#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xm5 s VAL 3004N 0.00 2.94 -0.27 5.09 -7.23 -1.26 -4.41 120.40 115.26 1xm5 s VAL 3004Ca 0.00 -0.74 -0.28 0.00 -1.81 0.00 0.00 61.98 59.15 1xm5 s VAL 3004Cb 0.00 -2.18 0.01 0.00 0.56 0.00 0.00 36.38 34.77 1xm5 s VAL 3004CO 0.00 0.56 1.01 -0.63 -0.31 0.00 0.00 175.10 175.73 1xm5 s ILE 3005N -0.21 4.64 -0.14 -0.62 1.09 -0.34 -4.95 121.20 120.67 1xm5 s ILE 3005Ca 0.00 1.80 -0.06 0.00 -1.10 0.00 0.00 60.65 61.28 1xm5 s ILE 3005Cb -0.13 -4.32 -0.04 0.00 -1.06 0.00 0.00 42.46 36.91 1xm5 s ILE 3005CO 0.03 -0.29 0.08 -0.22 -0.10 0.00 0.00 174.94 174.44 1xm5 s LEU 3006N 3.31 4.01 -0.61 2.97 2.96 -1.26 -1.96 118.68 128.10 1xm5 s LEU 3006Ca 0.43 0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.60 1xm5 s LEU 3006Cb -0.14 -1.98 0.15 0.00 0.50 0.00 0.00 46.19 44.72 1xm5 s LEU 3006CO 0.10 0.30 0.38 -0.62 -1.32 0.00 0.00 176.35 175.20 1xm5 s ASP 3007N -0.40 4.74 -0.12 3.68 2.15 -0.88 -5.01 116.67 120.84 1xm5 s ASP 3007Ca 0.10 -3.18 -0.29 0.00 0.43 0.00 0.00 52.55 49.61 1xm5 s ASP 3007Cb -0.12 -1.71 -0.01 0.00 -0.30 0.00 0.00 42.92 40.78 1xm5 s ASP 3007CO 0.02 -0.23 0.99 -0.22 -0.17 0.00 0.00 175.17 175.56 1xm5 s LEU 3008N -0.53 4.22 -0.29 -1.34 2.96 -1.26 -2.03 118.68 120.41 1xm5 s LEU 3008Ca 0.19 1.48 0.03 0.00 -0.22 0.00 0.00 54.13 55.61 1xm5 s LEU 3008Cb -0.19 -3.52 0.08 0.00 0.50 0.00 0.00 46.19 43.05 1xm5 s LEU 3008CO -0.05 -0.47 -0.04 -1.10 -1.32 0.00 0.00 176.35 173.38 1xm5 s GLN 3009N 2.15 1.85 -0.47 1.98 -0.21 0.08 -4.98 119.66 120.06 1xm5 s GLN 3009Ca 0.47 -1.50 -0.23 0.00 0.02 0.00 0.00 55.36 54.12 1xm5 s GLN 3009Cb -0.18 -2.95 0.03 0.00 1.00 0.00 0.00 33.01 30.92 1xm5 s GLN 3009CO 0.16 -0.72 0.81 -0.51 -2.12 0.00 0.00 175.29 172.91 1xm5 s LEU 3010N 1.07 4.26 -0.38 2.90 1.02 -1.26 -1.30 118.68 125.00 1xm5 s LEU 3010Ca -0.01 -0.19 0.07 0.00 0.02 0.00 0.00 54.13 54.02 1xm5 s LEU 3010Cb -0.19 -2.92 0.44 0.00 0.02 0.00 0.00 46.19 43.53 1xm5 s LEU 3010CO -0.07 -0.97 1.13 0.00 0.02 0.00 0.00 176.35 176.46 1xm5 n ALA 3011N 6.83 4.91 -2.43 4.21 0.00 -0.43 -4.97 120.51 128.63 1xm5 n ALA 3011Ca 0.02 -4.06 -0.22 0.00 0.00 0.00 0.00 53.44 49.18 1xm5 n ALA 3011Cb 0.48 -0.50 -0.05 0.00 0.00 0.00 0.00 19.45 19.38 1xm5 n ALA 3011CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xm5 h GLU 3013N 1.32 0.72 0.00 0.00 4.39 -1.97 -3.39 114.58 115.65 1xm5 h GLU 3013Ca -0.43 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 58.98 1xm5 h GLU 3013Cb 1.26 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1xm5 h GLU 3013CO 0.61 0.88 0.00 -3.47 -1.16 0.00 0.00 179.01 175.88 1xm5 n ASP 3014N -4.11 0.00 0.00 1.42 2.03 -1.26 -5.01 116.55 109.62 1xm5 n ASP 3014Ca -0.00 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1xm5 n ASP 3014Cb 0.43 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 1xm5 n ASP 3014CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1xm5 n ASN 3015N -1.57 -2.04 -4.74 1.67 3.02 -1.26 -5.06 115.26 105.28 1xm5 n ASN 3015Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.24 1xm5 n ASN 3015Cb 0.00 -0.34 -0.07 0.00 -0.61 0.00 0.00 39.78 38.76 1xm5 n ASN 3015CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1xm5 s SER 3016N -2.18 5.32 -0.22 6.41 0.01 -1.26 -4.53 113.70 117.24 1xm5 s SER 3016Ca 0.00 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1xm5 s SER 3016Cb 0.00 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 64.86 1xm5 s SER 3016CO 0.00 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.44 1xm5 n GLY 3017N 0.58 0.47 3.78 3.44 0.00 -1.26 -5.05 105.19 107.15 1xm5 n GLY 3017Ca -0.10 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 44.76 1xm5 n GLY 3017CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xm5 s LEU 3018N -0.54 3.67 0.86 0.99 1.43 -1.26 -5.09 118.68 118.73 1xm5 s LEU 3018Ca 0.00 -0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 1xm5 s LEU 3018Cb 0.00 -2.22 0.07 0.00 0.03 0.00 0.00 46.19 44.07 1xm5 s LEU 3018CO 0.00 -0.01 0.90 -2.65 0.23 0.00 0.00 176.35 174.82 1xm5 n PRO 3019N -0.93 -0.07 -2.74 1.29 -0.02 -1.26 -4.95 135.00 126.32 1xm5 n PRO 3019Ca -0.08 0.05 -0.35 0.00 -2.02 0.00 0.00 63.50 61.09 1xm5 n PRO 3019Cb 0.57 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.80 1xm5 n PRO 3019CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1xm5 s GLU 3020N -3.92 4.36 0.49 -0.52 2.56 -1.26 -4.93 118.70 115.47 1xm5 s GLU 3020Ca 0.67 1.29 0.23 0.00 0.00 0.00 0.00 54.97 57.16 1xm5 s GLU 3020Cb -0.27 -2.52 1.28 0.00 2.00 0.00 0.00 34.13 34.63 1xm5 s GLU 3020CO 0.58 0.07 1.93 1.49 -0.56 0.00 0.00 175.26 178.77 1xm5 h GLU 3021N 2.56 0.17 -0.10 4.30 4.81 -2.00 0.28 114.58 124.59 1xm5 h GLU 3021Ca -0.48 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 58.65 1xm5 h GLU 3021Cb 1.19 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1xm5 h GLU 3021CO 0.63 0.11 -0.33 0.66 -0.73 0.00 0.00 179.01 179.35 1xm5 h SER 3022N 0.17 0.20 -0.13 1.04 4.64 -1.99 -1.12 113.55 116.37 1xm5 h SER 3022Ca 0.35 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.57 1xm5 h SER 3022Cb 1.13 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1xm5 h SER 3022CO -0.06 0.53 -0.01 1.56 -0.87 0.00 0.00 176.83 177.98 1xm5 h GLN 3023N 0.18 0.24 -0.40 4.77 4.20 -0.81 0.55 115.11 123.83 1xm5 h GLN 3023Ca 0.02 -0.08 0.04 0.00 0.06 0.00 0.00 58.65 58.69 1xm5 h GLN 3023Cb 0.68 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 1xm5 h GLN 3023CO 0.05 0.51 0.17 0.74 -0.67 0.00 0.00 178.83 179.63 1xm5 h PHE 3024N -0.04 0.31 -0.59 2.96 -1.00 -1.30 0.52 116.94 117.80 1xm5 h PHE 3024Ca 0.04 0.02 0.09 0.00 2.81 0.00 0.00 57.97 60.92 1xm5 h PHE 3024Cb 0.41 -0.08 -0.07 0.00 3.61 0.00 0.00 35.95 39.82 1xm5 h PHE 3024CO 0.04 0.14 0.23 0.37 -1.61 0.00 0.00 178.31 177.48 1xm5 h GLN 3025N 0.35 0.40 0.19 1.51 5.75 -1.00 0.19 115.11 122.50 1xm5 h GLN 3025Ca 0.18 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 1xm5 h GLN 3025Cb 0.13 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.59 1xm5 h GLN 3025CO -0.16 0.27 -0.09 1.15 -2.65 0.00 0.00 178.83 177.35 1xm5 h THR 3026N 0.42 0.84 -0.62 2.39 2.02 0.15 -1.46 112.91 116.64 1xm5 h THR 3026Ca 0.29 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.36 1xm5 h THR 3026Cb 0.34 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 1xm5 h THR 3026CO -0.29 0.03 0.39 -0.50 0.37 0.00 0.00 175.52 175.53 1xm5 h TRP 3027N -0.32 0.74 -0.97 3.16 6.55 -0.39 -2.39 115.95 122.33 1xm5 h TRP 3027Ca -0.03 0.02 0.03 0.00 0.95 0.00 0.00 58.89 59.86 1xm5 h TRP 3027Cb 0.25 -0.24 -0.05 0.00 -0.86 0.00 0.00 29.16 28.25 1xm5 h TRP 3027CO -0.05 0.44 0.64 -0.07 -1.05 0.00 0.00 178.44 178.35 1xm5 h LEU 3028N 0.78 1.07 -1.31 -4.49 4.07 -0.46 -2.13 115.31 112.84 1xm5 h LEU 3028Ca 0.24 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 58.12 1xm5 h LEU 3028Cb -0.02 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.46 1xm5 h LEU 3028CO -0.08 0.74 -0.32 0.78 -1.08 0.00 0.00 178.44 178.48 1xm5 h ASN 3029N 1.25 0.00 0.36 -0.43 2.35 -0.76 -1.53 115.58 116.82 1xm5 h ASN 3029Ca 0.38 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 1xm5 h ASN 3029Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1xm5 h ASN 3029CO -0.11 0.32 -0.02 0.00 -1.65 0.00 0.00 177.43 175.97 1xm5 n ALA 3030N -2.37 2.59 0.00 -0.83 0.00 -0.81 -4.22 120.51 114.87 1xm5 n ALA 3030Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1xm5 n ALA 3030Cb 0.40 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1xm5 n ALA 3030CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xm5 n VAL 3031N -1.11 0.00 0.03 0.00 0.31 -0.96 -4.86 118.33 111.74 1xm5 n VAL 3031Ca 0.17 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.47 1xm5 n VAL 3031Cb 0.21 -1.41 -0.02 0.00 -0.91 0.00 0.00 33.84 31.72 1xm5 n VAL 3031CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1xm5 h ILE 3032N 0.00 0.05 -0.68 2.52 2.04 -1.49 -3.39 117.51 116.56 1xm5 h ILE 3032Ca 0.00 -0.89 0.16 0.00 1.00 0.00 0.00 64.86 65.13 1xm5 h ILE 3032Cb 0.94 0.09 -0.13 0.00 -0.74 0.00 0.00 36.82 36.98 1xm5 h ILE 3032CO 0.00 0.02 -0.08 -2.65 0.00 0.00 0.00 178.15 175.44 1xm5 n PRO 3033N -4.90 -0.06 0.00 2.37 -0.02 -1.26 0.10 135.00 131.24 1xm5 n PRO 3033Ca -0.03 1.04 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1xm5 n PRO 3033Cb 0.09 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1xm5 n PRO 3033CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xm5 n GLN 3034N -5.01 0.31 0.00 -0.52 10.64 -1.26 -0.93 117.38 120.61 1xm5 n GLN 3034Ca 0.14 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.31 1xm5 n GLN 3034Cb 0.44 -1.03 0.00 0.00 -0.86 0.00 0.00 30.24 28.79 1xm5 n GLN 3034CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1xm5 n PHE 3035N -0.34 0.00 0.00 2.61 3.01 0.29 -4.96 117.46 118.06 1xm5 n PHE 3035Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1xm5 n PHE 3035Cb 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 1xm5 n PHE 3035CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1xm5 n GLN 3036N -0.38 2.63 0.00 -1.08 6.02 -0.99 -5.04 117.38 118.55 1xm5 n GLN 3036Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1xm5 n GLN 3036Cb 0.02 -0.65 0.00 0.00 1.02 0.00 0.00 30.24 30.63 1xm5 n GLN 3036CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1xm5 n GLU 3037N -0.71 0.00 -3.58 -1.09 2.13 -0.10 -4.64 120.64 112.64 1xm5 n GLU 3037Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 1xm5 n GLU 3037Cb 0.08 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.68 1xm5 n GLU 3037CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1xm5 s GLU 3038N 0.00 2.74 0.27 5.31 2.02 -1.26 -4.62 118.70 123.16 1xm5 s GLU 3038Ca 0.00 -1.26 -0.21 0.00 0.02 0.00 0.00 54.97 53.52 1xm5 s GLU 3038Cb 0.00 -3.78 0.02 0.00 0.10 0.00 0.00 34.13 30.47 1xm5 s GLU 3038CO 0.00 -0.83 0.75 -1.54 0.02 0.00 0.00 175.26 173.66 1xm5 s SER 3039N 1.86 -0.25 -0.18 -0.19 1.04 -1.26 -4.77 113.70 109.95 1xm5 s SER 3039Ca 0.02 -0.60 -0.13 0.00 0.48 0.00 0.00 55.95 55.72 1xm5 s SER 3039Cb -0.21 0.71 0.05 0.00 0.10 0.00 0.00 66.02 66.67 1xm5 s SER 3039CO 0.05 -1.31 0.47 -1.83 0.98 0.00 0.00 173.24 171.59 1xm5 s GLU 3040N -3.83 0.50 0.10 4.02 -1.05 -1.12 -1.20 118.70 116.12 1xm5 s GLU 3040Ca 0.11 0.76 0.06 0.00 -0.15 0.00 0.00 54.97 55.76 1xm5 s GLU 3040Cb -0.06 0.14 -0.03 0.00 -0.44 0.00 