.54 0.00 0.00 0.00 175.76 174.08 1pj4 s SER 3445N -0.28 0.92 0.09 0.00 1.04 -0.95 -1.43 113.70 113.10 1pj4 s SER 3445Ca -0.04 -0.91 -0.14 0.00 0.48 0.00 0.00 55.95 55.34 1pj4 s SER 3445Cb -0.03 0.11 -0.16 0.00 0.10 0.00 0.00 66.02 66.04 1pj4 s SER 3445CO 0.01 -0.45 1.29 1.23 0.98 0.00 0.00 173.24 176.31 1pj4 h GLY 3446N 3.32 0.81 -3.23 7.32 0.00 -1.55 0.22 103.07 109.96 1pj4 h GLY 3446Ca -0.35 -1.13 -0.47 0.00 0.00 0.00 0.00 47.33 45.38 1pj4 h GLY 3446CO 0.60 1.00 -0.40 -0.56 0.00 0.00 0.00 176.54 177.19 1pj4 s SER 3447N -6.98 6.32 0.37 0.19 0.01 -1.26 -4.50 113.70 107.85 1pj4 s SER 3447Ca -0.11 0.15 -0.25 0.00 1.31 0.00 0.00 55.95 57.05 1pj4 s SER 3447Cb 0.08 -1.90 -0.09 0.00 0.21 0.00 0.00 66.02 64.32 1pj4 s SER 3447CO 0.88 -0.09 1.06 -2.16 0.41 0.00 0.00 173.24 173.35 1pj4 s PRO 3448N -3.92 4.26 -0.01 12.44 0.04 -1.26 -4.94 135.00 141.61 1pj4 s PRO 3448Ca 0.35 1.58 0.01 0.00 0.04 0.00 0.00 61.00 62.98 1pj4 s PRO 3448Cb -0.09 -2.69 0.01 0.00 0.04 0.00 0.00 34.50 31.77 1pj4 s PRO 3448CO 0.30 -0.07 -0.01 -0.06 0.04 0.00 0.00 177.00 177.20 1pj4 s PHE 3449N -1.54 0.22 1.12 0.56 0.40 -1.26 -5.02 117.98 112.46 1pj4 s PHE 3449Ca 0.55 -0.02 -0.18 0.00 -0.60 0.00 0.00 56.93 56.68 1pj4 s PHE 3449Cb -0.24 -0.21 0.26 0.00 0.51 0.00 0.00 43.02 43.34 1pj4 s PHE 3449CO 0.31 -0.04 1.19 0.20 0.70 0.00 0.00 175.22 177.58 1pj4 s GLY 3450N 0.26 1.66 0.61 4.36 0.00 -1.26 -4.75 107.32 108.21 1pj4 s GLY 3450Ca -0.02 -1.07 -0.19 0.00 0.00 0.00 0.00 44.72 43.44 1pj4 s GLY 3450CO -0.01 -0.22 1.27 2.56 0.00 0.00 0.00 173.10 176.71 1pj4 s PRO 3451N -5.61 2.78 -0.16 2.90 0.04 -1.26 -4.70 135.00 128.99 1pj4 s PRO 3451Ca 0.72 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.77 1pj4 s PRO 3451Cb -0.07 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 1pj4 s PRO 3451CO 0.55 -1.40 -0.15 0.08 0.04 0.00 0.00 177.00 176.12 1pj4 s VAL 3452N -1.45 2.72 -0.30 -0.36 1.01 0.75 -4.94 120.40 117.83 1pj4 s VAL 3452Ca 0.79 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.94 1pj4 s VAL 3452Cb -0.35 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1pj4 s VAL 3452CO 0.38 0.51 0.11 -0.75 0.00 0.00 0.00 175.10 175.35 1pj4 s LYS 3453N 0.81 3.20 0.59 2.72 2.20 -1.26 -0.10 119.74 127.90 1pj4 s LYS 3453Ca -0.05 -0.79 -0.13 0.00 -0.36 0.00 0.00 55.97 54.64 1pj4 s LYS 3453Cb -0.15 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.68 1pj4 s LYS 3453CO 0.00 -0.42 1.02 -0.51 -0.36 0.00 0.00 175.35 175.07 1pj4 s LEU 3454N 1.55 3.36 0.58 5.43 1.43 -0.08 -4.92 118.68 126.03 1pj4 s LEU 3454Ca 0.03 1.49 0.30 0.00 -1.03 0.00 0.00 54.13 54.93 1pj4 s LEU 3454Cb -0.17 -4.49 1.44 0.00 0.03 0.00 0.00 46.19 43.00 1pj4 s LEU 3454CO 0.04 -0.82 1.83 0.71 0.23 0.00 0.00 176.35 178.34 1pj4 h THR 3455N 0.09 0.37 -0.10 5.49 1.35 -1.99 0.38 112.91 118.50 1pj4 h THR 3455Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1pj4 h THR 3455Cb 1.19 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 1pj4 h THR 3455CO 0.61 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.98 1pj4 n ASP 3456N -3.82 0.76 0.00 5.36 5.68 -1.26 -4.91 116.55 118.36 1pj4 n ASP 3456Ca 0.13 -1.67 0.00 0.00 -0.50 0.00 0.00 54.79 52.75 1pj4 n ASP 3456Cb 0.85 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.77 1pj4 n ASP 3456CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pj4 n GLY 3457N 0.89 1.61 3.77 6.12 0.00 0.13 -5.05 105.19 112.66 1pj4 n GLY 3457Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1pj4 n GLY 3457CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pj4 s ARG 3458N -0.63 4.02 -0.15 1.61 0.52 -1.25 -4.76 118.95 118.31 1pj4 s ARG 3458Ca 0.00 1.82 0.02 0.00 -0.52 0.00 0.00 55.73 57.05 1pj4 s ARG 3458Cb 0.00 -2.64 0.01 0.00 0.52 0.00 0.00 34.95 32.84 1pj4 s ARG 3458CO 0.00 -0.34 -0.20 0.08 0.02 0.00 0.00 175.30 174.86 1pj4 s VAL 3459N -1.44 2.20 -0.14 3.52 1.01 -1.26 -0.90 120.40 123.39 1pj4 s VAL 3459Ca 0.58 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 1pj4 s VAL 3459Cb -0.30 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 1pj4 s VAL 3459CO 0.38 0.54 -0.10 -0.36 0.00 0.00 0.00 175.10 175.56 1pj4 s PHE 3460N 0.92 2.89 -0.44 5.22 0.08 0.85 -4.93 117.98 122.57 1pj4 s PHE 3460Ca -0.04 -0.56 -0.08 0.00 0.12 0.00 0.00 56.93 56.36 1pj4 s PHE 3460Cb -0.15 -1.90 0.10 0.00 -0.57 0.00 0.00 43.02 40.50 1pj4 s PHE 3460CO -0.04 -0.18 0.29 0.99 -0.10 0.00 0.00 175.22 176.18 1pj4 s THR 3461N 0.44 4.06 0.46 0.64 2.01 -0.92 -0.18 115.64 122.15 1pj4 s THR 3461Ca -0.08 -1.68 -0.22 0.00 0.31 0.00 0.00 61.69 60.02 1pj4 s THR 3461Cb -0.15 -3.62 -0.08 0.00 0.01 0.00 0.00 72.50 68.67 1pj4 s THR 3461CO 0.04 -0.66 1.12 -2.16 -0.69 0.00 0.00 174.62 172.27 1pj4 s PRO 3462N 1.35 3.80 0.40 4.92 0.04 -1.26 -3.55 135.00 140.70 1pj4 s PRO 3462Ca 0.05 1.63 -0.01 0.00 0.04 0.00 0.00 61.00 62.71 1pj4 s PRO 3462Cb -0.24 -2.