#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4a n PRO 5002N 0.00 1.81 -2.85 0.00 -0.02 -1.26 -4.91 135.00 127.77 1n4a n PRO 5002Ca 0.00 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 1n4a n PRO 5002Cb 0.00 -2.28 -0.04 0.00 -0.02 0.00 0.00 33.50 31.15 1n4a n PRO 5002CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1n4a s ARG 5003N -0.18 3.94 -0.07 -0.52 0.52 -1.26 -4.95 118.95 116.43 1n4a s ARG 5003Ca 0.71 0.67 0.05 0.00 -0.52 0.00 0.00 55.73 56.64 1n4a s ARG 5003Cb -0.71 -3.75 -0.01 0.00 0.52 0.00 0.00 34.95 30.99 1n4a s ARG 5003CO 0.48 -0.80 -0.21 0.08 0.02 0.00 0.00 175.30 174.87 1n4a s VAL 5004N 3.22 2.37 -0.09 3.52 1.01 -1.26 0.43 120.40 129.61 1n4a s VAL 5004Ca 0.36 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1n4a s VAL 5004Cb -0.13 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1n4a s VAL 5004CO 0.15 0.57 -0.16 -0.63 0.00 0.00 0.00 175.10 175.02 1n4a s ILE 5005N -0.19 2.83 -0.12 2.22 -1.09 -0.10 -0.63 121.20 124.11 1n4a s ILE 5005Ca -0.02 -0.77 -0.00 0.00 -2.23 0.00 0.00 60.65 57.63 1n4a s ILE 5005Cb -0.13 -2.14 -0.02 0.00 -1.58 0.00 0.00 42.46 38.59 1n4a s ILE 5005CO 0.03 0.55 -0.11 0.42 -1.23 0.00 0.00 174.94 174.61 1n4a s THR 5006N -0.03 3.25 -1.66 2.92 -4.23 -0.47 0.61 115.64 116.04 1n4a s THR 5006Ca -0.04 -0.60 0.21 0.00 -1.18 0.00 0.00 61.69 60.08 1n4a s THR 5006Cb -0.14 -2.37 0.68 0.00 1.34 0.00 0.00 72.50 72.00 1n4a s THR 5006CO 0.04 0.53 1.57 0.18 -0.54 0.00 0.00 174.62 176.40 1n4a n LEU 5007N 3.34 4.25 -3.64 4.79 4.32 -0.46 -1.90 117.00 127.69 1n4a n LEU 5007Ca -0.18 -2.13 -0.14 0.00 -0.02 0.00 0.00 56.01 53.54 1n4a n LEU 5007Cb 0.53 -0.53 -0.06 0.00 -1.62 0.00 0.00 43.42 41.74 1n4a n LEU 5007CO 0.30 0.90 0.19 -0.94 -1.22 0.00 0.00 177.39 176.63 1n4a s SER 5008N -0.95 -0.34 0.31 -1.43 1.04 -1.26 -4.79 113.70 106.28 1n4a s SER 5008Ca 0.50 0.11 0.01 0.00 0.48 0.00 0.00 55.95 57.05 1n4a s SER 5008Cb 0.28 0.44 0.54 0.00 0.10 0.00 0.00 66.02 67.38 1n4a s SER 5008CO 0.30 -0.65 1.94 -0.65 0.98 0.00 0.00 173.24 175.16 1n4a h PRO 5009N 3.06 0.98 -0.52 4.02 0.11 -1.84 -1.29 132.00 136.52 1n4a h PRO 5009Ca -0.31 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.65 1n4a h PRO 5009Cb 1.20 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1n4a h PRO 5009CO 0.42 0.65 -0.03 0.00 -0.21 0.00 0.00 178.00 178.83 1n4a h ALA 5010N 1.52 0.70 0.00 -0.75 0.00 -1.93 -2.66 119.26 116.14 1n4a h ALA 5010Ca 0.35 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1n4a h ALA 5010Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1n4a h ALA 5010CO -0.12 0.55 -0.36 -0.91 0.00 0.00 0.00 179.25 178.41 1n4a h ASN 5011N 0.80 0.00 -0.41 0.00 2.35 -1.71 -1.27 115.58 115.34 1n4a h ASN 5011Ca 0.14 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 1n4a h ASN 5011Cb 0.57 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 1n4a h ASN 5011CO 0.03 0.36 -0.07 0.74 -1.65 0.00 0.00 177.43 176.84 