#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f5t h ASP 3003N 0.00 0.79 0.04 4.39 -0.00 -2.04 -2.77 116.42 116.82 1f5t h ASP 3003Ca 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 57.03 56.58 1f5t h ASP 3003Cb 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 39.33 39.10 1f5t h ASP 3003CO 0.00 1.22 -0.21 0.18 -0.00 0.00 0.00 179.24 180.43 1f5t n LEU 3004N -3.95 1.95 0.00 2.28 4.77 -1.26 -4.96 117.00 115.82 1f5t n LEU 3004Ca -0.05 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1f5t n LEU 3004Cb 0.66 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1f5t n LEU 3004CO 0.50 0.34 0.00 0.52 -1.33 0.00 0.00 177.39 177.42 1f5t n VAL 3005N 0.23 0.00 -3.82 4.08 0.31 -1.05 -4.42 118.33 113.67 1f5t n VAL 3005Ca 0.13 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.17 1f5t n VAL 3005Cb 0.45 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.22 1f5t n VAL 3005CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1f5t s ASP 3006N 0.00 3.43 0.21 4.52 3.68 -1.26 -4.43 116.67 122.81 1f5t s ASP 3006Ca 0.00 -1.07 -0.09 0.00 2.13 0.00 0.00 52.55 53.52 1f5t s ASP 3006Cb 0.00 -0.86 0.15 0.00 -1.45 0.00 0.00 42.92 40.76 1f5t s ASP 3006CO 0.00 -0.29 1.80 0.74 0.13 0.00 0.00 175.17 177.55 1f5t h THR 3007N 6.57 1.25 -0.16 1.71 2.02 -2.01 -2.70 112.91 119.59 1f5t h THR 3007Ca -0.16 -0.70 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 1f5t h THR 3007Cb 1.09 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1f5t h THR 3007CO 0.38 0.30 -0.05 0.74 0.37 0.00 0.00 175.52 177.27 1f5t h THR 3008N 1.10 1.29 -0.86 3.16 2.02 -1.95 -2.61 112.91 115.06 1f5t h THR 3008Ca 0.27 -1.02 0.05 0.00 0.77 0.00 0.00 66.41 66.48 1f5t h THR 3008Cb 0.13 1.65 -0.05 0.00 -1.74 0.00 0.00 68.15 68.13 1f5t h THR 3008CO -0.03 0.30 0.56 -0.33 0.37 0.00 0.00 175.52 176.39 1f5t h GLU 3009N 0.00 0.98 0.00 6.66 5.08 -1.95 -2.01 114.58 123.35 1f5t h GLU 3009Ca 0.04 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1f5t h GLU 3009Cb 0.48 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1f5t h GLU 3009CO 0.02 0.65 -0.34 0.52 -1.00 0.00 0.00 179.01 178.85 1f5t h MET 3010N 1.00 0.00 -0.09 2.33 2.86 -1.41 -2.11 114.93 117.51 1f5t h MET 3010Ca 0.36 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.89 1f5t h MET 3010Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1f5t h MET 3010CO -0.12 0.34 -0.38 1.88 1.06 0.00 0.00 176.91 179.69 1f5t h TYR 3011N 0.00 0.55 0.32 -0.22 0.99 -0.98 -1.75 116.97 115.88 1f5t h TYR 3011Ca -0.00 -0.24 -0.00 0.00 2.00 0.00 0.00 58.73 60.49 1f5t h TYR 3011Cb 0.93 -0.09 -0.02 0.00 1.00 0.00 0.00 36.73 38.55 1f5t h TYR 3011CO 0.00 0.98 -0.29 -0.07 -0.00 0.00 0.00 178.16 178.78 1f5t h LEU 3012N -0.03 -0.78 -0.71 3.88 3.38 -1.36 -0.31 115.31 119.37 1f5t h LEU 3012Ca -0.02 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.13 1f5t h LEU 3012Cb 1.02 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.95 1f5t h LEU 3012CO 0.08 -0.43 0.31 -0.09 0.09 0.00 0.00 178.44 178.40 1f5t h ARG 3013N -0.64 0.49 -0.37 1.13 2.43 -1.43 0.49 114.38 116.49 1f5t h ARG 3013Ca -0.02 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1f5t h ARG 3013Cb 0.57 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1f5t h ARG 3013CO -0.04 0.32 0.21 1.15 -1.51 0.00 0.00 179.97 180.10 1f5t h THR 3014N 0.51 1.13 -0.14 0.20 2.02 -0.88 0.47 112.91 116.22 1f5t h THR 3014Ca 0.37 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 67.23 1f5t h THR 3014Cb 0.48 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1f5t h THR 3014CO -0.33 0.14 0.02 0.40 0.37 0.00 0.00 175.52 176.12 1f5t h ILE 3015N 0.47 0.94 0.27 3.11 2.04 0.43 0.34 117.51 125.11 1f5t h ILE 3015Ca 0.13 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1f5t h ILE 3015Cb 0.03 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1f5t h ILE 3015CO -0.02 0.01 -0.25 0.22 0.00 0.00 0.00 178.15 178.11 1f5t h TYR 3016N 0.08 -0.66 -0.85 1.37 5.03 0.43 -1.45 116.97 120.93 1f5t h TYR 3016Ca 0.06 0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.43 1f5t h TYR 3016Cb 0.06 0.25 -0.05 0.00 1.55 0.00 0.00 36.73 38.54 1f5t h TYR 3016CO -0.13 -0.37 0.56 0.93 -1.32 0.00 0.00 178.16 177.83 1f5t h GLU 3017N -0.54 0.96 -0.63 1.82 5.08 0.05 -1.26 