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 1pj4 s PRO 3462CO -0.00 -0.48 0.63 0.20 0.04 0.00 0.00 177.00 177.38 1pj4 s GLY 3463N -1.55 1.43 -0.41 0.56 0.00 -1.23 -4.93 107.32 101.18 1pj4 s GLY 3463Ca 0.64 -0.88 -0.09 0.00 0.00 0.00 0.00 44.72 44.39 1pj4 s GLY 3463CO 0.30 -0.77 0.25 1.62 0.00 0.00 0.00 173.10 174.50 1pj4 s GLN 3464N -4.47 2.58 -1.22 2.90 0.74 -1.26 -2.23 119.66 116.70 1pj4 s GLN 3464Ca 0.44 -1.46 -0.16 0.00 0.05 0.00 0.00 55.36 54.23 1pj4 s GLN 3464Cb -0.10 -3.76 0.13 0.00 1.10 0.00 0.00 33.01 30.38 1pj4 s GLN 3464CO 0.38 -0.94 1.54 0.20 -0.55 0.00 0.00 175.29 175.91 1pj4 s GLY 3465N 2.07 2.07 0.01 2.59 0.00 0.77 -4.90 107.32 109.93 1pj4 s GLY 3465Ca 0.03 -3.14 0.07 0.00 0.00 0.00 0.00 44.72 41.67 1pj4 s GLY 3465CO 0.02 2.32 -0.20 0.21 0.00 0.00 0.00 173.10 175.45 1pj4 s ASN 3466N 3.44 2.41 0.00 1.64 3.84 -1.26 -4.04 114.94 120.97 1pj4 s ASN 3466Ca 0.47 -0.42 0.07 0.00 0.21 0.00 0.00 52.86 53.18 1pj4 s ASN 3466Cb -0.00 -0.24 0.42 0.00 -0.55 0.00 0.00 41.25 40.87 1pj4 s ASN 3466CO 0.02 0.22 0.87 -0.46 -2.79 0.00 0.00 177.10 174.96 1pj4 n ASN 3467N 2.32 0.00 0.29 -4.21 0.23 -1.26 -2.36 115.26 110.27 1pj4 n ASN 3467Ca -0.16 -0.22 0.17 0.00 -0.53 0.00 0.00 54.58 53.84 1pj4 n ASN 3467Cb 0.53 0.00 0.84 0.00 -2.08 0.00 0.00 39.78 39.07 1pj4 n ASN 3467CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1pj4 h VAL 3468N 0.00 0.19 0.00 3.53 3.04 -1.95 -0.56 116.25 120.50 1pj4 h VAL 3468Ca 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 1pj4 h VAL 3468Cb 0.00 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 1pj4 h VAL 3468CO 0.00 0.04 0.00 1.88 -1.01 0.00 0.00 177.57 178.48 1pj4 h TYR 3469N 0.00 0.00 0.00 3.17 -1.99 -1.84 -3.40 116.97 112.91 1pj4 h TYR 3469Ca -0.00 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.56 1pj4 h TYR 3469Cb 0.33 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.03 1pj4 h TYR 3469CO 0.00 0.00 -1.42 -0.89 -0.00 0.00 0.00 178.16 175.85 1pj4 n ILE 3470N -2.58 0.91 -0.09 -2.88 2.08 -0.31 -4.75 119.36 111.74 1pj4 n ILE 3470Ca 0.03 -0.07 0.03 0.00 0.56 0.00 0.00 62.75 63.31 1pj4 n ILE 3470Cb 0.37 -1.76 0.35 0.00 -0.75 0.00 0.00 39.64 37.85 1pj4 n ILE 3470CO 0.00 0.00 0.00 2.19 0.56 0.00 0.00 176.55 179.30 1pj4 h PHE 3471N -0.48 0.69 -0.06 1.39 -5.15 -1.52 -2.20 116.94 109.60 1pj4 h PHE 3471Ca -0.25 0.02 -0.00 0.00 -0.20 0.00 0.00 57.97 57.53 1pj4 h PHE 3471Cb 1.08 -0.23 -0.00 0.00 0.22 0.00 0.00 35.95 37.02 1pj4 h PHE 3471CO -0.09 0.43 0.04 -1.35 -2.00 0.00 0.00 178.31 175.34 1pj4 h PRO 3472N 0.75 0.09 -0.60 6.09 0.11 -1.83 0.73 132.00 137.33 1pj4 h PRO 3472Ca 0.21 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.22 1pj4 h PRO 3472Cb -0.07 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 1pj4 h PRO 3472CO -0.05 0.13 0.04 0.78 -0.21 0.00 0.00 178.00 178.70 1pj4 h GLY 3473N 0.02 1.11 0.90 -0.55 0.00 -1.72 -0.80 103.07 102.03 1pj4 h GLY 3473Ca 0.02 -0.79 -0.09 0.00 0.00 0.00 0.00 47.33 46.47 1pj4 h GLY 3473CO -0.00 0.73 -0.20 -2.08 0.00 0.00 0.00 176.54 174.98 1pj4 h VAL 3474N 0.93 1.31 -0.31 4.60 2.07 -1.35 -2.38 116.25 121.12 1pj4 h VAL 3474Ca 0.18 -1.34 0.03 0.00 0.82 0.00 0.00 66.70 66.39 1pj4 h VAL 3474Cb 0.50 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1pj4 h VAL 3474CO 0.02 0.42 0.11 0.00 0.02 0.00 0.00 177.57 178.15 1pj4 h ALA 3475N 0.70 0.35 -0.37 1.67 0.00 -0.74 -0.92 119.26 119.95 1pj4 h ALA 3475Ca 0.05 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1pj4 h ALA 3475Cb 0.74 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1pj4 h ALA 3475CO 0.05 -0.28 0.12 1.25 0.00 0.00 0.00 179.25 180.39 1pj4 h LEU 3476N 0.25 0.12 -0.25 0.00 5.85 -1.06 -1.79 115.31 118.43 1pj4 h LEU 3476Ca 0.14 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1pj4 h LEU 3476Cb 0.10 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1pj4 h LEU 3476CO -0.13 0.10 0.12 0.00 -0.34 0.00 0.00 178.44 178.19 1pj4 h ALA 3477N 1.25 0.32 -0.82 1.25 0.00 -1.04 -1.40 119.26 118.82 1pj4 h ALA 3477Ca 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1pj4 h ALA 3477Cb 