#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nd6 s GLU 3001N 0.00 1.37 0.12 1.64 2.56 -0.80 -4.96 118.70 118.62 1nd6 s GLU 3001Ca 0.00 -0.31 -0.31 0.00 0.00 0.00 0.00 54.97 54.35 1nd6 s GLU 3001Cb 0.00 -1.18 -0.08 0.00 2.00 0.00 0.00 34.13 34.87 1nd6 s GLU 3001CO 0.00 0.00 1.37 -1.17 -0.56 0.00 0.00 175.26 174.90 1nd6 s LEU 3002N 0.69 4.38 -0.11 2.70 2.96 -1.26 -1.09 118.68 126.95 1nd6 s LEU 3002Ca -0.13 2.31 0.03 0.00 -0.22 0.00 0.00 54.13 56.12 1nd6 s LEU 3002Cb -0.15 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 42.87 1nd6 s LEU 3002CO 0.02 -0.62 -0.06 1.17 -1.32 0.00 0.00 176.35 175.54 1nd6 n LYS 3003N 3.80 0.95 -3.59 1.98 0.00 -0.22 -4.92 118.16 116.16 1nd6 n LYS 3003Ca 0.11 0.04 -0.13 0.00 0.00 0.00 0.00 58.31 58.33 1nd6 n LYS 3003Cb 0.43 -1.23 -0.06 0.00 0.00 0.00 0.00 35.03 34.17 1nd6 n LYS 3003CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1nd6 s PHE 3004N -2.22 -0.57 0.00 5.64 5.36 -1.21 -4.79 117.98 120.19 1nd6 s PHE 3004Ca -0.12 1.19 -0.01 0.00 -0.96 0.00 0.00 56.93 57.03 1nd6 s PHE 3004Cb 0.04 0.38 -0.01 0.00 -0.34 0.00 0.00 43.02 43.09 1nd6 s PHE 3004CO 0.29 -0.40 0.01 0.54 -1.46 0.00 0.00 175.22 174.20 1nd6 s VAL 3005N -0.48 0.05 -0.09 3.12 0.11 0.10 -0.78 120.40 122.43 1nd6 s VAL 3005Ca -0.03 -0.43 0.03 0.00 -2.93 0.00 0.00 61.98 58.63 1nd6 s VAL 3005Cb -0.02 -0.17 0.01 0.00 -1.53 0.00 0.00 36.38 34.66 1nd6 s VAL 3005CO 0.02 -0.23 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.48 1nd6 s THR 3006N -0.70 1.69 -0.14 5.04 2.01 -0.62 -2.13 115.64 120.80 1nd6 s THR 3006Ca -0.08 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 61.15 1nd6 s THR 3006Cb -0.05 -1.49 0.01 0.00 0.01 0.00 0.00 72.50 70.98 1nd6 s THR 3006CO -0.00 0.48 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.43 1nd6 s LEU 3007N 0.51 2.13 -0.21 4.42 1.43 -0.74 -1.28 118.68 124.94 1nd6 s LEU 3007Ca -0.16 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 52.36 1nd6 s LEU 3007Cb -0.17 -1.45 0.04 0.00 0.03 0.00 0.00 46.19 44.64 1nd6 s LEU 3007CO 0.06 0.09 -0.13 -0.69 0.23 0.00 0.00 176.35 175.91 1nd6 s VAL 3008N 0.75 1.92 0.17 -1.59 1.01 -0.68 -0.16 120.40 121.82 1nd6 s VAL 3008Ca -0.09 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 60.73 1nd6 s VAL 3008Cb -0.16 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1nd6 s VAL 3008CO -0.00 0.23 0.03 0.72 0.00 0.00 0.00 175.10 176.08 1nd6 s PHE 3009N 1.28 1.13 0.16 5.22 -0.12 -0.75 0.00 117.98 124.90 1nd6 s PHE 3009Ca -0.02 -1.12 -0.01 0.00 -0.05 0.00 0.00 56.93 55.74 1nd6 s PHE 3009Cb -0.16 -0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 41.54 1nd6 s PHE 3009CO -0.09 -0.34 0.34 0.50 -0.05 0.00 0.00 175.22 175.59 1nd6 s ARG 3010N -3.98 3.52 0.99 1.99 3.52 -0.69 -0.65 118.95 123.65 1nd6 s ARG 3010Ca 0.26 -0.33 -0.11 0.00 -0.13 0.00 0.00 55.73 55.41 1nd6 s ARG 3010Cb 0.07 -2.89 0.19 0.00 -1.56 0.00 0.00 34.95 30.75 1nd6 s ARG 3010CO 0.04 0.47 1.10 -3.38 -0.81 0.00 0.00 175.30 172.72 1nd6 s HIS 3011N -1.75 1.61 0.64 5.12 -3.43 -1.00 -2.40 115.29 114.09 1nd6 s HIS 3011Ca 0.38 1.55 -0.11 0.00 -0.80 0.00 0.00 55.06 56.08 1nd6 s HIS 3011Cb -0.12 -3.24 0.16 0.00 -1.43 0.00 0.00 32.58 27.95 1nd6 s HIS 3011CO 0.28 -3.10 0.67 0.41 -2.00 0.00 0.00 174.74 171.00 1nd6 n GLY 3012N 0.26 -2.15 3.64 -1.38 0.00 -1.26 -1.92 105.19 102.37 1nd6 n GLY 3012Ca 0.08 -1.56 -0.48 0.00 0.00 0.00 0.00 46.02 44.07 1nd6 n GLY 3012CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nd6 n ASP 3013N -3.84 2.45 -4.34 1.61 -0.08 -1.26 -4.79 116.55 106.30 1nd6 n ASP 3013Ca 0.09 1.11 -0.17 0.00 -1.51 0.00 0.00 54.79 54.30 1nd6 n ASP 3013Cb 0.33 -1.34 -0.10 0.00 2.34 0.00 0.00 41.12 42.35 1nd6 n ASP 3013CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nd6 s ARG 3014N 0.47 1.45 0.70 -0.67 1.70 -1.26 -1.04 118.95 120.30 1nd6 s ARG 3014Ca 0.78 -1.79 -0.11 0.00 -0.47 0.00 0.00 55.73 54.14 1nd6 s ARG 3014Cb -0.77 -0.37 0.01 0.00 -0.57 0.00 0.00 34.95 33.25 1nd6 s ARG 3014CO 0.44 -0.27 1.09 -1.54 -1.08 0.00 0.00 175.30 173.93 1nd6 s SER 3015N -3.34 5.45 0.88 -2.89 1.04 0.60 -4.85 113.70 110.59 1nd6 s SER 3015Ca 0.37 1.21 -0.11 0.00 0.48 0.00 0.00 55.95 57.90 1nd6 s SER 3015Cb 0.08 -2.04 0.12 0.00 0.10 0.00 0.00 66.02 64.28 1nd6 s SER 3015CO 0.14 -1.35 1.14 -0.81 0.98 0.00 0.00 173.24 173.34 1nd6 n PRO 3016N -3.02 -0.22 0.02 4.02 -0.04 -1.26 -3.23 135.00 131.27 1nd6 n PRO 3016Ca 0.07 0.01 -0.02 0.00 -0.04 0.00 0.00 63.50 63.52 1nd6 n PRO 3016Cb 0.56 -2.38 -0.09 0.00 -0.04 0.00 0.00 33.50 31.55 1nd6 n PRO 3016CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1nd6 h ILE 3017N -1.51 0.59 -2.72 0.52 2.04 -1.90 1.03 117.51 115.55 1nd6 h ILE 3017Ca -0.44 -2.16 0.09 0.00 1.00 0.00 0.00 64.86 63.35 1nd6 h ILE 3017Cb 1.28 2.13 -0.04 0.00 -0.74 0.00 0.00 36.82 39.45 1nd6 h ILE 3017CO 0.43 0.33 0.39 -0.62 0.00 0.00 0.00 178.15 178.68 1nd6 s ASP 3018N -5.87 -0.10 0.19 1.72 2.15 -1.26 -4.54 116.67 108.96 1nd6 s ASP 3018Ca -0.03 -0.74 -0.02 0.00 0.43 0.00 0.00 52.55 52.19 1nd6 s ASP 3018Cb 0.08 0.65 0.01 0.00 -0.30 0.00 0.00 42.92 43.37 1nd6 s ASP 3018CO 0.81 -1.26 0.29 1.07 -0.17 0.00 0.00 175.17 175.92 1nd6 n THR 3019N -0.54 0.00 -3.95 1.71 5.66 -1.26 -4.38 114.28 111.51 1nd6 n THR 3019Ca -0.06 -0.82 -0.28 0.00 -3.05 0.00 0.00 64.05 59.83 1nd6 n THR 3019Cb 0.60 0.55 -0.04 0.00 -1.55 0.00 0.00 70.33 69.89 1nd6 n THR 3019CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1nd6 s PHE 3020N -4.31 3.46 0.35 1.09 -0.12 -0.85 -4.82 117.98 112.78 1nd6 s PHE 3020Ca 0.13 0.16 0.14 0.00 -0.05 0.00 0.00 56.93 57.32 1nd6 s PHE 3020Cb -0.01 -1.69 1.03 0.00 -0.63 0.00 0.00 43.02 41.71 1nd6 s PHE 3020CO 0.10 0.55 1.70 -1.35 -0.05 0.00 0.00 175.22 176.17 1nd6 h PRO 3021N 2.63 0.41 -0.00 1.99 0.11 -1.89 -1.29 132.00 133.97 1nd6 h PRO 3021Ca -0.47 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 1nd6 h PRO 3021Cb 1.18 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1nd6 h PRO 3021CO 0.71 0.27 -0.78 1.15 -0.21 0.00 0.00 178.00 179.15 1nd6 h THR 3022N 0.43 1.53 -1.78 -1.15 2.02 -1.70 -3.46 112.91 108.79 1nd6 h THR 3022Ca 0.68 -2.58 -0.68 0.00 0.77 0.00 0.00 66.41 64.61 1nd6 h THR 3022Cb 1.52 2.40 0.03 0.00 -1.74 0.00 0.00 68.15 70.36 1nd6 h THR 3022CO -0.50 0.74 0.83 -0.67 0.37 0.00 0.00 175.52 176.30 1nd6 n ASP 3023N -3.65 2.55 0.20 4.18 -0.08 -0.49 -4.85 116.55 114.41 1nd6 n ASP 3023Ca -0.01 1.06 0.08 0.00 -1.51 0.00 0.00 54.79 54.41 1nd6 n ASP 3023Cb 0.75 -1.24 0.32 0.00 2.34 0.00 0.00 41.12 43.28 1nd6 n ASP 3023CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1nd6 h PRO 3024N 6.92 0.00 -5.85 -0.67 0.11 -1.90 -3.40 132.00 127.20 1nd6 h PRO 3024Ca -0.47 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.04 1nd6 h PRO 3024Cb 1.30 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.30 1nd6 h PRO 3024CO 0.91 0.27 0.72 0.42 -0.21 0.00 0.00 178.00 180.10 1nd6 s ILE 3025N -3.42 4.15 0.51 4.15 1.01 -1.26 -5.01 121.20 121.33 1nd6 s ILE 3025Ca 0.02 0.06 0.07 0.00 0.00 0.00 0.00 60.65 60.80 1nd6 s ILE 3025Cb 0.09 -4.72 0.05 0.00 0.01 0.00 0.00 42.46 37.88 1nd6 s ILE 3025CO 0.67 -1.49 0.71 -0.54 0.00 0.00 0.00 174.94 174.28 1nd6 s LYS 3026N 4.56 2.53 0.52 2.79 -0.14 -1.26 -4.96 119.74 123.76 1nd6 s LYS 3026Ca 0.29 -1.27 0.27 0.00 -1.36 0.00 0.00 55.97 53.90 1nd6 s LYS 3026Cb -0.13 -2.64 1.39 0.00 -1.68 0.00 0.00 37.83 34.77 1nd6 s LYS 3026CO 0.14 -0.62 1.92 1.49 -0.76 0.00 0.00 175.35 177.53 1nd6 h GLU 3027N 0.30 0.06 -0.05 1.68 4.81 -1.96 0.11 114.58 119.54 1nd6 h GLU 3027Ca -0.37 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.87 1nd6 h GLU 3027Cb 1.28 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 1nd6 h GLU 3027CO 0.45 0.04 0.06 0.77 -0.73 0.00 0.00 179.01 179.60 1nd6 h SER 3028N 0.06 0.00 1.12 1.04 0.02 -1.98 -1.88 113.55 111.93 1nd6 h SER 3028Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1nd6 h SER 3028Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1nd6 h SER 3028CO -0.03 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.46 1nd6 n SER 3029N -3.82 0.48 -4.61 3.07 7.64 0.40 -4.74 113.62 112.03 1nd6 n SER 3029Ca -0.02 0.56 -0.35 0.00 1.01 0.00 0.00 58.87 60.07 1nd6 n SER 3029Cb 0.15 -0.68 -0.10 0.00 -1.01 0.00 0.00 64.21 62.57 1nd6 n SER 3029CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1nd6 s TRP 3030N -3.10 3.24 0.43 1.43 0.52 -0.71 -5.00 118.94 115.75 1nd6 s TRP 3030Ca 0.10 0.04 0.27 0.00 0.02 0.00 0.00 56.10 56.52 1nd6 s TRP 3030Cb 0.13 -2.13 1.32 0.00 -1.15 0.00 0.00 33.47 31.65 1nd6 s TRP 3030CO 0.51 0.08 1.68 -1.35 0.02 0.00 0.00 176.95 177.89 1nd6 h PRO 3031N 7.02 0.18 -0.00 4.98 0.11 -1.86 -1.15 132.00 141.28 1nd6 h PRO 3031Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1nd6 h PRO 3031Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1nd6 h PRO 3031CO 0.68 0.12 -0.01 1.04 -0.21 0.00 0.00 178.00 179.62 1nd6 n GLN 3032N -4.64 -0.18 0.00 1.05 3.00 -1.26 -5.12 117.38 110.24 1nd6 n GLN 3032Ca 0.33 -0.66 0.00 0.00 -0.01 0.00 0.00 57.00 56.66 1nd6 n GLN 3032Cb 1.24 -1.04 0.00 0.00 0.00 0.00 0.00 30.24 30.44 1nd6 n GLN 3032CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1nd6 n GLY 3033N 0.23 -1.80 3.82 1.08 0.00 -0.44 -4.85 105.19 103.23 1nd6 n GLY 3033Ca 0.02 -1.78 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 1nd6 n GLY 3033CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nd6 s PHE 3034N 0.00 3.15 -1.39 1.61 2.99 -1.26 -4.06 117.98 119.01 1nd6 s PHE 3034Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 56.93 58.42 1nd6 s PHE 3034Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 43.02 40.09 1nd6 s PHE 3034CO 0.00 -0.86 0.00 0.41 -0.00 0.00 0.00 175.22 174.77 1nd6 n GLY 3035N -1.19 -0.22 3.60 4.36 0.00 0.36 -4.90 105.19 107.19 1nd6 n GLY 3035Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1nd6 n GLY 3035CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nd6 s GLN 3036N -4.80 2.62 0.07 1.61 2.00 -1.26 -4.57 119.66 115.33 1nd6 s GLN 3036Ca 0.00 -0.67 -0.31 0.00 -2.00 0.00 0.00 55.36 52.39 1nd6 s GLN 3036Cb 0.00 -2.53 -0.07 0.00 0.80 0.00 0.00 33.01 31.21 1nd6 s GLN 3036CO 0.00 0.62 1.40 -1.17 -0.50 0.00 0.00 175.29 175.64 1nd6 s LEU 3037N -1.25 4.35 0.85 3.68 2.96 -1.26 -0.29 118.68 127.72 1nd6 s LEU 3037Ca 0.16 2.24 -0.09 0.00 -0.22 0.00 0.00 54.13 56.22 1nd6 s LEU 3037Cb -0.11 -3.57 0.17 0.00 0.50 0.00 0.00 46.19 43.17 1nd6 s LEU 3037CO 0.06 -0.69 1.17 0.42 -1.32 0.00 0.00 176.35 176.00 1nd6 s THR 3038N 1.70 2.06 0.21 3.68 -4.23 -0.21 -4.92 115.64 113.93 1nd6 s THR 3038Ca 0.65 -0.27 0.06 0.00 -1.18 0.00 0.00 61.69 60.95 1nd6 s THR 3038Cb -0.35 -2.79 -0.09 0.00 1.34 0.00 0.00 72.50 70.61 1nd6 s THR 3038CO 0.29 0.00 1.49 1.56 -0.54 0.00 0.00 174.62 177.41 1nd6 h GLN 3039N -1.13 0.11 0.00 3.99 4.20 -1.96 -2.41 115.11 117.91 1nd6 h GLN 3039Ca -0.41 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.21 1nd6 h GLN 3039Cb 1.25 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 1nd6 h GLN 3039CO 0.39 0.80 -0.05 1.25 -0.67 0.00 0.00 178.83 180.56 1nd6 h LEU 3040N 0.07 -0.13 -1.00 1.46 5.85 -1.93 -0.82 115.31 118.80 1nd6 h LEU 3040Ca -0.02 0.02 0.17 0.00 0.84 0.00 0.00 57.88 58.89 1nd6 h LEU 3040Cb 1.31 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.30 1nd6 h LEU 3040CO 0.11 -0.07 0.61 1.23 -0.34 0.00 0.00 178.44 179.97 1nd6 h GLY 3041N -0.09 1.74 1.05 3.75 0.00 -1.58 0.29 103.07 108.23 1nd6 h GLY 3041Ca 0.02 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 1nd6 h GLY 3041CO -0.05 -0.01 0.29 -0.33 0.00 0.00 0.00 176.54 176.45 1nd6 h MET 3042N 0.82 1.19 -0.58 4.80 2.86 -0.82 -2.01 114.93 121.18 1nd6 h MET 3042Ca 0.55 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.94 1nd6 h MET 3042Cb 0.78 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 1nd6 h MET 3042CO -0.35 0.97 0.26 0.93 1.06 0.00 0.00 176.91 179.78 1nd6 h GLU 3043N 1.15 0.85 -0.61 1.72 5.08 0.86 -1.13 114.58 122.50 1nd6 h GLU 