#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ynt s LEU 3004N 0.00 3.71 -0.37 1.53 1.02 -1.26 -5.01 118.68 118.30 1ynt s LEU 3004Ca 0.00 0.07 -0.04 0.00 0.02 0.00 0.00 54.13 54.18 1ynt s LEU 3004Cb 0.00 -1.92 0.20 0.00 0.02 0.00 0.00 46.19 44.49 1ynt s LEU 3004CO 0.00 0.21 1.00 0.54 0.02 0.00 0.00 176.35 178.12 1ynt s VAL 3005N 0.14 -0.38 0.23 -1.59 0.11 -1.26 -4.06 120.40 113.58 1ynt s VAL 3005Ca 0.03 -0.28 0.07 0.00 -2.93 0.00 0.00 61.98 58.87 1ynt s VAL 3005Cb -0.13 0.00 -0.04 0.00 -1.53 0.00 0.00 36.38 34.69 1ynt s VAL 3005CO 0.01 0.00 0.13 0.00 -3.33 0.00 0.00 175.10 171.91 1ynt s ALA 3006N 1.21 3.47 -0.61 1.54 0.00 -1.24 -4.57 121.76 121.55 1ynt s ALA 3006Ca 0.22 -1.42 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 1ynt s ALA 3006Cb 0.08 -1.19 0.03 0.00 0.00 0.00 0.00 23.12 22.04 1ynt s ALA 3006CO -0.10 0.33 0.10 0.09 0.00 0.00 0.00 175.76 176.18 1ynt n ASN 3007N -0.85 -2.26 -3.30 0.00 4.13 -1.26 0.12 115.26 111.84 1ynt n ASN 3007Ca -0.08 0.17 -0.23 0.00 1.68 0.00 0.00 54.58 56.13 1ynt n ASN 3007Cb 0.57 -1.99 0.06 0.00 -1.54 0.00 0.00 39.78 36.88 1ynt n ASN 3007CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ynt n GLN 3008N -2.86 -6.69 -3.93 3.52 1.13 -1.26 -4.79 117.38 102.50 1ynt n GLN 3008Ca -0.04 0.83 -0.30 0.00 -1.94 0.00 0.00 57.00 55.55 1ynt n GLN 3008Cb 0.53 -5.75 -0.15 0.00 0.11 0.00 0.00 30.24 24.99 1ynt n GLN 3008CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1ynt s VAL 3009N -3.26 2.10 0.23 5.09 1.01 0.33 -2.90 120.40 123.00 1ynt s VAL 3009Ca 0.47 -2.53 -0.30 0.00 0.00 0.00 0.00 61.98 59.62 1ynt s VAL 3009Cb -0.21 -2.52 -0.09 0.00 0.00 0.00 0.00 36.38 33.56 1ynt s VAL 3009CO 0.58 -0.70 1.35 -0.69 0.00 0.00 0.00 175.10 175.64 1ynt s VAL 3010N 0.59 3.01 -0.17 2.92 1.01 -0.16 -3.69 120.40 123.91 1ynt s VAL 3010Ca 0.13 0.85 -0.01 0.00 0.00 0.00 0.00 61.98 62.95 1ynt s VAL 3010Cb -0.21 -3.54 0.05 0.00 0.00 0.00 0.00 36.38 32.67 1ynt s VAL 3010CO -0.07 0.14 -0.01 -0.89 0.00 0.00 0.00 175.10 174.27 1ynt s THR 3011N -0.04 0.79 0.24 3.92 2.01 -1.26 -2.19 115.64 119.12 1ynt s THR 3011Ca 0.57 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.74 1ynt s THR 3011Cb -0.38 -1.11 -0.09 0.00 0.01 0.00 0.00 72.50 70.93 1ynt s THR 3011CO 0.41 -0.01 1.13 0.00 -0.69 0.00 0.00 174.62 175.46 1ynt s PRO 3013N -0.94 3.20 -1.27 0.00 0.04 -1.26 -4.23 135.00 130.54 1ynt s PRO 3013Ca 0.48 -0.56 -0.19 0.00 0.04 0.00 0.00 61.00 60.77 1ynt s PRO 3013Cb -0.32 -2.90 0.04 0.00 0.04 0.00 0.00 34.50 31.36 1ynt s PRO 3013CO 0.39 0.59 1.76 -0.51 0.04 0.00 0.00 177.00 179.27 1ynt s ASP 3014N -2.49 6.49 0.00 6.66 -0.00 -1.26 -4.80 116.67 121.27 1ynt s ASP 3014Ca 0.33 -2.26 0.00 0.00 -0.00 0.00 0.00 52.55 50.62 1ynt s ASP 3014Cb -0.13 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.21 1ynt s ASP 3014CO 0.25 -1.54 0.00 2.29 -0.00 0.00 0.00 175.17 176.18 1ynt n LYS 3015N 8.40 0.00 -1.56 8.23 2.85 -1.26 -5.07 118.16 129.75 1ynt n LYS 3015Ca 0.48 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 57.35 1ynt n LYS 3015Cb 0.46 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.81 1ynt n LYS 3015CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1ynt n LYS 3016N -0.39 1.24 -3.78 -1.58 3.00 -1.26 -4.50 118.16 110.89 1ynt n LYS 3016Ca 0.00 0.13 -0.14 0.00 -0.00 0.00 0.00 58.31 58.30 1ynt n LYS 3016Cb 0.00 -3.32 -0.16 0.00 0.00 0.00 0.00 35.03 31.55 1ynt n LYS 3016CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1ynt s SER 3017N 11.10 0.05 0.48 3.14 1.04 -1.25 -5.00 113.70 123.26 1ynt s SER 3017Ca 1.00 0.05 0.09 0.00 0.48 0.00 0.00 55.95 57.57 1ynt s SER 3017Cb -0.26 -0.04 0.04 0.00 0.10 0.00 0.00 66.02 65.86 1ynt s SER 3017CO 0.30 -0.11 0.63 -0.89 0.98 0.00 0.00 173.24 174.15 1ynt s THR 3018N 0.92 2.59 0.02 2.02 2.01 -1.26 -2.99 115.64 118.95 1ynt s THR 3018Ca -0.08 -1.05 -0.29 0.00 0.31 0.00 0.00 61.69 60.58 1ynt s THR 3018Cb -0.11 -2.64 0.10 0.00 0.01 0.00 0.00 72.50 69.87 1ynt s THR 3018CO -0.03 0.00 1.17 0.00 -0.69 0.00 0.00 174.62 175.07 1ynt s ALA 3019N -2.50 -2.04 -0.27 7.40 0.00 -1.14 -4.93 121.76 118.28 1ynt s ALA 3019Ca 0.56 0.60 -0.23 0.00 0.00 0.00 0.00 51.96 52.89 1ynt s ALA 3019Cb -0.07 0.41 0.07 0.00 0.00 0.00 0.00 23.12 23.53 1ynt s ALA 3019CO 0.34 -1.01 0.71 0.00 0.00 0.00 0.00 175.76 175.81 1ynt s ALA 3020N -2.71 -1.81 0.02 0.00 0.00 -1.26 -1.09 121.76 114.91 1ynt s ALA 3020Ca 0.13 2.14 0.02 0.00 0.00 0.00 0.00 51.96 54.24 1ynt s ALA 3020Cb 0.02 -1.25 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 1ynt s ALA 3020CO -0.02 -0.35 -0.06 0.08 0.00 0.00 0.00 175.76 175.40 1ynt s VAL 3021N 0.71 0.46 -0.05 0.00 1.01 -0.68 -4.95 120.40 116.90 1ynt s VAL 3021Ca -0.03 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.38 1ynt s VAL 3021Cb -0.05 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1ynt s VAL 3021CO -0.05 -0.11 -0.14 -0.63 0.00 0.00 0.00 175.10 174.17 1ynt s ILE 3022N -0.69 3.09 -0.20 2.22 -1.09 -1.26 -1.42 121.20 121.84 1ynt s ILE 3022Ca -0.04 -0.72 -0.08 0.00 -2.23 0.00 0.00 60.65 57.58 1ynt s ILE 3022Cb -0.06 -2.21 -0.04 0.00 -1.58 0.00 0.00 42.46 38.57 1ynt s ILE 3022CO 0.00 0.58 0.08 -0.76 -1.23 0.00 0.00 174.94 173.61 1ynt s LEU 3023N -0.76 3.81 0.40 2.97 1.43 0.05 -4.96 118.68 121.62 1ynt s LEU 3023Ca 0.12 0.06 0.06 0.00 -1.03 0.00 0.00 54.13 53.33 1ynt s LEU 3023Cb -0.11 -1.98 -0.07 0.00 0.03 0.00 0.00 46.19 44.07 1ynt s LEU 3023CO 0.01 0.14 0.02 0.42 0.23 0.00 0.00 176.35 177.17 1ynt s THR 3024N 0.58 1.68 -0.98 5.49 -4.23 -1.08 -2.48 115.64 114.63 1ynt s THR 3024Ca 0.04 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.77 1ynt s THR 3024Cb -0.13 -2.85 0.19 0.00 1.34 0.00 0.00 72.50 71.06 1ynt s THR 3024CO 0.01 0.00 1.72 -0.81 -0.54 0.00 0.00 174.62 175.00 1ynt n PRO 3025N -0.93 0.01 0.00 3.99 -0.04 -1.26 -0.41 135.00 136.36 1ynt n PRO 3025Ca -0.06 0.12 0.10 0.00 -0.04 0.00 0.00 63.50 63.62 1ynt n PRO 3025Cb 0.67 -1.52 -0.12 0.00 -0.04 0.00 0.00 33.50 32.49 1ynt n PRO 3025CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ynt n THR 3026N -1.54 0.00 -2.87 0.52 -2.24 -1.26 -4.60 114.28 102.30 1ynt n THR 3026Ca 0.05 -0.02 -0.12 0.00 -2.27 0.00 0.00 64.05 61.70 1ynt n THR 3026Cb 0.27 1.00 0.05 0.00 -2.10 0.00 0.00 70.33 69.55 1ynt n THR 3026CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ynt n GLU 3027N -1.48 1.02 0.00 -0.78 1.02 -0.72 -4.94 120.64 114.76 1ynt n GLU 3027Ca 0.04 -2.42 0.03 0.00 -0.02 0.00 0.00 57.16 54.78 1ynt n GLU 3027Cb 0.32 -1.18 0.15 0.00 -0.02 0.00 0.00 31.44 30.72 1ynt n GLU 3027CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1ynt n ASN 3028N 0.25 0.00 -4.79 1.62 6.94 0.45 -2.63 115.26 117.11 1ynt n ASN 3028Ca 0.11 -1.57 -0.30 0.00 -0.02 0.00 0.00 54.58 52.80 1ynt n ASN 3028Cb 0.70 0.00 0.10 0.00 -2.36 0.00 0.00 39.78 38.22 1ynt n ASN 3028CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1ynt s HIS 3029N -2.00 2.73 -0.20 -2.53 2.46 -1.26 -3.18 115.29 111.30 1ynt s HIS 3029Ca 0.08 1.19 -0.29 0.00 0.47 0.00 0.00 55.06 56.51 1ynt s HIS 3029Cb 0.04 -3.12 0.14 0.00 -0.13 0.00 0.00 32.58 29.51 1ynt s HIS 3029CO 0.06 -1.88 1.09 0.12 -2.47 0.00 0.00 174.74 171.66 1ynt s PHE 3030N -3.10 -0.30 -0.29 3.88 5.99 -1.23 -4.90 117.98 118.03 1ynt s PHE 3030Ca 0.61 0.56 -0.12 0.00 0.00 0.00 0.00 56.93 57.98 1ynt s PHE 3030Cb -0.15 0.45 0.11 0.00 0.00 0.00 0.00 43.02 43.43 1ynt s PHE 3030CO 0.55 -0.25 0.66 0.99 -0.00 0.00 0.00 175.22 177.16 1ynt s THR 3031N -0.89 -0.69 -0.11 0.12 2.01 -1.14 -2.76 115.64 112.18 1ynt s THR 3031Ca 0.01 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.00 1ynt s THR 3031Cb -0.01 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 1ynt s THR 3031CO -0.02 0.00 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.65 1ynt s LEU 3032N 2.51 3.28 -0.31 4.42 2.96 0.33 -0.99 118.68 130.87 1ynt s LEU 3032Ca -0.07 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1ynt s LEU 3032Cb -0.10 -1.75 0.13 0.00 0.50 0.00 0.00 46.19 44.97 1ynt s LEU 3032CO -0.19 0.29 0.25 -0.54 -1.32 0.00 0.00 176.35 174.83 1ynt s LYS 3033N -0.35 0.37 0.38 1.98 1.02 -0.93 0.78 119.74 122.99 1ynt s LYS 3033Ca 0.06 -0.55 -0.07 0.00 0.02 0.00 0.00 55.97 55.42 1ynt s LYS 3033Cb -0.12 -0.92 -0.05 0.00 -0.52 0.00 0.00 37.83 36.22 1ynt s LYS 3033CO 0.02 -1.08 0.70 0.00 -0.92 0.00 0.00 175.35 174.07 1ynt n PRO 3035N -1.38 -1.80 0.14 0.00 -0.04 -1.26 -3.98 135.00 126.68 1ynt n PRO 3035Ca 0.01 -0.53 0.02 0.00 -0.04 0.00 0.00 63.50 62.95 1ynt n PRO 3035Cb 0.54 -1.34 0.05 0.00 -0.04 0.00 0.00 33.50 32.71 1ynt n PRO 3035CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1ynt h LYS 3036N -2.61 0.00 0.00 0.54 3.64 -1.93 -3.40 116.57 112.81 1ynt h LYS 3036Ca -0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1ynt h LYS 3036Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1ynt h LYS 3036CO 0.09 0.53 -0.04 1.79 -2.27 0.00 0.00 179.45 179.55 1ynt h THR 3037N 0.00 0.00 -2.19 1.00 1.35 -1.90 -3.49 112.91 107.68 1ynt h THR 3037Ca -0.01 -0.13 -0.25 0.00 -0.55 0.00 0.00 66.41 65.47 1ynt h THR 3037Cb 1.36 0.00 0.15 0.00 -1.73 0.00 0.00 68.15 67.93 1ynt h THR 3037CO 0.07 0.00 -0.23 0.00 -0.25 0.00 0.00 175.52 175.11 1ynt n ALA 3038N -2.31 -1.63 -2.34 6.62 0.00 -1.26 -5.05 120.51 114.55 1ynt n ALA 3038Ca -0.01 -1.22 -0.08 0.00 0.00 0.00 0.00 53.44 52.13 1ynt n ALA 3038Cb 0.02 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 1ynt n ALA 3038CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ynt s LEU 3039N -1.71 2.29 0.37 0.00 1.43 0.46 -4.82 118.68 116.70 1ynt s LEU 3039Ca 0.43 -0.84 -0.25 0.00 -1.03 0.00 0.00 54.13 52.44 1ynt s LEU 3039Cb -0.08 0.30 -0.12 0.00 0.03 0.00 0.00 46.19 46.32 1ynt s LEU 3039CO 0.38 -0.55 0.97 0.35 0.23 0.00 0.00 176.35 177.73 1ynt n THR 3040N 0.41 2.20 0.07 5.49 -2.24 -1.26 -1.83 114.28 117.11 1ynt n THR 3040Ca -0.16 -0.50 -0.07 0.00 -2.27 0.00 0.00 64.05 61.05 1ynt n THR 3040Cb 0.60 -1.05 -0.04 0.00 -2.10 0.00 0.00 70.33 67.74 1ynt n THR 3040CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ynt h GLU 3041N 1.65 -0.33 -5.79 -0.78 4.57 -1.76 -2.93 114.58 109.21 1ynt h GLU 3041Ca -0.42 0.02 -0.62 0.00 -1.18 0.00 0.00 59.36 57.16 1ynt h GLU 3041Cb 1.34 0.07 -0.12 0.00 -0.16 0.00 0.00 28.75 29.89 1ynt h GLU 3041CO 0.58 -0.22 1.25 -1.25 -1.18 0.00 0.00 179.01 178.19 1ynt s PRO 3042N -4.12 3.55 0.26 0.92 0.04 -1.26 -4.81 135.00 129.59 1ynt s PRO 3042Ca -0.07 -1.25 -0.05 0.00 0.04 0.00 0.00 61.00 59.68 1ynt s PRO 3042Cb 0.02 -5.13 0.50 0.00 0.04 0.00 0.00 34.50 29.93 1ynt s PRO 3042CO 0.24 -2.07 1.43 -2.30 0.04 0.00 0.00 177.00 174.34 1ynt n PRO 3043N 8.20 -0.08 -0.32 0.56 -0.02 -1.11 0.24 135.00 142.47 1ynt n PRO 3043Ca 0.27 1.41 0.31 0.00 -2.02 0.00 0.00 63.50 63.47 1ynt n PRO 3043Cb 0.50 -2.14 0.57 0.00 -0.02 0.00 0.00 33.50 32.41 1ynt n PRO 3043CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ynt n THR 3044N -5.45 -0.38 0.05 3.45 -2.24 -1.26 0.30 114.28 108.75 1ynt n THR 3044Ca 0.17 1.91 0.22 0.00 -2.27 0.00 0.00 64.05 64.07 1ynt n THR 3044Cb 0.53 -3.10 0.73 0.00 -2.10 0.00 0.00 70.33 66.38 1ynt n THR 3044CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1ynt h LEU 3045N 0.00 0.00 -1.58 3.22 5.85 0.30 -0.18 115.31 122.92 1ynt h LEU 3045Ca 0.81 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.53 1ynt h LEU 3045Cb 2.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.22 1ynt h LEU 3045CO -0.70 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 177.40 1ynt n ALA 3046N -2.39 2.48 -2.57 1.25 0.00 0.15 -4.84 120.51 114.59 1ynt n ALA 3046Ca 0.09 -0.70 -0.23 0.00 0.00 0.00 0.00 53.44 52.61 1ynt n ALA 3046Cb 0.69 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.01 1ynt n ALA 3046CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ynt s TYR 3047N -1.70 1.49 -1.44 0.00 1.51 -0.08 -2.21 117.35 114.91 1ynt s TYR 3047Ca 0.34 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 56.05 1ynt s TYR 3047Cb 0.19 -0.89 0.00 0.00 -0.11 0.00 0.00 41.96 41.15 1ynt s TYR 3047CO 0.28 0.05 0.68 0.45 -1.11 0.00 0.00 175.55 175.91 1ynt n SER 3048N 1.96 0.00 0.00 2.29 2.88 -1.26 -4.05 113.62 115.44 1ynt n SER 3048Ca -0.17 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1ynt n SER 3048Cb 0.54 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 1ynt n SER 3048CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1ynt n PRO 3049N -1.18 0.00 -2.84 -1.46 -0.02 -1.26 -4.71 135.00 123.53 1ynt n PRO 3049Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.10 1ynt n PRO 3049Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.50 1ynt n PRO 3049CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1ynt n ASN 3050N 0.00 6.42 -3.52 2.55 0.23 -1.26 -5.02 115.26 114.66 1ynt n ASN 3050Ca 0.00 -3.60 -0.47 0.00 -0.53 0.00 0.00 54.58 49.98 1ynt n ASN 3050Cb 0.00 -1.07 -0.06 0.00 -2.08 0.00 0.00 39.78 36.57 1ynt n ASN 3050CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1ynt n ARG 3051N 0.33 0.00 -4.44 -3.83 5.12 -1.26 -4.85 116.66 107.74 1ynt n ARG 3051Ca 0.38 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 56.05 1ynt n ARG 3051Cb 0.31 -1.16 -0.10 0.00 -1.16 0.00 0.00 32.46 30.35 1ynt n ARG 3051CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1ynt s GLN 3052N 0.41 1.74 -0.12 5.56 -0.21 -1.26 -4.35 119.66 121.43 1ynt s GLN 3052Ca 0.72 -1.68 -0.04 0.00 0.02 0.00 0.00 55.36 54.38 1ynt s GLN 3052Cb -1.02 -1.84 0.06 0.00 1.00 0.00 0.00 33.01 31.22 1ynt s GLN 3052CO 0.48 0.35 0.15 0.96 -2.12 0.00 0.00 175.29 175.10 1ynt s ILE 3053N -2.36 -0.23 0.48 1.08 -0.00 -0.94 -3.84 121.20 115.39 1ynt s ILE 3053Ca 0.29 0.18 -0.20 0.00 -0.00 0.00 0.00 60.65 60.92 1ynt s ILE 3053Cb -0.06 -0.40 -0.12 0.00 -0.00 0.00 0.00 42.46 41.89 1ynt s ILE 3053CO 0.15 0.01 0.47 0.00 -0.00 0.00 0.00 174.94 175.57 1ynt s PRO 3055N -1.69 -2.17 0.32 0.00 0.04 -1.26 -1.82 135.00 128.42 1ynt s PRO 3055Ca 0.64 -0.10 -0.27 0.00 0.04 0.00 0.00 61.00 61.31 1ynt s PRO 3055Cb -0.54 -1.49 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 1ynt s PRO 3055CO 0.58 -4.33 1.03 0.00 0.04 0.00 0.00 177.00 174.31 1ynt s ALA 3056N -2.73 3.26 0.00 8.56 0.00 -1.26 -2.97 121.76 126.61 1ynt s ALA 3056Ca 0.71 0.72 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1ynt s ALA 3056Cb -0.09 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1ynt s ALA 3056CO 0.56 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.67 1ynt n GLY 3057N 0.85 0.42 3.68 0.00 0.00 -1.26 -4.96 105.19 103.92 1ynt n GLY 3057Ca 0.01 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 1ynt n GLY 3057CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ynt s THR 3058N -2.00 5.03 0.34 2.61 -4.23 -1.24 -5.05 115.64 111.10 1ynt s THR 3058Ca 0.00 1.25 0.08 0.00 -1.18 0.00 0.00 61.69 61.84 1ynt s THR 3058Cb 0.00 -3.97 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 1ynt s THR 3058CO 0.00 0.15 0.14 -0.89 -0.54 0.00 0.00 174.62 173.48 1ynt s THR 3059N 1.63 3.01 0.00 3.99 2.01 -1.26 -4.96 115.64 120.05 1ynt s THR 3059Ca 0.31 -1.70 0.00 0.00 0.31 0.00 0.00 61.69 60.61 1ynt s THR 3059Cb -0.16 -2.98 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1ynt s THR 3059CO 0.12 -0.18 0.00 -0.24 -0.69 0.00 0.00 174.62 173.63 1ynt n SER 3060N -1.15 0.00 -3.02 3.53 2.88 -1.26 -4.77 113.62 109.83 1ynt n SER 3060Ca -0.03 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.39 1ynt n SER 3060Cb 0.61 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.05 1ynt n SER 3060CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ynt n SER 3061N 3.75 2.27 -1.64 -3.46 7.64 -1.26 -5.09 113.62 115.83 1ynt n SER 3061Ca 0.00 -1.80 -0.03 0.00 1.01 0.00 0.00 58.87 58.04 1ynt n SER 3061Cb 0.00 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1ynt n SER 3061CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ynt h THR 3063N 5.11 0.00 0.00 0.00 1.35 -1.98 0.52 112.91 117.92 1ynt h THR 3063Ca -0.45 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1ynt h THR 3063Cb 1.45 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1ynt h THR 3063CO -0.17 0.00 -0.68 -1.54 -0.25 0.00 0.00 175.52 172.88 1ynt n SER 3064N -4.65 0.60 -0.37 5.36 3.41 -1.26 -4.29 113.62 112.42 1ynt n SER 3064Ca 0.41 -0.19 0.05 0.00 -0.26 0.00 0.00 58.87 58.88 1ynt n SER 3064Cb 1.63 0.40 0.04 0.00 -0.26 0.00 0.00 64.21 66.01 1ynt n SER 3064CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ynt n LYS 3065N -1.76 0.46 -0.81 4.33 5.02 0.18 -5.04 118.16 120.54 1ynt n LYS 3065Ca 0.04 -1.04 -0.34 0.00 -2.02 0.00 0.00 58.31 54.95 1ynt n LYS 3065Cb 0.38 -1.18 0.11 0.00 -0.02 0.00 0.00 35.03 34.33 1ynt n LYS 3065CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ynt n ALA 3066N 0.48 -3.67 -3.51 7.82 0.00 -0.82 -4.26 120.51 116.55 1ynt n ALA 3066Ca 0.05 -0.84 -0.15 0.00 0.00 