0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1pj4 h ALA 3477CO -0.19 -0.11 0.48 0.28 0.00 0.00 0.00 179.25 179.71 1pj4 h VAL 3478N 0.27 1.23 -0.11 0.00 2.07 -1.01 -1.02 116.25 117.68 1pj4 h VAL 3478Ca 0.08 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 67.01 1pj4 h VAL 3478Cb 0.13 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1pj4 h VAL 3478CO -0.01 0.25 -0.15 0.40 0.02 0.00 0.00 177.57 178.08 1pj4 h ILE 3479N 1.14 1.37 0.00 4.57 2.04 -1.21 -1.79 117.51 123.63 1pj4 h ILE 3479Ca 0.29 -1.36 -0.05 0.00 1.00 0.00 0.00 64.86 64.75 1pj4 h ILE 3479Cb -0.02 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1pj4 h ILE 3479CO -0.05 0.39 -0.23 -0.07 0.00 0.00 0.00 178.15 178.19 1pj4 h LEU 3480N -0.11 0.00 -1.15 1.44 3.38 -1.05 -2.45 115.31 115.37 1pj4 h LEU 3480Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pj4 h LEU 3480Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1pj4 h LEU 3480CO 0.04 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.79 1pj4 n ASN 3482N 0.37 -3.90 -4.77 0.00 5.03 -0.92 -0.16 115.26 110.90 1pj4 n ASN 3482Ca 0.17 -0.85 -0.39 0.00 0.87 0.00 0.00 54.58 54.38 1pj4 n ASN 3482Cb 0.37 -3.60 -0.01 0.00 -1.02 0.00 0.00 39.78 35.52 1pj4 n ASN 3482CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1pj4 s THR 3483N -3.37 2.72 -0.15 3.41 2.01 -0.70 -3.64 115.64 115.92 1pj4 s THR 3483Ca 0.59 0.64 0.02 0.00 0.31 0.00 0.00 61.69 63.24 1pj4 s THR 3483Cb -0.30 -3.37 -0.23 0.00 0.01 0.00 0.00 72.50 68.60 1pj4 s THR 3483CO 0.85 0.09 0.25 0.54 -0.69 0.00 0.00 174.62 175.66 1pj4 n ARG 3484N 0.12 0.70 -3.88 4.92 1.74 -1.26 -4.85 116.66 114.15 1pj4 n ARG 3484Ca 0.04 0.21 -0.11 0.00 -0.77 0.00 0.00 57.85 57.22 1pj4 n ARG 3484Cb 0.44 -1.66 -0.12 0.00 -1.02 0.00 0.00 32.46 30.11 1pj4 n ARG 3484CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1pj4 s HIS 3485N -2.55 0.03 -0.31 -1.55 3.76 -1.26 -2.99 115.29 110.42 1pj4 s HIS 3485Ca -0.21 -0.06 -0.09 0.00 -0.15 0.00 0.00 55.06 54.56 1pj4 s HIS 3485Cb 0.07 -0.05 -0.01 0.00 1.11 0.00 0.00 32.58 33.71 1pj4 s HIS 3485CO 0.75 -0.16 0.14 0.42 -0.85 0.00 0.00 174.74 175.04 1pj4 s ILE 3486N -0.76 4.50 0.52 0.60 1.01 -1.26 -5.03 121.20 120.77 1pj4 s ILE 3486Ca -0.08 -0.45 -0.05 0.00 0.00 0.00 0.00 60.65 60.07 1pj4 s ILE 3486Cb -0.05 -3.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 1pj4 s ILE 3486CO 0.00 0.08 0.81 -0.94 0.00 0.00 0.00 174.94 174.90 1pj4 s SER 3487N 1.60 6.00 0.40 3.58 1.04 -1.26 -4.97 113.70 120.08 1pj4 s SER 3487Ca 0.04 0.80 0.10 0.00 0.48 0.00 0.00 55.95 57.37 1pj4 s SER 3487Cb -0.17 -2.00 0.82 0.00 0.10 0.00 0.00 66.02 64.77 1pj4 s SER 3487CO 0.06 -0.75 1.95 0.44 0.98 0.00 0.00 173.24 175.91 1pj4 h ASP 3488N 0.10 0.24 -0.08 7.02 3.32 -2.01 -2.05 116.42 122.97 1pj4 h ASP 3488Ca -0.46 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 56.57 1pj4 h ASP 3488Cb 1.23 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 1pj4 h ASP 3488CO 0.61 0.35 0.08 0.77 -1.72 0.00 0.00 179.24 179.34 1pj4 h SER 3489N 0.25 0.00 -0.70 6.45 4.64 -2.00 -0.27 113.55 121.92 1pj4 h SER 3489Ca 0.06 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.34 1pj4 h SER 3489Cb 0.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.35 1pj4 h SER 3489CO 0.01 0.00 0.31 0.58 -0.87 0.00 0.00 176.83 176.86 1pj4 h VAL 3490N 0.00 1.24 0.00 0.95 2.07 -1.76 -0.82 116.25 117.94 1pj4 h VAL 3490Ca 0.04 -0.73 -0.12 0.00 0.82 0.00 0.00 66.70 66.70 1pj4 h VAL 3490Cb 0.20 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1pj4 h VAL 3490CO -0.00 0.30 -0.59 -0.26 0.02 0.00 0.00 177.57 177.04 1pj4 h PHE 3491N 1.04 0.00 -0.36 1.57 -1.00 -1.19 -1.27 116.94 115.72 1pj4 h PHE 3491Ca 0.25 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.95 1pj4 h PHE 3491Cb 0.17 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 1pj4 h PHE 3491CO 0.02 0.59 -0.05 1.25 -1.61 0.00 0.00 178.31 178.51 1pj4 h LEU 3492N 0.00 0.67 -0.97 1.54 6.46 -1.10 0.27 115.31 122.18 1pj4 h LEU 3492Ca -0.01 -0.34 -0.05 0.00 -0.12 0.00 0.00 57.88 57.36 1pj4 h LEU 3492Cb 1.18 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.90 1pj4 h LEU 3492CO 0.08 0.86 0.16 -0.08 -0.62 0.00 0.00 178.44 178.83 1pj4 h GLU 3493N 0.48 0.90 -0.52 1.25 4.57 -0.97 -1.55 114.58 118.73 1pj4 h GLU 3493Ca 0.10 -0.18 -0.10 0.00 -1.18 0.00 0.00 59.36 57.99 1pj4 h GLU 3493Cb 0.54 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1pj4 h GLU 3493CO 0.03 0.80 -0.06 0.00 -1.18 0.00 0.00 179.01 178.59 