3043Ca 0.26 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1nd6 h GLU 3043Cb 0.25 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1nd6 h GLU 3043CO -0.02 0.70 0.39 1.96 -1.00 0.00 0.00 179.01 181.04 1nd6 h GLN 3044N 0.79 0.75 0.00 2.33 4.20 -0.47 -0.00 115.11 122.70 1nd6 h GLN 3044Ca 0.20 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1nd6 h GLN 3044Cb 0.15 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 1nd6 h GLN 3044CO -0.02 0.50 -0.14 0.45 -0.67 0.00 0.00 178.83 178.95 1nd6 h HIS 3045N 0.77 0.00 -0.29 2.96 3.86 -1.25 -1.34 115.15 119.87 1nd6 h HIS 3045Ca 0.23 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.31 1nd6 h HIS 3045Cb -0.03 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.44 1nd6 h HIS 3045CO -0.04 0.14 -0.34 -0.92 0.86 0.00 0.00 177.93 177.62 1nd6 h TYR 3046N 0.00 0.90 -0.43 2.45 3.20 -0.68 -0.23 116.97 122.19 1nd6 h TYR 3046Ca -0.00 -0.29 -0.09 0.00 3.14 0.00 0.00 58.73 61.49 1nd6 h TYR 3046Cb 1.02 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 1nd6 h TYR 3046CO 0.00 1.05 -0.10 1.49 -1.64 0.00 0.00 178.16 178.96 1nd6 h GLU 3047N 0.49 0.76 -0.56 1.82 4.22 -0.86 -1.57 114.58 118.88 1nd6 h GLU 3047Ca 0.04 -0.25 -0.11 0.00 0.08 0.00 0.00 59.36 59.12 1nd6 h GLU 3047Cb 0.93 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1nd6 h GLU 3047CO 0.08 0.84 -0.07 1.25 -2.18 0.00 0.00 179.01 178.92 1nd6 h LEU 3048N 0.69 1.03 -1.11 1.64 6.46 -1.06 -0.65 115.31 122.31 1nd6 h LEU 3048Ca 0.12 -0.34 0.01 0.00 -0.12 0.00 0.00 57.88 57.55 1nd6 h LEU 3048Cb 0.57 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 40.18 1nd6 h LEU 3048CO 0.04 1.12 0.58 1.23 -0.62 0.00 0.00 178.44 180.79 1nd6 h GLY 3049N 0.92 1.25 1.26 3.75 0.00 -0.57 -0.39 103.07 109.28 1nd6 h GLY 3049Ca 0.15 -0.48 -0.15 0.00 0.00 0.00 0.00 47.33 46.85 1nd6 h GLY 3049CO 0.04 0.47 -0.38 0.83 0.00 0.00 0.00 176.54 177.50 1nd6 h GLU 3050N 1.21 0.81 -0.27 4.80 5.08 -0.94 -0.91 114.58 124.36 1nd6 h GLU 3050Ca 0.32 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1nd6 h GLU 3050Cb -0.12 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1nd6 h GLU 3050CO -0.07 1.05 0.12 -0.92 -1.00 0.00 0.00 179.01 178.20 1nd6 h TYR 3051N 0.67 0.40 -0.69 4.33 3.20 -0.46 -1.62 116.97 122.80 1nd6 h TYR 3051Ca 0.06 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 1nd6 h TYR 3051Cb 0.94 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 1nd6 h TYR 3051CO 0.05 0.39 0.16 0.82 -1.64 0.00 0.00 178.16 177.95 1nd6 h ILE 3052N 0.30 1.26 -0.67 1.81 2.04 -1.04 -1.08 117.51 120.13 1nd6 h ILE 3052Ca 0.09 -0.97 0.05 0.00 1.00 0.00 0.00 64.86 65.03 1nd6 h ILE 3052Cb 0.15 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 1nd6 h ILE 3052CO -0.01 0.37 0.39 -0.09 0.00 0.00 0.00 178.15 178.81 1nd6 h ARG 3053N 1.05 0.71 0.19 2.37 2.43 -0.85 -1.05 114.38 119.22 1nd6 h ARG 3053Ca 0.22 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1nd6 h ARG 3053Cb 0.38 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1nd6 h ARG 3053CO 0.00 0.47 -0.09 0.87 -1.51 0.00 0.00 179.97 179.71 1nd6 h LYS 3054N 0.73 -0.24 -0.09 0.20 1.57 -0.95 -0.18 116.57 117.61 1nd6 h LYS 3054Ca 0.29 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.12 1nd6 h LYS 3054Cb 0.15 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1nd6 h LYS 3054CO -0.16 0.09 0.15 -0.09 -0.57 0.00 0.00 179.45 178.87 1nd6 h ARG 3055N -0.61 0.00 0.00 3.15 2.43 -0.94 -2.04 114.38 116.37 1nd6 h ARG 3055Ca -0.03 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1nd6 h ARG 3055Cb 0.45 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 1nd6 h ARG 3055CO 0.04 0.00 -0.32 0.66 -1.51 0.00 0.00 179.97 178.84 1nd6 n TYR 3056N -3.53 0.00 0.34 2.20 0.53 -0.42 -4.75 117.16 111.53 1nd6 n TYR 3056Ca -0.00 -1.06 0.21 0.00 -1.02 0.00 0.00 57.90 56.02 1nd6 n TYR 3056Cb 0.25 -0.18 1.10 0.00 -1.03 0.00 0.00 39.34 39.48 1nd6 n TYR 3056CO 0.00 0.00 0.00 0.07 -1.02 0.00 0.00 176.86 175.91 1nd6 h ARG 3057N 0.46 0.00 0.00 -0.72 0.11 -0.25 0.45 114.38 114.43 1nd6 h ARG 3057Ca -0.02 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.79 1nd6 h ARG 3057Cb 1.11 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.14 1nd6 h ARG 3057CO 0.01 0.00 -2.18 1.63 0.10 0.00 0.00 179.97 179.53 1nd6 n LYS 3058N -3.05 0.97 0.08 0.08 5.02 -1.26 -4.15 118.16 115.84 1nd6 n LYS 3058Ca -0.03 -0.04 -0.19 0.00 -2.02 0.00 0.00 58.31 56.04 1nd6 n LYS 3058Cb 0.16 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.61 1nd6 n LYS 3058CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1nd6 h PHE 3059N 0.00 0.86 -2.97 2.13 3.57 -1.53 -3.37 116.94 115.64 1nd6 h PHE 3059Ca -0.40 -0.52 -0.63 0.00 3.53 0.00 0.00 57.97 59.95 1nd6 h PHE 3059Cb 1.90 -0.08 -0.41 0.00 2.79 0.00 0.00 35.95 40.15 1nd6 h PHE 3059CO 0.00 1.36 -0.49 1.28 -2.23 0.00 0.00 178.31 178.23 1nd6 n LEU 3060N -3.76 3.38 -2.23 0.59 4.32 0.14 -4.93 117.00 114.52 1nd6 n LEU 3060Ca -0.11 -5.24 -0.29 0.00 -0.02 0.00 0.00 56.01 50.34 1nd6 n LEU 3060Cb 0.93 -0.80 0.12 0.00 -1.62 0.00 0.00 43.42 42.05 1nd6 n LEU 3060CO 0.55 1.78 1.30 -0.46 -1.22 0.00 0.00 177.39 179.35 1nd6 n ASN 3061N 1.81 6.02 -2.76 -1.43 6.94 -1.26 -4.49 115.26 120.10 1nd6 n ASN 3061Ca 0.22 -3.73 -0.02 0.00 -0.02 0.00 0.00 54.58 51.03 1nd6 n ASN 3061Cb 0.36 -0.89 0.08 0.00 -2.36 0.00 0.00 39.78 36.98 1nd6 n ASN 3061CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1nd6 n GLU 3062N -0.99 1.52 -0.29 -3.83 1.02 -1.26 -5.09 120.64 111.71 1nd6 n GLU 3062Ca 0.60 -2.61 0.00 0.00 -0.02 0.00 0.00 57.16 55.13 1nd6 n GLU 3062Cb 1.03 -0.79 0.00 0.00 -0.02 0.00 0.00 31.44 31.65 1nd6 n GLU 3062CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1nd6 n SER 3063N -0.87 0.00 -1.33 1.62 2.88 -1.26 -4.39 113.62 110.26 1nd6 n SER 3063Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1nd6 n SER 3063Cb 0.83 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.29 1nd6 n SER 3063CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nd6 n TYR 3064N 0.62 0.00 -3.64 0.66 9.36 -1.26 -5.04 117.16 117.86 1nd6 n TYR 3064Ca 0.00 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.03 1nd6 n TYR 3064Cb 0.00 -0.44 -0.16 0.00 -0.63 0.00 0.00 39.34 38.10 1nd6 n TYR 3064CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1nd6 s LYS 3065N -0.07 0.02 0.51 2.98 1.02 -1.26 -5.05 119.74 117.89 1nd6 s LYS 3065Ca 0.00 0.38 0.37 0.00 0.02 0.00 0.00 55.97 56.74 1nd6 s LYS 3065Cb 0.00 -0.67 1.53 0.00 -0.52 0.00 0.00 37.83 38.17 1nd6 s LYS 3065CO 0.00 -0.40 1.70 1.12 -0.92 0.00 0.00 175.35 176.84 1nd6 h HIS 3066N 8.39 0.18 0.00 3.18 2.07 -1.97 0.48 115.15 127.48 1nd6 h HIS 3066Ca -0.13 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.39 1nd6 h HIS 3066Cb 1.13 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.06 1nd6 h HIS 3066CO 0.37 -0.04 0.00 -0.85 -3.07 0.00 0.00 177.93 174.35 1nd6 n GLU 3067N -4.27 0.15 -0.03 5.12 0.00 -1.26 -3.55 120.64 116.80 1nd6 n GLU 3067Ca 0.34 0.22 0.05 0.00 0.00 0.00 0.00 57.16 57.76 1nd6 n GLU 3067Cb 1.47 -1.71 -0.15 0.00 0.00 0.00 0.00 31.44 31.05 1nd6 n GLU 3067CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1nd6 n GLN 3068N -1.98 0.71 -4.25 3.44 6.02 0.16 -3.87 117.38 117.61 1nd6 n GLN 3068Ca 0.05 -0.13 -0.17 0.00 -0.01 0.00 0.00 57.00 56.73 1nd6 n GLN 3068Cb 0.33 -1.47 -0.13 0.00 1.02 0.00 0.00 30.24 29.98 1nd6 n GLN 3068CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1nd6 s VAL 3069N -3.12 0.80 -0.03 5.09 1.01 -1.08 -0.20 120.40 122.87 1nd6 s VAL 3069Ca -0.08 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 1nd6 s VAL 3069Cb 0.11 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.77 1nd6 s VAL 3069CO 0.81 -0.05 0.02 -0.47 0.00 0.00 0.00 175.10 175.41 1nd6 s TYR 3070N -0.79 0.13 -0.10 5.22 5.04 -0.58 -4.70 117.35 121.56 1nd6 s TYR 3070Ca -0.01 0.09 0.03 0.00 -2.44 0.00 0.00 57.07 54.74 1nd6 s TYR 3070Cb -0.07 -0.32 -0.01 0.00 0.35 0.00 0.00 41.96 41.92 1nd6 s TYR 3070CO 0.01 -0.11 -0.20 0.42 -1.34 0.00 0.00 175.55 174.33 1nd6 s ILE 3071N 1.15 2.46 -0.04 3.14 1.09 -1.26 -0.58 121.20 127.16 1nd6 s ILE 3071Ca -0.08 -0.88 0.04 0.00 -1.10 0.00 0.00 60.65 58.62 1nd6 s ILE 3071Cb -0.13 -1.98 -0.00 0.00 -1.06 0.00 0.00 42.46 39.29 1nd6 s ILE 3071CO -0.03 0.55 -0.14 -0.60 -0.10 0.00 0.00 174.94 174.62 1nd6 s ARG 3072N 0.25 1.49 0.05 2.79 3.00 0.12 -1.46 118.95 125.20 1nd6 s ARG 3072Ca -0.13 -0.50 -0.03 0.00 -1.00 0.00 0.00 55.73 54.06 1nd6 s ARG 3072Cb -0.17 -1.33 -0.02 0.00 0.00 0.00 0.00 34.95 33.44 1nd6 s ARG 3072CO 0.07 0.20 0.04 0.45 0.00 0.00 0.00 175.30 176.06 1nd6 s SER 3073N 0.09 0.32 0.64 -2.12 0.15 -0.46 -0.19 113.70 112.13 1nd6 s SER 3073Ca -0.03 -0.77 -0.13 0.00 0.70 0.00 0.00 55.95 55.72 1nd6 s SER 3073Cb -0.10 0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 64.41 1nd6 s SER 3073CO 0.02 -0.57 1.05 0.42 1.20 0.00 0.00 173.24 175.36 1nd6 s THR 3074N -3.31 4.06 -1.24 6.45 -4.23 -1.00 -4.11 115.64 112.25 1nd6 s THR 3074Ca 0.01 0.79 -0.08 0.00 -1.18 0.00 0.00 61.69 61.23 1nd6 s THR 3074Cb 0.03 -3.46 -0.07 0.00 1.34 0.00 0.00 72.50 70.34 1nd6 s THR 3074CO -0.08 -0.76 2.95 -0.67 -0.54 0.00 0.00 174.62 175.53 1nd6 n ASP 3075N -2.61 7.95 -4.23 3.99 2.03 -1.25 -4.26 116.55 118.17 1nd6 n ASP 3075Ca 0.08 -2.70 -0.26 0.00 0.52 0.00 0.00 54.79 52.42 1nd6 n ASP 3075Cb 0.53 -1.48 -0.15 0.00 -0.72 0.00 0.00 41.12 39.30 1nd6 n ASP 3075CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1nd6 s VAL 3076N 1.10 1.62 0.26 5.18 1.01 -1.26 -4.76 120.40 123.56 1nd6 s VAL 3076Ca 0.66 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 1nd6 s VAL 3076Cb 0.21 -1.37 0.25 0.00 0.00 0.00 0.00 36.38 35.47 1nd6 s VAL 3076CO -0.07 0.37 1.85 0.44 0.00 0.00 0.00 175.10 177.69 1nd6 h ASP 3077N 5.37 0.89 -0.44 3.32 3.45 -1.90 -1.24 116.42 125.86 1nd6 h ASP 3077Ca -0.40 0.03 -0.09 0.00 0.43 0.00 0.00 57.03 57.00 1nd6 h ASP 3077Cb 1.15 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 39.75 1nd6 h ASP 3077CO 0.46 0.52 -0.06 0.08 -1.57 0.00 0.00 179.24 178.68 1nd6 h ARG 3078N 1.00 0.88 -0.10 3.56 0.11 -1.95 0.16 114.38 118.03 1nd6 h ARG 3078Ca 0.44 -0.28 -0.22 0.00 0.10 0.00 0.00 59.98 60.02 1nd6 h ARG 3078Cb 0.32 -0.08 0.01 0.00 1.11 0.00 0.00 29.97 31.32 1nd6 h ARG 3078CO -0.22 0.92 -0.80 1.79 0.10 0.00 0.00 179.97 181.76 1nd6 h THR 3079N 0.80 1.32 -0.32 0.08 1.35 -1.75 -1.29 112.91 113.10 1nd6 h THR 3079Ca 0.14 -2.09 -0.01 0.00 -0.55 0.00 0.00 66.41 63.90 1nd6 h THR 3079Cb 0.57 2.09 -0.01 0.00 -1.73 0.00 0.00 68.15 69.06 1nd6 h THR 3079CO 0.03 0.65 0.16 -0.07 -0.25 0.00 0.00 175.52 176.04 1nd6 h LEU 3080N 0.42 0.42 -0.64 3.87 3.38 -1.04 -1.43 115.31 120.29 1nd6 h LEU 3080Ca -0.05 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 1nd6 h LEU 3080Cb 1.41 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1nd6 h LEU 3080CO 0.15 0.42 -0.26 0.24 0.09 0.00 0.00 178.44 179.08 1nd6 h MET 3081N 0.38 0.79 -0.73 1.13 2.86 -0.72 -2.24 114.93 116.40 1nd6 h MET 3081Ca 0.11 -0.34 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 1nd6 h MET 3081Cb 0.11 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 1nd6 h MET 3081CO -0.01 0.96 0.33 0.77 1.06 0.00 0.00 176.91 180.01 1nd6 h SER 3082N 0.68 0.98 -0.19 1.22 0.02 -1.04 0.00 113.55 115.22 1nd6 h SER 3082Ca 0.09 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1nd6 h SER 3082Cb 0.79 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1nd6 h SER 3082CO 0.06 0.86 0.11 0.00 -1.14 0.00 0.00 176.83 176.72 1nd6 h ALA 3083N 1.16 0.24 -0.40 3.77 0.00 -1.11 0.21 119.26 123.13 1nd6 h ALA 3083Ca 0.25 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1nd6 h ALA 3083Cb 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1nd6 h ALA 3083CO -0.03 -0.23 -0.14 0.52 0.00 0.00 0.00 179.25 179.38 1nd6 h MET 3084N 0.21 0.73 -0.11 0.00 2.86 -1.10 -1.51 114.93 116.00 1nd6 h MET 3084Ca 0.07 -0.25 -0.14 0.00 -2.06 0.00 0.00 59.70 57.32 1nd6 h MET 3084Cb 0.06 