0.00 0.00 53.44 52.50 1ynt n ALA 3066Cb 0.24 -1.56 -0.05 0.00 0.00 0.00 0.00 19.45 18.08 1ynt n ALA 3066CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ynt s VAL 3067N -2.27 0.00 0.39 0.00 -7.23 -1.24 -4.92 120.40 105.13 1ynt s VAL 3067Ca 0.52 0.00 -0.25 0.00 -1.81 0.00 0.00 61.98 60.45 1ynt s VAL 3067Cb -0.16 -1.00 -0.09 0.00 0.56 0.00 0.00 36.38 35.69 1ynt s VAL 3067CO 0.70 0.00 1.08 0.42 -0.31 0.00 0.00 175.10 176.99 1ynt s THR 3068N -1.69 3.55 0.33 5.32 -4.23 -1.26 -2.22 115.64 115.44 1ynt s THR 3068Ca -0.06 1.23 0.08 0.00 -1.18 0.00 0.00 61.69 61.76 1ynt s THR 3068Cb -0.00 -3.66 0.32 0.00 1.34 0.00 0.00 72.50 70.50 1ynt s THR 3068CO 0.04 0.05 1.81 0.25 -0.54 0.00 0.00 174.62 176.23 1ynt h LEU 3069N 2.59 0.71 -1.22 4.79 5.85 -1.93 -1.15 115.31 124.95 1ynt h LEU 3069Ca -0.48 0.07 0.18 0.00 0.84 0.00 0.00 57.88 58.49 1ynt h LEU 3069Cb 1.22 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 42.11 1ynt h LEU 3069CO 0.63 0.29 0.61 0.28 -0.34 0.00 0.00 178.44 179.90 1ynt h SER 3070N 0.71 0.65 0.00 1.25 0.02 -1.90 -0.46 113.55 113.82 1ynt h SER 3070Ca 0.53 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.55 1ynt h SER 3070Cb 0.90 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1ynt h SER 3070CO -0.31 0.27 0.00 -1.54 -1.14 0.00 0.00 176.83 174.11 1ynt n SER 3071N -4.63 0.02 0.10 3.07 3.41 -0.44 -0.56 113.62 114.59 1ynt n SER 3071Ca 0.21 -0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 1ynt n SER 3071Cb 0.58 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1ynt n SER 3071CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ynt n LEU 3072N -0.43 0.32 -3.95 1.04 4.77 -0.25 -4.89 117.00 113.62 1ynt n LEU 3072Ca 0.00 0.34 -0.39 0.00 -0.03 0.00 0.00 56.01 55.93 1ynt n LEU 3072Cb 0.00 0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1ynt n LEU 3072CO 0.00 -0.77 0.75 -0.38 -1.33 0.00 0.00 177.39 175.66 1ynt n ILE 3073N -3.44 4.26 -0.16 -0.08 5.41 -0.77 -4.83 119.36 119.75 1ynt n ILE 3073Ca 0.00 -5.59 0.15 0.00 1.00 0.00 0.00 62.75 58.31 1ynt n ILE 3073Cb 0.00 -2.20 0.23 0.00 -0.71 0.00 0.00 39.64 36.96 1ynt n ILE 3073CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1ynt n PRO 3074N 1.56 0.00 -0.62 0.38 -0.04 0.28 0.74 135.00 137.30 1ynt n PRO 3074Ca 0.26 0.42 0.09 0.00 -0.04 0.00 0.00 63.50 64.23 1ynt n PRO 3074Cb 0.36 -1.03 0.35 0.00 -0.04 0.00 0.00 33.50 33.14 1ynt n PRO 3074CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ynt n GLU 3075N -2.33 3.71 -0.80 0.54 1.02 -1.26 -4.88 120.64 116.63 1ynt n GLU 3075Ca 0.13 -2.75 -0.33 0.00 -0.02 0.00 0.00 57.16 54.19 1ynt n GLU 3075Cb 0.70 -1.90 0.13 0.00 -0.02 0.00 0.00 31.44 30.34 1ynt n GLU 3075CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ynt n ALA 3076N 1.04 -2.18 -3.45 0.62 0.00 0.23 -5.06 120.51 111.71 1ynt n ALA 3076Ca 0.25 -0.58 -0.15 0.00 0.00 0.00 0.00 53.44 52.96 1ynt n ALA 3076Cb 0.88 -1.88 -0.04 0.00 0.00 0.00 0.00 19.45 18.41 1ynt n ALA 3076CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ynt s GLU 3077N -3.78 1.14 0.49 0.00 0.41 -1.26 -4.90 118.70 110.80 1ynt s GLU 3077Ca 0.59 -0.10 0.25 0.00 -0.41 0.00 0.00 54.97 55.30 1ynt s GLU 3077Cb -0.22 0.53 1.29 0.00 -1.78 0.00 0.00 34.13 33.95 1ynt s GLU 3077CO 0.65 -0.43 2.02 0.22 -0.49 0.00 0.00 175.26 177.23 1ynt h ASP 3078N 2.57 0.00 -0.15 -0.19 3.58 -1.96 -2.78 116.42 117.49 1ynt h ASP 3078Ca -0.30 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.19 1ynt h ASP 3078Cb 1.22 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 1ynt h ASP 3078CO 0.39 0.16 0.30 0.77 -2.88 0.00 0.00 179.24 177.98 1ynt h SER 3079N 0.00 0.00 0.79 2.28 4.64 -1.97 0.41 113.55 119.70 1ynt h SER 3079Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ynt h SER 3079Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1ynt h SER 3079CO 0.02 0.00 0.00 0.79 -0.87 0.00 0.00 176.83 176.77 1ynt n TRP 3080N -3.32 0.00 -4.10 4.77 7.02 -1.05 -4.83 117.44 115.93 1ynt n TRP 3080Ca 0.01 0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.22 1ynt n TRP 3080Cb 0.40 -0.43 -0.06 0.00 -2.42 0.00 0.00 31.31 28.80 1ynt n TRP 3080CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1ynt s TRP 3081N -2.86 3.09 -0.46 -5.99 0.52 0.14 0.10 118.94 113.49 1ynt s TRP 3081Ca 0.17 -0.03 0.06 0.00 0.02 0.00 0.00 56.10 56.32 1ynt s TRP 3081Cb 0.18 -1.50 0.19 0.00 -1.15 0.00 0.00 33.47 31.19 1ynt s TRP 3081CO 0.47 0.52 0.55 2.41 0.02 0.00 0.00 176.95 180.91 1ynt n THR 3082N -0.16 -0.62 -3.58 2.01 -1.04 -0.81 -4.97 114.28 105.12 1ynt n THR 3082Ca -0.09 -2.39 -0.07 0.00 -2.04 0.00 0.00 64.05 59.47 1ynt n THR 3082Cb 0.54 -0.41 -0.02 0.00 -1.82 0.00 0.00 70.33 68.62 1ynt n THR 3082CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1ynt s GLY 3083N 0.14 -0.40 0.00 3.41 0.00 -1.26 -2.59 107.32 106.62 1ynt s GLY 3083Ca 0.32 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.74 1ynt s GLY 3083CO -0.14 0.22 0.00 2.09 0.00 0.00 0.00 173.10 175.27 1ynt n ASP 3084N -0.32 0.00 0.03 1.64 5.68 -1.24 -4.76 116.55 117.58 1ynt n ASP 3084Ca -0.08 -0.12 -0.22 0.00 -0.50 0.00 0.00 54.79 53.87 1ynt n ASP 3084Cb 0.62 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.45 1ynt n ASP 3084CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 1ynt h SER 3085N 0.00 0.46 0.00 -1.12 0.87 -1.82 -3.32 113.55 108.62 1ynt h SER 3085Ca 0.00 -0.89 0.00 0.00 -1.23 0.00 0.00 61.79 59.67 1ynt h SER 3085Cb 0.00 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1ynt h SER 3085CO 0.00 1.61 0.00 0.00 -0.53 0.00 0.00 176.83 177.91 1ynt n ALA 3086N -2.88 1.42 -4.04 6.23 0.00 -1.26 -4.38 120.51 115.60 1ynt n ALA 3086Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.90 1ynt n ALA 3086Cb 0.93 -0.99 -0.15 0.00 0.00 0.00 0.00 19.45 19.23 1ynt n ALA 3086CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ynt s SER 3087N -2.13 3.88 -0.33 0.00 0.01 -1.25 -4.92 113.70 108.96 1ynt s SER 3087Ca 0.00 -1.12 0.05 0.00 1.31 0.00 0.00 55.95 56.19 1ynt s SER 3087Cb 0.00 -1.40 0.19 0.00 0.21 0.00 0.00 66.02 65.02 1ynt s SER 3087CO 0.00 -0.16 1.16 0.18 0.41 0.00 0.00 173.24 174.84 1ynt n LEU 3088N 4.56 -1.39 0.00 2.44 4.77 -1.26 -4.09 117.00 122.03 1ynt n LEU 3088Ca -0.15 -2.42 0.00 0.00 -0.03 0.00 0.00 56.01 53.41 1ynt n LEU 3088Cb 0.45 0.53 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 1ynt n LEU 3088CO 0.21 1.43 0.00 -0.90 -1.33 0.00 0.00 177.39 176.80 1ynt n ASP 3089N -0.56 0.00 0.00 -1.43 5.75 -1.26 -2.78 116.55 116.27 1ynt n ASP 3089Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.61 1ynt n ASP 3089Cb 0.72 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.81 1ynt n ASP 3089CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1ynt n THR 3090N 0.00 0.00 0.00 2.12 -2.24 -1.26 -5.06 114.28 107.84 1ynt n THR 3090Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ynt n THR 3090Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1ynt n THR 3090CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ynt n ALA 3091N -1.03 -0.00 0.00 6.98 0.00 -1.26 -5.06 120.51 120.14 1ynt n ALA 3091Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ynt n ALA 3091Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ynt n ALA 3091CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ynt n GLY 3092N 2.42 0.56 2.72 0.00 0.00 -1.26 -4.77 105.19 104.86 1ynt n GLY 3092Ca 0.00 -1.57 -0.25 0.00 0.00 0.00 0.00 46.02 44.20 1ynt n GLY 3092CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ynt s ILE 3093N 0.00 0.32 -0.29 -0.61 1.01 0.23 -3.71 121.20 118.15 1ynt s ILE 3093Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 60.65 60.33 1ynt s ILE 3093Cb 0.00 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 1ynt s ILE 3093CO 0.00 -0.05 0.18 -0.75 0.00 0.00 0.00 174.94 174.31 1ynt s LYS 3094N 1.97 3.69 -0.50 2.79 2.20 -1.07 0.12 119.74 128.94 1ynt s LYS 3094Ca 0.02 -0.49 -0.10 0.00 -0.36 0.00 0.00 55.97 55.03 1ynt s LYS 3094Cb -0.15 -3.62 0.13 0.00 -1.51 0.00 0.00 37.83 32.67 1ynt s LYS 3094CO -0.07 -0.28 0.39 -1.17 -0.36 0.00 0.00 175.35 173.85 1ynt s LEU 3095N 1.70 5.81 -0.24 5.43 2.96 -1.11 -1.92 118.68 131.31 1ynt s LEU 3095Ca 0.06 -1.95 -0.06 0.00 -0.22 0.00 0.00 54.13 51.96 1ynt s LEU 3095Cb -0.16 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 1ynt s LEU 3095CO 0.09 -0.71 0.04 -0.89 -1.32 0.00 0.00 176.35 173.55 1ynt s THR 3096N 1.32 4.03 -0.11 3.68 2.01 0.28 -3.51 115.64 123.34 1ynt s THR 3096Ca 0.06 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.80 1ynt s THR 3096Cb -0.26 -2.87 -0.02 0.00 0.01 0.00 0.00 72.50 69.36 1ynt s THR 3096CO -0.00 0.37 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.48 1ynt s VAL 3097N 1.54 3.15 0.11 3.82 1.01 -1.19 -4.40 120.40 124.44 1ynt s VAL 3097Ca 0.06 -0.64 -0.31 0.00 0.00 0.00 0.00 61.98 61.09 1ynt s VAL 3097Cb -0.15 -2.31 -0.09 0.00 0.00 0.00 0.00 36.38 33.84 1ynt s VAL 3097CO 0.02 0.54 1.55 -2.84 0.00 0.00 0.00 175.10 174.36 1ynt s PRO 3098N 0.09 4.23 0.12 2.72 0.02 -1.26 -4.80 135.00 136.13 1ynt s PRO 3098Ca -0.05 2.26 -0.28 0.00 0.02 0.00 0.00 61.00 62.95 1ynt s PRO 3098Cb -0.15 -3.36 -0.08 0.00 0.02 0.00 0.00 34.50 30.93 1ynt s PRO 3098CO 0.04 -0.62 1.47 0.82 -0.33 0.00 0.00 177.00 178.38 1ynt h ILE 3099N 4.42 0.00 0.00 2.83 1.08 -1.95 0.66 117.51 124.55 1ynt h ILE 3099Ca -0.42 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1ynt h ILE 3099Cb 1.20 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 1ynt h ILE 3099CO 0.91 0.00 0.31 -1.84 -0.69 0.00 0.00 178.15 176.84 1ynt n GLU 3100N -4.97 0.04 0.00 2.37 0.00 -1.26 -0.23 120.64 116.60 1ynt n GLU 3100Ca -0.01 0.41 0.09 0.00 0.00 0.00 0.00 57.16 57.65 1ynt n GLU 3100Cb 0.27 -1.95 -0.03 0.00 0.00 0.00 0.00 31.44 29.73 1ynt n GLU 3100CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1ynt n LYS 3101N -1.65 1.42 -0.98 3.44 4.76 0.23 -5.01 118.16 120.36 1ynt n LYS 3101Ca -0.00 -0.69 -0.35 0.00 -2.87 0.00 0.00 58.31 54.40 1ynt n LYS 3101Cb 0.32 -1.35 0.07 0.00 -1.84 0.00 0.00 35.03 32.23 1ynt n LYS 3101CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1ynt n PHE 3102N -0.38 -3.09 -2.05 2.13 3.01 0.68 -4.83 117.46 112.93 1ynt n PHE 3102Ca 0.07 0.15 -0.37 0.00 1.01 0.00 0.00 57.45 58.31 1ynt n PHE 3102Cb 0.37 -1.64 0.02 0.00 -0.01 0.00 0.00 39.48 38.21 1ynt n PHE 3102CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1ynt s PRO 3103N -2.61 3.28 0.31 -1.08 0.04 -1.26 -4.72 135.00 128.96 1ynt s PRO 3103Ca 0.51 1.90 0.08 0.00 0.04 0.00 0.00 61.00 63.52 1ynt s PRO 3103Cb -0.24 -2.16 0.82 0.00 0.04 0.00 0.00 34.50 32.96 1ynt s PRO 3103CO 0.73 -0.98 1.74 0.28 0.04 0.00 0.00 177.00 178.81 1ynt h VAL 3104N 1.34 0.60 -2.42 -0.36 2.07 -1.90 -2.35 116.25 113.23 1ynt h VAL 3104Ca -0.50 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1ynt h VAL 3104Cb 1.28 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1ynt h VAL 3104CO 0.57 0.12 0.00 0.35 0.02 0.00 0.00 177.57 178.63 1ynt n THR 3105N -4.85 0.00 -3.47 2.57 -2.24 -1.26 -4.29 114.28 100.74 1ynt n THR 3105Ca 0.25 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.66 1ynt n THR 3105Cb 0.68 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.85 1ynt n THR 3105CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ynt s THR 3106N -0.30 5.11 0.15 4.28 2.01 -1.26 -4.12 115.64 121.49 1ynt s THR 3106Ca 0.00 0.82 0.09 0.00 0.31 0.00 0.00 61.69 62.91 1ynt s THR 3106Cb 0.00 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1ynt s THR 3106CO 0.00 0.50 -0.21 -1.10 -0.69 0.00 0.00 174.62 173.12 1ynt s GLN 3107N -0.50 1.29 0.11 4.92 -1.52 -1.07 -4.97 119.66 117.91 1ynt s GLN 3107Ca 0.23 -1.34 0.04 0.00 -1.95 0.00 0.00 55.36 52.34 1ynt s GLN 3107Cb -0.16 -1.52 -0.04 0.00 -0.22 0.00 0.00 33.01 31.07 1ynt s GLN 3107CO 0.11 0.34 -0.11 0.95 -0.25 0.00 0.00 175.29 176.33 1ynt s THR 3108N -1.56 1.06 -0.17 -0.19 -4.23 -1.26 -0.65 115.64 108.65 1ynt s THR 3108Ca 0.13 -1.67 -0.30 0.00 -1.18 0.00 0.00 61.69 58.68 1ynt s THR 3108Cb -0.08 -1.42 0.13 0.00 1.34 0.00 0.00 72.50 72.47 1ynt s THR 3108CO 0.06 -0.52 1.03 0.72 -0.54 0.00 0.00 174.62 175.37 1ynt s PHE 3109N -2.36 -0.34 0.19 3.99 -0.12 -0.23 -4.05 117.98 115.07 1ynt s PHE 3109Ca 0.07 0.57 0.05 0.00 -0.05 0.00 0.00 56.93 57.56 1ynt s PHE 3109Cb -0.03 0.46 -0.03 0.00 -0.63 0.00 0.00 43.02 42.78 1ynt s PHE 3109CO 0.01 -0.32 0.25 0.08 -0.05 0.00 0.00 175.22 175.19 1ynt s VAL 3110N -1.16 4.93 -0.46 -2.49 1.01 -0.75 -0.61 120.40 120.87 1ynt s VAL 3110Ca -0.01 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.04 1ynt s VAL 3110Cb -0.01 -3.59 0.30 0.00 0.00 0.00 0.00 36.38 33.09 1ynt s VAL 3110CO 0.01 -0.20 1.07 1.33 0.00 0.00 0.00 175.10 177.31 1ynt n VAL 3111N -0.81 0.00 -0.39 2.92 0.24 -1.09 -3.32 118.33 115.88 1ynt n VAL 3111Ca -0.08 -1.46 0.00 0.00 -2.04 0.00 0.00 64.34 60.76 1ynt n VAL 3111Cb 0.56 1.48 0.00 0.00 -1.47 0.00 0.00 33.84 34.41 1ynt n VAL 3111CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ynt n GLY 3112N 0.70 -1.28 3.00 7.63 0.00 -1.25 -4.44 105.19 109.55 1ynt n GLY 3112Ca 0.06 -1.59 -0.27 0.00 0.00 0.00 0.00 46.02 44.23 1ynt n GLY 3112CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ynt s ILE 3114N 1.08 2.18 -0.46 0.00 -4.36 -0.76 0.21 121.20 119.09 1ynt s ILE 3114Ca -0.06 -1.03 0.03 0.00 -0.26 0.00 0.00 60.65 59.33 1ynt s ILE 3114Cb -0.15 -1.79 0.13 0.00 1.25 0.00 0.00 42.46 41.90 1ynt s ILE 3114CO -0.02 0.57 0.22 -0.75 0.24 0.00 0.00 174.94 175.21 1ynt s LYS 3115N -0.31 1.60 0.00 0.37 2.20 -1.26 -0.40 119.74 121.93 1ynt s LYS 3115Ca 0.01 -2.23 0.00 0.00 -0.36 0.00 0.00 55.97 53.39 1ynt s LYS 3115Cb -0.13 -2.85 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 1ynt s LYS 3115CO 0.02 -1.11 0.00 0.41 -0.36 0.00 0.00 175.35 174.31 1ynt n GLY 3116N 3.47 0.08 3.86 5.54 0.00 -1.26 -4.73 105.19 112.16 1ynt n GLY 3116Ca 0.06 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1ynt n GLY 3116CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ynt s ASP 3117N 0.00 5.90 0.14 1.61 2.15 -1.26 -5.03 116.67 120.17 1ynt s ASP 3117Ca 0.00 0.02 -0.01 0.00 0.43 0.00 0.00 52.55 52.98 1ynt s ASP 3117Cb 0.00 -1.66 -0.07 0.00 -0.30 0.00 0.00 42.92 40.89 1ynt s ASP 3117CO 0.00 0.07 1.33 0.44 -0.17 0.00 0.00 175.17 176.84 1ynt h ASP 3118N 2.36 0.40 0.00 -0.34 3.32 -1.99 -3.36 116.42 116.81 1ynt h ASP 3118Ca -0.48 -0.33 -0.06 0.00 0.02 0.00 0.00 57.03 56.18 1ynt h ASP 3118Cb 1.19 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 1ynt h ASP 3118CO 0.66 1.14 0.05 0.00 -1.72 0.00 0.00 179.24 179.36 1ynt n ALA 3119N -2.50 3.32 0.00 3.45 0.00 -1.26 -1.79 120.51 121.73 1ynt n ALA 3119Ca -0.05 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1ynt n ALA 3119Cb 0.83 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1ynt n ALA 3119CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ynt n GLN 3120N 2.44 0.00 -3.46 0.00 7.27 -1.26 -4.54 117.38 117.84 1ynt n GLN 3120Ca 0.14 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.84 1ynt n GLN 3120Cb 0.38 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.96 1ynt n GLN 3120CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1ynt s SER 3121N 0.00 6.46 -0.89 1.69 1.04 -0.74 -4.27 113.70 117.00 1ynt s SER 3121Ca 0.00 0.54 -0.18 0.00 0.48 0.00 0.00 55.95 56.79 1ynt s SER 3121Cb 0.00 -2.21 0.15 0.00 0.10 0.00 0.00 66.02 64.06 1ynt s SER 3121CO 0.00 0.02 1.03 0.00 0.98 0.00 0.00 173.24 175.27 1ynt s MET 3123N 2.15 3.68 -0.35 0.00 -1.94 -1.16 0.17 119.30 121.86 1ynt s MET 3123Ca 0.28 -0.17 -0.11 0.00 -1.71 0.00 0.00 55.69 53.98 1ynt s MET 3123Cb -0.07 -3.78 0.00 0.00 2.01 0.00 0.00 34.83 32.99 1ynt s MET 3123CO -0.08 -0.55 0.20 0.08 -0.01 0.00 0.00 175.02 174.65 1ynt s VAL 3124N 2.25 4.79 -0.11 -6.03 1.01 -1.26 -2.88 120.40 118.17 1ynt s VAL 3124Ca 0.17 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 1ynt s VAL 3124Cb -0.16 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1ynt s VAL 3124CO 0.12 -0.08 1.08 -0.89 0.00 0.00 0.00 175.10 175.34 1ynt s THR 3125N 1.62 4.60 -0.11 3.92 2.01 -0.25 -2.66 115.64 124.77 1ynt s THR 3125Ca 0.04 1.89 0.01 0.00 0.31 0.00 0.00 61.69 63.94 1ynt s THR 3125Cb -0.18 -4.21 -0.02 0.00 0.01 0.00 0.00 72.50 68.10 1ynt s THR 3125CO 0.08 -0.03 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.15 1ynt s VAL 3126N 2.31 3.05 -0.07 3.82 1.01 0.22 -1.68 120.40 129.06 1ynt s VAL 3126Ca 0.50 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.86 1ynt s VAL 3126Cb -0.20 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1ynt s VAL 3126CO 0.17 0.54 -0.24 -0.89 0.00 0.00 0.00 175.10 174.69 1ynt s THR 3127N 0.08 1.98 -0.12 3.92 2.01 -0.51 -1.06 115.64 121.94 1ynt s THR 3127Ca -0.05 -1.01 -0.01 0.00 0.31 0.00 0.00 61.69 60.92 1ynt s THR 3127Cb -0.15 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 