1pj4 h ALA 3494N 1.30 0.71 -0.39 2.92 0.00 -0.97 -0.57 119.26 122.26 1pj4 h ALA 3494Ca 0.19 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1pj4 h ALA 3494Cb 0.29 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1pj4 h ALA 3494CO -0.00 0.59 0.18 0.00 0.00 0.00 0.00 179.25 180.01 1pj4 h ALA 3495N 0.93 0.48 -0.43 0.00 0.00 -0.32 -0.49 119.26 119.41 1pj4 h ALA 3495Ca 0.14 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1pj4 h ALA 3495Cb 0.61 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1pj4 h ALA 3495CO 0.04 -0.19 0.10 0.87 0.00 0.00 0.00 179.25 180.06 1pj4 h LYS 3496N 0.37 0.70 -0.18 0.00 1.57 -1.09 -2.18 116.57 115.75 1pj4 h LYS 3496Ca 0.17 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1pj4 h LYS 3496Cb 0.10 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1pj4 h LYS 3496CO -0.14 0.72 0.03 0.00 -0.57 0.00 0.00 179.45 179.49 1pj4 h ALA 3497N 0.96 1.71 0.06 3.86 0.00 -0.67 -0.02 119.26 125.16 1pj4 h ALA 3497Ca 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pj4 h ALA 3497Cb 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1pj4 h ALA 3497CO 0.00 0.22 -0.03 1.25 0.00 0.00 0.00 179.25 180.70 1pj4 h LEU 3498N 0.26 -0.07 -1.08 0.00 5.85 -0.86 -3.30 115.31 116.11 1pj4 h LEU 3498Ca 0.06 -0.50 -0.08 0.00 0.84 0.00 0.00 57.88 58.20 1pj4 h LEU 3498Cb 0.13 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1pj4 h LEU 3498CO -0.00 0.49 -0.22 0.00 -0.34 0.00 0.00 178.44 178.37 1pj4 h THR 3499N -0.68 1.25 0.00 1.05 1.03 -1.17 -2.72 112.91 111.67 1pj4 h THR 3499Ca -0.01 -1.15 0.00 0.00 -0.01 0.00 0.00 66.41 65.24 1pj4 h THR 3499Cb 0.57 1.33 0.00 0.00 -1.07 0.00 0.00 68.15 68.98 1pj4 h THR 3499CO 0.01 0.36 0.00 -1.54 -0.01 0.00 0.00 175.52 174.35 1pj4 n SER 3500N -4.15 0.00 -0.81 0.00 3.41 -0.04 -1.06 113.62 110.97 1pj4 n SER 3500Ca -0.00 0.26 0.11 0.00 -0.26 0.00 0.00 58.87 58.98 1pj4 n SER 3500Cb 0.37 -0.31 0.07 0.00 -0.26 0.00 0.00 64.21 64.08 1pj4 n SER 3500CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pj4 n GLN 3501N -1.31 1.96 -2.49 4.33 6.02 -1.02 -4.91 117.38 119.96 1pj4 n GLN 3501Ca 0.02 -1.63 -0.43 0.00 -0.01 0.00 0.00 57.00 54.95 1pj4 n GLN 3501Cb 0.03 -1.46 -0.02 0.00 1.02 0.00 0.00 30.24 29.81 1pj4 n GLN 3501CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1pj4 s LEU 3502N -2.11 4.23 0.10 1.08 1.43 -0.22 -4.87 118.68 118.31 1pj4 s LEU 3502Ca 0.25 1.71 -0.17 0.00 -1.03 0.00 0.00 54.13 54.88 1pj4 s LEU 3502Cb 0.19 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.79 1pj4 s LEU 3502CO 0.38 -0.64 0.55 0.42 0.23 0.00 0.00 176.35 177.28 1pj4 s THR 3503N 2.73 4.81 0.34 5.49 -4.23 -1.26 -4.97 115.64 118.55 1pj4 s THR 3503Ca 0.54 1.03 0.14 0.00 -1.18 0.00 0.00 61.69 62.22 1pj4 s THR 3503Cb -0.22 -3.82 0.34 0.00 1.34 0.00 0.00 72.50 70.14 1pj4 s THR 3503CO 0.18 0.43 1.69 0.44 -0.54 0.00 0.00 174.62 176.82 1pj4 h ASP 3504N 4.15 0.55 0.05 3.99 5.19 -2.00 0.31 116.42 128.66 1pj4 h ASP 3504Ca -0.49 0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.07 1pj4 h ASP 3504Cb 1.21 0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.81 1pj4 h ASP 3504CO 0.64 -0.05 -0.05 -0.33 -3.12 0.00 0.00 179.24 176.33 1pj4 h GLU 3505N 0.40 0.00 0.05 3.56 3.07 -2.01 -2.06 114.58 117.59 1pj4 h GLU 3505Ca 0.70 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 59.33 1pj4 h GLU 3505Cb 1.57 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.46 1pj4 h GLU 3505CO -0.53 0.05 -1.05 0.93 -1.40 0.00 0.00 179.01 177.01 1pj4 h GLU 3506N 0.00 0.14 -0.25 2.33 5.08 -0.77 -3.24 114.58 117.88 1pj4 h GLU 3506Ca -0.00 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1pj4 h GLU 3506Cb 0.09 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1pj4 h GLU 3506CO 0.01 1.06 0.10 -0.07 -1.00 0.00 0.00 179.01 179.11 1pj4 h LEU 3507N 0.05 0.34 -0.86 1.33 3.38 -1.10 -2.18 115.31 116.27 1pj4 h LEU 3507Ca -0.06 -0.16 0.21 0.00 0.09 0.00 0.00 57.88 57.96 1pj4 h LEU 3507Cb 1.77 -0.09 -0.13 0.00 0.09 0.00 0.00 40.66 42.31 1pj4 h LEU 3507CO 0.16 0.41 0.30 0.00 0.09 0.00 0.00 178.44 179.40 1pj4 h ALA 3508N 0.95 1.28 0.00 1.53 0.00 -1.46 0.37 119.26 121.94 1pj4 h ALA 3508Ca 0.08 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1pj4 h ALA 3508Cb 0.17 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1pj4 h ALA 3508CO -0.01 -0.37 0.00 1.04 0.00 0.00 0.00 179.25 179.91 1pj4 n GLN 3509N -5.12 0.02 0.00 0.00 6.02 -1.10 -4.82 117.38 112.38 1pj4 n GLN 3509Ca 0.20 0.27 0.00 0.00 -0.01 