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1nd6 h MET 3084CO -0.01 0.84 -0.53 1.15 1.06 0.00 0.00 176.91 179.41 1nd6 h THR 3085N 0.66 1.35 0.52 2.22 2.02 -0.84 -2.05 112.91 116.78 1nd6 h THR 3085Ca 0.11 -1.81 -0.03 0.00 0.77 0.00 0.00 66.41 65.46 1nd6 h THR 3085Cb 0.61 1.85 0.01 0.00 -1.74 0.00 0.00 68.15 68.87 1nd6 h THR 3085CO 0.04 0.54 -0.25 -1.13 0.37 0.00 0.00 175.52 175.10 1nd6 h ASN 3086N 0.25 -0.59 -0.06 4.18 -0.73 -0.64 -3.00 115.58 115.00 1nd6 h ASN 3086Ca 0.01 -0.04 0.02 0.00 1.87 0.00 0.00 56.30 58.16 1nd6 h ASN 3086Cb 1.02 0.15 -0.00 0.00 0.27 0.00 0.00 38.32 39.76 1nd6 h ASN 3086CO 0.09 -0.32 0.05 -0.07 -0.37 0.00 0.00 177.43 176.81 1nd6 h LEU 3087N -0.83 0.00 -1.76 0.34 3.38 -1.24 -0.75 115.31 114.44 1nd6 h LEU 3087Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1nd6 h LEU 3087Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1nd6 h LEU 3087CO 0.12 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.65 1nd6 h ALA 3088N 1.96 1.00 0.00 1.53 0.00 -1.22 -0.68 119.26 121.85 1nd6 h ALA 3088Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.59 1nd6 h ALA 3088Cb 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1nd6 h ALA 3088CO -0.00 0.00 -2.30 0.00 0.00 0.00 0.00 179.25 176.95 1nd6 n ALA 3089N -2.00 1.52 -0.07 0.00 0.00 -0.36 -4.11 120.51 115.49 1nd6 n ALA 3089Ca -0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 53.44 52.18 1nd6 n ALA 3089Cb 0.20 -0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.49 1nd6 n ALA 3089CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1nd6 h LEU 3090N 0.00 0.43 -6.20 0.00 6.46 -1.11 -3.38 115.31 111.51 1nd6 h LEU 3090Ca -0.51 -0.40 -0.59 0.00 -0.12 0.00 0.00 57.88 56.25 1nd6 h LEU 3090Cb 2.01 -0.12 -0.41 0.00 -0.73 0.00 0.00 40.66 41.41 1nd6 h LEU 3090CO -0.02 0.74 -0.68 0.49 -0.62 0.00 0.00 178.44 178.35 1nd6 n PHE 3091N -4.57 2.92 -2.26 1.25 3.01 -0.28 -4.79 117.46 112.73 1nd6 n PHE 3091Ca -0.05 -4.06 -0.41 0.00 1.01 0.00 0.00 57.45 53.94 1nd6 n PHE 3091Cb 0.31 -0.52 -0.03 0.00 -0.01 0.00 0.00 39.48 39.23 1nd6 n PHE 3091CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1nd6 s PRO 3092N -2.20 4.43 0.22 -1.08 0.04 -1.26 -4.69 135.00 130.46 1nd6 s PRO 3092Ca 0.38 2.01 -0.32 0.00 0.04 0.00 0.00 61.00 63.11 1nd6 s PRO 3092Cb 0.14 -3.19 -0.13 0.00 0.04 0.00 0.00 34.50 31.36 1nd6 s PRO 3092CO -0.04 -0.16 1.52 -0.35 0.04 0.00 0.00 177.00 178.01 1nd6 n PRO 3093N 2.24 2.24 -3.97 0.56 -0.04 -1.26 -4.99 135.00 129.78 1nd6 n PRO 3093Ca 0.04 0.80 -0.11 0.00 -0.04 0.00 0.00 63.50 64.19 1nd6 n PRO 3093Cb 0.43 -2.53 -0.12 0.00 -0.04 0.00 0.00 33.50 31.24 1nd6 n PRO 3093CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1nd6 s GLU 3094N 0.18 0.26 6.26 0.54 -1.05 -1.26 -4.82 118.70 118.81 1nd6 s GLU 3094Ca 0.72 -0.42 0.00 0.00 -0.15 0.00 0.00 54.97 55.12 1nd6 s GLU 3094Cb -0.63 -0.02 0.00 0.00 -0.44 0.00 0.00 34.13 33.05 1nd6 s GLU 3094CO 0.44 -0.01 0.00 0.41 0.95 0.00 0.00 175.26 177.05 1nd6 n GLY 3095N 2.11 3.31 0.34 -3.83 0.00 -1.26 -2.36 105.19 103.50 1nd6 n GLY 3095Ca -0.20 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.73 1nd6 n GLY 3095CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1nd6 h VAL 3096N 0.00 1.00 0.00 1.61 3.04 -2.04 -2.33 116.25 117.53 1nd6 h VAL 3096Ca 0.00 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1nd6 h VAL 3096Cb 0.00 -0.07 0.00 0.00 -2.01 0.00 0.00 31.29 29.21 1nd6 h VAL 3096CO 0.00 0.18 0.00 -1.54 -1.01 0.00 0.00 177.57 175.20 1nd6 n SER 3097N -4.62 0.00 -4.41 3.17 3.41 -0.99 -4.45 113.62 105.73 1nd6 n SER 3097Ca 0.15 -0.27 -0.44 0.00 -0.26 0.00 0.00 58.87 58.05 1nd6 n SER 3097Cb 0.23 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.14 1nd6 n SER 3097CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1nd6 s ILE 3098N -2.00 4.64 -0.19 -1.33 1.01 -0.88 -4.58 121.20 117.87 1nd6 s ILE 3098Ca 0.01 -0.71 0.17 0.00 0.00 0.00 0.00 60.65 60.13 1nd6 s ILE 3098Cb 0.01 -4.55 0.03 0.00 0.01 0.00 0.00 42.46 37.96 1nd6 s ILE 3098CO 0.01 -1.22 1.24 4.11 0.00 0.00 0.00 174.94 179.07 1nd6 h TRP 3099N 9.31 0.00 -3.39 3.97 5.08 -1.89 -3.45 115.95 125.58 1nd6 h TRP 3099Ca -0.29 0.00 -0.67 0.00 1.08 0.00 0.00 58.89 59.01 1nd6 h TRP 3099Cb 1.08 0.00 -0.33 0.00 -3.00 0.00 0.00 29.16 26.91 1nd6 h TRP 3099CO 0.88 0.41 -0.88 1.21 -1.28 0.00 0.00 178.44 178.79 1nd6 s ASN 3100N -6.11 3.00 0.03 0.11 3.84 -1.26 -5.06 114.94 109.49 1nd6 s ASN 3100Ca 0.02 -0.54 -0.30 0.00 0.21 0.00 0.00 52.86 52.25 1nd6 s ASN 3100Cb 0.08 -1.33 -0.17 0.00 -0.55 0.00 0.00 41.25 39.28 1nd6 s ASN 3100CO 0.76 0.16 1.24 -0.65 -2.79 0.00 0.00 177.10 175.82 1nd6 h PRO 3101N 6.68 -1.04 0.00 0.43 0.11 -2.01 -3.31 132.00 132.87 1nd6 h PRO 3101Ca -0.21 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1nd6 h PRO 3101Cb 1.23 0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.58 1nd6 h PRO 3101CO 0.47 -0.69 0.00 0.44 -0.21 0.00 0.00 178.00 178.01 1nd6 n ILE 3102N -5.49 0.06 -3.81 4.15 -5.35 -1.26 -4.65 119.36 103.01 1nd6 n ILE 3102Ca -0.13 0.01 -0.29 0.00 -0.27 0.00 0.00 62.75 62.07 1nd6 n ILE 3102Cb 0.42 -0.56 -0.16 0.00 -1.74 0.00 0.00 39.64 37.61 1nd6 n ILE 3102CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1nd6 s LEU 3103N -2.32 1.99 -1.36 7.28 2.96 -1.25 -5.04 118.68 120.94 1nd6 s LEU 3103Ca 0.34 -1.17 -0.12 0.00 -0.22 0.00 0.00 54.13 52.95 1nd6 s LEU 3103Cb 0.19 -0.88 0.10 0.00 0.50 0.00 0.00 46.19 46.10 1nd6 s LEU 3103CO 0.38 -0.31 2.01 0.18 -1.32 0.00 0.00 176.35 177.29 1nd6 n LEU 3104N 4.85 6.57 -3.68 -0.68 4.77 -1.26 -4.52 117.00 123.06 1nd6 n LEU 3104Ca -0.08 -4.35 -0.15 0.00 -0.03 0.00 0.00 56.01 51.41 1nd6 n LEU 3104Cb 0.45 -1.59 -0.08 0.00 -2.33 0.00 0.00 43.42 39.87 1nd6 n LEU 3104CO 0.14 1.14 0.18 0.86 -1.33 0.00 0.00 177.39 178.38 1nd6 s TRP 3105N 2.03 -0.42 0.02 -1.77 -0.00 -1.26 -4.51 118.94 113.03 1nd6 s TRP 3105Ca 0.44 0.83 0.03 0.00 -0.00 0.00 0.00 56.10 57.40 1nd6 s TRP 3105Cb 0.11 0.21 -0.02 0.00 -0.00 0.00 0.00 33.47 33.77 1nd6 s TRP 3105CO -0.04 -0.41 -0.10 1.14 -0.00 0.00 0.00 176.95 177.55 1nd6 s GLN 3106N -0.80 0.71 -0.11 5.86 -2.07 -1.26 -4.82 119.66 117.18 1nd6 s GLN 3106Ca -0.09 -0.56 -0.30 0.00 -1.82 0.00 0.00 55.36 52.59 1nd6 s GLN 3106Cb -0.03 -0.65 -0.03 0.00 -1.09 0.00 0.00 33.01 31.20 1nd6 s GLN 3106CO 0.05 0.16 1.37 -1.25 -1.32 0.00 0.00 175.29 174.30 1nd6 s PRO 3107N -0.86 4.24 -0.19 9.60 0.04 -1.26 -4.95 135.00 141.62 1nd6 s PRO 3107Ca -0.01 1.82 0.01 0.00 0.04 0.00 0.00 61.00 62.87 1nd6 s PRO 3107Cb -0.06 -3.77 0.04 0.00 0.04 0.00 0.00 34.50 30.74 1nd6 s PRO 3107CO 0.00 -0.70 -0.12 0.42 0.04 0.00 0.00 177.00 176.65 1nd6 s ILE 3108N 3.37 1.66 0.16 0.56 1.01 -1.26 -5.10 121.20 121.60 1nd6 s ILE 3108Ca 0.60 -0.93 -0.34 0.00 0.00 0.00 0.00 60.65 59.98 1nd6 s ILE 3108Cb -0.26 -1.68 -0.15 0.00 0.01 0.00 0.00 42.46 40.38 1nd6 s ILE 3108CO 0.20 0.25 1.41 -0.81 0.00 0.00 0.00 174.94 176.00 1nd6 n PRO 3109N 4.69 1.69 -4.00 2.79 -0.04 -1.26 -4.98 135.00 133.90 1nd6 n PRO 3109Ca -0.16 0.61 -0.32 0.00 -0.04 0.00 0.00 63.50 63.60 1nd6 n PRO 3109Cb 0.47 -2.28 -0.15 0.00 -0.04 0.00 0.00 33.50 31.51 1nd6 n PRO 3109CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1nd6 s VAL 3110N 0.43 2.40 0.50 0.52 1.01 -1.26 -4.39 120.40 119.60 1nd6 s VAL 3110Ca 0.77 -2.23 -0.20 0.00 0.00 0.00 0.00 61.98 60.32 1nd6 s VAL 3110Cb -0.78 -2.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.81 1nd6 s VAL 3110CO 0.45 -0.55 1.08 -1.00 0.00 0.00 0.00 175.10 175.08 1nd6 s HIS 3111N 0.95 2.89 0.30 5.22 3.76 -0.53 -4.88 115.29 123.00 1nd6 s HIS 3111Ca 0.09 1.57 -0.12 0.00 -0.15 0.00 0.00 55.06 56.45 1nd6 s HIS 3111Cb -0.20 -3.16 0.01 0.00 1.11 0.00 0.00 32.58 30.34 1nd6 s HIS 3111CO -0.07 -1.12 0.57 -0.08 -0.85 0.00 0.00 174.74 173.19 1nd6 s THR 3112N -1.87 0.00 0.01 1.30 -1.32 -1.26 -1.36 115.64 111.14 1nd6 s THR 3112Ca 0.69 -1.33 -0.00 0.00 -1.21 0.00 0.00 61.69 59.83 1nd6 s THR 3112Cb -0.20 -2.43 -0.01 0.00 -1.51 0.00 0.00 72.50 68.35 1nd6 s THR 3112CO 0.23 0.00 -0.01 -0.69 -2.21 0.00 0.00 174.62 171.94 1nd6 s VAL 3113N -3.41 0.06 0.37 5.08 1.01 -1.26 -5.02 120.40 117.22 1nd6 s VAL 3113Ca 0.22 -0.52 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 1nd6 s VAL 3113Cb -0.02 -0.16 -0.12 0.00 0.00 0.00 0.00 36.38 36.08 1nd6 s VAL 3113CO 0.12 -0.28 1.28 -0.81 0.00 0.00 0.00 175.10 175.41 1nd6 n PRO 3114N 2.23 2.08 -0.30 2.72 -0.04 -1.26 -3.74 135.00 136.69 1nd6 n PRO 3114Ca -0.19 0.73 0.12 0.00 -0.04 0.00 0.00 63.50 64.12 1nd6 n PRO 3114Cb 0.57 -2.35 0.29 0.00 -0.04 0.00 0.00 33.50 31.97 1nd6 n PRO 3114CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1nd6 h LEU 3115N 2.42 0.19 -0.65 1.53 3.38 -1.97 0.23 115.31 120.43 1nd6 h LEU 3115Ca -0.47 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1nd6 h LEU 3115Cb 1.29 0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1nd6 h LEU 3115CO 0.62 -0.06 0.00 -1.54 0.09 0.00 0.00 178.44 177.55 1nd6 n SER 3116N -5.11 0.51 -0.02 -0.43 3.41 -1.26 -2.70 113.62 108.02 1nd6 n SER 3116Ca 0.21 0.64 0.01 0.00 -0.26 0.00 0.00 58.87 59.48 1nd6 n SER 3116Cb 0.64 -0.74 0.02 0.00 -0.26 0.00 0.00 64.21 63.87 1nd6 n SER 3116CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1nd6 n GLU 3117N -2.08 2.46 -2.23 4.33 1.02 0.67 -5.00 120.64 119.82 1nd6 n GLU 3117Ca 0.02 -1.55 -0.42 0.00 -0.02 0.00 0.00 57.16 55.19 1nd6 n GLU 3117Cb 0.18 -1.02 -0.03 0.00 -0.02 0.00 0.00 31.44 30.56 1nd6 n GLU 3117CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1nd6 s ASP 3118N -1.17 5.99 -0.40 1.62 -1.08 -0.36 -4.83 116.67 116.44 1nd6 s ASP 3118Ca 0.04 0.70 0.02 0.00 -0.52 0.00 0.00 52.55 52.79 1nd6 s ASP 3118Cb 0.04 -2.54 0.49 0.00 -1.46 0.00 0.00 42.92 39.45 1nd6 s ASP 3118CO 0.00 -1.74 1.81 0.00 0.52 0.00 0.00 175.17 175.76 1nd6 n GLN 3119N 8.53 2.09 0.00 4.34 6.02 -1.26 -4.57 117.38 132.53 1nd6 n GLN 3119Ca 0.17 -2.47 0.00 0.00 -0.01 0.00 0.00 57.00 54.70 1nd6 n GLN 3119Cb 0.49 -1.97 0.00 0.00 1.02 0.00 0.00 30.24 29.78 1nd6 n GLN 3119CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1nd6 n LEU 3120N -0.73 0.00 -0.02 1.08 7.94 -1.26 -4.95 117.00 119.06 1nd6 n LEU 3120Ca 0.49 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 55.42 1nd6 n LEU 3120Cb 1.24 0.37 -0.10 0.00 0.53 0.00 0.00 43.42 45.46 1nd6 n LEU 3120CO 0.53 -0.48 -0.71 0.18 -1.11 0.00 0.00 177.39 175.79 1nd6 n LEU 3121N -2.47 0.00 -3.50 -1.96 4.77 -1.26 -4.63 117.00 107.95 1nd6 n LEU 3121Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 1nd6 n LEU 3121Cb 0.00 0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1nd6 n LEU 3121CO 0.00 0.07 3.07 0.00 -1.33 0.00 0.00 177.39 179.20 1nd6 n TYR 3122N -2.07 2.89 -2.77 -1.77 -0.00 -1.26 -4.65 117.16 107.53 1nd6 n TYR 3122Ca -0.07 -3.04 -0.32 0.00 -0.00 0.00 0.00 57.90 54.48 1nd6 n TYR 3122Cb 0.47 -2.50 -0.05 0.00 -0.00 0.00 0.00 39.34 37.27 1nd6 n TYR 3122CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1nd6 s LEU 3123N 0.92 3.84 0.16 2.98 1.02 -1.26 -4.02 118.68 122.33 1nd6 s LEU 3123Ca 0.60 1.42 -0.27 0.00 0.02 0.00 0.00 54.13 55.90 1nd6 s LEU 3123Cb 0.16 -4.30 -0.08 0.00 0.02 0.00 0.00 46.19 42.00 1nd6 s LEU 3123CO -0.07 -0.41 0.85 -2.16 0.02 0.00 0.00 176.35 174.58 1nd6 s PRO 3124N -3.58 4.67 0.23 1.29 0.04 -1.26 -4.56 135.00 131.82 1nd6 s PRO 3124Ca 0.57 1.29 -0.32 0.00 0.04 0.00 0.00 61.00 62.58 1nd6 s PRO 3124Cb -0.10 -3.30 -0.12 0.00 0.04 0.00 0.00 34.50 31.02 1nd6 s PRO 3124CO 0.24 0.46 1.67 1.19 0.04 0.00 0.00 177.00 180.60 1nd6 n PHE 3125N 1.91 2.73 0.39 0.56 3.72 -1.26 -4.89 117.46 120.62 1nd6 n PHE 3125Ca -0.03 0.13 0.08 0.00 -0.05 0.00 0.00 57.45 57.58 1nd6 n PHE 3125Cb 0.48 -2.64 0.11 0.00 -0.94 0.00 0.00 39.48 36.50 1nd6 n PHE 3125CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1nd6 n ARG 3126N 3.37 1.69 -1.92 -1.08 3.00 -1.26 -4.53 116.66 115.93 1nd6 n ARG 3126Ca 0.14 -1.70 -0.34 0.00 -0.01 0.00 0.00 57.85 55.94 1nd6 n ARG 3126Cb 0.35 -1.33 0.04 0.00 0.00 0.00 