1ynt s THR 3127CO 0.04 0.55 -0.06 0.68 -0.69 0.00 0.00 174.62 175.14 1ynt s VAL 3128N -0.00 3.72 0.41 3.82 -7.23 0.18 -0.77 120.40 120.52 1ynt s VAL 3128Ca -0.08 -0.44 -0.24 0.00 -1.81 0.00 0.00 61.98 59.41 1ynt s VAL 3128Cb -0.15 -2.58 -0.08 0.00 0.56 0.00 0.00 36.38 34.13 1ynt s VAL 3128CO 0.05 0.54 1.13 -1.10 -0.31 0.00 0.00 175.10 175.40 1ynt s GLN 3129N -0.12 4.02 0.22 4.82 -0.21 -1.03 -2.60 119.66 124.76 1ynt s GLN 3129Ca 0.01 1.71 -0.31 0.00 0.02 0.00 0.00 55.36 56.79 1ynt s GLN 3129Cb -0.13 -2.56 -0.11 0.00 1.00 0.00 0.00 33.01 31.21 1ynt s GLN 3129CO 0.03 -0.32 1.56 0.00 -2.12 0.00 0.00 175.29 174.45 1ynt s ALA 3130N -1.53 3.76 -0.86 6.09 0.00 -1.26 -4.44 121.76 123.52 1ynt s ALA 3130Ca 0.59 1.44 -0.20 0.00 0.00 0.00 0.00 51.96 53.79 1ynt s ALA 3130Cb -0.27 -3.62 -0.22 0.00 0.00 0.00 0.00 23.12 19.01 1ynt s ALA 3130CO 0.34 -0.84 2.36 -2.13 0.00 0.00 0.00 175.76 175.48 1ynt n ARG 3131N 3.13 0.33 -3.93 0.00 0.00 -0.89 -4.88 116.66 110.42 1ynt n ARG 3131Ca 0.11 -0.30 -0.30 0.00 -0.00 0.00 0.00 57.85 57.35 1ynt n ARG 3131Cb 0.38 -2.34 -0.16 0.00 0.00 0.00 0.00 32.46 30.34 1ynt n ARG 3131CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ynt s ALA 3132N 8.11 1.93 0.09 5.13 0.00 -1.26 -4.87 121.76 130.89 1ynt s ALA 3132Ca 1.14 -1.33 -0.13 0.00 0.00 0.00 0.00 51.96 51.64 1ynt s ALA 3132Cb -0.57 -1.42 -0.08 0.00 0.00 0.00 0.00 23.12 21.05 1ynt s ALA 3132CO 0.35 -1.19 0.24 -1.13 0.00 0.00 0.00 175.76 174.03 1ynt n SER 3133N 4.68 -0.58 -3.59 0.00 3.41 -1.26 -4.94 113.62 111.34 1ynt n SER 3133Ca -0.12 0.52 -0.04 0.00 -0.26 0.00 0.00 58.87 58.97 1ynt n SER 3133Cb 0.44 -0.44 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 1ynt n SER 3133CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ynt s SER 3134N -0.46 -0.16 -0.16 4.04 0.15 -0.00 -4.88 113.70 112.24 1ynt s SER 3134Ca 0.30 -0.03 -0.08 0.00 0.70 0.00 0.00 55.95 56.83 1ynt s SER 3134Cb -0.43 0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 64.02 1ynt s SER 3134CO 0.26 -0.31 0.14 -0.69 1.20 0.00 0.00 173.24 173.84 1ynt s VAL 3135N -2.53 5.46 -0.21 4.45 1.01 -1.26 -2.22 120.40 125.10 1ynt s VAL 3135Ca 0.10 0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 1ynt s VAL 3135Cb -0.00 -3.43 0.06 0.00 0.00 0.00 0.00 36.38 33.00 1ynt s VAL 3135CO -0.05 0.54 0.00 -0.69 0.00 0.00 0.00 175.10 174.90 1ynt s VAL 3136N -0.40 0.89 -1.31 2.92 1.01 -1.05 -4.80 120.40 117.65 1ynt s VAL 3136Ca 0.12 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 1ynt s VAL 3136Cb -0.12 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1ynt s VAL 3136CO 0.01 -0.17 0.68 -3.20 0.00 0.00 0.00 175.10 172.42 1ynt n ASN 3137N 4.91 -1.10 -3.35 3.32 2.85 -1.26 -2.88 115.26 117.75 1ynt n ASN 3137Ca -0.10 -0.83 -0.19 0.00 -0.11 0.00 0.00 54.58 53.35 1ynt n ASN 3137Cb 0.46 -4.00 0.06 0.00 1.24 0.00 0.00 39.78 37.54 1ynt n ASN 3137CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1ynt n ASN 3138N -3.05 -6.15 -3.42 1.20 4.13 -1.26 -4.97 115.26 101.73 1ynt n ASN 3138Ca -0.30 -0.77 -0.22 0.00 1.68 0.00 0.00 54.58 54.97 1ynt n ASN 3138Cb 0.68 -4.82 -0.10 0.00 -1.54 0.00 0.00 39.78 33.99 1ynt n ASN 3138CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1ynt s VAL 3139N -3.41 -0.20 -0.45 2.41 1.01 -1.14 -2.75 120.40 115.87 1ynt s VAL 3139Ca 0.44 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 1ynt s VAL 3139Cb -0.08 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.40 1ynt s VAL 3139CO 0.77 -0.67 1.41 0.00 0.00 0.00 0.00 175.10 176.60 1ynt s ALA 3140N 1.71 2.99 -0.25 5.51 0.00 0.69 -2.54 121.76 129.87 1ynt s ALA 3140Ca 0.14 -0.28 -0.06 0.00 0.00 0.00 0.00 51.96 51.75 1ynt s ALA 3140Cb -0.17 -3.98 -0.01 0.00 0.00 0.00 0.00 23.12 18.96 1ynt s ALA 3140CO -0.16 -2.52 0.04 1.03 0.00 0.00 0.00 175.76 174.14 1ynt s ARG 3141N 5.06 3.42 -0.30 0.00 0.52 -0.94 0.40 118.95 127.10 1ynt s ARG 3141Ca 0.59 -0.62 -0.11 0.00 -0.52 0.00 0.00 55.73 55.07 1ynt s ARG 3141Cb -0.13 -3.23 -0.03 0.00 0.52 0.00 0.00 34.95 32.08 1ynt s ARG 3141CO 0.31 -0.26 0.19 0.00 0.02 0.00 0.00 175.30 175.56 1ynt s SER 3143N 1.70 4.77 -0.30 0.00 1.04 -1.26 -4.74 113.70 114.90 1ynt s SER 3143Ca 0.06 -0.73 0.16 0.00 0.48 0.00 0.00 55.95 55.91 1ynt s SER 3143Cb -0.17 0.30 0.48 0.00 0.10 0.00 0.00 66.02 66.73 1ynt s SER 3143CO 0.09 -1.59 1.09 -1.22 0.98 0.00 0.00 173.24 172.59 1ynt n TYR 3144N -2.49 1.87 0.01 5.02 4.02 -1.26 -4.81 117.16 119.52 1ynt n TYR 3144Ca 0.16 -2.44 -0.12 0.00 -0.01 0.00 0.00 57.90 55.50 1ynt n TYR 3144Cb 0.61 -0.27 -0.09 0.00 -0.02 0.00 0.00 39.34 39.57 1ynt n TYR 3144CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1ynt h GLY 3145N 2.60 -0.11 -2.64 2.72 0.00 -1.91 -3.43 103.07 100.29 1ynt h GLY 3145Ca 0.05 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1ynt h GLY 3145CO 0.48 -0.04 0.02 0.00 0.00 0.00 0.00 176.54 177.00 1ynt s ALA 3146N -3.66 -0.92 -0.84 3.60 0.00 -1.26 -5.00 121.76 113.67 1ynt s ALA 3146Ca -0.15 -0.22 -0.21 0.00 0.00 0.00 0.00 51.96 51.38 1ynt s ALA 3146Cb 0.00 0.85 -0.21 0.00 0.00 0.00 0.00 23.12 23.76 1ynt s ALA 3146CO 0.58 -0.79 2.36 -0.25 0.00 0.00 0.00 175.76 177.65 1ynt n ASP 3147N -0.33 0.59 -4.70 0.00 8.00 -1.26 -4.77 116.55 114.08 1ynt n ASP 3147Ca -0.10 -0.87 -0.35 0.00 0.71 0.00 0.00 54.79 54.18 1ynt n ASP 3147Cb 0.63 -1.19 -0.09 0.00 -0.02 0.00 0.00 41.12 40.44 1ynt n ASP 3147CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ynt s SER 3148N 7.17 5.30 -0.30 -2.24 1.04 -1.05 -4.98 113.70 118.64 1ynt s SER 3148Ca 1.12 0.16 -0.05 0.00 0.48 0.00 0.00 55.95 57.65 1ynt s SER 3148Cb -0.50 -1.50 0.02 0.00 0.10 0.00 0.00 66.02 64.14 1ynt s SER 3148CO 0.32 0.37 0.06 -0.89 0.98 0.00 0.00 173.24 174.07 1ynt s THR 3149N -0.91 3.64 -0.08 2.02 2.01 -1.26 -2.73 115.64 118.33 1ynt s THR 3149Ca 0.14 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 61.16 1ynt s THR 3149Cb -0.11 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 1ynt s THR 3149CO 0.03 0.01 0.12 -0.76 -0.69 0.00 0.00 174.62 173.33 1ynt s LEU 3150N 1.42 4.19 0.00 4.42 1.43 -0.18 -5.00 118.68 124.96 1ynt s LEU 3150Ca 0.00 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1ynt s LEU 3150Cb -0.18 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 43.87 1ynt s LEU 3150CO 0.01 0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.56 1ynt n GLY 3151N 1.68 1.97 3.75 -3.19 0.00 -1.26 -1.91 105.19 106.23 1ynt n GLY 3151Ca -0.17 -1.90 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 1ynt n GLY 3151CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ynt s PRO 3152N -1.45 4.83 -0.39 1.61 0.04 -1.26 -4.97 135.00 133.41 1ynt s PRO 3152Ca 0.00 1.53 -0.02 0.00 0.04 0.00 0.00 61.00 62.55 1ynt s PRO 3152Cb 0.00 -3.27 0.10 0.00 0.04 0.00 0.00 34.50 31.37 1ynt s PRO 3152CO 0.00 0.47 0.16 0.08 0.04 0.00 0.00 177.00 177.75 1ynt s VAL 3153N -1.14 3.19 0.00 -0.36 1.01 -0.55 -5.02 120.40 117.53 1ynt s VAL 3153Ca 0.42 -1.96 -0.23 0.00 0.00 0.00 0.00 61.98 60.21 1ynt s VAL 3153Cb -0.27 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 1ynt s VAL 3153CO 0.33 -0.59 0.68 -0.54 0.00 0.00 0.00 175.10 174.98 1ynt s LYS 3154N 1.15 4.41 -0.53 2.72 1.02 -1.26 -1.51 119.74 125.74 1ynt s LYS 3154Ca 0.06 0.89 0.07 0.00 0.02 0.00 0.00 55.97 57.02 1ynt s LYS 3154Cb -0.22 -3.37 0.26 0.00 -0.52 0.00 0.00 37.83 33.98 1ynt s LYS 3154CO -0.04 0.27 0.68 1.28 -0.92 0.00 0.00 175.35 176.62 1ynt n LEU 3155N 2.99 2.40 -4.84 3.17 7.99 0.84 -4.61 117.00 124.93 1ynt n LEU 3155Ca -0.04 -5.17 -0.31 0.00 -0.01 0.00 0.00 56.01 50.47 1ynt n LEU 3155Cb 0.51 -0.13 0.01 0.00 -0.11 0.00 0.00 43.42 43.70 1ynt n LEU 3155CO 0.46 2.10 0.71 -0.55 -1.51 0.00 0.00 177.39 178.59 1ynt s SER 3156N -2.09 6.03 0.00 -1.43 0.15 -1.26 -3.88 113.70 111.22 1ynt s SER 3156Ca 0.39 1.56 -0.05 0.00 0.70 0.00 0.00 55.95 58.55 1ynt s SER 3156Cb 0.18 -2.49 -0.24 0.00 -1.71 0.00 0.00 66.02 61.75 1ynt s SER 3156CO -0.06 -1.00 3.26 0.00 1.20 0.00 0.00 173.24 176.64 1ynt n ALA 3157N -2.48 5.74 -1.75 5.45 0.00 -1.20 -2.28 120.51 124.00 1ynt n ALA 3157Ca 0.07 -1.61 -0.01 0.00 0.00 0.00 0.00 53.44 51.89 1ynt n ALA 3157Cb 0.54 -2.30 -0.01 0.00 0.00 0.00 0.00 19.45 17.67 1ynt n ALA 3157CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ynt n GLU 3158N 2.55 0.00 0.00 0.00 2.13 -1.26 -5.12 120.64 118.94 1ynt n GLU 3158Ca 0.38 -0.11 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1ynt