1n4a h THR 5012N 0.00 1.27 -0.77 2.81 2.02 -1.08 -1.18 112.91 115.98 1n4a h THR 5012Ca -0.00 -1.15 -0.03 0.00 0.77 0.00 0.00 66.41 65.99 1n4a h THR 5012Cb 0.67 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 1n4a h THR 5012CO 0.05 0.39 0.36 -0.33 0.37 0.00 0.00 175.52 176.36 1n4a h GLU 5013N 0.60 1.11 -0.38 6.66 5.08 -1.10 -1.59 114.58 124.96 1n4a h GLU 5013Ca 0.11 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1n4a h GLU 5013Cb 0.59 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1n4a h GLU 5013CO 0.04 0.87 0.20 -0.07 -1.00 0.00 0.00 179.01 179.04 1n4a h LEU 5014N 1.09 0.49 -0.23 1.33 3.38 -1.04 0.40 115.31 120.74 1n4a h LEU 5014Ca 0.26 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1n4a h LEU 5014Cb 0.13 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1n4a h LEU 5014CO -0.03 0.47 0.12 0.00 0.09 0.00 0.00 178.44 179.08 1n4a h ALA 5015N 1.05 0.27 -0.53 1.53 0.00 -0.86 -1.51 119.26 119.22 1n4a h ALA 5015Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1n4a h ALA 5015Cb 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1n4a h ALA 5015CO -0.02 -0.28 0.11 0.74 0.00 0.00 0.00 179.25 179.80 1n4a h PHE 5016N 0.26 0.90 0.00 0.00 -1.00 -1.13 0.17 116.94 116.14 1n4a h PHE 5016Ca 0.09 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 1n4a h PHE 5016Cb 0.01 -0.25 -0.00 0.00 3.61 0.00 0.00 35.95 39.32 1n4a h PHE 5016CO -0.09 0.80 -0.03 0.00 -1.61 0.00 0.00 178.31 177.38 1n4a h ALA 5017N 1.00 1.11 -0.01 2.45 0.00 -0.67 0.11 119.26 123.25 1n4a h ALA 5017Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1n4a h ALA 5017Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1n4a h ALA 5017CO 0.01 0.04 -0.21 0.00 0.00 0.00 0.00 179.25 179.08 1n4a n ALA 5018N -2.15 2.99 -0.41 0.00 0.00 -0.59 -4.08 120.51 116.26 1n4a n ALA 5018Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1n4a n ALA 5018Cb 0.17 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1n4a n ALA 5018CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n4a n GLY 5019N 1.31 0.77 3.84 0.00 0.00 0.39 -3.59 105.19 107.92 1n4a n GLY 5019Ca 0.13 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1n4a n GLY 5019CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n4a s ILE 5020N -2.00 5.41 -0.39 -0.61 1.01 0.57 -4.26 121.20 120.93 1n4a s ILE 5020Ca 0.00 0.17 -0.06 0.00 0.00 0.00 0.00 60.65 60.76 1n4a s ILE 5020Cb 0.00 -3.37 0.08 0.00 0.01 0.00 0.00 42.46 39.18 1n4a s ILE 5020CO 0.00 0.59 0.18 -0.89 0.00 0.00 0.00 174.94 174.82 1n4a s THR 5021N -0.79 3.73 0.67 2.92 2.01 -1.26 -3.08 115.64 119.83 1n4a s THR 5021Ca 0.14 -1.52 -0.17 0.00 0.31 0.00 0.00 61.69 60.44 1n4a s THR 5021Cb -0.12 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.09 1n4a s THR 5021CO 0.03 -0.44 1.25 -2.84 -0.69 0.00 0.00 174.62 171.93 1n4a s PRO 5022N 1.32 2.48 0.00 4.92 0.02 -1.26 -4.72 135.00 137.77 1n4a s PRO 5022Ca 0.02 1.94 0.25 0.00 0.02 0.00 0.00 61.00 