0.00 0.00 57.00 57.46 1pj4 n GLN 3509Cb 0.62 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.34 1pj4 n GLN 3509CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pj4 n GLY 3510N -0.03 1.17 3.65 1.08 0.00 0.13 -2.18 105.19 109.01 1pj4 n GLY 3510Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1pj4 n GLY 3510CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pj4 s ARG 3511N -0.60 4.20 0.00 1.61 0.52 -0.84 -4.21 118.95 119.63 1pj4 s ARG 3511Ca 0.00 0.78 0.24 0.00 -0.52 0.00 0.00 55.73 56.22 1pj4 s ARG 3511Cb 0.00 -3.61 0.17 0.00 0.52 0.00 0.00 34.95 32.03 1pj4 s ARG 3511CO 0.00 -0.36 1.21 1.28 0.02 0.00 0.00 175.30 177.45 1pj4 n LEU 3512N 5.46 2.17 -4.03 2.53 4.77 -1.26 -3.94 117.00 122.70 1pj4 n LEU 3512Ca 0.02 -0.76 -0.08 0.00 -0.03 0.00 0.00 56.01 55.15 1pj4 n LEU 3512Cb 0.49 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 1pj4 n LEU 3512CO 0.46 0.39 -0.34 -0.31 -1.33 0.00 0.00 177.39 176.25 1pj4 s TYR 3513N -2.33 0.38 0.65 -1.77 1.51 -1.26 -4.54 117.35 110.00 1pj4 s TYR 3513Ca 0.23 -0.80 -0.18 0.00 -1.01 0.00 0.00 57.07 55.31 1pj4 s TYR 3513Cb 0.19 -0.28 -0.01 0.00 -0.11 0.00 0.00 41.96 41.75 1pj4 s TYR 3513CO 0.48 -0.31 1.27 -2.14 -1.11 0.00 0.00 175.55 173.74 1pj4 s PRO 3514N -2.85 2.55 0.23 -1.71 0.02 -1.26 -4.88 135.00 127.10 1pj4 s PRO 3514Ca -0.03 1.99 -0.31 0.00 0.02 0.00 0.00 61.00 62.67 1pj4 s PRO 3514Cb 0.00 -1.86 -0.14 0.00 0.02 0.00 0.00 34.50 32.52 1pj4 s PRO 3514CO -0.06 -1.58 1.23 -2.30 -0.33 0.00 0.00 177.00 173.96 1pj4 n PRO 3515N -1.97 1.58 0.26 5.54 -0.02 -1.26 -4.86 135.00 134.28 1pj4 n PRO 3515Ca 0.15 0.56 0.11 0.00 -2.02 0.00 0.00 63.50 62.31 1pj4 n PRO 3515Cb 0.49 -2.09 0.71 0.00 -0.02 0.00 0.00 33.50 32.59 1pj4 n PRO 3515CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1pj4 h LEU 3516N 3.32 0.00 -2.21 2.45 5.85 -2.00 -1.68 115.31 121.04 1pj4 h LEU 3516Ca -0.43 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1pj4 h LEU 3516Cb 1.31 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 1pj4 h LEU 3516CO 0.70 0.10 -0.06 0.00 -0.34 0.00 0.00 178.44 178.84 1pj4 h ALA 3517N 1.90 1.34 -0.59 1.25 0.00 -1.96 -1.96 119.26 119.24 1pj4 h ALA 3517Ca -0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 1pj4 h ALA 3517Cb 0.24 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.90 1pj4 h ALA 3517CO 0.01 0.07 0.19 0.09 0.00 0.00 0.00 179.25 179.62 1pj4 n ASN 3518N -3.65 3.96 0.28 0.00 5.03 -0.63 -4.66 115.26 115.59 1pj4 n ASN 3518Ca -0.02 -3.37 0.12 0.00 0.87 0.00 0.00 54.58 52.18 1pj4 n ASN 3518Cb 0.16 -0.69 0.80 0.00 -1.02 0.00 0.00 39.78 39.03 1pj4 n ASN 3518CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 1pj4 h ILE 3519N 1.89 0.71 0.35 2.41 2.10 -1.42 -1.44 117.51 122.10 1pj4 h ILE 3519Ca 0.25 -0.04 -0.02 0.00 1.08 0.00 0.00 64.86 66.14 1pj4 h ILE 3519Cb 2.08 1.02 0.00 0.00 -1.09 0.00 0.00 36.82 38.83 1pj4 h ILE 3519CO 0.61 0.01 -0.17 1.56 -1.08 0.00 0.00 178.15 179.08 1pj4 h GLN 3520N 0.00 -0.45 -0.74 2.19 7.50 -1.83 -1.05 115.11 120.73 1pj4 h GLN 3520Ca -0.00 0.03 -0.03 0.00 0.50 0.00 0.00 58.65 59.15 1pj4 h GLN 3520Cb 0.02 0.10 -0.03 0.00 0.05 0.00 0.00 27.48 27.62 1pj4 h GLN 3520CO 0.00 -0.13 0.34 1.05 -1.50 0.00 0.00 178.83 178.59 1pj4 h GLU 3521N -0.82 1.07 -0.93 1.46 4.11 -1.79 -2.13 114.58 115.56 1pj4 h GLU 3521Ca -0.05 -0.17 0.01 0.00 0.07 0.00 0.00 59.36 59.22 1pj4 h GLU 3521Cb 0.52 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 1pj4 h GLU 3521CO 0.08 0.85 0.62 0.28 0.07 0.00 0.00 179.01 180.90 1pj4 h VAL 3522N 1.04 1.24 -0.48 -1.06 2.07 -1.27 -0.81 116.25 116.97 1pj4 h VAL 3522Ca 0.25 -0.44 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 1pj4 h VAL 3522Cb 0.14 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.77 1pj4 h VAL 3522CO -0.03 0.23 -0.04 0.28 0.02 0.00 0.00 177.57 178.04 1pj4 h SER 3523N 1.26 0.87 -0.60 0.57 0.02 -0.86 -1.99 113.55 112.82 1pj4 h SER 3523Ca 0.34 -0.33 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 1pj4 h SER 3523Cb -0.14 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.13 1pj4 h SER 3523CO -0.07 0.99 0.18 0.40 -1.14 0.00 0.00 176.83 177.18 1pj4 h ILE 3524N 0.73 1.24 -0.40 3.27 1.08 -0.99 -1.02 117.51 121.42 1pj4 h ILE 3524Ca 0.13 -0.85 -0.11 0.00 -0.39 0.00 0.00 64.86 63.64 1pj4 h ILE 3524Cb 0.56 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 1pj4 h ILE 3524CO 0.03 0.32 -0.20 0.78 -0.69 0.00 0.00 178.15 178.40 1pj4 h ASN 3525N 0.93 0.79 -0.58 1.72 2.35 -0.97 -1.33 