n GLU 3158Cb 0.81 0.08 0.00 0.00 0.27 0.00 0.00 31.44 32.60 1ynt n GLU 3158CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ynt n GLY 3159N 0.00 1.61 0.00 8.31 0.00 -0.96 -5.07 105.19 109.08 1ynt n GLY 3159Ca -0.03 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1ynt n GLY 3159CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ynt n PRO 3160N 2.87 3.17 -0.12 1.61 -0.04 -1.26 -4.36 135.00 136.87 1ynt n PRO 3160Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ynt n PRO 3160Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1ynt n PRO 3160CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ynt n THR 3161N 0.00 0.00 0.00 0.52 -2.24 -1.26 -4.36 114.28 106.94 1ynt n THR 3161Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ynt n THR 3161Cb 0.00 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1ynt n THR 3161CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1ynt n THR 3162N 0.00 0.00 -4.35 4.28 5.66 -1.26 -3.48 114.28 115.12 1ynt n THR 3162Ca 0.00 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.82 1ynt n THR 3162Cb 0.53 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.21 1ynt n THR 3162CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ynt s MET 3163N -2.00 1.49 0.02 1.09 0.23 -1.21 -4.99 119.30 113.93 1ynt s MET 3163Ca 0.00 -1.82 0.08 0.00 -1.03 0.00 0.00 55.69 52.93 1ynt s MET 3163Cb 0.00 -0.39 -0.02 0.00 -1.53 0.00 0.00 34.83 32.89 1ynt s MET 3163CO 0.00 -0.29 -0.25 0.99 -2.03 0.00 0.00 175.02 173.44 1ynt s THR 3164N -3.64 1.99 -0.32 3.16 2.01 -1.11 -1.43 115.64 116.31 1ynt s THR 3164Ca 0.37 -1.24 0.03 0.00 0.31 0.00 0.00 61.69 61.16 1ynt s THR 3164Cb 0.08 -1.69 0.09 0.00 0.01 0.00 0.00 72.50 70.98 1ynt s THR 3164CO 0.14 0.41 0.01 -0.22 -0.69 0.00 0.00 174.62 174.27 1ynt s LEU 3165N -0.99 4.35 -1.10 4.42 2.96 0.42 -0.22 118.68 128.52 1ynt s LEU 3165Ca 0.10 -1.87 -0.15 0.00 -0.22 0.00 0.00 54.13 51.99 1ynt s LEU 3165Cb -0.10 -1.62 0.18 0.00 0.50 0.00 0.00 46.19 45.15 1ynt s LEU 3165CO 0.01 -0.33 1.28 -0.69 -1.32 0.00 0.00 176.35 175.30 1ynt s VAL 3166N 0.99 5.10 0.28 1.68 1.01 0.16 -3.20 120.40 126.43 1ynt s VAL 3166Ca 0.04 -2.44 0.06 0.00 0.00 0.00 0.00 61.98 59.64 1ynt s VAL 3166Cb -0.20 -4.81 0.01 0.00 0.00 0.00 0.00 36.38 31.38 1ynt s VAL 3166CO -0.06 -1.51 1.66 0.00 0.00 0.00 0.00 175.10 175.19 1ynt n GLY 3168N -0.05 0.96 0.00 0.00 0.00 -1.25 -4.43 105.19 100.42 1ynt n GLY 3168Ca -0.02 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1ynt n GLY 3168CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ynt n LYS 3169N 0.00 0.00 0.02 1.61 5.02 -1.26 0.19 118.16 123.74 1ynt n LYS 3169Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1ynt n LYS 3169Cb 0.00 -0.19 -0.03 0.00 -0.02 0.00 0.00 35.03 34.79 1ynt n LYS 3169CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ynt n ASP 3170N 0.00 0.57 -4.20 4.39 8.00 -1.26 -4.97 116.55 119.07 1ynt n ASP 3170Ca 0.00 -0.25 -0.12 0.00 0.71 0.00 0.00 54.79 55.13 1ynt n ASP 3170Cb 0.18 1.02 -0.10 0.00 -0.02 0.00 0.00 41.12 42.20 1ynt n ASP 3170CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ynt s GLY 3171N -3.76 0.95 0.47 0.44 0.00 -1.26 -3.26 107.32 100.91 1ynt s GLY 3171Ca 0.02 -1.45 -0.01 0.00 0.00 0.00 0.00 44.72 43.28 1ynt s GLY 3171CO 0.83 -1.49 0.72 0.14 0.00 0.00 0.00 173.10 173.29 1ynt s VAL 3172N -3.61 4.07 -0.15 1.40 1.01 -0.16 -4.75 120.40 118.21 1ynt s VAL 3172Ca 0.17 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 1ynt s VAL 3172Cb 0.05 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1ynt s VAL 3172CO -0.01 -0.42 -0.06 -0.75 0.00 0.00 0.00 175.10 173.86 1ynt s LYS 3173N -4.64 3.59 -0.00 2.72 2.36 -1.26 -0.81 119.74 121.69 1ynt s LYS 3173Ca 0.49 -0.57 0.04 0.00 -2.55 0.00 0.00 55.97 53.38 1ynt s LYS 3173Cb -0.10 -2.84 -0.01 0.00 -1.05 0.00 0.00 37.83 33.83 1ynt s LYS 3173CO 0.40 0.22 -0.12 0.08 1.55 0.00 0.00 175.35 177.48 1ynt s VAL 3174N 0.38 0.93 0.12 4.02 1.01 0.12 -3.52 120.40 123.46 1ynt s VAL 3174Ca -0.06 -0.54 -0.33 0.00 0.00 0.00 0.00 61.98 61.05 1ynt s VAL 3174Cb -0.15 -0.78 -0.13 0.00 0.00 0.00 0.00 36.38 35.32 1ynt s VAL 3174CO 0.04 0.24 1.67 -2.65 0.00 0.00 0.00 175.10 174.40 1ynt n PRO 3175N 2.71 2.28 -0.20 2.72 -0.02 -1.26 -1.11 135.00 140.12 1ynt n PRO 3175Ca -0.14 0.83 -0.05 0.00 -2.02 0.00 0.00 63.50 62.12 1ynt n PRO 3175Cb 0.56 -2.63 -0.04 0.00 -0.02 0.00 0.00 33.50 31.37 1ynt n PRO 3175CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1ynt n GLN 3176N 4.29 -0.20 -2.01 -0.52 7.27 -1.23 -4.46 117.38 120.53 1ynt n GLN 3176Ca 0.18 0.72 -0.28 0.00 0.07 0.00 0.00 57.00 57.68 1ynt n GLN 3176Cb 0.30 -1.05 0.07 0.00 2.41 0.00 0.00 30.24 31.97 1ynt n GLN 3176CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1ynt s ASP 3177N -5.23 4.80 -0.16 1.69 1.01 -1.26 -4.96 116.67 112.56 1ynt s ASP 3177Ca -0.06 0.75 0.16 0.00 0.71 0.00 0.00 52.55 54.11 1ynt s ASP 3177Cb 0.06 -1.36 0.71 0.00 1.01 0.00 0.00 42.92 43.34 1ynt s ASP 3177CO 0.30 -1.68 1.63 0.59 0.21 0.00 0.00 175.17 176.21 1ynt n ASN 3178N -3.12 4.91 -0.04 0.27 3.02 -1.26 -4.25 115.26 114.80 1ynt n ASN 3178Ca 0.08 -2.66 -0.04 0.00 -0.03 0.00 0.00 54.58 51.92 1ynt n ASN 3178Cb 0.60 -0.60 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 1ynt n ASN 3178CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ynt n ASN 3179N 0.72 3.24 -4.97 6.41 4.13 -1.26 -4.54 115.26 119.00 1ynt n ASN 3179Ca 0.25 -0.01 -0.21 0.00 1.68 0.00 0.00 54.58 56.29 1ynt n ASN 3179Cb 0.98 0.52 0.02 0.00 -1.54 0.00 0.00 39.78 39.75 1ynt n ASN 3179CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1ynt s GLN 3180N -2.18 2.83 0.35 3.52 -0.21 -1.26 -0.58 119.66 122.13 1ynt s GLN 3180Ca -0.05 -0.70 -0.04 0.00 0.02 0.00 0.00 55.36 54.59 1ynt s GLN 3180Cb 0.02 -2.56 0.01 0.00 1.00 0.00 0.00 33.01 31.48 1ynt s GLN 3180CO 0.28 -0.44 0.50 1.52 -2.12 0.00 0.00 175.29 175.03 1ynt s TYR 3181N -2.60 0.99 -0.16 0.91 -0.85 -1.26 -4.75 117.35 109.62 1ynt s TYR 3181Ca 0.52 -1.25 -0.09 0.00 -0.52 0.00 0.00 57.07 55.73 1ynt s TYR 3181Cb -0.10 -0.01 -0.05 0.00 0.38 0.00 0.00 41.96 42.18 1ynt s TYR 3181CO 0.37 -1.17 0.13 0.00 -1.52 0.00 0.00 175.55 173.36 1ynt n SER 3183N 2.83 2.15 -1.92 0.00 7.64 -0.84 -1.95 113.62 121.54 1ynt n SER 3183Ca -0.18 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.60 1ynt n SER 3183Cb 0.53 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1ynt n SER 3183CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ynt n GLY 3184N 2.33 -2.09 0.00 0.23 0.00 -1.16 -4.92 105.19 99.58 1ynt n GLY 3184Ca -0.42 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1ynt n GLY 3184CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ynt n THR 3185N 0.00 0.00 -1.34 2.61 -1.04 -1.26 -4.91 114.28 108.34 1ynt n THR 3185Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 1ynt n THR 3185Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 1ynt n THR 3185CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1ynt n THR 3186N 0.00 0.92 0.37 12.58 -2.24 -1.26 -4.63 114.28 120.02 1ynt n THR 3186Ca 0.00 -0.50 0.07 0.00 -2.27 0.00 0.00 64.05 61.35 1ynt n THR 3186Cb 0.00 -0.27 0.31 0.00 -2.10 0.00 0.00 70.33 68.27 1ynt n THR 3186CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ynt n LEU 3187N 1.73 0.16 0.07 3.22 4.77 -1.26 -2.35 117.00 123.35 1ynt n LEU 3187Ca 0.10 0.55 -0.12 0.00 -0.03 0.00 0.00 56.01 56.50 1ynt n LEU 3187Cb 0.46 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 1ynt n LEU 3187CO 0.53 -0.40 0.84 0.74 -1.33 0.00 0.00 177.39 177.77 1ynt h THR 3188N 0.00 0.90 -2.27 -5.08 2.02 -2.02 -3.04 112.91 103.42 1ynt h THR 3188Ca 0.00 0.00 -0.61 0.00 0.77 0.00 0.00 66.41 66.57 1ynt h THR 3188Cb 0.21 0.90 -0.41 0.00 -1.74 0.00 0.00 68.15 67.11 1ynt h THR 3188CO 0.00 0.00 -0.51 0.61 0.37 0.00 0.00 175.52 175.99 1ynt n GLY 3189N -1.15 5.38 0.33 2.16 0.00 -0.99 -4.91 105.19 106.02 1ynt n GLY 3189Ca -0.07 -2.77 0.19 0.00 0.00 0.00 0.00 46.02 43.36 1ynt n GLY 3189CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ynt n ASN 3191N -3.32 -7.31 -4.76 0.00 5.15 -1.26 -2.03 115.26 101.73 1ynt n ASN 3191Ca -0.01 -0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.57 1ynt n ASN 3191Cb 0.21 -4.61 0.02 0.00 -0.53 0.00 0.00 39.78 34.88 1ynt n ASN 3191CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1ynt s GLU 3192N -3.08 3.52 0.00 1.20 2.02 -1.26 -1.99 118.70 