114.58 120.04 1f5t h GLU 3017Ca -0.01 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1f5t h GLU 3017Cb 0.49 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 1f5t h GLU 3017CO -0.04 0.63 0.36 1.25 -1.00 0.00 0.00 179.01 180.22 1f5t h LEU 3018N 0.99 0.56 -0.97 1.33 5.85 -0.43 -2.03 115.31 120.61 1f5t h LEU 3018Ca 0.35 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 59.04 1f5t h LEU 3018Cb 0.15 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1f5t h LEU 3018CO -0.12 0.38 0.12 -0.33 -0.34 0.00 0.00 178.44 178.14 1f5t h GLU 3019N 0.69 0.86 -0.46 1.25 5.08 -0.18 -2.18 114.58 119.64 1f5t h GLU 3019Ca 0.27 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1f5t h GLU 3019Cb 0.12 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1f5t h GLU 3019CO -0.15 0.79 0.20 0.93 -1.00 0.00 0.00 179.01 179.78 1f5t h GLU 3020N 0.82 0.65 -0.00 2.33 5.08 -0.82 -1.28 114.58 121.37 1f5t h GLU 3020Ca 0.18 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1f5t h GLU 3020Cb 0.33 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1f5t h GLU 3020CO 0.00 0.53 -0.04 0.39 -1.00 0.00 0.00 179.01 178.89 1f5t n GLU 3021N -4.37 0.52 -1.01 2.33 1.02 -0.96 -4.91 120.64 113.25 1f5t n GLU 3021Ca 0.04 -0.07 -0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1f5t n GLU 3021Cb 0.14 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1f5t n GLU 3021CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1f5t n GLY 3022N 1.28 0.47 3.76 0.62 0.00 -0.48 -5.03 105.19 105.80 1f5t n GLY 3022Ca 0.15 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 1f5t n GLY 3022CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f5t s VAL 3023N -1.99 5.12 0.11 1.61 1.01 -0.86 -5.02 120.40 120.37 1f5t s VAL 3023Ca 0.00 0.91 -0.32 0.00 0.00 0.00 0.00 61.98 62.57 1f5t s VAL 3023Cb 0.00 -3.78 -0.12 0.00 0.00 0.00 0.00 36.38 32.48 1f5t s VAL 3023CO 0.00 0.42 1.77 0.41 0.00 0.00 0.00 175.10 177.70 1f5t n THR 3024N 3.02 0.27 -2.32 3.92 -1.04 -1.26 -4.23 114.28 112.64 1f5t n THR 3024Ca -0.10 -0.05 -0.37 0.00 -2.04 0.00 0.00 64.05 61.49 1f5t n THR 3024Cb 0.52 -1.93 -0.03 0.00 -1.82 0.00 0.00 70.33 67.07 1f5t n THR 3024CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1f5t s PRO 3025N 2.34 3.01 0.07 -2.82 0.04 -1.26 -4.94 135.00 131.45 1f5t s PRO 3025Ca 0.82 -0.25 0.03 0.00 0.04 0.00 0.00 61.00 61.64 1f5t s PRO 3025Cb -0.57 -4.70 -0.04 0.00 0.04 0.00 0.00 34.50 29.23 1f5t s PRO 3025CO 0.39 -2.57 0.05 -0.51 0.04 0.00 0.00 177.00 174.40 1f5t s LEU 3026N 7.29 3.68 0.27 -3.56 1.43 -1.26 -0.10 118.68 126.43 1f5t s LEU 3026Ca 0.53 -0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.57 1f5t s LEU 3026Cb -0.07 -2.35 0.52 0.00 0.03 0.00 0.00 46.19 44.32 1f5t s LEU 3026CO 0.07 0.18 1.81 0.03 0.23 0.00 0.00 176.35 178.67 1f5t h ARG 3027N 3.44 0.83 -0.89 1.70 3.08 -1.93 0.17 114.38 120.78 1f5t h ARG 3027Ca -0.47 -0.05 0.17 0.00 0.07 0.00 0.00 59.98 59.70 1f5t h ARG 3027Cb 1.16 -0.19 -0.07 0.00 0.08 0.00 0.00 29.97 30.96 1f5t h ARG 3027CO 0.63 0.55 0.58 0.00 -1.07 0.00 0.00 179.97 180.66 1f5t h ALA 3028N 1.53 1.97 -0.66 0.04 0.00 -1.96 -0.67 119.26 119.50 1f5t h ALA 3028Ca 0.47 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 1f5t h ALA 3028Cb 0.52 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1f5t h ALA 3028CO -0.29 -0.24 0.25 0.00 0.00 0.00 0.00 179.25 178.98 1f5t h ARG 3029N 0.57 1.00 -0.43 0.00 2.47 -1.02 -1.79 114.38 115.19 1f5t h ARG 3029Ca 0.46 -0.19 -0.02 0.00 -1.26 0.00 0.00 59.98 58.97 1f5t h ARG 3029Cb 0.90 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 29.04 1f5t h ARG 3029CO -0.20 0.84 0.20 0.82 0.56 0.00 0.00 179.97 182.19 1f5t h ILE 3030N 0.94 1.18 -0.04 2.04 2.04 -1.05 -1.49 117.51 121.13 1f5t h ILE 3030Ca 0.22 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.61 1f5t h ILE 3030Cb 0.23 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 1f5t h ILE 3030CO -0.02 0.20 -0.34 0.00 0.00 0.00 0.00 178.15 177.99 1f5t h ALA 3031N 1.05 -0.47 0.12 1.87 0.00 -1.03 0.38 119.26 121.18 1f5t h ALA 3031Ca 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1f5t h ALA 3031Cb 0.12 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1f5t h ALA 3031CO -0.02 -0.84 -0.53 0.93 0.00 0.00 0.00 179.25 