115.58 118.49 1pj4 h ASN 3525Ca 0.21 -0.27 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 1pj4 h ASN 3525Cb 0.29 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1pj4 h ASN 3525CO -0.01 0.97 0.08 0.40 -1.65 0.00 0.00 177.43 177.22 1pj4 h ILE 3526N 0.68 1.26 -0.83 2.81 2.04 -0.96 -1.73 117.51 120.78 1pj4 h ILE 3526Ca 0.10 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 1pj4 h ILE 3526Cb 0.71 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1pj4 h ILE 3526CO 0.05 0.37 0.49 0.00 0.00 0.00 0.00 178.15 179.07 1pj4 h ALA 3527N 1.00 1.06 -0.15 1.87 0.00 -0.86 0.13 119.26 122.31 1pj4 h ALA 3527Ca 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1pj4 h ALA 3527Cb 0.45 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1pj4 h ALA 3527CO 0.02 0.53 0.09 0.82 0.00 0.00 0.00 179.25 180.70 1pj4 h ILE 3528N 1.14 1.08 -0.51 0.00 2.04 -0.99 0.24 117.51 120.52 1pj4 h ILE 3528Ca 0.30 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 1pj4 h ILE 3528Cb -0.03 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1pj4 h ILE 3528CO -0.05 0.08 0.26 0.11 0.00 0.00 0.00 178.15 178.54 1pj4 h LYS 3529N 0.16 0.72 -0.35 2.37 6.56 -0.87 -1.75 116.57 123.39 1pj4 h LYS 3529Ca 0.05 -0.09 -0.10 0.00 -1.06 0.00 0.00 60.65 59.45 1pj4 h LYS 3529Cb 0.05 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 31.56 1pj4 h LYS 3529CO -0.01 0.58 -0.20 0.28 -2.06 0.00 0.00 179.45 178.04 1pj4 h VAL 3530N 0.67 1.26 -0.54 0.50 2.07 -0.54 -1.54 116.25 118.14 1pj4 h VAL 3530Ca 0.18 -1.27 -0.08 0.00 0.82 0.00 0.00 66.70 66.35 1pj4 h VAL 3530Cb 0.08 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1pj4 h VAL 3530CO -0.03 0.42 0.00 0.00 0.02 0.00 0.00 177.57 177.98 1pj4 h THR 3531N 0.59 1.26 -0.30 2.57 1.03 -0.23 0.51 112.91 118.33 1pj4 h THR 3531Ca 0.09 -1.08 -0.12 0.00 -0.01 0.00 0.00 66.41 65.30 1pj4 h THR 3531Cb 0.67 0.84 -0.01 0.00 -1.07 0.00 0.00 68.15 68.57 1pj4 h THR 3531CO 0.05 0.39 -0.30 -0.33 -0.01 0.00 0.00 175.52 175.32 1pj4 h GLU 3532N 0.85 0.62 -0.51 0.00 5.08 -1.09 -2.13 114.58 117.41 1pj4 h GLU 3532Ca 0.16 -0.27 -0.11 0.00 -1.00 0.00 0.00 59.36 58.14 1pj4 h GLU 3532Cb 0.50 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1pj4 h GLU 3532CO 0.02 0.85 -0.11 -0.92 -1.00 0.00 0.00 179.01 177.85 1pj4 h TYR 3533N 0.53 1.09 -0.56 4.33 3.20 -0.82 -1.22 116.97 123.52 1pj4 h TYR 3533Ca 0.07 -0.23 -0.06 0.00 3.14 0.00 0.00 58.73 61.64 1pj4 h TYR 3533Cb 0.78 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 1pj4 h TYR 3533CO 0.03 1.03 0.11 -0.07 -1.64 0.00 0.00 178.16 177.63 1pj4 h LEU 3534N 0.83 0.87 -0.26 2.82 3.38 -0.68 -1.83 115.31 120.44 1pj4 h LEU 3534Ca 0.13 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.71 1pj4 h LEU 3534Cb 0.67 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1pj4 h LEU 3534CO 0.05 0.89 -0.40 1.88 0.09 0.00 0.00 178.44 180.95 1pj4 h TYR 3535N 0.81 0.92 -0.38 1.13 -1.99 -1.36 -2.75 116.97 113.35 1pj4 h TYR 3535Ca 0.17 -0.31 0.02 0.00 2.00 0.00 0.00 58.73 60.61 1pj4 h TYR 3535Cb 0.38 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.91 1pj4 h TYR 3535CO 0.03 1.09 0.25 0.00 -0.00 0.00 0.00 178.16 179.53 1pj4 h ALA 3536N 0.67 1.81 -0.67 3.88 0.00 -1.12 -2.15 119.26 121.67 1pj4 h ALA 3536Ca 0.02 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1pj4 h ALA 3536Cb 1.00 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 1pj4 h ALA 3536CO 0.09 0.16 0.17 0.09 0.00 0.00 0.00 179.25 179.76 1pj4 n ASN 3537N -4.48 5.11 -3.01 0.00 3.02 -0.70 -5.09 115.26 110.11 1pj4 n ASN 3537Ca 0.03 -3.13 -0.08 0.00 -0.03 0.00 0.00 54.58 51.37 1pj4 n ASN 3537Cb 0.12 -0.72 0.01 0.00 -0.61 0.00 0.00 39.78 38.58 1pj4 n ASN 3537CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pj4 n LYS 3538N 0.08 -2.11 -0.31 3.52 4.01 -0.81 -5.03 118.16 117.51 1pj4 n LYS 3538Ca 0.36 1.87 0.00 0.00 -0.51 0.00 0.00 58.31 60.03 1pj4 n LYS 3538Cb 1.31 -3.65 0.00 0.00 -0.51 0.00 0.00 35.03 32.18 1pj4 n LYS 3538CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pj4 n ALA 3540N 0.54 -1.00 -0.04 7.82 0.00 -1.05 -5.04 120.51 121.75 1pj4 n ALA 3540Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.47 1pj4 n ALA 3540Cb 0.34 -0.13 0.05 0.00 0.00 0.00 0.00 19.45 19.71 1pj4 n ALA 3540CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pj4 n PHE 3541N -0.08 0.14 -2.43 0.00 3.01 0.77 -4.91 117.46 113.96 1pj4 n PHE 3541Ca 0.00 -0.45 -0.43 0.00 1.01 0.00 0.00 57.45 57.58 1pj4 n PHE 3541Cb 0.00 -0.04 -0.02 0.00 -0.01 0.00 0.00 39.48 39.41 1pj4 n PHE 3541CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1pj4 s ARG 3542N -0.93 4.30 0.05 -1.08 3.00 -0.98 -4.94 118.95 118.37 1pj4 s ARG 3542Ca 0.08 1.68 0.09 0.00 -1.00 0.00 0.00 55.73 56.58 1pj4 s ARG 3542Cb 0.04 -3.64 -0.03 0.00 0.00 0.00 0.00 34.95 31.32 1pj4 s ARG 3542CO 0.05 -0.56 -0.26 1.52 0.00 0.00 0.00 175.30 176.06 1pj4 s TYR 3543N 2.74 2.25 0.78 5.12 -0.85 -1.26 -4.01 117.35 122.11 1pj4 s TYR 3543Ca 0.56 -0.41 -0.12 0.00 -0.52 0.00 0.00 57.07 56.58 1pj4 s TYR 3543Cb -0.24 -1.34 0.06 0.00 0.38 0.00 0.00 41.96 40.82 1pj4 s TYR 3543CO 0.19 0.13 1.16 -1.25 -1.52 0.00 0.00 175.55 174.26 1pj4 s PRO 3544N -1.27 2.21 0.12 -3.49 0.04 -1.26 -5.09 135.00 126.26 1pj4 s PRO 3544Ca 0.11 0.22 -0.30 0.00 0.04 0.00 0.00 61.00 61.07 1pj4 s PRO 3544Cb -0.10 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1pj4 s PRO 3544CO 0.02 -1.45 1.22 -2.00 0.04 0.00 0.00 177.00 174.84 1pj4 s GLU 3545N -5.51 4.44 0.41 4.56 2.12 -1.26 -4.99 118.70 118.48 1pj4 s GLU 3545Ca 0.61 1.85 -0.25 0.00 0.36 0.00 0.00 54.97 57.54 1pj4 s GLU 3545Cb -0.11 -3.29 -0.08 0.00 0.26 0.00 0.00 34.13 30.91 1pj4 s GLU 3545CO 0.50 -0.21 1.17 -2.14 -0.54 0.00 0.00 175.26 174.04 1pj4 s PRO 3546N 0.53 4.00 -0.02 4.30 0.02 -1.26 -4.95 135.00 137.63 1pj4 s PRO 3546Ca 0.57 1.84 -0.22 0.00 0.02 0.00 0.00 61.00 63.21 1pj4 s PRO 3546Cb -0.32 -2.63 -0.22 0.00 0.02 0.00 0.00 34.50 31.35 1pj4 s PRO 3546CO 0.32 -0.37 1.10 0.93 -0.33 0.00 0.00 177.00 178.66 1pj4 h GLU 3547N 2.53 0.29 -4.31 5.54 5.08 -2.05 -3.40 114.58 118.25 1pj4 h GLU 3547Ca -0.49 -0.28 -0.72 0.00 -1.00 0.00 0.00 59.36 56.87 1pj4 h GLU 3547Cb 1.24 0.07 -0.30 0.00 0.50 0.00 0.00 28.75 30.25 1pj4 h GLU 3547CO 0.62 0.96 -0.41 0.34 -1.00 0.00 0.00 179.01 179.52 1pj4 s ASP 3548N -6.45 5.63 0.42 1.42 2.15 -1.26 -4.97 116.67 113.62 1pj4 s ASP 3548Ca -0.15 -1.96 0.08 0.00 0.43 0.00 0.00 52.55 50.96 1pj4 s ASP 3548Cb 0.02 -1.98 0.92 0.00 -0.30 0.00 0.00 42.92 41.58 1pj4 s ASP 3548CO 0.77 -0.66 2.07 0.11 -0.17 0.00 0.00 175.17 177.29 1pj4 h LYS 3549N 8.35 0.47 -0.38 4.34 6.56 -1.96 -1.78 116.57 132.17 1pj4 h LYS 3549Ca -0.19 -0.03 -0.06 0.00 -1.06 0.00 0.00 60.65 59.31 1pj4 h LYS 3549Cb 1.07 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.61 1pj4 h LYS 3549CO 0.83 0.31 -0.01 0.00 -2.06 0.00 0.00 179.45 178.52 1pj4 h ALA 3550N 1.77 0.51 -0.47 3.86 0.00 -1.93 -1.77 119.26 121.23 1pj4 h ALA 3550Ca 0.14 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1pj4 h ALA 3550Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1pj4 h ALA 3550CO -0.03 0.29 -0.22 -0.22 0.00 0.00 0.00 179.25 179.07 1pj4 h LYS 3551N 0.50 0.97 -0.38 0.00 3.64 -1.93 -2.29 116.57 117.07 1pj4 h LYS 3551Ca 0.11 -0.42 0.05 0.00 -1.27 0.00 0.00 60.65 59.12 1pj4 h LYS 3551Cb 0.48 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 1pj4 h LYS 3551CO 0.02 1.09 0.11 -0.92 -2.27 0.00 0.00 179.45 177.48 1pj4 h TYR 3552N 0.84 0.19 -0.06 1.91 3.20 -1.16 -1.83 116.97 120.06 1pj4 h TYR 3552Ca 0.11 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 1pj4 h TYR 3552Cb 0.79 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.03 1pj4 h TYR 3552CO 0.05 0.07 -0.10 0.28 -1.64 0.00 0.00 178.16 176.81 1pj4 h VAL 3553N 0.25 1.41 -0.32 1.81 2.07 -1.28 -3.27 116.25 116.92 1pj4 h VAL 3553Ca 0.17 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 1pj4 h VAL 3553Cb 0.17 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1pj4 h VAL 3553CO -0.20 0.38 0.18 0.11 0.02 0.00 0.00 177.57 178.06 1pj4 h LYS 3554N -0.30 0.44 0.00 1.57 1.57 -1.35 -2.40 116.57 116.09 1pj4 h LYS 3554Ca 0.00 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1pj4 h LYS 3554Cb 0.67 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1pj4 h LYS 3554CO 0.02 0.33 -0.25 0.93 -0.57 0.00 0.00 179.45 179.91 1pj4 h GLU 3555N 0.45 0.00 -0.48 3.15 5.08 -1.40 -3.23 114.58 118.15 1pj4 h GLU 3555Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1pj4 h GLU 3555Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1pj4 h GLU 3555CO -0.02 0.25 0.00 0.54 -1.00 0.00 0.00 179.01 178.78 1pj4 n ARG 3556N -3.40 2.48 -2.91 2.33 1.74 -0.91 -4.95 116.66 111.04 1pj4 n ARG 3556Ca 0.00 -2.26 -0.40 0.00 -0.77 0.00 0.00 57.85 54.42 1pj4 n ARG 3556Cb 0.44 -1.51 -0.04 0.00 -1.02 0.00 0.00 32.46 30.33 1pj4 n ARG 3556CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1pj4 s THR 3557N -1.38 4.80 0.38 0.55 -4.23 -1.20 -4.93 115.64 109.63 