63.23 1n4a s PRO 5022Cb -0.22 -1.85 0.47 0.00 0.02 0.00 0.00 34.50 32.92 1n4a s PRO 5022CO 0.00 -1.62 1.41 1.33 -0.33 0.00 0.00 177.00 177.80 1n4a n VAL 5023N -2.11 0.00 -3.64 3.83 0.24 0.19 -4.88 118.33 111.96 1n4a n VAL 5023Ca 0.15 -0.40 -0.06 0.00 -2.04 0.00 0.00 64.34 61.98 1n4a n VAL 5023Cb 0.49 1.14 -0.07 0.00 -1.47 0.00 0.00 33.84 33.94 1n4a n VAL 5023CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1n4a s GLY 5024N -2.03 -0.28 0.33 7.63 0.00 -1.24 -4.56 107.32 107.16 1n4a s GLY 5024Ca 0.31 2.71 0.03 0.00 0.00 0.00 0.00 44.72 47.77 1n4a s GLY 5024CO 0.33 2.28 0.10 -1.34 0.00 0.00 0.00 173.10 174.47 1n4a s VAL 5025N 1.08 0.80 0.61 1.40 -7.23 -0.52 -1.36 120.40 115.18 1n4a s VAL 5025Ca -0.06 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.11 1n4a s VAL 5025Cb -0.04 -2.62 0.05 0.00 0.56 0.00 0.00 36.38 34.33 1n4a s VAL 5025CO -0.13 0.00 0.85 -0.94 -0.31 0.00 0.00 175.10 174.58 1n4a s SER 5026N -3.47 5.03 0.78 4.85 1.04 -0.80 -0.30 113.70 120.84 1n4a s SER 5026Ca 0.33 0.01 -0.12 0.00 0.48 0.00 0.00 55.95 56.65 1n4a s SER 5026Cb 0.07 -0.77 0.07 0.00 0.10 0.00 0.00 66.02 65.48 1n4a s SER 5026CO 0.15 -1.35 1.14 -0.94 0.98 0.00 0.00 173.24 173.22 1n4a s SER 5027N -4.49 4.12 0.00 7.02 1.04 0.04 -2.60 113.70 118.82 1n4a s SER 5027Ca 0.59 2.09 0.00 0.00 0.48 0.00 0.00 55.95 59.11 1n4a s SER 5027Cb -0.10 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1n4a s SER 5027CO 0.41 -2.30 0.00 -1.22 0.98 0.00 0.00 173.24 171.10 1n4a n TYR 5028N -3.30 0.00 -2.43 5.02 4.02 -1.26 -4.49 117.16 114.72 1n4a n TYR 5028Ca 0.11 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.59 1n4a n TYR 5028Cb 0.52 -0.91 -0.01 0.00 -0.02 0.00 0.00 39.34 38.92 1n4a n TYR 5028CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1n4a n SER 5029N -0.17 4.57 -1.02 7.72 7.64 -1.07 -4.62 113.62 126.67 1n4a n SER 5029Ca 0.00 -2.88 0.10 0.00 1.01 0.00 0.00 58.87 57.10 1n4a n SER 5029Cb 0.09 -1.73 0.20 0.00 -1.01 0.00 0.00 64.21 61.76 1n4a n SER 5029CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1n4a n ASP 5030N 9.07 3.29 -3.78 6.43 5.68 -1.26 -3.67 116.55 132.31 1n4a n ASP 5030Ca 0.49 -1.94 -0.15 0.00 -0.50 0.00 0.00 54.79 52.69 1n4a n ASP 5030Cb 0.45 -0.26 -0.16 0.00 -1.14 0.00 0.00 41.12 40.01 1n4a n ASP 5030CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1n4a s TYR 5031N -1.24 0.05 1.01 2.11 5.04 -1.26 -3.89 117.35 119.16 1n4a s TYR 5031Ca 0.35 0.12 -0.12 0.00 -2.44 0.00 0.00 57.07 54.98 1n4a s TYR 5031Cb 0.20 -0.24 0.20 0.00 0.35 0.00 0.00 41.96 42.46 1n4a s TYR 5031CO 0.27 -0.09 1.08 -2.14 -1.34 0.00 0.00 175.55 173.33 1n4a s PRO 5032N 1.05 0.31 0.44 4.97 0.02 -1.26 -3.94 135.00 136.58 1n4a s PRO 5032Ca -0.09 0.88 0.22 0.00 0.02 0.00 0.00 61.00 62.03 1n4a s PRO 5032Cb -0.13 -1.69 1.19 0.00 0.02 0.00 0.00 34.50 33.89 1n4a s PRO 5032CO -0.03 -2.91 1.83 -1.35 -0.33 0.00 0.00 177.00 174.21 1n4a h PRO 5033N -2.04 0.30 -0.78 