0.00 32.46 31.52 1nd6 n ARG 3126CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1nd6 n ASN 3127N 0.91 6.61 -3.66 0.55 2.04 -1.26 -4.83 115.26 115.63 1nd6 n ASN 3127Ca 0.11 -3.79 -0.29 0.00 -0.44 0.00 0.00 54.58 50.17 1nd6 n ASN 3127Cb 0.43 -0.82 -0.14 0.00 -2.53 0.00 0.00 39.78 36.72 1nd6 n ASN 3127CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1nd6 h PRO 3129N 7.49 0.00 -0.33 0.00 0.11 -1.86 -1.50 132.00 135.91 1nd6 h PRO 3129Ca -0.07 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.10 1nd6 h PRO 3129Cb 0.98 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.04 1nd6 h PRO 3129CO 0.43 0.00 0.03 -0.09 -0.21 0.00 0.00 178.00 178.17 1nd6 h ARG 3130N 0.00 0.13 -0.65 1.05 9.65 -1.40 -1.31 114.38 121.86 1nd6 h ARG 3130Ca 0.29 -0.01 0.10 0.00 -1.10 0.00 0.00 59.98 59.27 1nd6 h ARG 3130Cb 0.45 -0.03 -0.08 0.00 -1.39 0.00 0.00 29.97 28.93 1nd6 h ARG 3130CO -0.63 0.09 0.26 0.35 2.80 0.00 0.00 179.97 182.84 1nd6 h PHE 3131N 0.13 0.46 -0.51 2.20 3.57 -1.57 0.93 116.94 122.15 1nd6 h PHE 3131Ca 0.16 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.70 1nd6 h PHE 3131Cb 0.20 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1nd6 h PHE 3131CO -0.21 0.12 0.34 1.96 -2.23 0.00 0.00 178.31 178.28 1nd6 h GLN 3132N 0.45 0.67 -0.60 1.11 1.08 -0.71 0.39 115.11 117.49 1nd6 h GLN 3132Ca 0.33 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.44 1nd6 h GLN 3132Cb 0.42 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 1nd6 h GLN 3132CO -0.32 0.44 0.16 0.93 -0.95 0.00 0.00 178.83 179.09 1nd6 h GLU 3133N 0.69 0.95 -0.39 1.46 5.08 0.20 -1.37 114.58 121.20 1nd6 h GLU 3133Ca 0.19 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1nd6 h GLU 3133Cb -0.08 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1nd6 h GLU 3133CO -0.04 0.87 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.75 1nd6 h LEU 3134N 0.86 0.60 0.12 1.33 3.38 0.32 0.21 115.31 122.12 1nd6 h LEU 3134Ca 0.19 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1nd6 h LEU 3134Cb 0.34 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1nd6 h LEU 3134CO -0.00 0.68 -0.06 -0.33 0.09 0.00 0.00 178.44 178.82 1nd6 h GLU 3135N 0.59 -0.15 -0.70 1.13 5.08 -0.59 0.15 114.58 120.09 1nd6 h GLU 3135Ca 0.12 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 1nd6 h GLU 3135Cb 0.40 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 1nd6 h GLU 3135CO 0.02 0.15 0.38 1.03 -1.00 0.00 0.00 179.01 179.58 1nd6 h SER 3136N -0.46 0.55 -0.58 1.42 0.87 -1.00 -1.00 113.55 113.35 1nd6 h SER 3136Ca -0.02 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1nd6 h SER 3136Cb 0.37 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 1nd6 h SER 3136CO 0.03 0.34 0.27 -0.33 -0.53 0.00 0.00 176.83 176.61 1nd6 h GLU 3137N 0.68 0.84 -0.57 2.24 5.08 -0.44 -2.84 114.58 119.57 1nd6 h GLU 3137Ca 0.32 -0.13 0.08 0.00 -1.00 0.00 0.00 59.36 58.64 1nd6 h GLU 3137Cb 0.25 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.29 1nd6 h GLU 3137CO -0.21 0.69 0.21 1.15 -1.00 0.00 0.00 179.01 179.85 1nd6 h THR 3138N 0.79 0.80 -0.73 1.13 2.02 0.57 -0.49 112.91 117.00 1nd6 h THR 3138Ca 0.20 -0.14 0.07 0.00 0.77 0.00 0.00 66.41 67.31 1nd6 h THR 3138Cb 0.13 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 1nd6 h THR 3138CO -0.02 0.07 0.48 -0.07 0.37 0.00 0.00 175.52 176.35 1nd6 h LEU 3139N 0.40 0.64 0.00 2.58 -0.00 -1.06 -1.98 115.31 115.89 1nd6 h LEU 3139Ca 0.28 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.17 1nd6 h LEU 3139Cb 0.33 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 1nd6 h LEU 3139CO -0.28 0.41 -0.61 0.11 -0.00 0.00 0.00 178.44 178.07 1nd6 h LYS 3140N 0.73 0.00 -6.94 1.13 1.57 -1.24 -3.42 116.57 108.40 1nd6 h LYS 3140Ca 0.32 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.55 1nd6 h LYS 3140Cb 0.31 0.00 0.12 0.00 0.08 0.00 0.00 32.23 32.74 1nd6 h LYS 3140CO -0.11 0.00 0.68 -1.13 -0.57 0.00 0.00 179.45 178.32 1nd6 n SER 3141N -2.29 3.29 0.22 0.86 3.41 -0.28 -4.88 113.62 113.95 1nd6 n SER 3141Ca 0.03 1.15 0.07 0.00 -0.26 0.00 0.00 58.87 59.86 1nd6 n SER 3141Cb 0.47 -1.59 0.51 0.00 -0.26 0.00 0.00 64.21 63.34 1nd6 n SER 3141CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1nd6 h GLU 3142N 2.44 0.00 -0.32 4.33 5.08 -1.91 -2.14 114.58 122.05 1nd6 h GLU 3142Ca -0.50 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.82 1nd6 h GLU 3142Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1nd6 h GLU 3142CO 0.62 0.25 0.05 1.49 -1.00 0.00 0.00 179.01 180.42 1nd6 h GLU 3143N 0.00 0.52 0.23 2.33 4.57 -1.91 -0.76 114.58 119.56 1nd6 h GLU 3143Ca -0.00 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 1nd6 h GLU 3143Cb 0.54 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1nd6 h GLU 3143CO 0.03 0.61 -0.11 0.35 -1.18 0.00 0.00 179.01 178.71 1nd6 h PHE 3144N 0.35 -0.29 -0.45 0.92 3.57 -1.72 -3.04 116.94 116.28 1nd6 h PHE 3144Ca 0.10 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.70 1nd6 h PHE 3144Cb 0.34 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1nd6 h PHE 3144CO 0.02 0.03 0.32 1.96 -2.23 0.00 0.00 178.31 178.41 1nd6 h GLN 3145N -0.62 0.11 -0.33 1.11 1.08 -1.40 -0.43 115.11 114.62 1nd6 h GLN 3145Ca -0.03 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.09 1nd6 h GLN 3145Cb 0.45 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 1nd6 h GLN 3145CO 0.05 0.07 -0.12 0.87 -0.95 0.00 0.00 178.83 178.76 1nd6 h LYS 3146N 0.11 0.57 0.02 1.46 6.56 -1.02 0.53 116.57 124.80 1nd6 h LYS 3146Ca 0.21 -0.17 -0.26 0.00 -1.06 0.00 0.00 60.65 59.38 1nd6 h LYS 3146Cb 0.70 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.27 1nd6 h LYS 3146CO -0.02 0.68 -1.36 0.00 -2.06 0.00 0.00 179.45 176.69 1nd6 h ARG 3147N 0.53 0.04 0.02 3.15 3.08 -1.08 -3.33 114.38 116.78 1nd6 h ARG 3147Ca 0.10 -0.07 -0.21 0.00 0.07 0.00 0.00 59.98 59.86 1nd6 h ARG 3147Cb 0.52 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1nd6 h ARG 3147CO 0.03 0.83 -0.95 1.25 -1.07 0.00 0.00 179.97 180.06 1nd6 h LEU 3148N 0.01 0.27 -0.84 3.04 5.85 -1.01 -3.37 115.31 119.26 1nd6 h LEU 3148Ca -0.15 -0.24 0.18 0.00 0.84 0.00 0.00 57.88 58.50 1nd6 h LEU 3148Cb 1.90 -0.08 -0.16 0.00 0.37 0.00 0.00 40.66 42.69 1nd6 h LEU 3148CO 0.12 1.08 -0.17 -0.74 -0.34 0.00 0.00 178.44 178.38 1nd6 h HIS 3149N 0.10 -0.38 -0.71 1.25 2.76 -1.01 -1.17 115.15 115.99 1nd6 h HIS 3149Ca -0.06 0.07 0.19 0.00 -2.20 0.00 0.00 60.37 58.37 1nd6 h HIS 3149Cb 1.61 0.30 -0.04 0.00 1.55 0.00 0.00 27.41 30.83 1nd6 h HIS 3149CO 0.03 -0.35 0.50 -1.35 -1.30 0.00 0.00 177.93 175.46 1nd6 h PRO 3150N 0.01 0.11 -0.61 5.26 0.11 -1.79 -0.97 132.00 134.12 1nd6 h PRO 3150Ca 0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1nd6 h PRO 3150Cb 0.67 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1nd6 h PRO 3150CO -0.85 0.08 0.00 0.66 -0.21 0.00 0.00 178.00 177.68 1nd6 n TYR 3151N -4.38 1.01 -0.18 0.65 4.02 -0.44 -4.57 117.16 113.27 1nd6 n TYR 3151Ca 0.14 -0.44 -0.01 0.00 -0.01 0.00 0.00 57.90 57.58 1nd6 n TYR 3151Cb 0.70 -0.11 0.09 0.00 -0.02 0.00 0.00 39.34 40.00 1nd6 n TYR 3151CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1nd6 h LYS 3152N 3.41 0.20 0.14 -0.72 6.56 -1.18 -1.34 116.57 123.63 1nd6 h LYS 3152Ca 0.00 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.57 1nd6 h LYS 3152Cb 1.02 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.64 1nd6 h LYS 3152CO 0.10 0.13 -0.07 -0.44 -2.06 0.00 0.00 179.45 177.11 1nd6 h ASP 3153N 0.20 -0.16 -0.91 0.86 5.19 -1.83 -2.77 116.42 117.00 1nd6 h ASP 3153Ca 0.28 -0.28 0.19 0.00 -0.62 0.00 0.00 57.03 56.60 1nd6 h ASP 3153Cb 0.42 0.04 -0.11 0.00 0.18 0.00 0.00 39.33 39.86 1nd6 h ASP 3153CO -0.40 0.21 0.48 0.15 -3.12 0.00 0.00 179.24 176.56 1nd6 h PHE 3154N -0.55 0.83 -0.41 4.55 3.57 -1.82 -0.11 116.94 122.99 1nd6 h PHE 3154Ca -0.02 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1nd6 h PHE 3154Cb 0.43 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1nd6 h PHE 3154CO 0.04 0.12 0.07 0.82 -2.23 0.00 0.00 178.31 177.13 1nd6 h ILE 3155N 0.59 1.24 -0.92 1.41 2.04 -1.24 0.14 117.51 120.76 1nd6 h ILE 3155Ca 0.54 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1nd6 h ILE 3155Cb 0.89 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 1nd6 h ILE 3155CO -0.43 0.30 0.53 0.00 0.00 0.00 0.00 178.15 178.55 1nd6 h ALA 3156N 0.93 1.17 0.07 1.87 0.00 -0.76 -1.92 119.26 120.62 1nd6 h ALA 3156Ca 0.13 -0.11 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 1nd6 h ALA 3156Cb 0.37 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1nd6 h ALA 3156CO 0.01 0.65 -1.11 1.79 0.00 0.00 0.00 179.25 180.58 1nd6 h THR 3157N 1.27 1.53 0.00 0.00 1.35 -1.17 -3.12 112.91 112.77 1nd6 h THR 3157Ca 0.33 -3.00 -0.00 0.00 -0.55 0.00 0.00 66.41 63.18 1nd6 h THR 3157Cb -0.02 2.80 -0.00 0.00 -1.73 0.00 0.00 68.15 69.20 1nd6 h THR 3157CO -0.06 0.87 -0.01 0.25 -0.25 0.00 0.00 175.52 176.33 1nd6 h LEU 3158N 0.08 0.00 -0.71 3.87 6.46 -0.39 -2.04 115.31 122.58 1nd6 h LEU 3158Ca -0.09 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.70 1nd6 h LEU 3158Cb 1.82 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.71 1nd6 h LEU 3158CO 0.18 0.01 0.44 1.23 -0.62 0.00 0.00 178.44 179.67 1nd6 h GLY 3159N 0.03 1.03 0.89 3.75 0.00 -1.29 -1.60 103.07 105.89 1nd6 h GLY 3159Ca -0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 1nd6 h GLY 3159CO 0.00 0.27 -0.35 1.70 0.00 0.00 0.00 176.54 178.16 1nd6 h LYS 3160N 0.85 0.57 -0.82 4.80 3.64 -1.51 0.24 116.57 124.35 1nd6 h LYS 3160Ca 0.29 -0.36 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1nd6 h LYS 3160Cb 0.04 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 1nd6 h LYS 3160CO -0.12 0.97 0.34 -0.07 -2.27 0.00 0.00 179.45 178.31 1nd6 h LEU 3161N 0.23 1.11 0.00 5.20 3.38 -1.40 -3.03 115.31 120.80 1nd6 h LEU 3161Ca 0.01 -0.16 -0.25 0.00 0.09 0.00 0.00 57.88 57.56 1nd6 h LEU 3161Cb 0.94 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1nd6 h LEU 3161CO 0.08 0.97 -1.40 0.77 0.09 0.00 0.00 178.44 178.95 1nd6 h SER 3162N 1.18 0.00 0.00 -0.43 4.64 -1.36 -3.44 113.55 114.13 1nd6 h SER 3162Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1nd6 h SER 3162Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1nd6 h SER 3162CO -0.03 0.98 0.00 0.61 -0.87 0.00 0.00 176.83 177.53 1nd6 n GLY 3163N 1.46 0.69 3.39 -0.77 0.00 -0.00 -2.05 105.19 107.92 1nd6 n GLY 3163Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1nd6 n GLY 3163CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nd6 s LEU 3164N 0.00 3.96 -0.00 0.99 1.43 -0.74 -4.86 118.68 119.46 1nd6 s LEU 3164Ca 0.00 -0.62 -0.06 0.00 -1.03 0.00 0.00 54.13 52.42 1nd6 s LEU 3164Cb 0.00 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 1nd6 s LEU 3164CO 0.00 -0.19 0.24 -1.00 0.23 0.00 0.00 176.35 175.63 1nd6 s HIS 3165N 1.55 3.57 0.00 0.29 3.76 -1.26 -3.99 115.29 119.21 1nd6 s HIS 3165Ca 0.04 0.52 0.00 0.00 -0.15 0.00 0.00 55.06 55.46 1nd6 s HIS 3165Cb -0.17 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.57 1nd6 s HIS 3165CO 0.04 0.63 0.00 0.41 -0.85 0.00 0.00 174.74 174.97 1nd6 n GLY 3166N 1.10 4.03 1.45 -2.22 0.00 -1.26 -4.94 105.19 103.34 1nd6 n GLY 3166Ca -0.11 -1.44 0.08 0.00 0.00 0.00 0.00 46.02 44.55 1nd6 n GLY 3166CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1nd6 n GLN 3167N -1.23 3.82 -2.15 1.61 7.27 -1.26 -4.93 117.38 120.51 1nd6 n GLN 3167Ca 0.00 -2.89 -0.41 0.00 0.07 0.00 0.00 57.00 53.78 1nd6 n GLN 3167Cb 0.00 -1.93 -0.03 0.00 2.41 0.00 0.00 30.24 30.69 1nd6 n GLN 3167CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1nd6 s ASP 3168N -1.10 5.75 0.36 1.69 2.15 -1.26 -4.88 116.67 119.38 1nd6 s ASP 3168Ca 0.48 0.62 0.10 0.00 0.43 0.00 0.00 52.55 54.18 1nd6 s ASP 3168Cb 0.34 -2.53 0.84 0.00 -0.30 0.00 0.00 42.92 41.26 1nd6 s ASP 3168CO 0.18 -1.94 1.86 -0.07 -0.17 0.00 0.00 175.17 175.03 1nd6 h LEU 3169N 14.45 0.64 -1.72 -1.34 3.38 -1.93 0.32 115.31 129.12 1nd6 h