1pj4 s THR 3557Ca 0.41 1.74 -0.26 0.00 -1.18 0.00 0.00 61.69 62.39 1pj4 s THR 3557Cb 0.23 -4.17 -0.09 0.00 1.34 0.00 0.00 72.50 69.81 1pj4 s THR 3557CO 0.31 0.29 1.24 0.86 -0.54 0.00 0.00 174.62 176.78 1pj4 s TRP 3558N 0.35 3.01 0.18 3.99 -0.00 0.15 -5.03 118.94 121.60 1pj4 s TRP 3558Ca 0.42 1.49 0.10 0.00 -0.00 0.00 0.00 56.10 58.11 1pj4 s TRP 3558Cb -0.20 -3.54 -0.04 0.00 -0.00 0.00 0.00 33.47 29.68 1pj4 s TRP 3558CO 0.24 -1.64 -0.16 0.50 -0.00 0.00 0.00 176.95 175.88 1pj4 s ARG 3559N -2.11 1.82 0.00 5.86 6.06 -1.26 -4.65 118.95 124.67 1pj4 s ARG 3559Ca 0.54 -1.37 0.28 0.00 -2.50 0.00 0.00 55.73 52.69 1pj4 s ARG 3559Cb -0.35 -2.03 1.13 0.00 0.06 0.00 0.00 34.95 33.76 1pj4 s ARG 3559CO 0.45 0.42 1.79 -1.13 -2.50 0.00 0.00 175.30 174.34 1pj4 n SER 3560N 0.19 1.02 -4.77 -2.12 3.41 -1.26 -4.90 113.62 105.18 1pj4 n SER 3560Ca -0.12 -1.14 -0.38 0.00 -0.26 0.00 0.00 58.87 56.97 1pj4 n SER 3560Cb 0.55 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 1pj4 n SER 3560CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1pj4 s GLU 3561N -2.19 4.05 0.36 4.33 0.41 -1.26 -4.68 118.70 119.72 1pj4 s GLU 3561Ca 0.35 1.74 -0.28 0.00 -0.41 0.00 0.00 54.97 56.37 1pj4 s GLU 3561Cb 0.21 -2.61 -0.10 0.00 -1.78 0.00 0.00 34.13 29.84 1pj4 s GLU 3561CO 0.40 -0.29 1.36 0.71 -0.49 0.00 0.00 175.26 176.95 1pj4 s TYR 3562N -1.49 2.87 0.23 1.61 4.12 -1.26 -5.03 117.35 118.40 1pj4 s TYR 3562Ca 0.58 1.34 0.03 0.00 0.02 0.00 0.00 57.07 59.04 1pj4 s TYR 3562Cb -0.28 -3.79 -0.03 0.00 -1.52 0.00 0.00 41.96 36.34 1pj4 s TYR 3562CO 0.35 -2.25 0.37 -0.51 0.02 0.00 0.00 175.55 173.54 1pj4 s ASP 3563N -0.41 6.33 0.12 2.29 1.01 -1.26 -5.07 116.67 119.67 1pj4 s ASP 3563Ca 0.51 0.18 -0.29 0.00 0.71 0.00 0.00 52.55 53.66 1pj4 s ASP 3563Cb -0.42 -1.91 -0.06 0.00 1.01 0.00 0.00 42.92 41.54 1pj4 s ASP 3563CO 0.56 -0.07 0.92 -0.55 0.21 0.00 0.00 175.17 176.23 1pj4 s SER 3564N -3.73 7.46 -0.09 0.27 0.15 -1.26 -4.93 113.70 111.56 1pj4 s SER 3564Ca 0.35 1.74 0.14 0.00 0.70 0.00 0.00 55.95 58.89 1pj4 s SER 3564Cb -0.10 -2.57 0.47 0.00 -1.71 0.00 0.00 66.02 62.12 1pj4 s SER 3564CO 0.30 -0.01 1.39 0.18 1.20 0.00 0.00 173.24 176.30 1pj4 n LEU 3565N 2.59 3.65 -4.74 3.45 4.77 -1.26 -5.01 117.00 120.44 1pj4 n LEU 3565Ca 0.01 -2.48 -0.41 0.00 -0.03 0.00 0.00 56.01 53.10 1pj4 n LEU 3565Cb 0.49 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1pj4 n LEU 3565CO 0.50 0.72 0.79 -0.76 -1.33 0.00 0.00 177.39 177.31 1pj4 s LEU 3566N -1.87 4.51 0.66 2.23 1.43 -1.26 -5.02 118.68 119.37 1pj4 s LEU 3566Ca 0.36 2.14 -0.15 0.00 -1.03 0.00 0.00 54.13 55.45 1pj4 s LEU 3566Cb 0.25 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.85 1pj4 s LEU 3566CO 0.15 -0.19 1.10 -2.16 0.23 0.00 0.00 176.35 175.48 1pj4 s PRO 3567N -0.69 2.83 -0.73 1.29 0.04 -1.26 -4.91 135.00 131.56 1pj4 s PRO 3567Ca 0.48 1.34 -0.26 0.00 0.04 0.00 0.00 61.00 62.59 1pj4 s PRO 3567Cb -0.30 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.29 1pj4 s PRO 3567CO 0.36 -1.22 1.50 0.34 0.04 0.00 0.00 177.00 178.02 1pj4 s ASP 3568N -2.71 5.88 -0.15 6.66 -1.08 -1.26 -4.98 116.67 119.03 1pj4 s ASP 3568Ca 0.66 -0.31 -0.05 0.00 -0.52 0.00 0.00 52.55 52.32 1pj4 s ASP 3568Cb -0.19 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.68 1pj4 s ASP 3568CO 0.42 -2.01 0.03 -0.69 0.52 0.00 0.00 175.17 173.44 1pj4 s VAL 3569N 6.86 4.52 -0.08 1.11 1.01 -1.26 -5.09 120.40 127.47 1pj4 s VAL 3569Ca 0.47 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.01 1pj4 s VAL 3569Cb -0.09 -3.00 0.08 0.00 0.00 0.00 0.00 36.38 33.37 1pj4 s VAL 3569CO 0.14 0.50 0.72 -0.72 0.00 0.00 0.00 175.10 175.74 1pj4 s TYR 3570N 0.07 -0.64 0.48 5.22 -0.85 -1.26 -5.17 117.35 115.20 1pj4 s TYR 3570Ca 0.04 1.15 -0.18 0.00 -0.52 0.00 0.00 57.07 57.56 1pj4 s TYR 3570Cb -0.13 0.40 -0.09 0.00 0.38 0.00 0.00 41.96 42.53 1pj4 s TYR 3570CO 0.01 -0.56 0.96 -1.21 -1.52 0.00 0.00 175.55 173.23 1pj4 s GLU 3571N -1.03 4.04 -0.14 -3.49 2.02 -1.26 -5.04 118.70 113.79 1pj4 s GLU 3571Ca -0.09 0.98 -0.18 0.00 0.02 0.00 0.00 54.97 55.69 1pj4 s GLU 3571Cb -0.01 -2.17 -0.04 0.00 0.10 0.00 0.00 34.13 32.02 1pj4 s GLU 3571CO 0.08 -0.17 0.50 -1.58 0.02 0.00 0.00 175.26 174.11 1pj4 s TRP 3572N -2.45 3.48 -2.00 1.61 0.52 -1.26 -5.34 118.94 113.50 1pj4 s TRP 3572Ca 0.59 0.88 0.12 0.00 0.02 0.00 0.00 56.10 57.71 1pj4 s TRP 3572Cb -0.10 -2.60 0.70 0.00 -1.15 0.00 0.00 33.47 30.33 1pj4 s TRP 3572CO 0.25 0.09 1.14 -0.35 0.02 0.00 0.00 176.95 178.10