178.79 1f5t h GLU 3032N -0.47 -0.72 -0.01 0.00 5.08 -1.11 0.15 114.58 117.50 1f5t h GLU 3032Ca 0.07 0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1f5t h GLU 3032Cb 0.57 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1f5t h GLU 3032CO -0.30 -0.48 0.01 0.00 -1.00 0.00 0.00 179.01 177.23 1f5t h ARG 3033N -0.75 0.02 -0.17 2.33 3.08 -0.86 -2.80 114.38 115.23 1f5t h ARG 3033Ca -0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1f5t h ARG 3033Cb 0.75 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1f5t h ARG 3033CO -0.29 0.07 0.00 1.28 -1.07 0.00 0.00 179.97 179.96 1f5t n LEU 3034N -5.05 1.47 -3.62 3.04 4.77 0.13 -4.95 117.00 112.78 1f5t n LEU 3034Ca -0.07 -0.63 -0.23 0.00 -0.03 0.00 0.00 56.01 55.05 1f5t n LEU 3034Cb 0.05 -0.11 0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1f5t n LEU 3034CO 0.33 0.32 -0.05 -0.62 -1.33 0.00 0.00 177.39 176.04 1f5t n GLU 3035N 0.20 -1.27 -4.23 3.23 1.02 0.50 -5.01 120.64 115.09 1f5t n GLU 3035Ca 0.15 0.76 -0.13 0.00 -0.02 0.00 0.00 57.16 57.92 1f5t n GLU 3035Cb 0.29 -3.65 -0.10 0.00 -0.02 0.00 0.00 31.44 27.96 1f5t n GLU 3035CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1f5t s GLN 3036N -5.07 1.02 0.49 3.49 -0.21 -0.99 -5.05 119.66 113.34 1f5t s GLN 3036Ca 0.20 -1.43 -0.23 0.00 0.02 0.00 0.00 55.36 53.92 1f5t s GLN 3036Cb -0.08 -0.54 -0.06 0.00 1.00 0.00 0.00 33.01 33.33 1f5t s GLN 3036CO 0.86 0.06 1.31 0.45 -2.12 0.00 0.00 175.29 175.84 1f5t s SER 3037N -3.14 5.72 0.20 5.90 0.15 -1.26 -4.69 113.70 116.58 1f5t s SER 3037Ca 0.16 2.65 -0.15 0.00 0.70 0.00 0.00 55.95 59.31 1f5t s SER 3037Cb 0.03 -2.63 0.20 0.00 -1.71 0.00 0.00 66.02 61.92 1f5t s SER 3037CO -0.01 -1.26 1.63 1.23 1.20 0.00 0.00 173.24 176.04 1f5t h GLY 3038N 1.88 0.39 2.00 9.45 0.00 -1.98 0.43 103.07 115.23 1f5t h GLY 3038Ca -0.50 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1f5t h GLY 3038CO 0.59 -0.23 -0.08 -2.55 0.00 0.00 0.00 176.54 174.28 1f5t h PRO 3039N -0.02 0.00 0.02 4.80 0.11 -2.00 -2.72 132.00 132.19 1f5t h PRO 3039Ca 0.28 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.12 1f5t h PRO 3039Cb 0.44 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.57 1f5t h PRO 3039CO -0.61 0.08 -1.06 1.15 -0.21 0.00 0.00 178.00 177.35 1f5t h THR 3040N 0.00 1.29 -0.53 -1.15 2.02 -1.30 -2.85 112.91 110.39 1f5t h THR 3040Ca -0.00 -2.30 -0.09 0.00 0.77 0.00 0.00 66.41 64.79 1f5t h THR 3040Cb 0.42 2.43 -0.02 0.00 -1.74 0.00 0.00 68.15 69.24 1f5t h THR 3040CO 0.01 0.71 -0.01 0.58 0.37 0.00 0.00 175.52 177.18 1f5t h VAL 3041N 0.36 1.26 -0.54 3.16 2.07 -1.17 -1.99 116.25 119.41 1f5t h VAL 3041Ca -0.13 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 1f5t h VAL 3041Cb 1.72 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 1f5t h VAL 3041CO 0.21 0.40 0.29 0.28 0.02 0.00 0.00 177.57 178.76 1f5t h SER 3042N 0.82 0.68 0.37 0.57 0.02 -1.54 -0.61 113.55 113.88 1f5t h SER 3042Ca 0.15 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1f5t h SER 3042Cb 0.55 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1f5t h SER 3042CO 0.03 0.59 -0.24 1.56 -1.14 0.00 0.00 176.83 177.63 1f5t h GLN 3043N 0.73 -0.56 -0.71 3.45 4.20 -1.39 -1.13 115.11 119.70 1f5t h GLN 3043Ca 0.19 0.04 0.15 0.00 0.06 0.00 0.00 58.65 59.09 1f5t h GLN 3043Cb 0.07 0.13 -0.13 0.00 0.30 0.00 0.00 27.48 27.85 1f5t h GLN 3043CO -0.03 -0.37 -0.04 1.15 -0.67 0.00 0.00 178.83 178.87 1f5t h THR 3044N -0.58 0.37 -0.22 -0.54 2.02 -1.32 0.26 112.91 112.89 1f5t h THR 3044Ca -0.05 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1f5t h THR 3044Cb 0.47 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1f5t h THR 3044CO 0.04 0.01 0.14 0.58 0.37 0.00 0.00 175.52 176.67 1f5t h VAL 3045N 0.08 1.07 -0.43 3.16 2.07 -1.05 0.13 116.25 121.28 1f5t h VAL 3045Ca 0.37 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.81 1f5t h VAL 3045Cb 0.62 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 1f5t h VAL 3045CO -0.65 0.07 0.02 0.00 0.02 0.00 0.00 177.57 177.04 1f5t h ALA 3046N 1.06 0.41 -0.94 1.67 0.00 0.41 1.24 119.26 123.10 1f5t h ALA 3046Ca 0.08 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1f5t h ALA 3046Cb -0.01 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1f5t h ALA 