0.00 34.13 33.74 1xm5 s GLU 3040CO 0.07 -0.11 -0.16 0.14 0.95 0.00 0.00 175.26 176.15 1xm5 s VAL 3041N 0.85 1.34 -0.04 1.83 -7.23 -0.83 -1.96 120.40 114.36 1xm5 s VAL 3041Ca -0.05 -1.52 -0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1xm5 s VAL 3041Cb -0.06 -1.37 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 1xm5 s VAL 3041CO -0.07 -0.26 0.00 -0.89 -0.31 0.00 0.00 175.10 173.57 1xm5 s THR 3042N -1.58 4.22 -0.07 5.32 2.01 -0.94 -2.07 115.64 122.53 1xm5 s THR 3042Ca 0.04 -0.43 -0.03 0.00 0.31 0.00 0.00 61.69 61.58 1xm5 s THR 3042Cb -0.08 -2.83 0.04 0.00 0.01 0.00 0.00 72.50 69.64 1xm5 s THR 3042CO 0.03 0.49 0.11 -0.51 -0.69 0.00 0.00 174.62 174.05 1xm5 s ILE 3043N -0.99 -0.18 -0.08 1.82 -1.16 -0.86 -0.85 121.20 118.91 1xm5 s ILE 3043Ca 0.16 0.36 0.05 0.00 -0.51 0.00 0.00 60.65 60.72 1xm5 s ILE 3043Cb -0.11 -0.24 -0.00 0.00 0.61 0.00 0.00 42.46 42.71 1xm5 s ILE 3043CO 0.06 0.14 -0.24 0.00 -2.81 0.00 0.00 174.94 172.09 1xm5 s ARG 3044N 2.23 2.76 -0.12 3.50 1.70 -0.16 -0.74 118.95 128.11 1xm5 s ARG 3044Ca 0.04 -0.87 -0.18 0.00 -0.47 0.00 0.00 55.73 54.25 1xm5 s ARG 3044Cb -0.12 -2.19 -0.04 0.00 -0.57 0.00 0.00 34.95 32.02 1xm5 s ARG 3044CO -0.05 0.27 0.46 0.08 -1.08 0.00 0.00 175.30 174.98 1xm5 s VAL 3045N 0.11 5.20 0.40 4.99 1.01 -0.42 -1.26 120.40 130.44 1xm5 s VAL 3045Ca -0.11 0.92 0.04 0.00 0.00 0.00 0.00 61.98 62.82 1xm5 s VAL 3045Cb -0.16 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 1xm5 s VAL 3045CO 0.06 0.33 0.15 0.68 0.00 0.00 0.00 175.10 176.33 1xm5 s VAL 3046N 0.61 0.48 0.19 2.92 -7.23 0.16 -1.31 120.40 116.23 1xm5 s VAL 3046Ca 0.25 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.46 1xm5 s VAL 3046Cb -0.15 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 1xm5 s VAL 3046CO 0.10 0.00 0.27 -1.81 -0.31 0.00 0.00 175.10 173.35 1xm5 s ASP 3047N -3.58 6.12 0.24 4.85 -0.00 -1.26 -1.69 116.67 121.35 1xm5 s ASP 3047Ca 0.26 0.05 -0.00 0.00 -0.00 0.00 0.00 52.55 52.86 1xm5 s ASP 3047Cb 0.02 -1.77 0.55 0.00 -0.00 0.00 0.00 42.92 41.72 1xm5 s ASP 3047CO 0.16 0.01 1.24 0.35 -0.00 0.00 0.00 175.17 176.94 1xm5 n THR 3048N -0.81 -0.33 0.20 -1.27 -2.24 -1.26 -1.65 114.28 106.91 1xm5 n THR 3048Ca -0.08 1.77 -0.16 0.00 -2.27 0.00 0.00 64.05 63.31 1xm5 n THR 3048Cb 0.55 -2.55 -0.08 0.00 -2.10 0.00 0.00 70.33 66.15 1xm5 n THR 3048CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xm5 h ALA 3049N 1.59 -0.89 -0.70 6.98 0.00 -1.98 0.44 119.26 124.70 1xm5 h ALA 3049Ca 0.46 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.27 1xm5 h ALA 3049Cb 0.89 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 1xm5 h ALA 3049CO -0.77 -1.05 0.44 1.49 0.00 0.00 0.00 179.25 179.36 1xm5 h GLU 3050N -0.80 0.84 0.11 0.00 4.81 -1.72 -0.07 114.58 117.76 1xm5 h GLU 3050Ca -0.02 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1xm5 h GLU 3050Cb 0.75 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1xm5 h GLU 3050CO -0.14 0.56 -0.05 1.03 -0.73 0.00 0.00 179.01 179.67 1xm5 h SER 3051N 0.86 -0.13 -0.39 1.04 0.87 -1.13 0.16 113.55 114.84 1xm5 h SER 3051Ca 0.28 -0.02 0.08 0.00 -1.23 0.00 0.00 61.79 60.90 1xm5 h SER 3051Cb 0.00 0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 61.91 1xm5 h SER 3051CO -0.10 -0.06 -0.19 -0.74 -0.53 0.00 0.00 176.83 175.21 1xm5 h HIS 3052N -0.18 -0.46 0.47 2.24 -0.00 0.28 0.27 115.15 117.78 1xm5 h HIS 3052Ca -0.02 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.38 1xm5 h HIS 3052Cb 0.14 0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 27.81 1xm5 h HIS 3052CO -0.06 -0.27 -0.28 1.03 -0.00 0.00 0.00 177.93 178.35 1xm5 h SER 3053N -0.11 -0.70 -0.61 3.26 0.87 -0.68 -0.71 113.55 114.87 1xm5 h SER 3053Ca 0.19 0.04 0.07 0.00 -1.23 0.00 0.00 61.79 60.86 1xm5 h SER 3053Cb 0.41 0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.52 1xm5 h SER 3053CO -0.46 -0.45 0.30 -0.07 -0.53 0.00 0.00 176.83 175.61 1xm5 h LEU 3054N -0.72 0.39 -0.81 2.23 -0.00 -0.19 -0.03 115.31 116.19 1xm5 h LEU 3054Ca -0.06 0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1xm5 h LEU 3054Cb 0.58 -0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 41.19 1xm5 h LEU 3054CO 0.06 0.25 0.40 -1.13 -0.00 0.00 0.00 178.44 178.02 1xm5 h ASN 3055N 0.54 1.05 0.09 -0.43 -1.24 -0.32 0.37 115.58 115.65 1xm5 h ASN 3055Ca 0.29 -0.13 -0.00 0.00 0.71 0.00 0.00 56.30 57.17 1xm5 h ASN 3055Cb 0.26 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.04 1xm5 h ASN 3055CO -0.23 0.89 -0.04 0.25 -1.29 0.00 0.00 177.43 177.01 1xm5 h LEU 3056N 1.15 -0.11 -1.38 0.34 5.85 -0.56 0.03 115.31 120.63 1xm5 h LEU 3056Ca 0.28 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1xm5 h LEU 3056Cb 0.10 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1xm5 h LEU 3056CO -0.04 0.33 -0.01 0.00 -0.34 0.00 0.00 178.44 178.38 1xm5 h THR 3057N -0.57 0.03 0.00 1.05 1.03 -0.91 -0.61 112.91 112.93 1xm5 h THR 3057Ca -0.01 -0.56 -0.04 0.00 -0.01 0.00 0.00 66.41 65.78 1xm5 h THR 3057Cb 0.46 1.55 -0.01 0.00 -1.07 0.00 0.00 68.15 69.08 1xm5 h THR 3057CO 0.02 0.01 -1.35 -1.22 -0.01 0.00 0.00 175.52 172.97 1xm5 n TYR 3058N -3.11 0.00 0.21 0.00 4.02 0.11 -4.68 117.16 113.72 1xm5 