119.11 1ynt s GLU 3192Ca 0.11 2.35 0.00 0.00 0.02 0.00 0.00 54.97 57.45 1ynt s GLU 3192Cb -0.02 -2.53 0.00 0.00 0.10 0.00 0.00 34.13 31.68 1ynt s GLU 3192CO 0.78 -0.93 0.00 1.63 0.02 0.00 0.00 175.26 176.76 1ynt n LYS 3193N -0.46 0.00 0.00 1.61 4.76 -0.70 -4.91 118.16 118.46 1ynt n LYS 3193Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1ynt n LYS 3193Cb 0.43 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 1ynt n LYS 3193CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ynt n SER 3194N 0.00 0.00 0.29 4.39 2.88 -1.26 -4.50 113.62 115.42 1ynt n SER 3194Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 1ynt n SER 3194Cb 0.00 0.00 0.79 0.00 -0.75 0.00 0.00 64.21 64.25 1ynt n SER 3194CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1ynt h PHE 3195N 0.00 0.00 -0.82 0.66 0.04 -1.14 0.34 116.94 116.02 1ynt h PHE 3195Ca 0.00 0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.93 1ynt h PHE 3195Cb 0.00 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.09 1ynt h PHE 3195CO 0.00 0.00 0.54 0.87 -0.60 0.00 0.00 178.31 179.12 1ynt h LYS 3196N 0.00 0.45 0.00 1.51 1.57 -1.77 -2.21 116.57 116.12 1ynt h LYS 3196Ca 0.04 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1ynt h LYS 3196Cb 0.78 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1ynt h LYS 3196CO -0.00 0.30 0.00 -0.25 -0.57 0.00 0.00 179.45 178.93 1ynt n ASP 3197N -4.50 0.00 -0.45 0.86 10.43 0.11 -3.74 116.55 119.26 1ynt n ASP 3197Ca 0.16 0.09 0.39 0.00 2.57 0.00 0.00 54.79 58.01 1ynt n ASP 3197Cb 0.56 0.00 0.73 0.00 1.84 0.00 0.00 41.12 44.25 1ynt n ASP 3197CO 0.00 0.00 0.00 0.16 -1.07 0.00 0.00 177.20 176.29 1ynt h ILE 3198N 0.00 0.26 -3.16 0.53 3.07 -1.74 -3.27 117.51 113.20 1ynt h ILE 3198Ca 0.00 -0.02 -0.61 0.00 1.55 0.00 0.00 64.86 65.78 1ynt h ILE 3198Cb 0.00 0.20 -0.40 0.00 -0.27 0.00 0.00 36.82 36.35 1ynt h ILE 3198CO 0.00 0.01 -0.73 -0.76 -1.05 0.00 0.00 178.15 175.63 1ynt s LEU 3199N -8.56 3.04 0.00 0.16 2.01 -0.83 -4.72 118.68 109.78 1ynt s LEU 3199Ca -0.06 -2.40 0.00 0.00 0.01 0.00 0.00 54.13 51.68 1ynt s LEU 3199Cb 0.25 -1.14 0.00 0.00 0.01 0.00 0.00 46.19 45.31 1ynt s LEU 3199CO 0.83 -0.31 0.00 -0.81 1.01 0.00 0.00 176.35 177.07 1ynt n PRO 3200N 3.86 0.00 -1.33 1.29 -0.04 -1.24 -4.36 135.00 133.19 1ynt n PRO 3200Ca 0.05 0.00 -0.56 0.00 -0.04 0.00 0.00 63.50 62.95 1ynt n PRO 3200Cb 0.37 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.72 1ynt n PRO 3200CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1ynt n LYS 3201N 0.00 0.41 -3.61 0.54 0.00 -1.26 -4.85 118.16 109.39 1ynt n LYS 3201Ca 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 58.31 58.34 1ynt n LYS 3201Cb 0.00 -1.87 -0.05 0.00 0.00 0.00 0.00 35.03 33.10 1ynt n LYS 3201CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1ynt s LEU 3202N 6.62 -0.27 -0.80 3.14 2.96 -1.26 -4.64 118.68 124.44 1ynt s LEU 3202Ca 1.16 0.35 -0.25 0.00 -0.22 0.00 0.00 54.13 55.17 1ynt s LEU 3202Cb -1.24 1.61 0.04 0.00 0.50 0.00 0.00 46.19 47.10 1ynt s LEU 3202CO 0.59 -0.21 1.28 -0.89 -1.32 0.00 0.00 176.35 175.80 1ynt s THR 3203N -0.82 3.85 0.00 3.68 2.01 -1.26 -4.90 115.64 118.20 1ynt s THR 3203Ca 0.02 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.05 1ynt s THR 3203Cb -0.02 -4.92 0.00 0.00 0.01 0.00 0.00 72.50 67.57 1ynt s THR 3203CO -0.03 -1.83 0.00 -0.62 -0.69 0.00 0.00 174.62 171.45 1ynt n GLU 3204N 9.04 0.00 -3.44 4.92 4.71 -1.26 -1.55 120.64 133.06 1ynt n GLU 3204Ca 0.09 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.91 1ynt n GLU 3204Cb 0.49 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.86 1ynt n GLU 3204CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1ynt n ASN 3205N -2.08 4.45 -0.55 1.62 5.15 -1.26 -4.48 115.26 118.10 1ynt n ASN 3205Ca 0.00 -3.32 0.00 0.00 -0.60 0.00 0.00 54.58 50.66 1ynt n ASN 3205Cb 0.00 -0.93 0.00 0.00 -0.53 0.00 0.00 39.78 38.32 1ynt n ASN 3205CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1ynt n PRO 3206N 1.51 0.86 -4.08 1.20 -0.04 -0.60 -4.81 135.00 129.05 1ynt n PRO 3206Ca 0.26 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.42 1ynt n PRO 3206Cb 0.37 -1.39 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 1ynt n PRO 3206CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1ynt s TRP 3207N -0.87 3.12 -0.26 0.54 0.52 -1.26 -1.57 118.94 119.16 1ynt s TRP 3207Ca 0.00 0.04 -0.02 0.00 0.02 0.00 0.00 56.10 56.14 1ynt s TRP 3207Cb 0.00 -1.58 0.12 0.00 -1.15 0.00 0.00 33.47 30.86 1ynt s TRP 3207CO 0.00 0.51 0.29 -0.65 0.02 0.00 0.00 176.95 177.12 1ynt s GLN 3208N -2.44 0.29 0.00 4.98 -0.21 -1.15 -4.94 119.66 116.18 1ynt s GLN 3208Ca 0.28 0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.74 1ynt s GLN 3208Cb -0.12 -0.79 0.00 0.00 1.00 0.00 0.00 33.01 33.10 1ynt s GLN 3208CO 0.21 -0.86 0.00 0.41 -2.12 0.00 0.00 175.29 172.93 1ynt n GLY 3209N 5.32 4.40 3.55 3.09 0.00 -1.26 -1.95 105.19 118.35 1ynt n GLY 3209Ca -0.03 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 1ynt n GLY 3209CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ynt n ASN 3210N 0.00 1.47 0.00 1.61 5.15 -1.15 -4.37 115.26 117.97 1ynt n ASN 3210Ca 0.00 -2.52 0.00 0.00 -0.60 0.00 0.00 54.58 51.46 1ynt n ASN 3210Cb 0.00 -1.48 0.00 0.00 -0.53 0.00 0.00 39.78 37.77 1ynt n ASN 3210CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ynt n ALA 3211N 16.98 0.00 -1.96 5.20 0.00 0.25 -2.07 120.51 138.92 1ynt n ALA 3211Ca 0.43 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 1ynt n ALA 3211Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.90 1ynt n ALA 3211CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ynt n SER 3212N -1.15 4.11 -3.52 0.00 7.64 -1.26 -3.87 113.62 115.56 1ynt n SER 3212Ca 0.00 -2.85 -0.09 0.00 1.01 0.00 0.00 58.87 56.94 1ynt n SER 3212Cb 0.00 -1.67 -0.02 0.00 -1.01 0.00 0.00 64.21 61.52 1ynt n SER 3212CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ynt s SER 3213N 3.62 -0.38 0.39 6.43 1.04 0.50 -4.59 113.70 120.70 1ynt s SER 3213Ca 0.50 -0.07 0.17 0.00 0.48 0.00 0.00 55.95 57.03 1ynt s SER 3213Cb 0.11 0.45 1.08 0.00 0.10 0.00 0.00 66.02 67.76 1ynt s SER 3213CO -0.03 -0.75 1.77 -2.24 0.98 0.00 0.00 173.24 172.97 1ynt h ASP 3214N 2.00 0.47 -0.04 7.02 2.03 -1.89 0.30 116.42 126.31 1ynt h ASP 3214Ca -0.25 0.09 -0.02 0.00 -0.73 0.00 0.00 57.03 56.12 1ynt h ASP 3214Cb 1.26 0.01 -0.00 0.00 -0.83 0.00 0.00 39.33 39.77 1ynt h ASP 3214CO 0.32 0.09 -0.06 0.11 -1.03 0.00 0.00 179.24 178.67 1ynt h LYS 3215N 0.42 0.11 0.00 4.15 1.79 -1.91 -3.48 116.57 117.65 1ynt h LYS 3215Ca 0.60 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 59.00 1ynt h LYS 3215Cb 1.46 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.12 1ynt h LYS 3215CO -0.31 0.62 0.00 0.41 -1.08 0.00 0.00 179.45 179.09 1ynt n GLY 3216N 0.37 1.54 0.00 3.86 0.00 0.10 -4.69 105.19 106.38 1ynt n GLY 3216Ca -0.08 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1ynt n GLY 3216CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ynt n ALA 3217N 2.23 0.00 -3.74 4.61 0.00 -1.19 -0.58 120.51 121.84 1ynt n ALA 3217Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1ynt n ALA 3217Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 1ynt n ALA 3217CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ynt s THR 3218N -2.00 1.37 -0.58 0.00 2.01 -0.82 -0.43 115.64 115.19 1ynt s THR 3218Ca 0.00 -0.55 -0.22 0.00 0.31 0.00 0.00 61.69 61.22 1ynt s THR 3218Cb 0.00 -1.28 0.06 0.00 0.01 0.00 0.00 72.50 71.29 1ynt s THR 3218CO 0.00 0.42 0.88 -0.22 -0.69 0.00 0.00 174.62 175.01 1ynt s LEU 3219N 1.16 4.44 -0.17 4.42 2.96 -0.51 -2.94 118.68 128.03 1ynt s LEU 3219Ca -0.04 -0.74 -0.10 0.00 -0.22 0.00 0.00 54.13 53.03 1ynt s LEU 3219Cb -0.14 -2.