5.54 0.11 -1.97 -0.48 132.00 132.68 1n4a h PRO 5033Ca -0.54 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.67 1n4a h PRO 5033Cb 1.31 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 1n4a h PRO 5033CO 0.52 0.20 0.51 1.96 -0.21 0.00 0.00 178.00 180.97 1n4a h GLN 5034N 0.31 0.61 -0.23 1.05 4.20 -1.95 -2.07 115.11 117.03 1n4a h GLN 5034Ca 0.51 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 59.25 1n4a h GLN 5034Cb 1.46 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.10 1n4a h GLN 5034CO -0.18 0.41 0.17 0.00 -0.67 0.00 0.00 178.83 178.56 1n4a h ALA 5035N 1.62 2.16 0.00 3.87 0.00 -1.36 -2.46 119.26 123.09 1n4a h ALA 5035Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1n4a h ALA 5035Cb 0.56 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1n4a h ALA 5035CO -0.14 -0.29 0.02 1.96 0.00 0.00 0.00 179.25 180.81 1n4a h GLN 5036N 0.00 0.00 0.03 0.00 4.20 -1.44 -2.21 115.11 115.69 1n4a h GLN 5036Ca 0.11 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.52 1n4a h GLN 5036Cb 0.45 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 1n4a h GLN 5036CO -0.00 0.00 -1.64 0.87 -0.67 0.00 0.00 178.83 177.39 1n4a h LYS 5037N 0.00 0.07 -6.87 1.46 1.57 -1.64 -3.47 116.57 107.68 1n4a h LYS 5037Ca 0.00 -0.11 -0.53 0.00 -1.87 0.00 0.00 60.65 58.13 1n4a h LYS 5037Cb 0.05 0.04 0.09 0.00 0.08 0.00 0.00 32.23 32.49 1n4a h LYS 5037CO 0.00 0.73 0.79 0.42 -0.57 0.00 0.00 179.45 180.82 1n4a s ILE 5038N -2.61 2.22 0.37 1.86 1.01 -0.83 -4.94 121.20 118.29 1n4a s ILE 5038Ca -0.07 0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.51 1n4a s ILE 5038Cb 0.08 -3.13 -0.11 0.00 0.01 0.00 0.00 42.46 39.31 1n4a s ILE 5038CO 0.82 0.04 1.47 -1.83 0.00 0.00 0.00 174.94 175.44 1n4a s GLU 5039N -1.35 4.14 0.16 2.79 -1.05 -1.26 -4.66 118.70 117.47 1n4a s GLU 5039Ca 0.56 2.53 -0.26 0.00 -0.15 0.00 0.00 54.97 57.65 1n4a s GLU 5039Cb -0.45 -2.98 -0.08 0.00 -0.44 0.00 0.00 34.13 30.18 1n4a s GLU 5039CO 0.55 -0.50 0.81 -0.65 0.95 0.00 0.00 175.26 176.42 1n4a s GLN 5040N -1.98 4.61 0.00 -4.83 -0.21 -1.26 -1.44 119.66 114.55 1n4a s GLN 5040Ca 0.53 1.21 0.00 0.00 0.02 0.00 0.00 55.36 57.12 1n4a s GLN 5040Cb -0.46 -3.29 0.00 0.00 1.00 0.00 0.00 33.01 30.27 1n4a s GLN 5040CO 0.61 0.50 0.28 1.33 -2.12 0.00 0.00 175.29 175.89 1n4a n VAL 5041N 1.81 0.00 -3.79 1.09 0.24 0.59 -4.88 118.33 113.39 1n4a n VAL 5041Ca -0.04 -0.38 -0.07 0.00 -2.04 0.00 0.00 64.34 61.81 1n4a n VAL 5041Cb 0.49 1.18 -0.02 0.00 -1.47 0.00 0.00 33.84 34.02 1n4a n VAL 5041CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1n4a s SER 5042N -0.20 -0.29 0.05 -1.34 1.04 -1.25 -0.64 113.70 111.07 1n4a s SER 5042Ca 0.00 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1n4a s SER 5042Cb 0.00 0.69 -0.00 0.00 0.10 0.00 0.00 66.02 66.81 1n4a s SER 5042CO 0.00 -1.26 0.06 0.35 0.98 0.00 0.00 173.24 173.38 1n4a n THR 5043N -0.45 0.00 -0.08 2.02 -2.24 0.63 -0.78 114.28 113.39 