n TYR 3058Ca 0.01 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.92 1xm5 n TYR 3058Cb 0.32 -0.21 -0.02 0.00 -0.02 0.00 0.00 39.34 39.41 1xm5 n TYR 3058CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1xm5 n ARG 3059N -1.92 4.44 -3.29 -0.72 5.12 -0.12 -5.02 116.66 115.16 1xm5 n ARG 3059Ca -0.05 -0.15 -0.17 0.00 -1.93 0.00 0.00 57.85 55.55 1xm5 n ARG 3059Cb 0.38 -0.78 0.07 0.00 -1.16 0.00 0.00 32.46 30.96 1xm5 n ARG 3059CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xm5 n GLY 3060N 0.96 -0.23 2.89 -0.13 0.00 -0.24 -4.96 105.19 103.48 1xm5 n GLY 3060Ca 0.01 0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1xm5 n GLY 3060CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xm5 s LYS 3061N -5.71 1.41 -1.08 1.61 -0.14 -1.03 -4.94 119.74 109.87 1xm5 s LYS 3061Ca 0.30 -0.56 -0.22 0.00 -1.36 0.00 0.00 55.97 54.13 1xm5 s LYS 3061Cb -0.13 -2.07 -0.10 0.00 -1.68 0.00 0.00 37.83 33.84 1xm5 s LYS 3061CO 0.58 -0.46 1.92 -3.47 -0.76 0.00 0.00 175.35 173.17 1xm5 n ASP 3062N 4.86 2.99 0.00 2.83 -0.08 -1.26 -2.79 116.55 123.10 1xm5 n ASP 3062Ca -0.12 -2.70 0.00 0.00 -1.51 0.00 0.00 54.79 50.46 1xm5 n ASP 3062Cb 0.47 -1.58 0.00 0.00 2.34 0.00 0.00 41.12 42.36 1xm5 n ASP 3062CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1xm5 n LYS 3063N 7.95 0.00 -2.04 -0.67 2.85 -1.26 -5.06 118.16 119.93 1xm5 n LYS 3063Ca 0.46 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.42 1xm5 n LYS 3063Cb 0.45 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.84 1xm5 n LYS 3063CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1xm5 s PRO 3064N -2.00 3.54 0.30 -1.58 0.04 -1.26 -4.43 135.00 129.61 1xm5 s PRO 3064Ca 0.00 0.61 0.03 0.00 0.04 0.00 0.00 61.00 61.68 1xm5 s PRO 3064Cb 0.00 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1xm5 s PRO 3064CO 0.00 -0.52 0.12 0.95 0.04 0.00 0.00 177.00 177.59 1xm5 s THR 3065N -3.10 0.55 -0.01 1.26 -4.23 -1.26 -4.92 115.64 103.93 1xm5 s THR 3065Ca 0.54 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.83 1xm5 s THR 3065Cb -0.11 -2.57 -0.23 0.00 1.34 0.00 0.00 72.50 70.93 1xm5 s THR 3065CO 0.52 0.00 1.08 -0.55 -0.54 0.00 0.00 174.62 175.13 1xm5 h ASN 3066N 2.20 0.41 -3.35 3.99 7.08 -1.91 -3.35 115.58 120.65 1xm5 h ASN 3066Ca -0.36 -0.75 -0.37 0.00 -3.08 0.00 0.00 56.30 51.73 1xm5 h ASN 3066Cb 1.25 -0.13 -0.37 0.00 -2.08 0.00 0.00 38.32 36.99 1xm5 h ASN 3066CO 0.58 1.11 -0.75 -0.69 -2.08 0.00 0.00 177.43 175.60 1xm5 s VAL 3067N -3.22 0.05 -0.19 6.14 1.01 -1.26 -1.57 120.40 121.36 1xm5 s VAL 3067Ca -0.14 0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.06 1xm5 s VAL 3067Cb 0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 1xm5 s VAL 3067CO 0.79 0.18 0.05 -0.76 0.00 0.00 0.00 175.10 175.36 1xm5 s LEU 3068N 1.83 3.61 -0.25 3.92 1.02 0.59 -4.94 118.68 124.45 1xm5 s LEU 3068Ca 0.01 -0.03 -0.06 0.00 0.02 0.00 0.00 54.13 54.07 1xm5 s LEU 3068Cb -0.12 -1.92 -0.01 0.00 0.02 0.00 0.00 46.19 44.15 1xm5 s LEU 3068CO -0.03 0.12 0.04 -0.44 0.02 0.00 0.00 176.35 176.06 1xm5 s SER 3069N 0.69 4.91 -0.71 2.29 0.01 -1.26 -0.72 113.70 118.92 1xm5 s SER 3069Ca 0.02 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1xm5 s SER 3069Cb -0.13 -1.86 0.18 0.00 0.21 0.00 0.00 66.02 64.41 1xm5 s SER 3069CO 0.02 -0.07 0.53 -0.36 0.41 0.00 0.00 173.24 173.76 1xm5 s PHE 3070N 1.55 3.55 0.12 2.43 0.40 0.02 -5.00 117.98 121.05 1xm5 s PHE 3070Ca 0.05 -3.01 -0.31 0.00 -0.60 0.00 0.00 56.93 53.06 1xm5 s PHE 3070Cb -0.15 -3.06 -0.08 0.00 0.51 0.00 0.00 43.02 40.24 1xm5 s PHE 3070CO 0.01 -0.73 1.34 -1.25 0.70 0.00 0.00 175.22 175.29 1xm5 s PRO 3071N -0.78 4.35 0.07 0.24 0.04 -1.26 -1.19 135.00 136.47 1xm5 s PRO 3071Ca 0.22 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 1xm5 s PRO 3071Cb -0.14 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 1xm5 s PRO 3071CO -0.08 -0.37 1.15 -0.06 0.04 0.00 0.00 177.00 177.68 1xm5 s PHE 3072N 0.92 3.50 -0.05 0.56 0.40 -0.01 -4.93 117.98 118.36 1xm5 s PHE 3072Ca 0.62 1.41 -0.21 0.00 -0.60 0.00 0.00 56.93 58.15 1xm5 s PHE 3072Cb -0.35 -3.35 -0.05 0.00 0.51 0.00 0.00 43.02 39.78 1xm5 s PHE 3072CO 0.31 -0.98 0.60 -1.21 0.70 0.00 0.00 175.22 174.65 1xm5 s GLU 3073N 0.87 4.36 -0.26 0.44 2.02 -1.26 -4.87 118.70 120.00 1xm5 s GLU 3073Ca 0.56 0.71 -0.19 0.00 0.02 0.00 0.00 54.97 56.07 1xm5 s GLU 3073Cb -0.28 -3.40 -0.02 0.00 0.10 0.00 0.00 34.13 30.53 1xm5 s GLU 3073CO 0.30 0.22 0.56 0.08 0.02 0.00 0.00 175.26 176.44 1xm5 s VAL 3074N 0.31 5.04 0.23 2.63 1.01 -1.26 -5.02 120.40 123.35 1xm5 s VAL 3074Ca 0.32 0.98 -0.31 0.00 0.00 0.00 0.00 61.98 62.96 1xm5 s VAL 3074Cb -0.17 -3.87 -0.13 0.00 0.00 0.00 0.00 36.38 32.20 1xm5 s VAL 3074CO 0.16 0.06 1.41 -2.65 0.00 0.00 0.00 175.10 174.08 1xm5 n PRO 3075N 5.61 2.03 -1.58 2.72 -0.02 -1.26 -4.80 135.00 137.70 1xm5 n PRO 3075Ca -0.03 0.72 -0.58 0.00 -2.02 0.00 0.00 63.50 61.60 1xm5 n PRO 3075Cb 0.49 -2.38 -0.07 0.00 -0.02 0.00 0.00 33.50 31.51 1xm5 n PRO 3075CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xm5 n PRO 3076N 2.10 0.50 -2.31 0.52 -0.02 -1.26 -2.64 135.00 131.88 1xm5 n PRO 3076Ca 0.12 0.18 -0.06 0.00 -2.02 0.00 0.00 63.50 61.72 1xm5 n