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.92 1ynt s LEU 3219CO -0.04 -1.23 0.15 -0.89 -1.32 0.00 0.00 176.35 173.02 1ynt s THR 3220N 3.67 5.42 -0.43 3.68 2.01 -0.61 -3.31 115.64 126.07 1ynt s THR 3220Ca 0.23 0.24 -0.06 0.00 0.31 0.00 0.00 61.69 62.42 1ynt s THR 3220Cb -0.16 -3.47 0.11 0.00 0.01 0.00 0.00 72.50 68.99 1ynt s THR 3220CO 0.14 0.48 0.25 -0.63 -0.69 0.00 0.00 174.62 174.18 1ynt s ILE 3221N -0.01 3.72 -0.03 1.82 -1.09 -1.23 -4.76 121.20 119.62 1ynt s ILE 3221Ca 0.11 -1.85 -0.10 0.00 -2.23 0.00 0.00 60.65 56.57 1ynt s ILE 3221Cb -0.12 -3.46 -0.05 0.00 -1.58 0.00 0.00 42.46 37.26 1ynt s ILE 3221CO 0.00 -0.68 0.29 1.17 -1.23 0.00 0.00 174.94 174.49 1ynt n LYS 3222N 4.75 0.00 -0.40 2.79 4.81 -1.26 -4.64 118.16 124.20 1ynt n LYS 3222Ca -0.06 0.00 0.36 0.00 -0.87 0.00 0.00 58.31 57.75 1ynt n LYS 3222Cb 0.41 -0.36 0.56 0.00 0.02 0.00 0.00 35.03 35.66 1ynt n LYS 3222CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1ynt n LYS 3223N 0.50 0.01 -0.01 1.64 4.81 -1.26 -1.10 118.16 122.75 1ynt n LYS 3223Ca 0.05 0.99 0.00 0.00 -0.87 0.00 0.00 58.31 58.48 1ynt n LYS 3223Cb 0.01 -2.38 0.01 0.00 0.02 0.00 0.00 35.03 32.69 1ynt n LYS 3223CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1ynt n GLU 3224N -3.41 2.15 0.13 1.64 1.02 -1.26 -4.71 120.64 116.20 1ynt n GLU 3224Ca 0.30 -1.29 0.12 0.00 -0.02 0.00 0.00 57.16 56.27 1ynt n GLU 3224Cb 1.64 -0.89 0.09 0.00 -0.02 0.00 0.00 31.44 32.26 1ynt n GLU 3224CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ynt h ALA 3225N 0.00 0.67 -1.51 0.62 0.00 -1.38 -3.48 119.26 114.18 1ynt h ALA 3225Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 1ynt h ALA 3225Cb 0.66 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.59 1ynt h ALA 3225CO 0.00 0.00 -0.92 1.19 0.00 0.00 0.00 179.25 179.52 1ynt n PHE 3226N -2.68 -2.36 -3.28 0.00 3.01 -1.26 -4.71 117.46 106.19 1ynt n PHE 3226Ca 0.02 0.31 -0.36 0.00 1.01 0.00 0.00 57.45 58.43 1ynt n PHE 3226Cb 0.52 -1.26 -0.06 0.00 -0.01 0.00 0.00 39.48 38.68 1ynt n PHE 3226CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1ynt s PRO 3227N -0.83 4.07 0.02 -1.08 0.04 -1.26 -5.02 135.00 130.94 1ynt s PRO 3227Ca 0.42 0.61 -0.11 0.00 0.04 0.00 0.00 61.00 61.96 1ynt s PRO 3227Cb -0.35 -2.93 -0.06 0.00 0.04 0.00 0.00 34.50 31.20 1ynt s PRO 3227CO 0.51 0.46 1.17 0.00 0.04 0.00 0.00 177.00 179.19 1ynt h ALA 3228N 3.58 -0.92 -2.45 8.56 0.00 -1.92 -3.44 119.26 122.68 1ynt h ALA 3228Ca -0.48 -0.07 -0.47 0.00 0.00 0.00 0.00 54.91 53.89 1ynt h ALA 3228Cb 1.19 0.36 0.13 0.00 0.00 0.00 0.00 17.79 19.47 1ynt h ALA 3228CO 0.65 -0.92 0.30 -1.21 0.00 0.00 0.00 179.25 178.08 1ynt s GLU 3229N -3.89 1.43 0.07 0.00 8.01 -1.26 -5.01 118.70 118.05 1ynt s GLU 3229Ca -0.06 0.46 -0.28 0.00 0.01 0.00 0.00 54.97 55.11 1ynt s GLU 3229Cb 0.01 -1.86 -0.05 0.00 -4.31 0.00 0.00 34.13 27.92 1ynt s GLU 3229CO 0.19 -2.03 0.87 -1.12 0.01 0.00 0.00 175.26 173.18 1ynt s SER 3230N -3.91 7.35 -0.04 -0.19 0.01 -1.26 -4.83 113.70 110.83 1ynt s SER 3230Ca 0.63 1.61 0.02 0.00 1.31 0.00 0.00 55.95 59.52 1ynt s SER 3230Cb -0.15 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.56 1ynt s SER 3230CO 0.54 -0.05 -0.08 -0.54 0.41 0.00 0.00 173.24 173.52 1ynt s LYS 3231N 0.08 1.06 -0.05 12.44 3.01 -1.01 -5.02 119.74 130.26 1ynt s LYS 3231Ca 0.43 -0.27 0.05 0.00 -1.01 0.00 0.00 55.97 55.17 1ynt s LYS 3231Cb -0.22 -0.97 -0.02 0.00 -1.01 0.00 0.00 37.83 35.61 1ynt s LYS 3231CO 0.26 0.05 -0.21 -1.54 0.51 0.00 0.00 175.35 174.42 1ynt s SER 3232N 0.45 3.42 0.47 2.83 1.04 -1.26 -1.71 113.70 118.94 1ynt s SER 3232Ca -0.07 -0.40 0.02 0.00 0.48 0.00 0.00 55.95 55.98 1ynt s SER 3232Cb -0.11 -0.78 -0.01 0.00 0.10 0.00 0.00 66.02 65.22 1ynt s SER 3232CO 0.01 0.29 0.07 1.33 0.98 0.00 0.00 173.24 175.91 1ynt n VAL 3233N 2.69 0.00 -3.69 5.02 0.24 -1.07 -4.97 118.33 116.54 1ynt n VAL 3233Ca -0.17 -2.42 -0.16 0.00 -2.04 0.00 0.00 64.34 59.55 1ynt n VAL 3233Cb 0.52 0.66 -0.15 0.00 -1.47 0.00 0.00 33.84 33.40 1ynt n VAL 3233CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1ynt s ILE 3234N -2.97 -0.20 0.28 1.34 1.09 -0.82 -1.68 121.20 118.23 1ynt s ILE 3234Ca 0.10 0.31 0.04 0.00 -1.10 0.00 0.00 60.65 59.99 1ynt s ILE 3234Cb 0.00 -0.28 -0.06 0.00 -1.06 0.00 0.00 42.46 41.07 1ynt s ILE 3234CO 0.07 0.13 0.03 0.27 -0.10 0.00 0.00 174.94 175.33 1ynt s ILE 3235N 1.97 1.13 -2.07 2.92 -4.36 -0.73 -1.77 121.20 118.30 1ynt s ILE 3235Ca -0.00 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.36 1ynt s ILE 3235Cb -0.12 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 41.00 1ynt s ILE 3235CO -0.06 -0.14 0.00 0.61 0.24 0.00 0.00 174.94 175.59 1ynt n GLY 3236N -0.56 -1.40 3.16 6.27 0.00 -0.27 -0.24 105.19 112.14 1ynt n GLY 3236Ca -0.03 -1.01 -0.17 0.00 0.00 0.00 0.00 46.02 44.81 1ynt n GLY 3236CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ynt s THR 3238N -1.59 1.66 0.00 0.00 -4.23 0.01 -1.86 115.64 109.63 1ynt s THR 3238Ca -0.01 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 1ynt s THR 3238Cb -0.08 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.26 1ynt s THR 3238CO 0.02 0.47 0.00 0.61 -0.54 0.00 0.00 174.62 175.18 1ynt n GLY 3239N 4.10 0.30 0.00 3.99 0.00 -1.19 -0.99 105.19 111.40 1ynt n GLY 3239Ca -0.19 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1ynt n GLY 3239CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ynt n GLY 3240N -0.16 0.70 0.00 -0.02 0.00 -1.20 -3.42 105.19 101.10 1ynt n GLY 3240Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1ynt n GLY 3240CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ynt n SER 3241N 0.00 0.00 -0.56 1.61 3.41 -1.26 -4.42 113.62 112.40 1ynt n SER 3241Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ynt n SER 3241Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ynt n SER 3241CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1ynt n PRO 3242N -0.36 0.56 -3.73 4.33 -0.04 -1.26 -4.98 135.00 129.52 1ynt n PRO 3242Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1ynt n PRO 3242Cb 0.00 -1.27 -0.13 0.00 -0.04 0.00 0.00 33.50 32.06 1ynt n PRO 3242CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1ynt s GLU 3243N -0.82 0.21 -0.55 0.54 2.12 -1.26 -5.12 118.70 113.83 1ynt s GLU 3243Ca 0.00 0.54 -0.27 0.00 0.36 0.00 0.00 54.97 55.61 1ynt s GLU 3243Cb 0.00 -0.12 0.03 0.00 0.26 0.00 0.00 34.13 34.31 1ynt s GLU 3243CO 0.00 -0.16 1.07 0.15 -0.54 0.00 0.00 175.26 175.78 1ynt s LYS 3244N 1.28 3.47 0.00 4.30 -0.14 -1.26 -4.49 119.74 122.90 1ynt s LYS 3244Ca -0.09 0.08 0.00 0.00 -1.36 0.00 0.00 55.97 54.60 1ynt s LYS 3244Cb -0.10 -4.01 0.00 0.00 -1.68 0.00 0.00 37.83 32.04 1ynt s LYS 3244CO -0.09 -1.54 0.00 0.72 -0.76 0.00 0.00 175.35 173.68 1ynt n HIS 3245N 7.91 -1.09 -4.11 3.18 8.25 -1.22 -4.79 115.22 123.35 1ynt n HIS 3245Ca 0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.38 1ynt n HIS 3245Cb 0.48 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.48 1ynt n HIS 3245CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1ynt s HIS 3246N 0.86 0.87 -0.44 4.41 0.09 -1.26 -3.18 115.29 116.64 1ynt s HIS 3246Ca 0.00 -0.56 0.02 0.00 -0.00 0.00 0.00 55.06 54.53 1ynt s HIS 3246Cb 0.00 -0.50 0.14 0.00 -0.00 0.00 0.00 32.58 32.22 1ynt s HIS 3246CO 0.00 -0.05 0.26 0.00 -0.00 0.00 0.00 174.74 174.96 1ynt s THR 3248N 0.32 3.26 -0.18 0.00 2.01 -1.10 -3.21 115.64 116.73 1ynt s THR 3248Ca 0.20 1.21 -0.03 0.00 0.31 0.00 0.00 61.69 63.38 1ynt s THR 3248Cb -0.19 -3.74 0.06 0.00 0.01 0.00 0.00 72.50 68.63 1ynt s THR 3248CO -0.03 0.24 0.03 -0.69 -0.69 0.00 0.00 174.62 173.48 1ynt s VAL 3249N -1.24 0.51 -0.00 3.82 1.01 0.66 -1.01 120.40 124.15 1ynt s VAL 3249Ca 0.49 -0.49 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 1ynt s VAL 3249Cb -0.33 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1ynt s VAL 3249CO 0.42 -0.16 0.78 -0.54 0.00 0.00 0.00 175.10 175.60 1ynt s LYS 3250N 1.87 4.49 0.08 2.72 1.02 -0.81 -1.78 119.74 127.34 1ynt s LYS 3250Ca -0.00 1.07 0.05 0.00 0.02 0.00 0.00 55.97 57.10 1ynt s LYS 3250Cb -0.17 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.69 1ynt s LYS 3250CO -0.08 0.15 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.94 1ynt s LEU 3251N 0.44 3.28 -0.30 3.17 1.43 -0.68 -1.48 118.68 124.54 1ynt s LEU 3251Ca 0.41 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1ynt s LEU 3251Cb -0.20 -2.01 0.10 0.00 0.03 0.00 0.00 46.19 44.12 1ynt s LEU 3251CO 0.22 0.20 0.12 -1.61 0.23 0.00 0.00 176.35 175.51 1ynt s GLU 3252N -2.10 0.38 -0.81 1.70 2.02 -0.57 -2.60 118.70 116.73 1ynt s GLU 3252Ca 0.23 -0.73 -0.22 0.00 0.02 0.00 0.00 54.97 54.27 1ynt s GLU 3252Cb -0.11 -1.47 0.09 0.00 0.10 0.00 0.00 34.13 32.73 1ynt s GLU 3252CO 0.15 -1.01 1.11 -0.06 0.02 0.00 0.00 175.26 175.47 1ynt s PHE 3253N 1.92 2.78 -2.19 1.61 0.40 -0.69 -0.11 117.98 121.69 1ynt s PHE 3253Ca 0.09 -0.84 0.30 0.00 -0.60 0.00 0.00 56.93 55.88 1ynt s PHE 3253Cb -0.16 -4.37 1.59 0.00 0.51 0.00 0.00 43.02 40.58 1ynt s PHE 3253CO -0.32 -1.66 2.05 0.00 0.70 0.00 0.00 175.22 175.98