1n4a n THR 5043Ca -0.06 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 1n4a n THR 5043Cb 0.60 0.16 -0.09 0.00 -2.10 0.00 0.00 70.33 68.90 1n4a n THR 5043CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1n4a h TRP 5044N 1.15 -1.51 -0.48 4.78 7.01 -1.97 -3.10 115.95 121.83 1n4a h TRP 5044Ca -0.04 0.07 -0.33 0.00 2.11 0.00 0.00 58.89 60.70 1n4a h TRP 5044Cb 0.17 0.69 -0.23 0.00 -2.10 0.00 0.00 29.16 27.69 1n4a h TRP 5044CO 0.00 -0.47 -0.43 1.04 -2.79 0.00 0.00 178.44 175.80 1n4a n GLN 5045N -5.13 2.59 -0.85 2.65 6.02 -1.26 -4.92 117.38 116.48 1n4a n GLN 5045Ca -0.04 -3.65 0.00 0.00 -0.01 0.00 0.00 57.00 53.30 1n4a n GLN 5045Cb 0.32 -2.00 0.00 0.00 1.02 0.00 0.00 30.24 29.58 1n4a n GLN 5045CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n4a n GLY 5046N -0.93 1.99 2.53 1.08 0.00 -1.17 -5.11 105.19 103.58 1n4a n GLY 5046Ca 0.37 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 1n4a n GLY 5046CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1n4a s ASN 5048N -0.23 2.89 0.37 1.61 3.84 0.19 -0.27 114.94 123.34 1n4a s ASN 5048Ca 0.00 -1.78 0.09 0.00 0.21 0.00 0.00 52.86 51.39 1n4a s ASN 5048Cb 0.00 -0.24 0.72 0.00 -0.55 0.00 0.00 41.25 41.19 1n4a s ASN 5048CO 0.00 -0.35 1.87 -0.07 -2.79 0.00 0.00 177.10 175.76 1n4a h LEU 5049N 7.51 0.21 -0.12 3.21 4.07 -1.99 -1.82 115.31 126.37 1n4a h LEU 5049Ca -0.03 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 1n4a h LEU 5049Cb 1.00 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.68 1n4a h LEU 5049CO 0.31 0.42 0.05 -0.33 -1.08 0.00 0.00 178.44 177.81 1n4a h GLU 5050N 0.20 0.19 -0.38 1.13 4.39 -1.99 -0.17 114.58 117.95 1n4a h GLU 5050Ca 0.04 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1n4a h GLU 5050Cb 0.48 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1n4a h GLU 5050CO 0.03 0.30 0.06 -0.09 -1.16 0.00 0.00 179.01 178.15 1n4a h ARG 5051N 0.04 0.62 -0.30 2.33 9.65 -1.91 -0.72 114.38 124.09 1n4a h ARG 5051Ca 0.04 -0.17 -0.00 0.00 -1.10 0.00 0.00 59.98 58.75 1n4a h ARG 5051Cb 0.18 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 1n4a h ARG 5051CO -0.00 0.68 0.18 0.82 2.80 0.00 0.00 179.97 184.45 1n4a h ILE 5052N 0.47 1.10 -0.67 1.20 2.04 -1.26 -0.91 117.51 119.49 1n4a h ILE 5052Ca 0.11 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.68 1n4a h ILE 5052Cb 0.36 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1n4a h ILE 5052CO 0.01 0.10 0.17 0.58 0.00 0.00 0.00 178.15 179.01 1n4a h VAL 5053N 0.39 1.26 -0.12 1.67 2.07 -0.90 -2.73 116.25 117.88 1n4a h VAL 5053Ca 0.11 -0.94 -0.07 0.00 0.82 0.00 0.00 66.70 66.62 1n4a h VAL 5053Cb 0.00 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1n4a h VAL 5053CO -0.02 0.36 -0.24 0.00 0.02 0.00 0.00 177.57 177.69 1n4a h ALA 5054N 1.07 1.36 0.00 1.67 0.00 -0.89 -2.39 119.26 120.09 1n4a h ALA 5054Ca 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1n4a h ALA 