PRO 3076Cb 0.31 -1.75 0.03 0.00 -0.02 0.00 0.00 33.50 32.08 1xm5 n PRO 3076CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xm5 n GLY 3077N 2.43 0.13 3.39 -1.23 0.00 -1.26 -5.07 105.19 103.57 1xm5 n GLY 3077Ca 0.22 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 1xm5 n GLY 3077CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xm5 s MET 3078N -3.89 0.67 -0.31 1.61 -1.94 -1.08 -5.13 119.30 109.23 1xm5 s MET 3078Ca 0.11 0.48 -0.16 0.00 -1.71 0.00 0.00 55.69 54.41 1xm5 s MET 3078Cb -0.01 0.32 -0.02 0.00 2.01 0.00 0.00 34.83 37.13 1xm5 s MET 3078CO 0.28 -0.13 0.44 -1.21 -0.01 0.00 0.00 175.02 174.39 1xm5 s GLU 3079N -0.22 3.78 0.00 2.03 0.41 -1.26 -4.88 118.70 118.56 1xm5 s GLU 3079Ca -0.04 -0.10 0.02 0.00 -0.41 0.00 0.00 54.97 54.44 1xm5 s GLU 3079Cb -0.03 -3.74 -0.01 0.00 -1.78 0.00 0.00 34.13 28.56 1xm5 s GLU 3079CO 0.03 -0.48 -0.06 1.41 -0.49 0.00 0.00 175.26 175.67 1xm5 s MET 3080N 2.21 0.48 -0.07 1.61 1.75 -1.26 -5.03 119.30 118.98 1xm5 s MET 3080Ca 0.16 -0.31 0.14 0.00 -1.25 0.00 0.00 55.69 54.43 1xm5 s MET 3080Cb -0.16 -0.42 -0.20 0.00 2.84 0.00 0.00 34.83 36.89 1xm5 s MET 3080CO 0.11 0.11 0.20 -1.13 -0.65 0.00 0.00 175.02 173.66 1xm5 n SER 3081N 2.66 1.65 -4.67 1.11 3.41 -1.26 -4.96 113.62 111.57 1xm5 n SER 3081Ca -0.15 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.04 1xm5 n SER 3081Cb 0.57 1.30 -0.03 0.00 -0.26 0.00 0.00 64.21 65.79 1xm5 n SER 3081CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1xm5 s LEU 3082N -4.46 4.40 -0.07 1.04 0.20 -1.26 -2.80 118.68 115.73 1xm5 s LEU 3082Ca -0.06 2.55 0.10 0.00 0.69 0.00 0.00 54.13 57.41 1xm5 s LEU 3082Cb 0.07 -3.54 -0.24 0.00 -0.43 0.00 0.00 46.19 42.06 1xm5 s LEU 3082CO 0.59 -1.00 0.54 0.18 -0.29 0.00 0.00 176.35 176.36 1xm5 n LEU 3083N 7.09 1.09 0.00 -0.68 4.77 -0.83 -4.74 117.00 123.70 1xm5 n LEU 3083Ca 0.19 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 1xm5 n LEU 3083Cb 0.41 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1xm5 n LEU 3083CO 0.66 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 1xm5 n GLY 3084N 1.65 0.95 3.33 -0.72 0.00 -1.26 -0.83 105.19 108.30 1xm5 n GLY 3084Ca -0.21 -1.92 -0.18 0.00 0.00 0.00 0.00 46.02 43.70 1xm5 n GLY 3084CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xm5 s ASP 3085N -4.00 2.48 -0.12 1.61 1.01 -0.34 -2.21 116.67 115.10 1xm5 s ASP 3085Ca 0.00 -0.98 0.01 0.00 0.71 0.00 0.00 52.55 52.28 1xm5 s ASP 3085Cb 0.00 -0.12 0.02 0.00 1.01 0.00 0.00 42.92 43.83 1xm5 s ASP 3085CO 0.00 -0.17 -0.13 -0.76 0.21 0.00 0.00 175.17 174.32 1xm5 s LEU 3086N -3.16 1.61 -0.32 1.23 1.43 -0.03 -0.80 118.68 118.65 1xm5 s LEU 3086Ca 0.20 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.83 1xm5 s LEU 3086Cb -0.01 -1.06 0.04 0.00 0.03 0.00 0.00 46.19 45.18 1xm5 s LEU 3086CO 0.06 -0.03 0.07 -0.69 0.23 0.00 0.00 176.35 175.99 1xm5 s VAL 3087N 1.25 3.56 -0.16 -1.59 1.01 0.10 -0.99 120.40 123.59 1xm5 s VAL 3087Ca -0.01 -1.13 -0.03 0.00 0.00 0.00 0.00 61.98 60.81 1xm5 s VAL 3087Cb -0.14 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 1xm5 s VAL 3087CO -0.05 -0.10 -0.06 -0.63 0.00 0.00 0.00 175.10 174.25 1xm5 s ILE 3088N 1.38 3.61 -0.33 2.22 1.01 -0.39 -0.30 121.20 128.39 1xm5 s ILE 3088Ca -0.02 -0.45 -0.19 0.00 0.00 0.00 0.00 60.65 59.98 1xm5 s ILE 3088Cb -0.19 -2.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.70 1xm5 s ILE 3088CO 0.01 0.49 0.58 0.00 0.00 0.00 0.00 174.94 176.02 1xm5 h ARG 3090N 8.35 0.91 0.22 0.00 0.11 -1.66 -2.22 114.38 120.09 1xm5 h ARG 3090Ca -0.27 -0.09 -0.01 0.00 0.10 0.00 0.00 59.98 59.71 1xm5 h ARG 3090Cb 1.12 -0.19 0.00 0.00 1.11 0.00 0.00 29.97 32.02 1xm5 h ARG 3090CO 0.79 0.66 -0.10 1.96 0.10 0.00 0.00 179.97 183.37 1xm5 h GLN 3091N 0.92 -0.28 -0.17 0.08 7.50 -1.93 -1.30 115.11 119.92 1xm5 h GLN 3091Ca 0.24 0.02 0.02 0.00 0.50 0.00 0.00 58.65 59.42 1xm5 h GLN 3091Cb 0.00 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.58 1xm5 h GLN 3091CO -0.04 -0.17 0.05 0.28 -1.50 0.00 0.00 178.83 177.45 1xm5 h VAL 3092N -0.31 0.96 -0.63 -0.54 2.07 -1.84 -1.05 116.25 114.91 1xm5 h VAL 3092Ca -0.03 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1xm5 h VAL 3092Cb 0.23 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1xm5 h VAL 3092CO 0.05 0.02 0.35 0.58 0.02 0.00 0.00 177.57 178.59 1xm5 h VAL 3093N 0.13 0.97 -0.53 2.57 2.07 -1.31 0.38 116.25 120.54 1xm5 h VAL 3093Ca 0.07 -0.22 -0.12 0.00 0.82 0.00 0.00 66.70 67.25 1xm5 h VAL 3093Cb 0.05 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1xm5 h VAL 3093CO -0.08 0.12 -0.13 -0.33 0.02 0.00 0.00 177.57 177.17 1xm5 h GLU 3094N 0.65 1.02 -0.23 1.57 5.08 -0.99 -1.74 114.58 119.94 1xm5 h GLU 3094Ca 0.28 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1xm5 h GLU 3094Cb 0.16 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1xm5 h GLU 3094CO -0.17 1.08 -0.05 0.87 -1.00 0.00 0.00 179.01 179.74 1xm5 h LYS 3095N 0.89 0.44 -0.28 2.33 1.57 -0.81 -2.59 116.57 118.12 1xm5 h LYS 3095Ca 0.13 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1xm5 h LYS 3095Cb 0.71 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1xm5 h LYS 3095CO 0.05 0.67 0.14 0.93 -0.57 0.00 0.00 179.45 180.68 1xm5 h GLU 3096N 0.18 0.39 -0.28 3.15 5.08 -0.90 -0.35 114.58 121.85 1xm5 h GLU 3096Ca 0.06 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1xm5 h GLU 3096Cb 0.50 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1xm5 h GLU 3096CO 0.02 0.36 0.19 0.00 -1.00 0.00 0.00 179.01 178.58 1xm5 h ALA 3097N 1.01 2.08 0.04 3.43 0.00 -1.31 0.15 119.26 124.65 1xm5 h ALA 3097Ca 0.10 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 1xm5 h ALA 3097Cb 0.09 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.87 1xm5 h ALA 3097CO -0.01 -0.14 -0.89 0.37 0.00 0.00 0.00 179.25 178.58 1xm5 h GLN 3098N 0.14 0.54 -0.02 0.00 4.15 -0.99 -0.87 115.11 118.07 1xm5 h GLN 3098Ca 0.12 -0.63 -0.11 0.00 0.77 0.00 0.00 58.65 58.80 1xm5 h GLN 3098Cb 0.31 0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 1xm5 h GLN 3098CO -0.02 1.25 -0.52 0.93 -1.93 0.00 0.00 178.83 178.54 1xm5 h GLU 3099N 0.10 0.05 -0.38 1.69 5.08 -0.18 -2.96 114.58 117.98 1xm5 h GLU 3099Ca -0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1xm5 h GLU 3099Cb 1.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.84 1xm5 h GLU 3099CO 0.17 0.56 0.00 1.04 -1.00 0.00 0.00 179.01 179.78 1xm5 n GLN 3100N -3.92 2.38 -3.97 2.33 6.02 0.44 -4.97 117.38 115.69 1xm5 n GLN 3100Ca -0.02 -2.09 -0.30 0.00 -0.01 0.00 0.00 57.00 54.58 1xm5 n GLN 3100Cb 0.54 -1.49 0.01 0.00 1.02 0.00 0.00 30.24 30.31 1xm5 n GLN 3100CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xm5 n GLY 3101N 1.45 -0.43 3.67 1.08 0.00 -0.89 -4.98 105.19 105.08 1xm5 n GLY 3101Ca 0.19 0.17 -0.25 0.00 0.00 0.00 0.00 46.02 46.12 1xm5 n GLY 3101CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xm5 s LYS 3102N -6.61 2.42 0.09 1.61 1.02 -0.38 -5.04 119.74 112.84 1xm5 s LYS 3102Ca 0.54 -1.17 -0.31 0.00 0.02 0.00 0.00 55.97 55.05 1xm5 s LYS 3102Cb -0.28 -2.33 -0.09 0.00 -0.52 0.00 0.00 37.83 34.61 1xm5 s LYS 3102CO 0.86 0.43 1.71 -2.14 -0.92 0.00 0.00 175.35 175.29 1xm5 s PRO 3103N -3.18 4.18 0.35 -1.68 0.02 -1.26 -4.65 135.00 128.77 1xm5 s PRO 3103Ca 0.29 2.42 0.15 0.00 0.02 0.00 0.00 61.00 63.87 1xm5 s PRO 3103Cb -0.08 -3.60 1.07 0.00 0.02 0.00 0.00 34.50 31.90 1xm5 s PRO 3103CO 0.19 -0.77 1.68 1.25 -0.33 0.00 0.00 177.00 179.02 1xm5 h LEU 3104N 8.60 0.53 -0.48 -5.54 5.85 -1.97 0.25 115.31 122.56 1xm5 h LEU 3104Ca -0.44 0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.37 1xm5 h LEU 3104Cb 1.21 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 1xm5 h LEU 3104CO 0.94 -0.07 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.88 1xm5 h GLU 3105N 0.37 0.85 -0.25 1.25 4.81 -2.00 -2.13 114.58 117.48 1xm5 h GLU 3105Ca 0.71 -0.28 -0.06 0.00 -0.13 0.00 0.00 59.36 59.60 1xm5 h GLU 3105Cb 1.62 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.91 1xm5 h GLU 3105CO -0.55 0.90 -0.12 0.00 -0.73 0.00 0.00 179.01 178.51 1xm5 h ALA 3106N 0.92 1.32 -0.18 2.92 0.00 -0.92 -1.97 119.26 121.36 1xm5 h ALA 3106Ca 0.14 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 1xm5 h ALA 3106Cb 0.52 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xm5 h ALA 3106CO 0.03 0.46 -0.67 1.25 0.00 0.00 0.00 179.25 180.31 1xm5 h HIS 3107N 0.39 0.93 0.32 0.00 -0.00 -1.09 -2.09 115.15 113.61 1xm5 h HIS 3107Ca 0.08 -0.38 -0.01 0.00 -0.00 0.00 0.00 60.37 60.06 1xm5 h HIS 3107Cb 0.46 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.41 27.70 1xm5 h HIS 3107CO 0.01 1.18 -0.19 -1.49 -0.00 0.00 0.00 177.93 177.44 1xm5 h TRP 3108N 0.51 -0.49 -0.80 5.26 4.06 -1.13 -0.32 115.95 123.04 1xm5 h TRP 3108Ca -0.02 -0.01 0.16 0.00 2.06 0.00 0.00 58.89 61.08 1xm5 h TRP 3108Cb 1.27 0.18 -0.10 0.00 -1.00 0.00 0.00 29.16 29.51 1xm5 h TRP 3108CO 0.07 -0.30 0.34 0.00 -3.56 0.00 0.00 178.44 174.99 1xm5 h ALA 3109N 0.18 1.17 -0.67 1.49 0.00 -1.35 0.11 119.26 120.19 1xm5 h ALA 3109Ca -0.03 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xm5 h ALA 3109Cb 0.40 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1xm5 h ALA 3109CO 0.04 -0.21 0.42 1.25 0.00 0.00 0.00 179.25 180.74 1xm5 h HIS 3110N 0.46 0.87 -0.07 0.00 -0.00 -0.87 0.14 115.15 115.68 1xm5 h HIS 3110Ca 0.45 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.84 1xm5 h HIS 3110Cb 0.71 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.82 1xm5 h HIS 3110CO -0.15 0.58 -0.04 0.52 -0.00 0.00 0.00 177.93 178.84 1xm5 h MET 3111N 0.91 -0.03 0.00 5.26 2.07 0.95 0.48 114.93 124.56 1xm5 h MET 3111Ca 0.24 0.00 -0.06 0.00 -2.07 0.00 0.00 59.70 57.82 1xm5 h MET 3111Cb -0.05 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.68 1xm5 h MET 3111CO -0.05 -0.02 -0.27 -0.39 1.07 0.00 0.00 176.91 177.25 1xm5 h VAL 3112N -0.04 0.57 -0.01 -2.22 -1.51 -1.05 0.12 116.25 112.11 1xm5 h VAL 3112Ca 0.04 -1.36 -0.02 0.00 -1.23 0.00 0.00 66.70 64.14 1xm5 h VAL 3112Cb 0.10 1.