LEU 3169Ca -0.28 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1nd6 h LEU 3169Cb 1.14 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1nd6 h LEU 3169CO 1.15 0.31 0.05 0.15 0.09 0.00 0.00 178.44 180.18 1nd6 h PHE 3170N 0.67 0.22 0.01 1.13 3.57 -1.91 0.39 116.94 121.02 1nd6 h PHE 3170Ca 0.47 -0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.69 1nd6 h PHE 3170Cb 0.79 -0.07 0.02 0.00 2.79 0.00 0.00 35.95 39.48 1nd6 h PHE 3170CO -0.00 0.20 -1.06 0.78 -2.23 0.00 0.00 178.31 175.99 1nd6 h GLY 3171N 0.37 0.78 1.13 2.40 0.00 -0.81 -1.64 103.07 105.30 1nd6 h GLY 3171Ca 0.06 -1.39 -0.04 0.00 0.00 0.00 0.00 47.33 45.96 1nd6 h GLY 3171CO -0.00 1.23 0.33 -2.22 0.00 0.00 0.00 176.54 175.87 1nd6 h ILE 3172N 0.38 1.25 0.52 2.60 1.08 -0.35 -1.12 117.51 121.86 1nd6 h ILE 3172Ca -0.14 -0.74 -0.03 0.00 -0.39 0.00 0.00 64.86 63.56 1nd6 h ILE 3172Cb 1.72 0.31 0.01 0.00 -3.07 0.00 0.00 36.82 35.78 1nd6 h ILE 3172CO 0.21 0.31 -0.25 -0.25 -0.69 0.00 0.00 178.15 177.48 1nd6 h TRP 3173N 1.09 -0.64 -0.02 1.37 7.01 -0.24 -1.27 115.95 123.25 1nd6 h TRP 3173Ca 0.26 -0.02 -0.11 0.00 2.11 0.00 0.00 58.89 61.13 1nd6 h TRP 3173Cb 0.17 0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.42 1nd6 h TRP 3173CO 0.02 -0.40 -0.52 0.66 -2.79 0.00 0.00 178.44 175.41 1nd6 h SER 3174N -1.12 0.06 0.00 2.65 4.64 -1.34 -1.19 113.55 117.25 1nd6 h SER 3174Ca -0.07 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1nd6 h SER 3174Cb 0.53 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1nd6 h SER 3174CO 0.12 0.57 -1.19 0.29 -0.87 0.00 0.00 176.83 175.75 1nd6 n LYS 3175N -3.92 0.29 0.07 4.77 5.02 -0.43 -4.41 118.16 119.54 1nd6 n LYS 3175Ca -0.02 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1nd6 n LYS 3175Cb 0.54 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 1nd6 n LYS 3175CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1nd6 n VAL 3176N -1.65 0.93 0.44 -0.18 0.31 -0.92 -2.02 118.33 115.24 1nd6 n VAL 3176Ca 0.02 0.31 -0.17 0.00 -0.01 0.00 0.00 64.34 64.48 1nd6 n VAL 3176Cb 0.37 -1.33 -0.08 0.00 -0.91 0.00 0.00 33.84 31.89 1nd6 n VAL 3176CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1nd6 h TYR 3177N 0.00 -1.08 -0.42 3.52 3.20 -1.16 -2.88 116.97 118.16 1nd6 h TYR 3177Ca 0.00 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.92 1nd6 h TYR 3177Cb 0.00 0.36 -0.09 0.00 1.54 0.00 0.00 36.73 38.54 1nd6 h TYR 3177CO 0.00 -0.66 -0.43 0.22 -1.64 0.00 0.00 178.16 175.65 1nd6 h ASP 3178N -1.13 -1.43 -0.64 -2.11 3.58 -1.48 0.24 116.42 113.45 1nd6 h ASP 3178Ca -0.11 0.22 0.12 0.00 0.42 0.00 0.00 57.03 57.68 1nd6 h ASP 3178Cb 0.87 0.63 -0.09 0.00 1.72 0.00 0.00 39.33 42.46 1nd6 h ASP 3178CO 0.18 -0.37 0.15 -0.65 -2.88 0.00 0.00 179.24 175.67 1nd6 h PRO 3179N -0.32 0.27 -0.48 0.28 0.11 -1.76 0.13 132.00 130.22 1nd6 h PRO 3179Ca 0.14 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.15 1nd6 h PRO 3179Cb 0.58 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 1nd6 h PRO 3179CO -0.58 0.18 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.27 1nd6 h LEU 3180N 0.28 0.82 -0.03 2.35 3.38 -1.06 -0.44 115.31 120.60 1nd6 h LEU 3180Ca 0.34 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1nd6 h LEU 3180Cb 0.52 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1nd6 h LEU 3180CO -0.42 0.91 0.01 0.22 0.09 0.00 0.00 178.44 179.25 1nd6 h TYR 3181N 0.77 0.05 -0.28 1.13 3.20 0.94 0.63 116.97 123.41 1nd6 h TYR 3181Ca 0.14 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.06 1nd6 h TYR 3181Cb 0.53 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.73 1nd6 h TYR 3181CO 0.03 0.21 -0.06 0.00 -1.64 0.00 0.00 178.16 176.70 1nd6 h GLU 3183N 0.01 0.64 -0.33 0.00 4.11 -0.98 -2.16 114.58 115.87 1nd6 h GLU 3183Ca 0.14 -0.26 -0.04 0.00 0.07 0.00 0.00 59.36 59.26 1nd6 h GLU 3183Cb 0.20 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1nd6 h GLU 3183CO -0.28 0.83 0.01 0.66 0.07 0.00 0.00 179.01 180.30 1nd6 h SER 3184N 0.55 0.46 -0.57 3.06 4.64 -0.14 -0.07 113.55 121.49 1nd6 h SER 3184Ca 0.08 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 1nd6 h SER 3184Cb 0.73 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 1nd6 h SER 3184CO 0.06 0.53 0.04 0.58 -0.87 0.00 0.00 176.83 177.16 1nd6 h VAL 3185N 0.48 1.26 -0.43 0.95 2.07 -0.37 -2.70 116.25 117.51 1nd6 h VAL 3185Ca 0.11 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.48 1nd6 h VAL 3185Cb 0.30 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1nd6 h VAL 3185CO 0.01 0.39 0.10 1.41 0.02 0.00 0.00 177.57 179.50 1nd6 n HIS 3186N -4.20 1.49 -1.67 1.57 8.25 -0.72 -4.91 115.22 115.03 1nd6 n HIS 3186Ca 0.03 -0.68 -0.17 0.00 -0.26 0.00 0.00 57.72 56.64 1nd6 n HIS 3186Cb 0.31 -0.44 -0.06 0.00 1.12 0.00 0.00 29.99 30.92 1nd6 n HIS 3186CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1nd6 n ASN 3187N 0.18 -5.11 -4.76 0.41 3.02 -0.75 -4.99 115.26 103.26 1nd6 n ASN 3187Ca 0.23 0.34 -0.40 0.00 -0.03 0.00 0.00 54.58 54.72 1nd6 n ASN 3187Cb 0.95 -4.16 -0.04 0.00 -0.61 0.00 0.00 39.78 35.93 1nd6 n ASN 3187CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1nd6 s PHE 3188N -2.69 3.54 0.03 3.10 0.40 -0.12 -4.97 117.98 117.27 1nd6 s PHE 3188Ca 0.00 1.66 -0.30 0.00 -0.60 0.00 0.00 56.93 57.69 1nd6 s PHE 3188Cb 0.00 -3.32 -0.05 0.00 0.51 0.00 0.00 43.02 40.16 1nd6 s PHE 3188CO 0.00 -0.67 1.20 0.99 0.70 0.00 0.00 175.22 177.44 1nd6 s THR 3189N -1.03 4.11 0.65 0.64 2.01 -1.26 -4.37 115.64 116.39 1nd6 s THR 3189Ca 0.46 1.50 -0.12 0.00 0.31 0.00 0.00 61.69 63.84 1nd6 s THR 3189Cb -0.32 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 1nd6 s THR 3189CO 0.41 0.08 1.04 -0.76 -0.69 0.00 0.00 174.62 174.71 1nd6 s LEU 3190N 1.40 3.23 1.05 4.42 1.02 -1.26 -5.03 118.68 123.50 1nd6 s LEU 3190Ca 0.58 1.56 -0.12 0.00 0.02 0.00 0.00 54.13 56.18 1nd6 s LEU 3190Cb -0.28 -4.49 0.22 0.00 0.02 0.00 0.00 46.19 41.66 1nd6 s LEU 3190CO 0.27 -1.17 1.07 -2.16 0.02 0.00 0.00 176.35 174.38 1nd6 s PRO 3191N -4.95 0.00 0.23 1.29 0.04 -1.26 -4.86 135.00 125.50 1nd6 s PRO 3191Ca 0.58 1.06 -0.06 0.00 0.04 0.00 0.00 61.00 62.61 1nd6 s PRO 3191Cb -0.13 -1.65 0.38 0.00 0.04 0.00 0.00 34.50 33.14 1nd6 s PRO 3191CO 0.52 -3.17 1.77 0.77 0.04 0.00 0.00 177.00 176.93 1nd6 h SER 3192N -2.23 0.43 0.71 6.66 0.02 -2.03 -1.70 113.55 115.42 1nd6 h SER 3192Ca -0.54 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1nd6 h SER 3192Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1nd6 h SER 3192CO 0.48 0.23 0.00 -2.67 -1.14 0.00 0.00 176.83 173.73 1nd6 n TRP 3193N -4.89 0.00 -1.58 3.45 4.27 -1.26 -4.10 117.44 113.33 1nd6 n TRP 3193Ca 0.12 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.34 1nd6 n TRP 3193Cb 0.31 -0.49 -0.02 0.00 -1.36 0.00 0.00 31.31 29.75 1nd6 n TRP 3193CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1nd6 n ALA 3194N -1.49 7.18 -1.42 -1.67 0.00 -0.64 -4.77 120.51 117.70 1nd6 n ALA 3194Ca 0.05 -3.75 -0.30 0.00 0.00 0.00 0.00 53.44 49.44 1nd6 n ALA 3194Cb 0.24 -3.17 0.22 0.00 0.00 0.00 0.00 19.45 16.74 1nd6 n ALA 3194CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1nd6 s THR 3195N 1.07 1.75 0.09 0.00 -4.23 -1.26 -4.76 115.64 108.29 1nd6 s THR 3195Ca 0.63 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.90 1nd6 s THR 3195Cb 0.18 -2.69 -0.15 0.00 1.34 0.00 0.00 72.50 71.18 1nd6 s THR 3195CO -0.07 0.00 1.73 -0.08 -0.54 0.00 0.00 174.62 175.66 1nd6 h GLU 3196N -2.23 -0.05 -0.35 3.99 4.22 -1.96 -1.38 114.58 116.82 1nd6 h GLU 3196Ca -0.44 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 58.99 1nd6 h GLU 3196Cb 1.27 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1nd6 h GLU 3196CO 0.35 -0.03 0.18 0.22 -2.18 0.00 0.00 179.01 177.54 1nd6 h ASP 3197N -0.05 0.44 -0.31 1.04 3.58 -1.97 -2.33 116.42 116.83 1nd6 h ASP 3197Ca -0.00 -0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.38 1nd6 h ASP 3197Cb 0.04 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 40.95 1nd6 h ASP 3197CO -0.00 0.43 0.10 0.74 -2.88 0.00 0.00 179.24 177.63 1nd6 h THR 3198N 0.43 0.91 -0.78 2.25 2.02 -1.82 -0.14 112.91 115.77 1nd6 h THR 3198Ca 0.12 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.23 1nd6 h THR 3198Cb 0.09 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 1nd6 h THR 3198CO -0.02 0.04 0.52 0.24 0.37 0.00 0.00 175.52 176.67 1nd6 h MET 3199N 0.23 1.01 -0.73 6.66 2.86 -1.13 0.33 114.93 124.16 1nd6 h MET 3199Ca 0.14 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1nd6 h MET 3199Cb 0.11 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 1nd6 h MET 3199CO -0.15 0.67 0.37 1.15 1.06 0.00 0.00 176.91 180.02 1nd6 h THR 3200N 1.04 1.23 -0.23 2.22 2.02 -0.96 0.85 112.91 119.09 1nd6 h THR 3200Ca 0.29 -0.62 -0.09 0.00 0.77 0.00 0.00 66.41 66.76 1nd6 h THR 3200Cb -0.10 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 1nd6 h THR 3200CO -0.07 0.27 -0.27 0.11 0.37 0.00 0.00 175.52 175.93 1nd6 h LYS 3201N 1.02 0.44 -0.06 6.66 1.57 -0.14 -2.10 116.57 123.95 1nd6 h LYS 3201Ca 0.25 -0.17 -0.15 0.00 -1.87 0.00 0.00 60.65 58.71 1nd6 h LYS 3201Cb 0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1nd6 h LYS 3201CO -0.04 0.67 -0.64 -0.07 -0.57 0.00 0.00 179.45 178.81 1nd6 h LEU 3202N 0.39 0.28 -0.53 2.94 3.38 0.35 -2.29 115.31 119.83 1nd6 h LEU 3202Ca 0.06 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.72 1nd6 h LEU 3202Cb 0.67 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1nd6 h LEU 3202CO 0.05 0.85 -0.27 -0.09 0.09 0.00 0.00 178.44 179.07 1nd6 h ARG 3203N 0.18 0.91 -0.28 1.13 2.43 -0.57 -1.96 114.38 116.22 1nd6 h ARG 3203Ca -0.01 -0.41 -0.03 0.00 -0.81 0.00 0.00 59.98 58.72 1nd6 h ARG 3203Cb 1.16 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 1nd6 h ARG 3203CO 0.10 1.06 0.07 0.93 -1.51 0.00 0.00 179.97 180.62 1nd6 h GLU 3204N 0.77 0.44 -0.56 0.20 5.08 -1.29 0.18 114.58 119.41 1nd6 h GLU 3204Ca 0.09 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1nd6 h GLU 3204Cb 0.83 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1nd6 h GLU 3204CO 0.07 0.53 0.25 -0.07 -1.00 0.00 0.00 179.01 178.79 1nd6 h LEU 3205N 0.28 0.71 -0.57 1.33 3.38 -1.38 0.32 115.31 119.37 1nd6 h LEU 3205Ca 0.09 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1nd6 h LEU 3205Cb 0.29 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1nd6 h LEU 3205CO 0.00 0.62 -0.28 0.28 0.09 0.00 0.00 178.44 179.15 1nd6 h SER 3206N 0.78 0.87 0.51 -0.43 0.02 -0.87 0.15 113.55 114.58 1nd6 h SER 3206Ca 0.19 -0.35 -0.11 0.00 -0.84 0.00 0.00 61.79 60.69 1nd6 h SER 3206Cb 0.11 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1nd6 h SER 3206CO -0.02 1.09 -0.51 -0.33 -1.14 0.00 0.00 176.83 175.92 1nd6 h GLU 3207N 0.72 0.00 -0.14 3.45 5.08 0.37 -1.94 114.58 122.12 1nd6 h GLU 3207Ca 0.09 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.23 1nd6 h GLU 3207Cb 0.82 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.08 1nd6 h GLU 3207CO 0.07 0.51 -0.76 1.25 -1.00 0.00 0.00 179.01 179.08 1nd6 h LEU 3208N 0.00 0.84 -0.24 1.33 5.85 -0.05 -1.23 115.31 121.81 1nd6 h LEU 3208Ca -0.01 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1nd6 h LEU 3208Cb 0.90 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1nd6 h LEU 3208CO 0.07 1.33 0.16 -1.28 -0.34 0.00 0.00 178.44 178.38 1nd6 h SER 3209N 0.48 0.28 0.29 1.25 0.87 -0.43 0.20 113.55 116.49 1nd6 h SER 3209Ca -0.05 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.40 1nd6 h SER 3209Cb 1.38 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 1nd6 h SER 3209CO 0.15 0.21 -0.41 0.25 -0.53 0.00 0.00 176.83 176.50 1nd6 h LEU 3210N 0.33 0.17 -0.25 2.23 5.85 -1.34 -1.37 115.31 120.92 1nd6 h LEU 3210Ca 0.09 -0.07 -0.20 0.00 0.84 0.00 0.00 57.88 58.54 1nd6 h LEU 3210Cb -0.03 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1nd6 h LEU 3210CO -0.02 0.56 -0.90 0.25 -0.34 0.00 0.00 178.44 178.00 1nd6 h LEU 3211N 0.14 0.22 -0.51 2.25 7.12 -0.84 -3.03 115.31 120.66 