3046CO -0.02 -0.37 0.61 -0.09 0.00 0.00 0.00 179.25 179.38 1f5t h ARG 3047N 0.13 1.11 -0.53 0.00 2.43 -0.16 0.30 114.38 117.65 1f5t h ARG 3047Ca 0.21 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1f5t h ARG 3047Cb 0.30 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1f5t h ARG 3047CO -0.33 0.73 0.03 0.52 -1.51 0.00 0.00 179.97 179.41 1f5t h MET 3048N 1.14 0.91 -0.59 0.20 2.86 0.24 -2.36 114.93 117.32 1f5t h MET 3048Ca 0.39 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1f5t h MET 3048Cb 0.09 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1f5t h MET 3048CO -0.15 0.92 0.22 1.49 1.06 0.00 0.00 176.91 180.45 1f5t h GLU 3049N 0.79 0.87 -0.99 1.72 4.81 0.24 -2.06 114.58 119.96 1f5t h GLU 3049Ca 0.15 -0.14 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1f5t h GLU 3049Cb 0.48 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.65 1f5t h GLU 3049CO 0.02 0.73 0.65 -0.09 -0.73 0.00 0.00 179.01 179.59 1f5t h ARG 3050N 0.86 1.19 -0.64 1.92 2.43 0.05 0.03 114.38 120.22 1f5t h ARG 3050Ca 0.20 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1f5t h ARG 3050Cb 0.19 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1f5t h ARG 3050CO -0.02 0.79 0.00 -0.25 -1.51 0.00 0.00 179.97 178.98 1f5t n ASP 3051N -4.46 3.82 -3.57 -3.80 8.00 -0.88 -4.96 116.55 110.70 1f5t n ASP 3051Ca 0.14 -2.42 -0.26 0.00 0.71 0.00 0.00 54.79 52.96 1f5t n ASP 3051Cb 0.12 -0.53 0.04 0.00 -0.02 0.00 0.00 41.12 40.74 1f5t n ASP 3051CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f5t n GLY 3052N 0.77 -1.06 0.00 0.44 0.00 -0.00 -4.92 105.19 100.42 1f5t n GLY 3052Ca 0.19 0.49 0.01 0.00 0.00 0.00 0.00 46.02 46.71 1f5t n GLY 3052CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1f5t n LEU 3053N -3.78 0.05 -3.72 0.99 4.77 -0.84 -4.54 117.00 109.94 1f5t n LEU 3053Ca -0.09 -0.40 -0.08 0.00 -0.03 0.00 0.00 56.01 55.41 1f5t n LEU 3053Cb 0.59 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.66 1f5t n LEU 3053CO 0.65 0.01 0.49 0.54 -1.33 0.00 0.00 177.39 177.75 1f5t s VAL 3054N -1.32 0.00 -0.05 4.08 0.11 -1.26 -2.92 120.40 119.04 1f5t s VAL 3054Ca 0.00 -0.66 -0.02 0.00 -2.93 0.00 0.00 61.98 58.37 1f5t s VAL 3054Cb 0.01 -1.70 0.03 0.00 -1.53 0.00 0.00 36.38 33.19 1f5t s VAL 3054CO 0.05 0.00 0.10 -0.69 -3.33 0.00 0.00 175.10 171.23 1f5t s VAL 3055N -3.77 -0.05 -0.32 2.04 1.01 0.90 -4.30 120.40 115.92 1f5t s VAL 3055Ca 0.08 0.18 -0.27 0.00 0.00 0.00 0.00 61.98 61.97 1f5t s VAL 3055Cb -0.04 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 36.18 1f5t s VAL 3055CO 0.01 0.07 0.98 -0.69 0.00 0.00 0.00 175.10 175.47 1f5t s VAL 3056N 1.03 4.59 0.34 2.92 1.01 -1.26 0.03 120.40 129.06 1f5t s VAL 3056Ca -0.08 1.54 -0.05 0.00 0.00 0.00 0.00 61.98 63.38 1f5t s VAL 3056Cb -0.11 -4.34 0.08 0.00 0.00 0.00 0.00 36.38 32.02 1f5t s VAL 3056CO -0.04 -0.42 0.19 0.00 0.00 0.00 0.00 175.10 174.82 1f5t n ALA 3057N 6.68 -1.16 0.07 5.51 0.00 0.22 -4.88 120.51 126.96 1f5t n ALA 3057Ca 0.09 -0.34 0.08 0.00 0.00 0.00 0.00 53.44 53.28 1f5t n ALA 3057Cb 0.47 -0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 1f5t n ALA 3057CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1f5t n SER 3058N -3.08 0.77 -1.61 0.00 2.88 -1.26 -3.37 113.62 107.95 1f5t n SER 3058Ca 0.03 0.31 0.08 0.00 -1.33 0.00 0.00 58.87 57.96 1f5t n SER 3058Cb 0.13 0.51 0.35 0.00 -0.75 0.00 0.00 64.21 64.45 1f5t n SER 3058CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1f5t n ASP 3059N -2.70 4.80 0.00 -3.46 5.75 -1.26 -4.91 116.55 114.77 1f5t n ASP 3059Ca -0.03 -2.59 0.00 0.00 -0.01 0.00 0.00 54.79 52.16 1f5t n ASP 3059Cb 0.64 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1f5t n ASP 3059CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1f5t n ARG 3060N 0.85 -0.02 -2.57 0.11 1.74 -1.22 -5.04 116.66 110.52 1f5t n ARG 3060Ca 0.24 0.01 -0.34 0.00 -0.77 0.00 0.00 57.85 56.99 1f5t n ARG 3060Cb 0.95 -2.70 -0.04 0.00 -1.02 0.00 0.00 32.46 29.65 1f5t n ARG 3060CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1f5t s SER 3061N -2.76 6.44 -0.43 0.55 1.04 -1.26 -4.51 113.70 112.76 1f5t s SER 3061Ca 0.00 1.92 -0.24 0.00 0.48 0.00 0.00 55.95 58.11 1f5t s SER 3061Cb 0.00 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.58 1f5t