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 1xm5 h VAL 3112CO -0.09 0.26 -0.06 0.58 -1.23 0.00 0.00 177.57 177.03 1xm5 h VAL 3113N 0.00 1.55 0.10 7.19 2.07 -0.48 0.27 116.25 126.95 1xm5 h VAL 3113Ca -0.00 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 65.83 1xm5 h VAL 3113Cb 0.92 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1xm5 h VAL 3113CO 0.03 0.45 -0.05 -0.74 0.02 0.00 0.00 177.57 177.28 1xm5 h HIS 3114N -0.63 -0.12 -0.25 1.57 6.17 -0.02 -1.42 115.15 120.45 1xm5 h HIS 3114Ca -0.00 -0.00 0.05 0.00 0.71 0.00 0.00 60.37 61.12 1xm5 h HIS 3114Cb 0.76 0.04 -0.04 0.00 2.52 0.00 0.00 27.41 30.69 1xm5 h HIS 3114CO 0.17 -0.03 -0.02 0.78 0.71 0.00 0.00 177.93 179.54 1xm5 h GLY 3115N -0.19 0.22 0.80 5.26 0.00 -0.83 -1.53 103.07 106.80 1xm5 h GLY 3115Ca -0.01 0.05 0.09 0.00 0.00 0.00 0.00 47.33 47.45 1xm5 h GLY 3115CO 0.02 -0.07 0.56 1.76 0.00 0.00 0.00 176.54 178.81 1xm5 h SER 3116N 0.05 0.79 -0.48 0.19 0.02 -0.75 -0.40 113.55 112.95 1xm5 h SER 3116Ca 0.12 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1xm5 h SER 3116Cb 0.17 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1xm5 h SER 3116CO -0.22 0.48 0.17 -0.07 -1.14 0.00 0.00 176.83 176.04 1xm5 h LEU 3117N 0.88 0.69 -1.28 5.07 4.07 -0.31 -1.81 115.31 122.61 1xm5 h LEU 3117Ca 0.39 -0.19 0.05 0.00 0.08 0.00 0.00 57.88 58.21 1xm5 h LEU 3117Cb 0.36 -0.18 -0.05 0.00 1.08 0.00 0.00 40.66 41.87 1xm5 h LEU 3117CO -0.16 0.70 0.51 0.45 -1.08 0.00 0.00 178.44 178.86 1xm5 h HIS 3118N 0.65 0.89 0.00 1.13 3.86 -0.30 0.12 115.15 121.49 1xm5 h HIS 3118Ca 0.16 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.35 1xm5 h HIS 3118Cb 0.24 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 1xm5 h HIS 3118CO 0.01 0.50 -0.19 -0.07 0.86 0.00 0.00 177.93 179.04 1xm5 h LEU 3119N 0.90 0.00 -1.31 2.43 4.07 -0.35 -2.32 115.31 118.73 1xm5 h LEU 3119Ca 0.32 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.28 1xm5 h LEU 3119Cb 0.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.87 1xm5 h LEU 3119CO -0.10 0.19 0.00 0.18 -1.08 0.00 0.00 178.44 177.63 1xm5 n LEU 3120N -4.31 1.91 0.00 1.67 4.77 -0.03 -4.85 117.00 116.16 1xm5 n LEU 3120Ca -0.02 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 1xm5 n LEU 3120Cb 0.25 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1xm5 n LEU 3120CO 0.36 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1xm5 n GLY 3121N 1.01 0.60 3.85 -0.72 0.00 -0.87 -5.07 105.19 103.99 1xm5 n GLY 3121Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1xm5 n GLY 3121CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xm5 s TYR 3122N -2.16 3.40 0.23 1.61 1.51 -0.83 -5.00 117.35 116.12 1xm5 s TYR 3122Ca 0.00 1.21 -0.07 0.00 -1.01 0.00 0.00 57.07 57.19 1xm5 s TYR 3122Cb 0.00 -2.54 -0.02 0.00 -0.11 0.00 0.00 41.96 39.29 1xm5 s TYR 3122CO 0.00 -0.00 0.33 0.34 -1.11 0.00 0.00 175.55 175.11 1xm5 s ASP 3123N -2.56 0.07 -0.29 2.29 -1.08 -1.26 -4.12 116.67 109.72 1xm5 s ASP 3123Ca 0.54 -1.15 0.20 0.00 -0.52 0.00 0.00 52.55 51.62 1xm5 s ASP 3123Cb -0.10 0.51 0.49 0.00 -1.46 0.00 0.00 42.92 42.35 1xm5 s ASP 3123CO 0.22 -1.03 1.04 0.00 0.52 0.00 0.00 175.17 175.92 1xm5 n HIS 3124N -0.35 1.28 -0.03 -5.34 1.44 -1.26 -3.84 115.22 107.13 1xm5 n HIS 3124Ca 0.00 -2.44 -0.22 0.00 -2.01 0.00 0.00 57.72 53.05 1xm5 n HIS 3124Cb 0.64 -0.30 -0.13 0.00 0.12 0.00 0.00 29.99 30.32 1xm5 n HIS 3124CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 1xm5 n ILE 3125N -0.36 1.70 -3.14 0.61 -5.35 -1.26 -4.69 119.36 106.87 1xm5 n ILE 3125Ca 0.09 -0.48 -0.39 0.00 -0.27 0.00 0.00 62.75 61.70 1xm5 n ILE 3125Cb 0.81 -1.81 -0.05 0.00 -1.74 0.00 0.00 39.64 36.85 1xm5 n ILE 3125CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1xm5 s GLU 3126N -2.50 4.39 0.33 6.28 0.41 -1.26 -4.94 118.70 121.40 1xm5 s GLU 3126Ca -0.25 0.72 0.12 0.00 -0.41 0.00 0.00 54.97 55.15 1xm5 s GLU 3126Cb 0.07 -3.45 1.00 0.00 -1.78 0.00 0.00 34.13 29.96 1xm5 s GLU 3126CO 0.71 0.07 1.67 -0.44 -0.49 0.00 0.00 175.26 176.78 1xm5 h ASP 3127N 6.80 0.48 -0.16 -0.19 5.19 -1.98 0.50 116.42 127.06 1xm5 h ASP 3127Ca -0.40 0.18 -0.14 0.00 -0.62 0.00 0.00 57.03 56.05 1xm5 h ASP 3127Cb 1.19 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.83 1xm5 h ASP 3127CO 0.76 -0.09 -0.45 -2.24 -3.12 0.00 0.00 179.24 174.10 1xm5 h ASP 3128N 0.36 0.67 -0.65 6.45 2.03 -1.99 -1.15 116.42 122.14 1xm5 h ASP 3128Ca 0.69 -0.59 -0.02 0.00 -0.73 0.00 0.00 57.03 56.39 1xm5 h ASP 3128Cb 1.51 -0.20 -0.03 0.00 -0.83 0.00 0.00 39.33 39.79 1xm5 h ASP 3128CO -0.59 1.14 0.33 -0.08 -1.03 0.00 0.00 179.24 179.02 1xm5 h GLU 3129N 0.24 0.92 -0.40 4.15 4.81 -1.22 -2.40 114.58 120.67 1xm5 h GLU 3129Ca -0.01 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 58.94 1xm5 h GLU 3129Cb 1.07 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1xm5 h GLU 3129CO 0.10 0.72 -0.36 0.00 -0.73 0.00 0.00 179.01 178.73 1xm5 h ALA 3130N 1.16 0.59 -0.97 2.92 0.00 -0.13 -2.55 119.26 120.28 1xm5 h ALA 3130Ca 0.23 -0.45 0.09 0.00 0.00 0.00 0.00 54.91 54.78 1xm5 h ALA 3130Cb 0.08 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 1xm5 h ALA 3130CO -0.03 0.68 0.61 1.49 0.00 0.00 0.00 179.25 181.99 1xm5 h GLU 3131N 0.78 1.00 -0.34 0.00 4.57 -0.93 0.75 114.58 120.42 1xm5 h GLU 3131Ca 0.07 -0.06 -0.13 0.00 -1.18 0.00 0.00 59.36 58.06 1xm5 h GLU 3131Cb 0.95 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 1xm5 h GLU 3131CO 0.09 0.66 -0.31 1.49 -1.18 0.00 0.00 179.01 179.77 1xm5 h GLU 3132N 1.03 0.80 0.02 1.92 4.81 -1.30 -2.36 114.58 119.51 1xm5 h GLU 3132Ca 0.45 -0.41 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1xm5 h GLU 3132Cb 0.34 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1xm5 h GLU 3132CO -0.22 1.05 -0.01 1.98 -0.73 0.00 0.00 179.01 181.07 1xm5 h MET 3133N 0.58 -0.03 -0.83 1.92 4.05 -0.95 -2.66 114.93 117.01 1xm5 h MET 3133Ca 0.06 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.50 1xm5 h MET 3133Cb 0.89 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.65 1xm5 h MET 3133CO 0.08 0.34 0.55 0.93 0.23 0.00 0.00 176.91 179.03 1xm5 h GLU 3134N -0.40 1.06 -0.39 0.39 5.08 -0.95 0.31 114.58 119.68 1xm5 h GLU 3134Ca -0.00 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1xm5 h GLU 3134Cb 0.38 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1xm5 h GLU 3134CO 0.00 0.70 0.10 0.00 -1.00 0.00 0.00 179.01 178.82 1xm5 h ALA 3135N 1.49 0.44 -0.48 3.43 0.00 -1.36 0.18 119.26 122.96 1xm5 h ALA 3135Ca 0.31 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1xm5 h ALA 3135Cb -0.08 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1xm5 h ALA 3135CO -0.08 -0.30 0.17 -0.07 0.00 0.00 0.00 179.25 178.97 1xm5 h LEU 3136N 0.24 0.69 0.00 0.00 3.38 -0.90 -1.71 115.31 117.01 1xm5 h LEU 3136Ca 0.19 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1xm5 h LEU 3136Cb 0.20 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1xm5 h LEU 3136CO -0.22 0.70 -0.06 -0.33 0.09 0.00 0.00 178.44 178.62 1xm5 h GLU 3137N 0.65 -0.10 -0.20 1.13 5.08 -0.29 0.55 114.58 121.39 1xm5 h GLU 3137Ca 0.16 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 1xm5 h GLU 3137Cb 0.24 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.45 1xm5 h GLU 3137CO -0.01 -0.07 -0.25 1.15 -1.00 0.00 0.00 179.01 178.83 1xm5 h THR 3138N -0.11 0.38 0.18 1.13 2.02 -0.54 0.14 112.91 116.11 1xm5 h THR 3138Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1xm5 h THR 3138Cb 0.14 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 1xm5 h THR 3138CO -0.06 0.00 -0.38 -0.08 0.37 0.00 0.00 175.52 175.37 1xm5 h GLU 3139N -0.28 -0.58 -0.67 6.66 4.81 -0.92 -0.68 114.58 122.92 1xm5 h GLU 3139Ca 0.12 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.52 1xm5 h GLU 3139Cb 0.47 0.13 -0.09 0.00 0.63 0.00 0.00 28.75 29.89 1xm5 h GLU 3139CO -0.37 -0.39 0.20 0.82 -0.73 0.00 0.00 179.01 178.55 1xm5 h ILE 3140N -0.60 0.64 -0.60 2.32 1.08 -0.64 -1.26 117.51 118.45 1xm5 h ILE 3140Ca -0.02 -0.12 -0.00 0.00 -0.39 0.00 0.00 64.86 64.33 1xm5 h ILE 3140Cb 0.57 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 34.57 1xm5 h ILE 3140CO -0.15 0.06 0.36 0.24 -0.69 0.00 0.00 178.15 177.97 1xm5 h MET 3141N 0.34 0.81 -0.53 2.37 2.86 -0.43 -2.34 114.93 118.02 1xm5 h MET 3141Ca 0.36 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.86 1xm5 h MET 3141Cb 0.54 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1xm5 h MET 3141CO -0.41 0.58 0.06 -0.07 1.06 0.00 0.00 176.91 178.14 1xm5 h LEU 3142N 0.81 0.86 -1.70 1.22 3.38 -0.49 -1.61 115.31 117.78 1xm5 h LEU 3142Ca 0.21 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1xm5 h LEU 3142Cb -0.02 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1xm5 h LEU 3142CO -0.04 0.92 0.00 0.00 0.09 0.00 0.00 178.44 179.40 1xm5 h ALA 3143N 0.97 1.00 -0.00 1.53 0.00 -0.92 -0.10 119.26 121.74 1xm5 h ALA 3143Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xm5 h ALA 3143Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xm5 h ALA 3143CO 0.01 0.00 -0.74 1.28 0.00 0.00 0.00 179.25 179.80 1xm5 n LEU 3144N -2.47 0.93 0.00 0.00 4.77 -0.66 -4.96 117.00 114.61 1xm5 n LEU 3144Ca -0.01 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1xm5 n LEU 3144Cb 0.08 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1xm5 n LEU 3144CO 0.14 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1xm5 n GLY 3145N 1.48 0.90 3.70 -0.72 0.00 -0.05 -5.09 105.19 105.42 1xm5 n GLY 3145Ca 0.05 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 1xm5 n GLY 3145CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xm5 s TYR 3146N -2.00 2.76 0.68 1.61 2.02 -0.89 -5.04 117.35 116.49 1xm5 s TYR 3146Ca 0.00 -0.26 -0.12 0.00 -0.37 0.00 0.00 57.07 56.32 1xm5 s TYR 3146Cb 0.00 -1.37 0.00 0.00 -0.40 0.00 0.00 41.96 40.20 1xm5 s TYR 3146CO 0.00 0.52 1.07 -1.83 -1.57 0.00 0.00 175.55 173.73 1xm5 s GLU 3147N -3.75 2.93 -0.18 -0.62 1.03 -1.26 -3.97 118.70 112.88 1xm5 s GLU 3147Ca 0.34 1.08 -0.29 0.00 0.03 0.00 0.00 54.97 56.12 1xm5 s GLU 3147Cb -0.05 -1.99 -0.04 0.00 -0.80 0.00 0.00 34.13 31.26 1xm5 s GLU 3147CO 0.22 -1.11 1.67 0.34 -1.33 0.00 0.00 175.26 175.04 1xm5 s ASP 3148N -3.40 6.39 0.20 0.83 2.15 -1.26 -4.76 116.67 116.81 1xm5 s ASP 3148Ca 0.60 1.80 0.13 0.00 0.43 0.00 0.00 52.55 55.52 1xm5 s ASP 3148Cb -0.15 -2.53 0.72 0.00 -0.30 0.00 0.00 42.92 40.65 1xm5 s ASP 3148CO 0.50 -1.22 1.41 -0.81 -0.17 0.00 0.00 175.17 174.88 1xm5 n PRO 3149N 7.60 0.09 0.00 4.34 -0.04 -1.26 -5.11 135.00 140.61 1xm5 n PRO 3149Ca 0.19 0.58 0.04 0.00 -0.04 0.00 0.00 63.50 64.27 1xm5 n PRO 3149Cb 0.45 -1.78 0.03 0.00 -0.04 0.00 0.00 33.50 32.16 1xm5 n PRO 3149CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12