1nd6 h LEU 3211Ca 0.01 -0.19 -0.04 0.00 0.13 0.00 0.00 57.88 57.80 1nd6 h LEU 3211Cb 0.78 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.84 1nd6 h LEU 3211CO 0.06 1.01 -0.19 0.77 -0.13 0.00 0.00 178.44 179.95 1nd6 h SER 3212N 0.09 0.00 -0.03 1.25 4.64 -0.32 0.78 113.55 119.95 1nd6 h SER 3212Ca -0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1nd6 h SER 3212Cb 1.54 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.63 1nd6 h SER 3212CO 0.13 0.19 0.02 0.25 -0.87 0.00 0.00 176.83 176.55 1nd6 h LEU 3213N 0.00 0.04 -1.00 5.97 6.46 -1.12 -3.31 115.31 122.35 1nd6 h LEU 3213Ca -0.00 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1nd6 h LEU 3213Cb 0.96 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.88 1nd6 h LEU 3213CO 0.03 0.14 -0.22 -1.22 -0.62 0.00 0.00 178.44 176.55 1nd6 n TYR 3214N -5.01 0.00 -0.64 1.25 4.02 -1.23 -4.95 117.16 110.60 1nd6 n TYR 3214Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1nd6 n TYR 3214Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 1nd6 n TYR 3214CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1nd6 n GLY 3215N 0.99 5.17 5.00 2.72 0.00 0.27 -4.53 105.19 114.81 1nd6 n GLY 3215Ca 0.06 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1nd6 n GLY 3215CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nd6 n ILE 3216N 0.00 0.00 -4.41 -0.61 2.08 -1.25 -4.60 119.36 110.57 1nd6 n ILE 3216Ca 0.00 0.00 -0.27 0.00 0.56 0.00 0.00 62.75 63.04 1nd6 n ILE 3216Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 39.64 38.72 1nd6 n ILE 3216CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1nd6 s HIS 3217N 0.00 1.67 -1.49 1.39 2.46 -1.26 -4.81 115.29 113.24 1nd6 s HIS 3217Ca 0.00 -0.73 -0.01 0.00 0.47 0.00 0.00 55.06 54.79 1nd6 s HIS 3217Cb 0.00 -1.24 0.01 0.00 -0.13 0.00 0.00 32.58 31.22 1nd6 s HIS 3217CO 0.00 -0.40 0.24 1.63 -2.47 0.00 0.00 174.74 173.74 1nd6 n LYS 3218N 4.18 -2.14 -0.35 2.88 5.02 -1.26 -4.82 118.16 121.67 1nd6 n LYS 3218Ca -0.19 0.25 0.09 0.00 -2.02 0.00 0.00 58.31 56.44 1nd6 n LYS 3218Cb 0.51 -4.11 0.28 0.00 -0.02 0.00 0.00 35.03 31.69 1nd6 n LYS 3218CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1nd6 h GLN 3219N -1.78 0.88 0.06 1.97 4.15 -1.82 -2.37 115.11 116.20 1nd6 h GLN 3219Ca -0.64 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 58.75 1nd6 h GLN 3219Cb 1.39 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 28.84 1nd6 h GLN 3219CO 0.67 0.58 -0.25 -0.22 -1.93 0.00 0.00 178.83 177.69 1nd6 h LYS 3220N 0.91 -0.41 -0.36 1.69 1.63 -1.87 -0.27 116.57 117.90 1nd6 h LYS 3220Ca 0.51 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.33 1nd6 h LYS 3220Cb 0.62 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 1nd6 h LYS 3220CO -0.29 -0.27 0.18 1.49 -3.45 0.00 0.00 179.45 177.12 1nd6 h GLU 3221N -0.42 0.50 -0.59 1.90 4.81 -1.82 -2.76 114.58 116.20 1nd6 h GLU 3221Ca 0.05 -0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.29 1nd6 h GLU 3221Cb 0.48 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 1nd6 h GLU 3221CO -0.18 0.43 0.23 0.87 -0.73 0.00 0.00 179.01 179.63 1nd6 h LYS 3222N 0.44 0.41 -0.92 1.92 1.57 -1.20 -2.06 116.57 116.74 1nd6 h LYS 3222Ca 0.12 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1nd6 h LYS 3222Cb 0.09 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 1nd6 h LYS 3222CO -0.02 0.27 0.60 0.77 -0.57 0.00 0.00 179.45 180.51 1nd6 h SER 3223N 0.42 0.97 0.22 0.86 0.02 -0.77 0.22 113.55 115.50 1nd6 h SER 3223Ca 0.29 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.17 1nd6 h SER 3223Cb 0.33 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1nd6 h SER 3223CO -0.28 0.65 -0.28 0.03 -1.14 0.00 0.00 176.83 175.82 1nd6 h ARG 3224N 1.12 0.10 0.00 3.45 3.08 -1.16 0.71 114.38 121.68 1nd6 h ARG 3224Ca 0.38 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1nd6 h ARG 3224Cb 0.08 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1nd6 h ARG 3224CO -0.12 0.38 -0.40 1.28 -1.07 0.00 0.00 179.97 180.03 1nd6 n LEU 3225N -4.17 0.41 0.00 3.04 4.77 -0.28 -4.08 117.00 116.68 1nd6 n LEU 3225Ca -0.02 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1nd6 n LEU 3225Cb 0.35 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1nd6 n LEU 3225CO 0.39 0.09 0.00 0.00 -1.33 0.00 0.00 177.39 176.54 1nd6 n GLN 3226N -1.53 0.00 -0.31 3.23 1.13 -0.09 -4.80 117.38 115.02 1nd6 n GLN 3226Ca 0.06 0.00 0.25 0.00 -1.94 0.00 0.00 57.00 55.37 1nd6 n GLN 3226Cb 0.34 0.00 0.57 0.00 0.11 0.00 0.00 30.24 31.26 1nd6 n GLN 3226CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1nd6 h GLY 3227N 0.00 0.88 -0.24 1.08 0.00 -1.67 -1.50 103.07 101.62 1nd6 h GLY 3227Ca 0.00 -0.15 0.27 0.00 0.00 0.00 0.00 47.33 47.45 1nd6 h GLY 3227CO 0.00 -0.10 0.60 -1.33 0.00 0.00 0.00 176.54 175.72 1nd6 h GLY 3228N 0.29 1.87 0.91 4.60 0.00 0.28 0.40 103.07 111.42 1nd6 h GLY 3228Ca 0.57 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.64 1nd6 h GLY 3228CO -0.21 -0.29 0.48 -2.08 0.00 0.00 0.00 176.54 174.44 1nd6 h VAL 3229N 0.51 1.13 -0.01 4.60 2.07 -1.47 0.70 116.25 123.78 1nd6 h VAL 3229Ca 0.66 -0.33 -0.18 0.00 0.82 0.00 0.00 66.70 67.68 1nd6 h VAL 3229Cb 1.37 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1nd6 h VAL 3229CO -0.48 0.17 -0.80 0.25 0.02 0.00 0.00 177.57 176.73 1nd6 h LEU 3230N 0.95 0.19 0.07 2.57 5.85 -0.50 -2.34 115.31 122.11 1nd6 h LEU 3230Ca 0.29 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1nd6 h LEU 3230Cb -0.02 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1nd6 h LEU 3230CO -0.10 0.91 -0.04 0.58 -0.34 0.00 0.00 178.44 179.46 1nd6 h VAL 3231N 0.09 1.00 -1.00 1.05 2.07 -0.12 -1.40 116.25 117.95 1nd6 h VAL 3231Ca -0.03 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.30 1nd6 h VAL 3231Cb 1.39 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 32.26 1nd6 h VAL 3231CO 0.12 0.06 0.65 -1.13 0.02 0.00 0.00 177.57 177.29 1nd6 h ASN 3232N -0.21 1.06 -0.25 0.57 -0.73 -0.87 0.55 115.58 115.70 1nd6 h ASN 3232Ca -0.01 -0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.18 1nd6 h ASN 3232Cb 0.18 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.51 1nd6 h ASN 3232CO 0.02 0.71 0.11 -0.08 -0.37 0.00 0.00 177.43 177.82 1nd6 h GLU 3233N 1.22 0.24 -0.49 6.67 4.57 -1.11 0.68 114.58 126.36 1nd6 h GLU 3233Ca 0.41 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.46 1nd6 h GLU 3233Cb 0.07 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1nd6 h GLU 3233CO -0.14 0.16 -0.15 0.82 -1.18 0.00 0.00 179.01 178.52 1nd6 h ILE 3234N 0.25 1.27 -0.38 2.32 2.04 -0.67 -2.68 117.51 119.65 1nd6 h ILE 3234Ca 0.10 -1.30 -0.02 0.00 1.00 0.00 0.00 64.86 64.65 1nd6 h ILE 3234Cb 0.04 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1nd6 h ILE 3234CO -0.08 0.45 0.17 0.25 0.00 0.00 0.00 178.15 178.93 1nd6 h LEU 3235N 0.82 0.52 -1.40 1.44 5.85 -0.67 -1.90 115.31 119.96 1nd6 h LEU 3235Ca 0.12 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1nd6 h LEU 3235Cb 0.71 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1nd6 h LEU 3235CO 0.05 0.53 0.11 0.78 -0.34 0.00 0.00 178.44 179.57 1nd6 h ASN 3236N 0.48 0.46 -0.42 1.25 2.35 -0.82 -0.52 115.58 118.36 1nd6 h ASN 3236Ca 0.13 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 1nd6 h ASN 3236Cb 0.16 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1nd6 h ASN 3236CO -0.01 0.45 -0.07 0.45 -1.65 0.00 0.00 177.43 176.59 1nd6 h HIS 3237N 0.50 0.88 -0.25 1.19 3.86 -1.12 -0.45 115.15 119.76 1nd6 h HIS 3237Ca 0.12 -0.18 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 1nd6 h HIS 3237Cb 0.16 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 1nd6 h HIS 3237CO 0.01 0.89 0.10 0.52 0.86 0.00 0.00 177.93 180.30 1nd6 h MET 3238N 0.61 0.37 -0.18 2.45 2.86 -0.77 0.18 114.93 120.45 1nd6 h MET 3238Ca 0.11 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.71 1nd6 h MET 3238Cb 0.59 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 1nd6 h MET 3238CO 0.04 0.42 0.01 0.87 1.06 0.00 0.00 176.91 179.30 1nd6 h LYS 3239N 0.25 0.07 -0.33 1.72 1.57 -1.01 -2.04 116.57 116.79 1nd6 h LYS 3239Ca 0.08 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1nd6 h LYS 3239Cb 0.19 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1nd6 h LYS 3239CO -0.01 0.05 0.02 0.00 -0.57 0.00 0.00 179.45 178.94 1nd6 h ARG 3240N 0.07 0.51 0.00 3.15 3.08 -0.86 -0.73 114.38 119.60 1nd6 h ARG 3240Ca 0.08 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1nd6 h ARG 3240Cb 0.10 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 1nd6 h ARG 3240CO -0.13 0.52 -0.12 0.00 -1.07 0.00 0.00 179.97 179.17 1nd6 h ALA 3241N 1.54 1.36 -0.17 0.04 0.00 0.00 -0.55 119.26 121.48 1nd6 h ALA 3241Ca 0.11 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1nd6 h ALA 3241Cb 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1nd6 h ALA 3241CO 0.01 0.15 -0.53 1.15 0.00 0.00 0.00 179.25 180.02 1nd6 h THR 3242N 0.00 1.33 -0.02 0.00 2.02 -0.46 -3.22 112.91 112.56 1nd6 h THR 3242Ca -0.00 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.40 1nd6 h THR 3242Cb 0.30 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1nd6 h THR 3242CO 0.02 0.55 -0.42 0.00 0.37 0.00 0.00 175.52 176.03 1nd6 n GLN 3243N -3.96 1.24 -3.77 6.66 6.02 -0.81 -4.85 117.38 117.91 1nd6 n GLN 3243Ca -0.03 -1.00 -0.30 0.00 -0.01 0.00 0.00 57.00 55.67 1nd6 n GLN 3243Cb 0.59 -1.48 -0.15 0.00 1.02 0.00 0.00 30.24 30.22 1nd6 n GLN 3243CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1nd6 s ILE 3244N -2.45 1.00 1.26 5.09 1.01 -0.28 -5.10 121.20 121.73 1nd6 s ILE 3244Ca 0.20 -1.41 -0.20 0.00 0.00 0.00 0.00 60.65 59.25 1nd6 s ILE 3244Cb 0.18 -1.71 0.31 0.00 0.01 0.00 0.00 42.46 41.25 1nd6 s ILE 3244CO 0.55 -0.60 1.05 -2.84 0.00 0.00 0.00 174.94 173.10 1nd6 s PRO 3245N 1.56 -1.67 0.00 2.79 0.02 -1.26 -2.17 135.00 134.28 1nd6 s PRO 3245Ca 0.08 0.06 0.00 0.00 0.02 0.00 0.00 61.00 61.17 1nd6 s PRO 3245Cb -0.17 -1.53 0.00 0.00 0.02 0.00 0.00 34.50 32.81 1nd6 s PRO 3245CO -0.22 -4.03 0.00 0.43 -0.33 0.00 0.00 177.00 172.85 1nd6 n SER 3246N -5.01 0.00 -4.79 2.53 7.64 -1.26 -4.92 113.62 107.81 1nd6 n SER 3246Ca 0.12 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.68 1nd6 n SER 3246Cb 0.59 -1.82 0.04 0.00 -1.01 0.00 0.00 64.21 62.01 1nd6 n SER 3246CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1nd6 s TYR 3247N -1.35 2.80 0.06 1.43 6.14 -0.92 -4.86 117.35 120.65 1nd6 s TYR 3247Ca 0.00 1.52 -0.37 0.00 0.64 0.00 0.00 57.07 58.86 1nd6 s TYR 3247Cb 0.00 -3.06 -0.19 0.00 0.42 0.00 0.00 41.96 39.13 1nd6 s TYR 3247CO 0.00 -1.45 0.98 1.63 0.64 0.00 0.00 175.55 177.35 1nd6 n LYS 3248N -2.53 0.15 0.05 4.97 4.01 -1.25 -4.88 118.16 118.69 1nd6 n LYS 3248Ca 0.09 0.06 -0.22 0.00 -0.51 0.00 0.00 58.31 57.72 1nd6 n LYS 3248Cb 0.53 -1.46 -0.15 0.00 -0.51 0.00 0.00 35.03 33.44 1nd6 n LYS 3248CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1nd6 h LYS 3249N 2.72 0.35 -4.21 1.97 1.57 -0.82 -3.45 116.57 114.70 1nd6 h LYS 3249Ca -0.46 -0.59 -0.39 0.00 -1.87 0.00 0.00 60.65 57.34 1nd6 h LYS 3249Cb 1.42 0.22 -0.32 0.00 0.08 0.00 0.00 32.23 33.63 1nd6 h LYS 3249CO 0.65 1.28 -0.77 -1.17 -0.57 0.00 0.00 179.45 178.87 1nd6 s LEU 3250N -7.21 1.59 -0.13 2.94 2.96 -0.44 -0.72 118.68 117.66 1nd6 s LEU 3250Ca -0.19 -0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 53.59 1nd6 s LEU 3250Cb 0.06 -0.42 0.03 0.00 0.50 0.00 0.00 46.19 46.36 1nd6 s LEU 3250CO 0.82 0.00 -0.08 -0.63 -1.32 0.00 0.00 176.35 175.14 1nd6 s ILE 3251N 0.50 1.15 -0.12 6.68 1.01 -0.90 -1.53 121.20 127.98 1nd6 s ILE 3251Ca -0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 1nd6 s ILE 3251Cb -0.10 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 1nd6 s ILE 3251CO 0.00 0.33 0.03 -0.04 0.00 0.00 0.00 174.94 175.27 1nd6 s MET 3252N 1.65 3.40 -0.28 2.79 -1.94 0.25 -1.79 119.30 123.37 1nd6 s MET 3252Ca 0.04 -0.36 0.03 0.00 -1.71 0.00 0.00 55.69 53.69 1nd6 s MET 3252Cb -0.13 -2.98 0.07 0.00 