5054Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1n4a h ALA 5054CO 0.00 0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.97 1n4a n LEU 5055N -4.18 0.00 -3.91 0.00 4.77 -0.37 -4.91 117.00 108.41 1n4a n LEU 5055Ca -0.01 0.34 -0.36 0.00 -0.03 0.00 0.00 56.01 55.95 1n4a n LEU 5055Cb 0.35 -0.34 0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1n4a n LEU 5055CO 0.39 -0.18 -0.16 0.29 -1.33 0.00 0.00 177.39 176.40 1n4a n LYS 5056N -1.34 -1.23 -2.32 3.23 5.02 -0.90 -4.93 118.16 115.69 1n4a n LYS 5056Ca 0.06 0.29 -0.36 0.00 -2.02 0.00 0.00 58.31 56.28 1n4a n LYS 5056Cb 0.13 -3.62 -0.01 0.00 -0.02 0.00 0.00 35.03 31.50 1n4a n LYS 5056CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1n4a s PRO 5057N -6.67 3.68 0.04 1.97 0.04 -1.26 -4.83 135.00 127.97 1n4a s PRO 5057Ca 0.36 1.65 0.21 0.00 0.04 0.00 0.00 61.00 63.26 1n4a s PRO 5057Cb -0.16 -2.26 -0.18 0.00 0.04 0.00 0.00 34.50 31.93 1n4a s PRO 5057CO 0.91 -0.59 0.67 -0.25 0.04 0.00 0.00 177.00 177.79 1n4a n ASP 5058N -0.74 0.44 -3.68 6.66 8.00 0.17 -4.80 116.55 122.60 1n4a n ASP 5058Ca 0.09 0.18 -0.10 0.00 0.71 0.00 0.00 54.79 55.66 1n4a n ASP 5058Cb 0.50 1.02 -0.09 0.00 -0.02 0.00 0.00 41.12 42.53 1n4a n ASP 5058CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1n4a s LEU 5059N -5.16 -0.37 -0.17 0.64 2.96 -0.97 -4.34 118.68 111.27 1n4a s LEU 5059Ca -0.05 1.15 -0.02 0.00 -0.22 0.00 0.00 54.13 54.99 1n4a s LEU 5059Cb 0.11 1.83 -0.01 0.00 0.50 0.00 0.00 46.19 48.61 1n4a s LEU 5059CO 0.84 -0.21 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.89 1n4a s VAL 5060N 1.18 3.27 -0.52 1.68 1.01 -0.22 -0.92 120.40 125.88 1n4a s VAL 5060Ca -0.07 -0.56 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 1n4a s VAL 5060Cb -0.06 -2.43 0.09 0.00 0.00 0.00 0.00 36.38 33.97 1n4a s VAL 5060CO -0.11 0.48 0.54 -0.63 0.00 0.00 0.00 175.10 175.38 1n4a s ILE 5061N 0.85 5.05 0.37 2.22 1.01 0.20 -4.31 121.20 126.60 1n4a s ILE 5061Ca -0.02 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.63 1n4a s ILE 5061Cb -0.15 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 38.00 1n4a s ILE 5061CO 0.01 -0.82 0.57 0.00 0.00 0.00 0.00 174.94 174.70 1n4a s ALA 5062N 2.10 3.75 -0.30 9.38 0.00 -1.26 -1.36 121.76 134.07 1n4a s ALA 5062Ca 0.08 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 1n4a s ALA 5062Cb -0.24 -2.08 0.05 0.00 0.00 0.00 0.00 23.12 20.84 1n4a s ALA 5062CO 0.07 -0.11 0.01 -0.46 0.00 0.00 0.00 175.76 175.27 1n4a s TRP 5063N -2.36 3.26 0.07 0.00 -0.00 -1.26 -0.32 118.94 118.34 1n4a s TRP 5063Ca 0.42 -1.84 -0.31 0.00 -0.00 0.00 0.00 56.10 54.38 1n4a s TRP 5063Cb -0.10 -2.12 -0.08 0.00 -0.00 0.00 0.00 33.47 31.17 1n4a s TRP 5063CO 0.36 -0.80 1.62 0.50 -0.00 0.00 0.00 176.95 178.63 1n4a s ARG 5064N 1.26 4.21 0.00 5.86 3.52 -0.19 -0.40 118.95 133.21 1n4a s ARG 5064Ca -0.05 2.30 0.00 0.00 -0.13 0.00 0.00 55.73 57.85 1n4a s ARG 5064Cb -0.20 -3.54 0.00 0.00 -1.56 0.00 0.00 34.95 29.65 1n4a s