s SER 3061CO 0.00 -0.71 0.84 -0.76 0.98 0.00 0.00 173.24 173.59 1f5t s LEU 3062N -3.37 4.13 -0.42 2.42 1.43 0.85 0.71 118.68 124.44 1f5t s LEU 3062Ca 0.66 0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 53.69 1f5t s LEU 3062Cb -0.16 -3.07 0.03 0.00 0.03 0.00 0.00 46.19 43.02 1f5t s LEU 3062CO 0.20 -0.93 0.35 -1.10 0.23 0.00 0.00 176.35 175.10 1f5t s GLN 3063N 3.42 3.00 0.07 1.70 -1.52 0.10 -4.82 119.66 121.62 1f5t s GLN 3063Ca 0.33 -1.00 -0.31 0.00 -1.95 0.00 0.00 55.36 52.43 1f5t s GLN 3063Cb -0.12 -4.00 -0.06 0.00 -0.22 0.00 0.00 33.01 28.61 1f5t s GLN 3063CO 0.23 -0.82 1.26 -1.64 -0.25 0.00 0.00 175.29 174.07 1f5t s MET 3064N 1.79 4.39 0.57 2.91 -1.94 -1.26 -0.07 119.30 125.69 1f5t s MET 3064Ca 0.07 1.87 -0.07 0.00 -1.71 0.00 0.00 55.69 55.84 1f5t s MET 3064Cb -0.19 -3.33 -0.02 0.00 2.01 0.00 0.00 34.83 33.30 1f5t s MET 3064CO 0.10 -0.33 0.91 0.95 -0.01 0.00 0.00 175.02 176.64 1f5t s THR 3065N 1.16 4.34 0.24 2.05 -4.23 -1.15 -4.73 115.64 113.31 1f5t s THR 3065Ca 0.61 0.33 -0.15 0.00 -1.18 0.00 0.00 61.69 61.29 1f5t s THR 3065Cb -0.32 -3.70 0.28 0.00 1.34 0.00 0.00 72.50 70.10 1f5t s THR 3065CO 0.29 -0.78 1.56 -0.65 -0.54 0.00 0.00 174.62 174.50 1f5t h PRO 3066N -0.12 -0.02 -0.23 3.99 0.11 -1.92 0.34 132.00 134.15 1f5t h PRO 3066Ca -0.46 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.68 1f5t h PRO 3066Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1f5t h PRO 3066CO 0.62 -0.01 0.08 1.15 -0.21 0.00 0.00 178.00 179.63 1f5t h THR 3067N -0.02 0.95 -0.28 -1.15 2.02 -1.92 -0.89 112.91 111.62 1f5t h THR 3067Ca 0.36 -0.07 0.05 0.00 0.77 0.00 0.00 66.41 67.53 1f5t h THR 3067Cb 0.62 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 1f5t h THR 3067CO -0.94 0.04 0.01 1.23 0.37 0.00 0.00 175.52 176.22 1f5t h GLY 3068N 0.19 0.28 1.43 2.16 0.00 -0.61 -1.96 103.07 104.56 1f5t h GLY 3068Ca 0.10 0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.40 1f5t h GLY 3068CO -0.10 -0.05 0.04 -0.09 0.00 0.00 0.00 176.54 176.34 1f5t h ARG 3069N 0.09 0.71 -0.17 4.80 2.43 -0.46 0.16 114.38 121.93 1f5t h ARG 3069Ca 0.13 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1f5t h ARG 3069Cb 0.17 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1f5t h ARG 3069CO -0.22 0.69 0.05 1.15 -1.51 0.00 0.00 179.97 180.13 1f5t h THR 3070N 0.67 0.94 0.38 0.20 2.02 -0.75 -1.22 112.91 115.15 1f5t h THR 3070Ca 0.14 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 1f5t h THR 3070Cb 0.36 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1f5t h THR 3070CO 0.01 0.02 -0.18 -0.07 0.37 0.00 0.00 175.52 175.67 1f5t h LEU 3071N 0.12 -0.43 -0.86 2.58 3.38 -0.79 -2.54 115.31 116.77 1f5t h LEU 3071Ca 0.08 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1f5t h LEU 3071Cb 0.06 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.81 1f5t h LEU 3071CO -0.09 -0.22 -0.54 0.00 0.09 0.00 0.00 178.44 177.67 1f5t h ALA 3072N -0.02 -0.54 -0.42 1.53 0.00 -0.43 0.01 119.26 119.40 1f5t h ALA 3072Ca -0.05 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1f5t h ALA 3072Cb 0.45 1.32 -0.09 0.00 0.00 0.00 0.00 17.79 19.47 1f5t h ALA 3072CO 0.08 -0.91 -0.19 1.15 0.00 0.00 0.00 179.25 179.38 1f5t h THR 3073N -0.04 0.42 -0.09 0.00 2.02 -1.20 0.25 112.91 114.28 1f5t h THR 3073Ca 0.14 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.35 1f5t h THR 3073Cb 0.40 0.42 -0.06 0.00 -1.74 0.00 0.00 68.15 67.17 1f5t h THR 3073CO -0.83 0.00 -0.51 0.00 0.37 0.00 0.00 175.52 174.55 1f5t h ALA 3074N 1.19 -0.83 0.01 6.16 0.00 -0.62 0.89 119.26 126.06 1f5t h ALA 3074Ca 0.20 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1f5t h ALA 3074Cb 0.42 0.93 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 1f5t h ALA 3074CO -0.49 -1.06 -0.47 0.28 0.00 0.00 0.00 179.25 177.52 1f5t h VAL 3075N -0.59 0.09 -0.91 0.00 2.07 -0.37 -0.07 116.25 116.46 1f5t h VAL 3075Ca 0.04 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.79 1f5t h VAL 3075Cb 0.69 0.09 -0.13 0.00 -1.52 0.00 0.00 31.29 30.41 1f5t h VAL 3075CO -0.40 0.00 0.37 -0.03 0.02 0.00 0.00 177.57 177.53 1f5t h MET 3076N -0.62 0.33 0.00 1.57 -1.53 0.24 0.17 114.93 115.09 1f5t h MET 3076Ca 0.03 -0.02 -0.00 0.00 -3.44 0.00 0.00 59.70 56.27 1f5t h MET 3076Cb 0.69 -0.07 