2.01 0.00 0.00 34.83 33.80 1nd6 s MET 3252CO -0.09 0.55 -0.06 0.71 -0.01 0.00 0.00 175.02 176.12 1nd6 s TYR 3253N -0.43 3.40 -0.40 -0.03 1.51 0.78 0.12 117.35 122.29 1nd6 s TYR 3253Ca 0.09 -2.52 -0.21 0.00 -1.01 0.00 0.00 57.07 53.41 1nd6 s TYR 3253Cb -0.12 -2.22 0.01 0.00 -0.11 0.00 0.00 41.96 39.53 1nd6 s TYR 3253CO 0.02 -0.90 0.69 0.45 -1.11 0.00 0.00 175.55 174.70 1nd6 s SER 3254N 1.05 6.41 0.00 2.29 0.15 0.73 -1.81 113.70 122.52 1nd6 s SER 3254Ca -0.03 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1nd6 s SER 3254Cb -0.20 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1nd6 s SER 3254CO -0.06 -0.74 0.00 0.00 1.20 0.00 0.00 173.24 173.64 1nd6 n ALA 3255N 6.32 0.00 -2.62 5.45 0.00 0.17 -2.38 120.51 127.44 1nd6 n ALA 3255Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1nd6 n ALA 3255Cb 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 1nd6 n ALA 3255CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1nd6 s HIS 3256N 1.86 1.89 0.34 0.00 3.76 -1.26 -2.38 115.29 119.50 1nd6 s HIS 3256Ca 0.00 -1.08 0.19 0.00 -0.15 0.00 0.00 55.06 54.03 1nd6 s HIS 3256Cb 0.00 -1.41 0.98 0.00 1.11 0.00 0.00 32.58 33.26 1nd6 s HIS 3256CO 0.00 0.01 1.90 0.38 -0.85 0.00 0.00 174.74 176.18 1nd6 h ASP 3257N 1.62 0.00 1.19 1.40 -0.00 -1.92 -0.64 116.42 118.08 1nd6 h ASP 3257Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.63 1nd6 h ASP 3257Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.62 1nd6 h ASP 3257CO 0.67 0.27 0.00 0.71 -0.00 0.00 0.00 179.24 180.89 1nd6 h THR 3258N 0.00 0.00 0.01 1.15 1.35 -1.96 -1.85 112.91 111.62 1nd6 h THR 3258Ca -0.00 -0.53 -0.18 0.00 -0.55 0.00 0.00 66.41 65.14 1nd6 h THR 3258Cb 0.58 1.47 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 1nd6 h THR 3258CO 0.03 0.00 -0.97 0.74 -0.25 0.00 0.00 175.52 175.08 1nd6 h THR 3259N 0.00 1.14 -0.28 6.82 2.02 -1.39 -2.34 112.91 118.88 1nd6 h THR 3259Ca 0.00 -2.24 0.01 0.00 0.77 0.00 0.00 66.41 64.94 1nd6 h THR 3259Cb 0.60 2.56 -0.02 0.00 -1.74 0.00 0.00 68.15 69.55 1nd6 h THR 3259CO 0.00 0.43 0.18 0.58 0.37 0.00 0.00 175.52 177.08 1nd6 h VAL 3260N -0.93 1.06 -0.00 3.16 2.07 -1.38 0.24 116.25 120.47 1nd6 h VAL 3260Ca -0.26 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.01 1nd6 h VAL 3260Cb 1.28 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1nd6 h VAL 3260CO -0.13 0.07 -0.57 0.77 0.02 0.00 0.00 177.57 177.72 1nd6 h SER 3261N 0.37 0.02 -0.39 0.57 4.64 -1.50 -0.71 113.55 116.54 1nd6 h SER 3261Ca 0.11 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 1nd6 h SER 3261Cb -0.03 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1nd6 h SER 3261CO -0.03 0.58 -0.03 1.23 -0.87 0.00 0.00 176.83 177.71 1nd6 h GLY 3262N 1.70 0.78 0.74 -0.77 0.00 -0.83 -0.08 103.07 104.61 1nd6 h GLY 3262Ca -0.01 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1nd6 h GLY 3262CO 0.08 0.55 -0.05 -2.00 0.00 0.00 0.00 176.54 175.11 1nd6 h LEU 3263N 0.54 -0.13 -1.53 3.11 5.85 -0.32 -2.60 115.31 120.23 1nd6 h LEU 3263Ca 0.11 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1nd6 h LEU 3263Cb 0.53 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1nd6 h LEU 3263CO 0.03 0.15 -0.06 1.56 -0.34 0.00 0.00 178.44 179.78 1nd6 h GLN 3264N -0.42 0.22 -0.03 1.25 4.20 -1.11 -0.48 115.11 118.75 1nd6 h GLN 3264Ca -0.02 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 1nd6 h GLN 3264Cb 0.34 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1nd6 h GLN 3264CO 0.03 0.31 -0.59 0.52 -0.67 0.00 0.00 178.83 178.42 1nd6 h MET 3265N 0.22 0.10 0.04 1.46 2.86 -0.97 0.45 114.93 119.08 1nd6 h MET 3265Ca 0.05 -0.06 -0.28 0.00 -2.06 0.00 0.00 59.70 57.35 1nd6 h MET 3265Cb 0.26 0.01 0.02 0.00 0.06 0.00 0.00 31.60 31.95 1nd6 h MET 3265CO 0.01 0.65 -1.11 0.00 1.06 0.00 0.00 176.91 177.53 1nd6 h ALA 3266N 1.33 0.09 0.00 6.32 0.00 -0.99 -2.94 119.26 123.06 1nd6 h ALA 3266Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1nd6 h ALA 3266Cb 1.06 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1nd6 h ALA 3266CO 0.08 0.69 0.00 1.28 0.00 0.00 0.00 179.25 181.30 1nd6 n LEU 3267N -3.84 0.67 -2.25 0.00 4.77 -0.25 -4.91 117.00 111.18 1nd6 n LEU 3267Ca -0.12 0.60 -0.13 0.00 -0.03 0.00 0.00 56.01 56.33 1nd6 n LEU 3267Cb 0.92 -0.43 0.05 0.00 -2.33 0.00 0.00 43.42 41.62 1nd6 n LEU 3267CO 0.57 -0.30 0.14 -0.67 -1.33 0.00 0.00 177.39 175.79 1nd6 n ASP 3268N -2.16 -4.38 -0.32 -1.43 2.03 0.12 -4.64 116.55 105.76 1nd6 n ASP 3268Ca 0.04 -0.31 0.04 0.00 0.52 0.00 0.00 54.79 55.09 1nd6 n ASP 3268Cb 0.34 -3.06 0.06 0.00 -0.72 0.00 0.00 41.12 37.74 1nd6 n ASP 3268CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1nd6 n VAL 3269N -3.87 0.84 -2.45 5.18 0.24 0.91 -4.60 118.33 114.56 1nd6 n VAL 3269Ca -0.00 -1.02 -0.42 0.00 -2.04 0.00 0.00 64.34 60.86 1nd6 n VAL 3269Cb 0.54 0.18 -0.03 0.00 -1.47 0.00 0.00 33.84 33.06 1nd6 n VAL 3269CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1nd6 s TYR 3270N -1.27 3.40 -1.24 6.34 5.04 -1.05 -4.94 117.35 123.62 1nd6 s TYR 3270Ca 0.14 1.31 0.29 0.00 -2.44 0.00 0.00 57.07 56.38 1nd6 s TYR 3270Cb 0.13 -3.40 1.37 0.00 0.35 0.00 0.00 41.96 40.41 1nd6 s TYR 3270CO 0.01 -1.18 1.98 0.27 -1.34 0.00 0.00 175.55 175.28 1nd6 n ASN 3271N 4.22 0.00 0.00 4.32 0.23 -1.26 -4.92 115.26 117.85 1nd6 n ASN 3271Ca 0.09 0.14 0.00 0.00 -0.53 0.00 0.00 54.58 54.28 1nd6 n ASN 3271Cb 0.47 -0.38 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 1nd6 n ASN 3271CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nd6 n GLY 3272N 1.31 0.73 3.77 4.83 0.00 -1.26 -5.05 105.19 109.52 1nd6 n GLY 3272Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1nd6 n GLY 3272CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nd6 s LEU 3273N 0.00 3.87 -0.16 0.99 1.43 -1.26 -4.87 118.68 118.68 1nd6 s LEU 3273Ca 0.00 0.18 -0.37 0.00 -1.03 0.00 0.00 54.13 52.91 1nd6 s LEU 3273Cb 0.00 -2.14 -0.13 0.00 0.03 0.00 0.00 46.19 43.94 1nd6 s LEU 3273CO 0.00 0.31 1.81 0.18 0.23 0.00 0.00 176.35 178.88 1nd6 n LEU 3274N 1.48 2.99 -4.67 1.79 4.77 -1.26 -4.83 117.00 117.27 1nd6 n LEU 3274Ca -0.15 1.02 -0.42 0.00 -0.03 0.00 0.00 56.01 56.43 1nd6 n LEU 3274Cb 0.53 -1.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.32 1nd6 n LEU 3274CO 0.35 -0.22 1.54 -2.84 -1.33 0.00 0.00 177.39 174.89 1nd6 s PRO 3275N 3.74 4.14 0.77 3.23 0.02 -1.26 -4.96 135.00 140.69 1nd6 s PRO 3275Ca 0.95 2.60 -0.13 0.00 0.02 0.00 0.00 61.00 64.43 1nd6 s PRO 3275Cb -0.85 -3.92 0.06 0.00 0.02 0.00 0.00 34.50 29.81 1nd6 s PRO 3275CO 0.57 -0.91 1.16 -2.14 -0.33 0.00 0.00 177.00 175.36 1nd6 s PRO 3276N 3.73 1.98 0.46 5.54 0.02 -1.26 -4.85 135.00 140.62 1nd6 s PRO 3276Ca 0.85 1.57 -0.24 0.00 0.02 0.00 0.00 61.00 63.20 1nd6 s PRO 3276Cb -0.44 -1.83 -0.09 0.00 0.02 0.00 0.00 34.50 32.16 1nd6 s PRO 3276CO 0.39 -1.92 1.17 0.66 -0.33 0.00 0.00 177.00 176.97 1nd6 n TYR 3277N -3.15 1.72 -0.75 6.54 0.53 -1.26 -1.14 117.16 119.65 1nd6 n TYR 3277Ca 0.12 0.50 0.00 0.00 -1.02 0.00 0.00 57.90 57.50 1nd6 n TYR 3277Cb 0.51 -2.30 0.00 0.00 -1.03 0.00 0.00 39.34 36.52 1nd6 n TYR 3277CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1nd6 n ALA 3278N -0.56 0.00 -1.77 -0.72 0.00 -0.81 -4.94 120.51 111.72 1nd6 n ALA 3278Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.13 1nd6 n ALA 3278Cb 0.41 -1.13 0.01 0.00 0.00 0.00 0.00 19.45 18.74 1nd6 n ALA 3278CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nd6 s SER 3279N -2.04 5.94 -0.05 0.00 1.04 -0.29 -4.66 113.70 113.63 1nd6 s SER 3279Ca 0.00 2.89 0.02 0.00 0.48 0.00 0.00 55.95 59.35 1nd6 s SER 3279Cb 0.00 -2.65 0.01 0.00 0.10 0.00 0.00 66.02 63.48 1nd6 s SER 3279CO 0.00 -1.13 -0.12 0.00 0.98 0.00 0.00 173.24 172.97 1nd6 s HIS 3281N 0.50 3.22 -0.14 0.00 2.46 0.10 -0.54 115.29 120.89 1nd6 s HIS 3281Ca -0.10 -0.12 -0.07 0.00 0.47 0.00 0.00 55.06 55.24 1nd6 s HIS 3281Cb -0.14 -2.57 -0.04 0.00 -0.13 0.00 0.00 32.58 29.70 1nd6 s HIS 3281CO 0.03 -0.39 0.09 -0.51 -2.47 0.00 0.00 174.74 171.48 1nd6 s LEU 3282N 1.87 4.02 -0.32 8.88 1.43 0.78 -1.69 118.68 133.65 1nd6 s LEU 3282Ca 0.09 0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1nd6 s LEU 3282Cb -0.17 -1.99 0.10 0.00 0.03 0.00 0.00 46.19 44.16 1nd6 s LEU 3282CO 0.11 0.29 0.07 -0.89 0.23 0.00 0.00 176.35 176.17 1nd6 s THR 3283N -0.35 1.37 -0.12 5.49 2.01 -0.41 -0.81 115.64 122.82 1nd6 s THR 3283Ca 0.10 -1.70 -0.06 0.00 0.31 0.00 0.00 61.69 60.34 1nd6 s THR 3283Cb -0.12 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 1nd6 s THR 3283CO 0.02 -0.62 0.12 -1.61 -0.69 0.00 0.00 174.62 171.83 1nd6 s GLU 3284N 1.37 3.38 -0.24 4.92 2.02 0.12 -1.58 118.70 128.69 1nd6 s GLU 3284Ca 0.09 -0.18 -0.07 0.00 0.02 0.00 0.00 54.97 54.84 1nd6 s GLU 3284Cb -0.18 -3.13 -0.03 0.00 0.10 0.00 0.00 34.13 30.89 1nd6 s GLU 3284CO -0.19 0.76 0.07 -1.17 0.02 0.00 0.00 175.26 174.75 1nd6 s LEU 3285N -0.98 3.48 0.08 1.80 2.96 0.04 -0.37 118.68 125.68 1nd6 s LEU 3285Ca 0.15 -0.17 0.08 0.00 -0.22 0.00 0.00 54.13 53.97 1nd6 s LEU 3285Cb -0.12 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1nd6 s LEU 3285CO 0.04 -0.01 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.55 1nd6 s TYR 3286N 1.45 2.50 -0.38 5.38 1.51 0.34 -1.05 117.35 127.10 1nd6 s TYR 3286Ca 0.06 -0.29 -0.07 0.00 -1.01 0.00 0.00 57.07 55.76 1nd6 s TYR 3286Cb -0.15 -1.39 0.07 0.00 -0.11 0.00 0.00 41.96 40.38 1nd6 s TYR 3286CO 0.04 0.29 0.18 0.12 -1.11 0.00 0.00 175.55 175.07 1nd6 s PHE 3287N -1.00 3.35 0.00 2.71 5.36 -0.25 0.11 117.98 128.26 1nd6 s PHE 3287Ca 0.15 -1.68 0.00 0.00 -0.96 0.00 0.00 56.93 54.44 1nd6 s PHE 3287Cb -0.10 -2.71 0.00 0.00 -0.34 0.00 0.00 43.02 39.87 1nd6 s PHE 3287CO 0.07 -0.83 0.00 -1.91 -1.46 0.00 0.00 175.22 171.09 1nd6 n GLU 3288N 4.80 0.00 -3.91 10.12 4.07 0.75 -1.91 120.64 134.56 1nd6 n GLU 3288Ca -0.10 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.70 1nd6 n GLU 3288Cb 0.43 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.68 1nd6 n GLU 3288CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1nd6 s LYS 3289N 0.00 2.22 0.00 5.31 -2.85 -1.26 -4.28 119.74 118.88 1nd6 s LYS 3289Ca 0.00 -2.86 0.00 0.00 -1.00 0.00 0.00 55.97 52.11 1nd6 s LYS 3289Cb 0.00 -3.41 0.00 0.00 -2.06 0.00 0.00 37.83 32.36 1nd6 s LYS 3289CO 0.00 -1.17 0.00 0.41 0.10 0.00 0.00 175.35 174.69 1nd6 n GLY 3290N 2.76 2.90 3.47 0.59 0.00 -1.26 -4.99 105.19 108.67 1nd6 n GLY 3290Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 1nd6 n GLY 3290CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nd6 s GLU 3291N -0.03 1.65 -0.07 1.61 2.02 -1.26 -5.15 118.70 117.47 1nd6 s GLU 3291Ca 0.00 -1.81 0.01 0.00 0.02 0.00 0.00 54.97 53.19 1nd6 s GLU 3291Cb 0.00 -1.52 -0.03 0.00 0.10 0.00 0.00 34.13 32.68 1nd6 s GLU 3291CO 0.00 0.18 -0.08 0.71 0.02 0.00 0.00 175.26 176.09 1nd6 s TYR 3292N -2.72 2.91 0.07 1.61 1.51 -1.26 -0.18 117.35 119.29 1nd6 s TYR 3292Ca 0.30 -0.03 0.05 0.00 -1.01 0.00 0.00 57.07 56.38 1nd6 s TYR 3292Cb 0.00 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 40.11 1nd6 s TYR 3292CO 0.14 0.29 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.65 1nd6 s PHE 3293N -0.73 1.30 -0.18 2.71 0.40 0.31 -1.37 117.98 120.44 1nd6 s PHE 3293Ca 0.11 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 56.01 1nd6 s PHE 3293Cb -0.11 -0.74 -0.00 0.00 0.51 0.00 0.00 43.02 42.68 1nd6 s PHE 3293CO 0.01 0.07 -0.13 0.08 0.70 0.00 0.00 175.22 175.96 1nd6 s VAL 3294N -1.14 2.80 -0.13 -0.44 1.01 0.41 0.13 120.40 123.03 1nd6 s VAL 3294Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1nd6 s VAL 3294Cb -0.09 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 1nd6 s VAL 3294CO 0.02 0.49 -0.16 -1.61 0.00 0.00 0.00 175.10 173.85 1nd6 s GLU 3295N 1.05 3.27 0.05 2.72 2.02 0.50 -1.76 118.70 126.55 1nd6 s GLU 3295Ca -0.01 -0.75 0.05 0.00 0.02 0.00 0.00 54.97 54.28 1nd6 s GLU 3295Cb -0.15 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.50 1nd6 s GLU 3295CO -0.03 0.16 -0.06 -1.64 0.02 0.00 0.00 175.26 173.72 1nd6 s MET 3296N 0.45 2.44 0.06 1.61 -1.94 -1.26 0.13 119.30 120.79 1nd6 s MET 3296Ca -0.12 -0.83 -0.08 0.00 -1.71 0.00 0.00 55.69 52.96 1nd6 s MET 3296Cb -0.16 -2.46 -0.01 0.00 2.01 0.00 0.00 34.83 34.21 1nd6 s MET 3296CO 0.05 0.56 0.15 0.71 -0.01 0.00 0.00 175.02 176.49 1nd6 s TYR 3297N -1.13 0.17 -0.23 -0.03 1.51 0.01 -0.91 117.35 116.74 1nd6 s TYR 3297Ca 0.20 -0.53 -0.01 0.00 -1.01 0.00 0.00 57.07 55.73 1nd6 s TYR 3297Cb -0.11 -0.10 0.07 0.00 -0.11 0.00 0.00 41.96 41.71 1nd6 s TYR 3297CO 0.12 -0.46 0.01 -0.47 -1.11 0.00 0.00 175.55 173.63 1nd6 s TYR 3298N -3.26 1.78 -1.11 2.71 5.04 -0.07 -0.16 117.35 122.27 1nd6 s TYR 3298Ca 0.00 -1.42 -0.15 0.00 -2.44 0.00 0.00 57.07 53.06 1nd6 s TYR 3298Cb 0.02 -1.41 0.17 0.00 0.35 0.00 0.00 41.96 41.09 1nd6 s TYR 3298CO -0.08 -0.73 1.30 0.50 -1.34 0.00 0.00 175.55 175.21 1nd6 s ARG 3299N 1.60 3.94 -0.07 4.97 3.52 0.30 -0.98 118.95 132.24 1nd6 s ARG 3299Ca -0.01 -2.39 0.20 0.00 -0.13 0.00 0.00 55.73 53.40 1nd6 s ARG 3299Cb -0.18 -4.97 0.69 0.00 -1.56 0.00 0.00 34.95 28.94 1nd6 s ARG 3299CO -0.10 -1.72 1.59 0.27 -0.81 0.00 0.00 175.30 174.54 1nd6 n ASN 3300N 5.66 4.43 -3.64 -2.12 6.94 -1.26 -1.80 115.26 123.47 1nd6 n ASN 3300Ca 0.31 -2.28 -0.06 0.00 -0.02 0.00 0.00 54.58 52.54 1nd6 n ASN 3300Cb 0.44 -0.55 -0.07 0.00 -2.36 0.00 0.00 39.78 37.25 1nd6 n ASN 3300CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1nd6 s GLU 3301N -1.54 0.43 0.49 -3.83 -1.05 -1.26 -4.80 118.70 107.14 1nd6 s GLU 3301Ca 0.50 0.62 0.28 0.00 -0.15 0.00 0.00 54.97 56.23 1nd6 s GLU 3301Cb 0.30 0.15 1.05 0.00 -0.44 0.00 0.00 34.13 35.20 1nd6 s GLU 3301CO 0.28 -0.07 1.87 1.79 0.95 0.00 0.00 175.26 180.08 1nd6 h THR 3302N 4.28 0.24 0.00 1.83 1.35 -1.98 -3.18 112.91 115.45 1nd6 h THR 3302Ca -0.28 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 1nd6 h THR 3302Cb 1.19 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1nd6 h THR 3302CO 0.15 0.10 0.00 0.00 -0.25 0.00 0.00 175.52 175.52 1nd6 n GLN 3303N -3.21 0.01 -4.22 4.72 6.02 -1.26 -4.85 117.38 114.59 1nd6 n GLN 3303Ca 0.01 0.08 -0.13 0.00 -0.01 0.00 0.00 57.00 56.95 1nd6 n GLN 3303Cb 0.39 -1.51 -0.10 0.00 1.02 0.00 0.00 30.24 30.04 1nd6 n GLN 3303CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1nd6 s HIS 3304N -3.01 1.13 0.82 1.08 3.76 -1.20 -5.15 115.29 112.71 1nd6 s HIS 3304Ca 0.12 -1.09 -0.11 0.00 -0.15 0.00 0.00 55.06 53.83 1nd6 s HIS 3304Cb 0.16 -0.64 0.08 0.00 1.11 0.00 0.00 32.58 33.29 1nd6 s HIS 3304CO 0.45 -0.30 1.10 -1.21 -0.85 0.00 0.00 174.74 173.93 1nd6 s GLU 3305N -3.96 1.91 0.32 1.40 2.02 -1.26 -4.78 118.70 114.35 1nd6 s GLU 3305Ca 0.25 0.66 -0.29 0.00 0.02 0.00 0.00 54.97 55.60 1nd6 s GLU 3305Cb 0.07 -1.90 -0.11 0.00 0.10 0.00 0.00 34.13 32.28 1nd6 s GLU 3305CO 0.04 -1.75 1.56 -2.30 0.02 0.00 0.00 175.26 172.83 1nd6 n PRO 3306N -3.52 2.68 -2.54 0.39 -0.02 -1.26 -4.90 135.00 125.82 1nd6 n PRO 3306Ca 0.07 0.95 -0.42 0.00 -2.02 0.00 0.00 63.50 62.07 1nd6 n PRO 3306Cb 0.56 -2.71 -0.03 0.00 -0.02 0.00 0.00 33.50 31.31 1nd6 n PRO 3306CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1nd6 s TYR 3307N -0.35 3.28 0.07 6.00 6.04 -0.15 -4.69 117.35 127.54 1nd6 s TYR 3307Ca 0.61 1.34 -0.31 0.00 0.04 0.00 0.00 57.07 58.75 1nd6 s TYR 3307Cb -0.49 -3.34 -0.08 0.00 -1.04 0.00 0.00 41.96 37.00 1nd6 s TYR 3307CO 0.53 -0.94 1.67 -2.14 -1.54 0.00 0.00 175.55 173.13 1nd6 s PRO 3308N 2.31 4.19 -0.14 4.97 0.02 -1.26 -0.89 135.00 144.20 1nd6 s PRO 3308Ca 0.53 2.36 -0.12 0.00 0.02 0.00 0.00 61.00 63.78 1nd6 s PRO 3308Cb -0.22 -3.62 -0.05 0.00 0.02 0.00 0.00 34.50 30.64 1nd6 s PRO 3308CO 0.19 -0.75 0.25 -0.51 -0.33 0.00 0.00 177.00 175.85 1nd6 s LEU 3309N 2.72 4.29 -0.18 -5.54 1.43 -0.08 -4.94 118.68 116.38 1nd6 s LEU 3309Ca 0.75 0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 54.35 1nd6 s LEU 3309Cb -0.40 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.52 1nd6 s LEU 3309CO 0.33 0.19 -0.14 -0.32 0.23 0.00 0.00 176.35 176.63 1nd6 s MET 3310N 0.05 3.19 -0.15 1.70 1.75 -1.26 -4.10 119.30 120.48 1nd6 s MET 3310Ca 0.16 -0.74 -0.29 0.00 -1.25 0.00 0.00 55.69 53.56 1nd6 s MET 3310Cb -0.13 -2.70 -0.04 0.00 2.84 0.00 0.00 34.83 34.80 1nd6 s MET 3310CO 0.04 -0.09 1.77 -1.17 -0.65 0.00 0.00 175.02 174.92 1nd6 s LEU 3311N 1.08 3.98 -0.23 4.11 2.96 -1.26 -4.86 118.68 124.46 1nd6 s LEU 3311Ca -0.00 1.92 -0.35 0.00 -0.22 0.00 0.00 54.13 55.48 1nd6 s LEU 3311Cb -0.14 -3.53 -0.12 0.00 0.50 0.00 0.00 46.19 42.90 1nd6 s LEU 3311CO -0.04 -1.28 2.01 -0.81 -1.32 0.00 0.00 176.35 174.90 1nd6 n PRO 3312N 7.73 1.60 0.00 0.98 -0.04 -1.26 -0.06 135.00 143.95 1nd6 n PRO 3312Ca 0.20 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 1nd6 n PRO 3312Cb 0.44 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 1nd6 n PRO 3312CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nd6 n GLY 3313N 5.28 1.16 3.44 0.55 0.00 -1.26 -5.10 105.19 109.27 1nd6 n GLY 3313Ca 0.31 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.09 1nd6 n GLY 3313CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nd6 s SER 3315N -3.54 5.98 0.64 0.00 1.04 -1.26 -4.61 113.70 111.94 1nd6 s SER 3315Ca 0.28 -0.16 0.27 0.00 0.48 0.00 0.00 55.95 56.82 1nd6 s SER 3315Cb 0.02 -1.26 1.45 0.00 0.10 0.00 0.00 66.02 66.33 1nd6 s SER 3315CO 0.20 -0.43 1.81 -0.65 0.98 0.00 0.00 173.24 175.15 1nd6 h PRO 3316N 0.88 0.00 -2.70 4.02 0.11 -1.92 -2.57 132.00 129.82 1nd6 h PRO 3316Ca -0.46 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.05 1nd6 h PRO 3316Cb 1.26 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.96 1nd6 h PRO 3316CO 0.53 0.00 -0.72 0.45 -0.21 0.00 0.00 178.00 178.05 1nd6 n SER 3317N -2.80 1.96 -4.68 -2.05 2.88 -1.26 -4.37 113.62 103.30 1nd6 n SER 3317Ca -0.02 -2.98 -0.42 0.00 -1.33 0.00 0.00 58.87 54.12 1nd6 n SER 3317Cb 0.42 -0.68 -0.03 0.00 -0.75 0.00 0.00 64.21 63.17 1nd6 n SER 3317CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nd6 s PRO 3319N 2.39 4.13 0.28 0.00 0.04 -1.26 0.16 135.00 140.73 1nd6 s PRO 3319Ca 0.54 2.58 -0.01 0.00 0.04 0.00 0.00 61.00 64.15 1nd6 s PRO 3319Cb -0.23 -3.05 0.63 0.00 0.04 0.00 0.00 34.50 31.89 1nd6 s PRO 3319CO 0.20 -0.68 1.63 1.25 0.04 0.00 0.00 177.00 179.44 1nd6 h LEU 3320N 5.82 -0.17 -1.20 -3.56 5.85 -1.54 0.16 115.31 120.67 1nd6 h LEU 3320Ca -0.45 0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1nd6 h LEU 3320Cb 1.21 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 42.54 1nd6 h LEU 3320CO 0.87 -0.19 0.17 -0.33 -0.34 0.00 0.00 178.44 178.63 1nd6 h GLU 3321N 0.15 0.73 -0.03 1.25 4.39 -1.89 0.76 114.58 119.93 1nd6 h GLU 3321Ca 0.51 -0.12 -0.21 0.00 0.34 0.00 0.00 59.36 59.89 1nd6 h GLU 3321Cb 1.01 -0.13 0.02 0.00 -0.10 0.00 0.00 28.75 29.54 1nd6 h GLU 3321CO -0.69 0.62 -0.78 -0.09 -1.16 0.00 0.00 179.01 176.91 1nd6 h ARG 3322N 0.72 0.58 -0.02 2.33 9.65 -1.16 -2.73 114.38 123.75 1nd6 h ARG 3322Ca 0.17 -0.59 0.03 0.00 -1.10 0.00 0.00 59.98 58.49 1nd6 h ARG 3322Cb 0.19 0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 28.88 1nd6 h ARG 3322CO -0.01 1.20 -0.22 0.35 2.80 0.00 0.00 179.97 184.10 1nd6 h PHE 3323N 0.19 -0.57 -0.87 2.20 3.57 -0.53 0.26 116.94 121.19 1nd6 h PHE 3323Ca -0.09 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.56 1nd6 h PHE 3323Cb 1.46 0.26 -0.07 0.00 2.79 0.00 0.00 35.95 40.39 1nd6 h PHE 3323CO 0.12 -0.30 0.56 0.00 -2.23 0.00 0.00 178.31 176.46 1nd6 h ALA 3324N 0.57 1.80 -0.04 2.41 0.00 -0.90 -2.07 119.26 121.03 1nd6 h ALA 3324Ca 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1nd6 h ALA 3324Cb 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1nd6 h ALA 3324CO -0.21 -0.02 -0.09 0.93 0.00 0.00 0.00 179.25 179.85 1nd6 h GLU 3325N 0.72 0.13 0.00 0.00 5.08 -1.01 -1.76 114.58 117.74 1nd6 h GLU 3325Ca 0.43 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1nd6 h GLU 3325Cb 0.64 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1nd6 h GLU 3325CO -0.19 0.69 0.00 -0.07 -1.00 0.00 0.00 179.01 178.44 1nd6 h LEU 3326N -0.41 0.00 0.00 1.33 3.38 -0.64 -2.93 115.31 116.04 1nd6 h LEU 3326Ca -0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 1nd6 h LEU 3326Cb 0.69 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 1nd6 h LEU 3326CO 0.02 0.00 -2.32 0.52 0.09 0.00 0.00 178.44 176.75 1nd6 n VAL 3327N -2.76 1.40 -0.23 1.22 0.31 -0.81 -4.62 118.33 112.85 1nd6 n VAL 3327Ca -0.01 -0.85 0.14 0.00 -0.01 0.00 0.00 64.34 63.61 1nd6 n VAL 3327Cb 0.15 -0.51 0.26 0.00 -0.91 0.00 0.00 33.84 32.83 1nd6 n VAL 3327CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nd6 n GLY 3328N 1.73 -0.78 0.26 2.92 0.00 -0.66 -0.51 105.19 108.14 1nd6 n GLY 3328Ca -0.31 0.62 0.17 0.00 0.00 0.00 0.00 46.02 46.50 1nd6 n GLY 3328CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nd6 h PRO 3329N 0.00 0.00 -0.01 1.61 0.13 -1.82 -2.60 132.00 129.32 1nd6 h PRO 3329Ca 0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.59 1nd6 h PRO 3329Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1nd6 h PRO 3329CO -0.59 0.00 -0.78 1.33 -0.23 0.00 0.00 178.00 177.73 1nd6 n VAL 3330N -2.75 0.00 -3.02 1.56 0.24 0.34 -4.84 118.33 109.85 1nd6 n VAL 3330Ca -0.01 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.34 61.78 1nd6 n VAL 3330Cb 0.12 1.05 -0.06 0.00 -1.47 0.00 0.00 33.84 33.48 1nd6 n VAL 3330CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1nd6 s ILE 3331N -2.81 4.84 0.38 1.34 1.01 -0.98 -3.36 121.20 121.62 1nd6 s ILE 3331Ca 0.12 0.96 -0.26 0.00 0.00 0.00 0.00 60.65 61.47 1nd6 s ILE 3331Cb 0.17 -4.10 -0.09 0.00 0.01 0.00 0.00 42.46 38.45 1nd6 s ILE 3331CO 0.75 -0.26 1.20 -2.16 0.00 0.00 0.00 174.94 174.48 1nd6 s PRO 3332N 2.85 4.14 -0.14 2.79 0.04 -1.26 -4.98 135.00 138.45 1nd6 s PRO 3332Ca 0.29 1.94 -0.19 0.00 0.04 0.00 0.00 61.00 63.08 1nd6 s PRO 3332Cb -0.14 -2.80 -0.17 0.00 0.04 0.00 0.00 34.50 31.43 1nd6 s PRO 3332CO 0.13 -0.27 0.41 1.96 0.04 0.00 0.00 177.00 179.27 1nd6 h GLN 3333N 2.87 0.00 -2.77 4.56 1.08 -1.96 -3.42 115.11 115.48 1nd6 h GLN 3333Ca -0.49 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.11 1nd6 h GLN 3333Cb 1.23 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 28.27 1nd6 h GLN 3333CO 0.63 0.67 -0.79 0.34 -0.95 0.00 0.00 178.83 178.74 1nd6 s ASP 3334N -6.13 3.12 0.16 1.46 3.68 -1.26 -5.01 116.67 112.69 1nd6 s ASP 3334Ca -0.16 -2.94 -0.26 0.00 2.13 0.00 0.00 52.55 51.31 1nd6 s ASP 3334Cb -0.00 -0.89 0.01 0.00 -1.45 0.00 0.00 42.92 40.59 1nd6 s ASP 3334CO 0.47 -0.21 1.57 -0.25 0.13 0.00 0.00 175.17 176.88 1nd6 h TRP 3335N 6.17 -1.26 -0.74 -5.34 7.01 -1.94 0.44 115.95 120.29 1nd6 h TRP 3335Ca 0.11 0.07 0.10 0.00 2.11 0.00 0.00 58.89 61.29 1nd6 h TRP 3335Cb 0.89 0.62 -0.08 0.00 -2.10 0.00 0.00 29.16 28.50 1nd6 h TRP 3335CO 0.45 -0.43 0.37 1.03 -2.79 0.00 0.00 178.44 177.07 1nd6 h SER 3336N -0.29 0.47 -0.23 2.65 0.87 -1.98 0.95 113.55 116.00 1nd6 h SER 3336Ca 0.15 0.07 -0.17 0.00 -1.23 0.00 0.00 61.79 60.61 1nd6 h SER 3336Cb 0.57 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1nd6 h SER 3336CO -0.62 0.26 -0.53 0.74 -0.53 0.00 0.00 176.83 176.14 1nd6 h THR 3337N 0.61 1.30 0.00 2.23 2.02 -1.69 -2.90 112.91 114.48 1nd6 h THR 3337Ca 0.37 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.81 1nd6 h THR 3337Cb 0.42 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1nd6 h THR 3337CO -0.29 0.55 0.00 -0.33 0.37 0.00 0.00 175.52 175.83 1nd6 h GLU 3338N 0.50 0.00 -0.00 6.66 5.08 0.50 -1.72 114.58 125.60 1nd6 h GLU 3338Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nd6 h GLU 3338Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1nd6 h GLU 3338CO 0.12 0.00 -0.24 0.00 -1.00 0.00 0.00 179.01 177.89 1nd6 s MET 3340N -2.93 4.16 0.00 0.00 -1.94 -0.65 -1.18 119.30 116.76 1nd6 s MET 3340Ca 0.15 2.51 0.00 0.00 -1.71 0.00 0.00 55.69 56.63 1nd6 s MET 3340Cb 0.18 -3.56 0.00 0.00 2.01 0.00 0.00 34.83 33.46 1nd6 s MET 3340CO 0.60 -0.80 0.18 -2.37 -0.01 0.00 0.00 175.02 172.62