0.00 0.00 -0.55 0.00 0.00 31.60 31.66 1f5t h MET 3076CO -0.33 0.22 -0.00 -0.09 0.14 0.00 0.00 176.91 176.84 1f5t h ARG 3077N 0.34 -0.00 0.00 0.39 2.43 0.23 -2.90 114.38 114.86 1f5t h ARG 3077Ca 0.58 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.72 1f5t h ARG 3077Cb 1.15 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 1f5t h ARG 3077CO -0.57 0.23 -0.17 0.87 -1.51 0.00 0.00 179.97 178.82 1f5t h LYS 3078N -0.24 0.00 0.01 0.20 1.57 0.20 -2.33 116.57 115.97 1f5t h LYS 3078Ca -0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1f5t h LYS 3078Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1f5t h LYS 3078CO 0.00 0.17 -0.06 1.25 -0.57 0.00 0.00 179.45 180.24 1f5t h HIS 3079N 0.00 -0.14 -0.25 -1.35 2.76 -0.81 -0.51 115.15 114.84 1f5t h HIS 3079Ca -0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1f5t h HIS 3079Cb 0.31 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 1f5t h HIS 3079CO 0.00 -0.09 0.08 0.00 -1.30 0.00 0.00 177.93 176.63 1f5t h ARG 3080N -0.10 0.39 -0.91 5.26 3.08 -1.39 -0.70 114.38 120.00 1f5t h ARG 3080Ca 0.02 -0.08 0.06 0.00 0.07 0.00 0.00 59.98 60.05 1f5t h ARG 3080Cb 0.13 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 1f5t h ARG 3080CO -0.06 0.46 0.58 -0.07 -1.07 0.00 0.00 179.97 179.81 1f5t h LEU 3081N 0.25 0.92 0.36 3.04 3.38 -1.27 -0.83 115.31 121.16 1f5t h LEU 3081Ca 0.08 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1f5t h LEU 3081Cb 0.22 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1f5t h LEU 3081CO -0.00 0.60 -0.17 0.00 0.09 0.00 0.00 178.44 178.95 1f5t h ALA 3082N 1.41 -0.48 -0.92 1.53 0.00 -0.87 -1.57 119.26 118.36 1f5t h ALA 3082Ca 0.39 -0.16 0.24 0.00 0.00 0.00 0.00 54.91 55.38 1f5t h ALA 3082Cb 0.14 0.19 -0.13 0.00 0.00 0.00 0.00 17.79 17.98 1f5t h ALA 3082CO -0.16 -0.68 0.40 0.93 0.00 0.00 0.00 179.25 179.74 1f5t h GLU 3083N -0.68 0.34 0.34 0.00 5.08 -0.54 0.51 114.58 119.64 1f5t h GLU 3083Ca -0.05 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1f5t h GLU 3083Cb 0.48 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1f5t h GLU 3083CO 0.08 0.23 -0.16 0.00 -1.00 0.00 0.00 179.01 178.15 1f5t h ARG 3084N 0.35 -0.44 -0.95 2.33 3.08 -1.09 -2.58 114.38 115.09 1f5t h ARG 3084Ca 0.60 0.03 0.39 0.00 0.07 0.00 0.00 59.98 61.07 1f5t h ARG 3084Cb 1.20 0.10 -0.17 0.00 0.08 0.00 0.00 29.97 31.18 1f5t h ARG 3084CO -0.57 -0.29 0.49 -0.11 -1.07 0.00 0.00 179.97 178.42 1f5t n LEU 3085N -4.40 0.31 0.06 3.04 -0.00 -0.60 0.11 117.00 115.52 1f5t n LEU 3085Ca -0.06 1.58 -0.13 0.00 -0.00 0.00 0.00 56.01 57.41 1f5t n LEU 3085Cb 0.18 -0.76 -0.09 0.00 -0.00 0.00 0.00 43.42 42.75 1f5t n LEU 3085CO 0.14 -1.76 0.57 -0.07 -0.00 0.00 0.00 177.39 176.26 1f5t h LEU 3086N 0.00 -0.15 -0.29 -1.96 3.38 -0.95 -2.78 115.31 112.56 1f5t h LEU 3086Ca 0.80 -0.34 -0.17 0.00 0.09 0.00 0.00 57.88 58.26 1f5t h LEU 3086Cb 2.10 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.86 1f5t h LEU 3086CO -0.74 0.29 -0.82 0.00 0.09 0.00 0.00 178.44 177.26 1f5t h THR 3087N -0.64 1.55 0.00 0.22 1.03 -0.12 0.65 112.91 115.60 1f5t h THR 3087Ca -0.02 -2.85 -0.21 0.00 -0.01 0.00 0.00 66.41 63.32 1f5t h THR 3087Cb 0.48 2.56 -0.03 0.00 -1.07 0.00 0.00 68.15 70.09 1f5t h THR 3087CO 0.03 0.80 -1.16 0.44 -0.01 0.00 0.00 175.52 175.63 1f5t h ASP 3088N 0.00 0.01 0.00 0.00 3.45 0.62 -3.31 116.42 117.19 1f5t h ASP 3088Ca -0.01 -0.56 0.00 0.00 0.43 0.00 0.00 57.03 56.89 1f5t h ASP 3088Cb 1.49 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.26 1f5t h ASP 3088CO 0.11 1.45 -1.42 2.30 -1.57 0.00 0.00 179.24 180.11 1f5t n ILE 3089N -4.43 0.00 -0.05 0.35 -5.35 -1.13 -4.47 119.36 104.27 1f5t n ILE 3089Ca -0.30 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 1f5t n ILE 3089Cb 0.67 0.44 -0.15 0.00 -1.74 0.00 0.00 39.64 38.85 1f5t n ILE 3089CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1f5t n ILE 3090N -1.84 0.66 -3.00 7.28 5.41 -1.06 -5.06 119.36 121.75 1f5t n ILE 3090Ca -0.01 -0.64 -0.15 0.00 1.00 0.00 0.00 62.75 62.96 1f5t n ILE 3090Cb 0.38 -0.23 0.02 0.00 -0.71 0.00 0.00 39.64 39.10 1f5t n ILE 3090CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1f5t n GLY 3091N 1.58 -1.09 3.39 7.39 0.00 0.21 -4.97 105.19 111.70 1f5t n GLY 3091Ca -0.17 1.20 -0.28 0.00 0.00 0.00 0.00 46.02 46.77 1f5t n GLY 3091CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1f5t s LEU 3092N -2.52 2.35 -0.37 0.99 2.96 -1.17 -5.00 118.68 115.92 1f5t s LEU 3092Ca 0.27 -0.78 -0.34 0.00 -0.22 0.00 0.00 54.13 53.05 1f5t s LEU 3092Cb -0.06 -1.18 -0.15 0.00 0.50 0.00 0.00 46.19 45.30 1f5t s LEU 3092CO 0.79 0.15 1.40 -0.67 -1.32 0.00 0.00 176.35 176.70 1f5t n ASP 3093N 0.72 0.73 -0.08 3.68 -0.08 -1.26 -4.72 116.55 115.54 1f5t n ASP 3093Ca -0.16 0.70 0.19 0.00 -1.51 0.00 0.00 54.79 54.01 1f5t n ASP 3093Cb 0.54 -0.67 0.62 0.00 2.34 0.00 0.00 41.12 43.96 1f5t n ASP 3093CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1f5t h ILE 3094N 4.50 0.74 -0.49 5.18 6.09 -1.98 -0.87 117.51 130.69 1f5t h ILE 3094Ca -0.20 -0.05 -0.05 0.00 -1.37 0.00 0.00 64.86 63.19 1f5t h ILE 3094Cb 1.04 0.58 -0.02 0.00 0.47 0.00 0.00 36.82 38.89 1f5t h ILE 3094CO 0.78 0.03 0.12 0.78 -3.07 0.00 0.00 178.15 176.78 1f5t h ASN 3095N 0.15 0.74 -0.31 2.19 2.35 -2.06 -3.09 115.58 115.56 1f5t h ASN 3095Ca 0.31 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1f5t h ASN 3095Cb 1.01 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 1f5t h ASN 3095CO -0.05 0.78 0.02 0.29 -1.65 0.00 0.00 177.43 176.83 1f5t n LYS 3096N -4.47 2.90 0.04 0.81 5.02 -0.35 -4.42 118.16 117.69 1f5t n LYS 3096Ca 0.01 -1.60 -0.22 0.00 -2.02 0.00 0.00 58.31 54.48 1f5t n LYS 3096Cb 0.22 -1.87 -0.14 0.00 -0.02 0.00 0.00 35.03 33.22 1f5t n LYS 3096CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1f5t h VAL 3097N 1.93 0.84 0.09 -0.18 2.07 -1.43 -3.29 116.25 116.28 1f5t h VAL 3097Ca 0.02 -2.43 -0.00 0.00 0.82 0.00 0.00 66.70 65.11 1f5t h VAL 3097Cb 1.31 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.73 1f5t h VAL 3097CO 0.27 0.84 -0.04 -0.74 0.02 0.00 0.00 177.57 177.92 1f5t h HIS 3098N 0.01 -0.11 -0.04 1.57 -0.00 -1.80 -1.20 115.15 113.57 1f5t h HIS 3098Ca -0.37 -0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.03 1f5t h HIS 3098Cb 2.01 0.04 -0.06 0.00 -0.00 0.00 0.00 27.41 29.40 1f5t h HIS 3098CO 0.10 0.01 -0.40 -0.44 -0.00 0.00 0.00 177.93 177.20 1f5t h ASP 3099N -0.21 -1.23 -0.74 3.26 3.32 -1.87 0.55 116.42 119.51 1f5t h ASP 3099Ca -0.01 0.16 0.14 0.00 0.02 0.00 0.00 57.03 57.34 1f5t h ASP 3099Cb 0.17 0.49 -0.10 0.00 0.22 0.00 0.00 39.33 40.11 1f5t h ASP 3099CO 0.02 -0.43 0.28 -0.08 -1.72 0.00 0.00 179.24 177.31 1f5t h GLU 3100N -0.53 0.40 -0.22 3.56 4.57 -1.61 0.28 114.58 121.04 1f5t h GLU 3100Ca 0.06 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.16 1f5t h GLU 3100Cb 0.63 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1f5t h GLU 3100CO -0.33 0.27 -0.10 0.00 -1.18 0.00 0.00 179.01 177.66 1f5t h ALA 3101N 1.55 1.43 0.00 2.92 0.00 0.25 -2.37 119.26 123.04 1f5t h ALA 3101Ca 0.41 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1f5t h ALA 3101Cb 0.63 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1f5t h ALA 3101CO -0.41 0.40 0.00 -3.47 0.00 0.00 0.00 179.25 175.77 1f5t n ASP 3102N -4.26 0.57 -0.12 0.00 -0.08 0.18 -1.52 116.55 111.32 1f5t n ASP 3102Ca 0.00 0.74 -0.20 0.00 -1.51 0.00 0.00 54.79 53.82 1f5t n ASP 3102Cb 0.27 -0.82 -0.10 0.00 2.34 0.00 0.00 41.12 42.81 1f5t n ASP 3102CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1f5t n ARG 3103N -2.24 0.54 -0.08 -0.67 1.74 -0.93 -4.52 116.66 110.50 1f5t n ARG 3103Ca -0.01 0.17 0.03 0.00 -0.77 0.00 0.00 57.85 57.27 1f5t n ARG 3103Cb 0.07 -1.41 0.36 0.00 -1.02 0.00 0.00 32.46 30.46 1f5t n ARG 3103CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1f5t h TRP 3104N -0.39 0.68 -0.89 -1.55 4.06 -1.16 -2.24 115.95 114.45 1f5t h TRP 3104Ca -0.55 0.02 0.19 0.00 2.06 0.00 0.00 58.89 60.60 1f5t h TRP 3104Cb 1.67 -0.23 -0.07 0.00 -1.00 0.00 0.00 29.16 29.53 1f5t h TRP 3104CO -0.02 0.42 0.58 1.05 -3.56 0.00 0.00 178.44 176.92 1f5t h GLU 3105N 0.73 0.45 -0.01 0.49 4.11 -1.50 -0.71 114.58 118.14 1f5t h GLU 3105Ca 0.20 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.60 1f5t h GLU 3105Cb -0.07 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1f5t h GLU 3105CO -0.04 0.30 -0.05 0.72 0.07 0.00 0.00 179.01 180.00 1f5t n HIS 3106N -4.53 0.00 -0.48 2.06 8.25 -0.84 -3.92 115.22 115.76 1f5t n HIS 3106Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1f5t n HIS 3106Cb 0.64 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.68 1f5t n HIS 3106CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1f5t n VAL 3107N -0.59 0.55 -3.33 1.59 0.24 -0.33 -4.94 118.33 111.51 1f5t n VAL 3107Ca 0.18 -0.55 -0.38 0.00 -2.04 0.00 0.00 64.34 61.55 1f5t n VAL 3107Cb 0.26 0.72 -0.06 0.00 -1.47 0.00 0.00 33.84 33.29 1f5t n VAL 3107CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1f5t s MET 3108N -0.56 4.32 0.44 7.34 0.00 -0.86 -5.07 119.30 124.91 1f5t s MET 3108Ca 0.00 0.41 -0.12 0.00 0.00 0.00 0.00 55.69 55.98 1f5t s MET 3108Cb 0.00 -3.44 -0.07 0.00 0.00 0.00 0.00 34.83 31.32 1f5t s MET 3108CO 0.00 0.15 0.83 -1.54 0.00 0.00 0.00 175.02 174.46 1f5t s SER 3109N 0.65 6.55 0.22 1.11 1.04 -1.26 -4.91 113.70 117.10 1f5t s SER 3109Ca 0.25 1.27 -0.09 0.00 0.48 0.00 0.00 55.95 57.86 1f5t s SER 3109Cb -0.15 -2.38 0.19 0.00 0.10 0.00 0.00 66.02 63.78 1f5t s SER 3109CO 0.10 -0.46 1.89 0.44 0.98 0.00 0.00 173.24 176.19 1f5t h ASP 3110N 1.16 0.97 -0.54 7.02 3.45 -1.97 0.40 116.42 126.90 1f5t h ASP 3110Ca -0.47 -0.04 0.11 0.00 0.43 0.00 0.00 57.03 57.06 1f5t h ASP 3110Cb 1.19 -0.24 -0.10 0.00 -0.56 0.00 0.00 39.33 39.61 1f5t h ASP 3110CO 0.63 0.72 -0.13 -0.08 -1.57 0.00 0.00 179.24 178.82 1f5t h GLU 3111N 1.14 0.01 -0.03 3.56 4.22 -2.00 0.14 114.58 121.61 1f5t h GLU 3111Ca 0.30 -0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.59 1f5t h GLU 3111Cb -0.11 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1f5t h GLU 3111CO -0.06 0.00 -0.68 0.28 -2.18 0.00 0.00 179.01 176.37 1f5t h VAL 3112N 0.01 1.43 -0.07 0.32 2.07 -1.71 -2.71 116.25 115.59 1f5t h VAL 3112Ca 0.26 -2.20 0.02 0.00 0.82 0.00 0.00 66.70 65.60 1f5t h VAL 3112Cb 0.40 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1f5t h VAL 3112CO -0.55 0.64 -0.04 -0.08 0.02 0.00 0.00 177.57 177.56 1f5t h GLU 3113N 0.11 -0.04 0.16 1.57 4.81 0.21 -0.45 114.58 120.95 1f5t h GLU 3113Ca -0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1f5t h GLU 3113Cb 1.21 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1f5t h GLU 3113CO 0.10 -0.03 -0.08 0.00 -0.73 0.00 0.00 179.01 178.28 1f5t h ARG 3114N -0.04 -0.20 -0.92 1.92 3.08 -0.85 -2.34 114.38 115.03 1f5t h ARG 3114Ca 0.04 0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.29 1f5t h ARG 3114Cb 0.11 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.13 1f5t h ARG 3114CO -0.10 -0.02 0.59 0.00 -1.07 0.00 0.00 179.97 179.38 1f5t h ARG 3115N -0.36 0.56 -0.16 0.04 2.47 -1.33 -1.76 114.38 113.85 1f5t h ARG 3115Ca -0.02 -0.03 -0.14 0.00 -1.26 0.00 0.00 59.98 58.52 1f5t h ARG 3115Cb 0.28 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 1f5t h ARG 3115CO 0.04 0.37 -0.52 1.25 0.56 0.00 0.00 179.97 181.67 1f5t h LEU 3116N 0.58 0.48 -1.10 3.04 5.85 -0.72 -1.17 115.31 122.26 1f5t h LEU 3116Ca 0.49 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.88 1f5t h LEU 3116Cb 0.96 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1f5t h LEU 3116CO -0.23 0.91 -0.34 1.62 -0.34 0.00 0.00 178.44 180.05 1f5t h VAL 3117N 0.34 1.27 0.09 1.05 3.04 -0.80 -3.12 116.25 118.13 1f5t h VAL 3117Ca 0.01 -1.32 -0.00 0.00 -1.01 0.00 0.00 66.70 64.38 1f5t h VAL 3117Cb 1.02 1.59 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 1f5t h VAL 3117CO 0.09 0.39 -0.04 0.50 -1.01 0.00 0.00 177.57 177.50 1f5t h LYS 3118N 0.16 -0.11 -0.70 4.17 3.64 -1.40 -3.32 116.57 119.01 1f5t h LYS 3118Ca 0.02 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1f5t h LYS 3118Cb 0.69 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1f5t h LYS 3118CO 0.05 0.28 0.00 1.33 -2.27 0.00 0.00 179.45 178.84 1f5t n VAL 3119N -4.82 0.10 -2.46 2.00 0.24 -0.45 -3.08 118.33 109.86 1f5t n VAL 3119Ca -0.05 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.12 1f5t n VAL 3119Cb 0.22 -0.34 0.03 0.00 -1.47 0.00 0.00 33.84 32.29 1f5t n VAL 3119CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1f5t n LEU 3120N 0.39 3.18 0.00 1.34 4.77 -1.18 -5.01 117.00 120.49 1f5t n LEU 3120Ca 0.00 -3.98 0.00 0.00 -0.03 0.00 0.00 56.01 52.00 1f5t n LEU 3120Cb 0.14 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1f5t n LEU 3120CO 0.00 1.62 0.00 0.29 -1.33 0.00 0.00 177.39 177.97