ARG 5064CO -0.01 -0.70 0.00 0.41 -0.81 0.00 0.00 175.30 174.19 1n4a n GLY 5065N 3.93 3.14 0.09 8.12 0.00 -1.26 -4.78 105.19 114.44 1n4a n GLY 5065Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 1n4a n GLY 5065CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n4a n GLY 5066N -1.87 -0.85 3.87 -0.02 0.00 -0.54 -4.95 105.19 100.83 1n4a n GLY 5066Ca 0.00 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1n4a n GLY 5066CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n4a s ASN 5067N -6.36 6.62 -0.09 1.61 0.01 0.46 -5.03 114.94 112.15 1n4a s ASN 5067Ca -0.23 1.10 -0.30 0.00 -0.71 0.00 0.00 52.86 52.71 1n4a s ASN 5067Cb 0.05 -2.30 -0.03 0.00 0.41 0.00 0.00 41.25 39.37 1n4a s ASN 5067CO 0.41 -0.25 1.38 0.00 -1.51 0.00 0.00 177.10 177.13 1n4a s ALA 5068N -2.10 3.62 0.17 0.60 0.00 -1.26 -4.85 121.76 117.93 1n4a s ALA 5068Ca 0.51 0.67 -0.16 0.00 0.00 0.00 0.00 51.96 52.98 1n4a s ALA 5068Cb -0.10 -3.63 0.11 0.00 0.00 0.00 0.00 23.12 19.49 1n4a s ALA 5068CO 0.24 -1.13 1.70 0.93 0.00 0.00 0.00 175.76 177.50 1n4a h GLU 5069N 8.36 0.11 -0.94 0.00 4.39 -1.96 -1.97 114.58 122.57 1n4a h GLU 5069Ca -0.33 -0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.50 1n4a h GLU 5069Cb 1.14 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.68 1n4a h GLU 5069CO 0.94 0.07 0.55 -0.09 -1.16 0.00 0.00 179.01 179.33 1n4a h ARG 5070N 0.11 0.80 0.07 2.33 2.43 -1.99 0.25 114.38 118.38 1n4a h ARG 5070Ca 0.20 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1n4a h ARG 5070Cb 0.28 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1n4a h ARG 5070CO -0.33 0.53 -0.04 1.96 -1.51 0.00 0.00 179.97 180.59 1n4a h GLN 5071N 0.82 -0.10 -0.72 0.20 4.20 -1.80 -3.21 115.11 114.50 1n4a h GLN 5071Ca 0.49 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 59.14 1n4a h GLN 5071Cb 0.59 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 1n4a h GLN 5071CO -0.31 0.37 0.19 0.28 -0.67 0.00 0.00 178.83 178.69 1n4a h VAL 5072N -0.61 1.26 -0.03 -0.54 2.07 -1.03 -2.70 116.25 114.67 1n4a h VAL 5072Ca -0.01 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.56 1n4a h VAL 5072Cb 0.51 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1n4a h VAL 5072CO 0.02 0.37 0.04 0.44 0.02 0.00 0.00 177.57 178.46 1n4a h ASP 5073N 1.09 0.00 0.01 0.57 3.32 -0.59 -0.48 116.42 120.34 1n4a h ASP 5073Ca 0.23 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 1n4a h ASP 5073Cb 0.35 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1n4a h ASP 5073CO -0.00 0.00 -0.18 1.56 -1.72 0.00 0.00 179.24 178.90 1n4a h GLN 5074N 0.00 0.32 -0.74 3.56 4.20 -1.48 -2.53 115.11 118.45 1n4a h GLN 5074Ca 0.01 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 1n4a h GLN 5074Cb 0.10 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1n4a h GLN 5074CO -0.00 0.50 0.36 -0.07 -0.67 0.00 0.00 178.83 178.95 1n4a h LEU 5075N 0.30 0.96 -1.40 1.46 3.38 -1.20 -2.32 115.31 116.49 1n4a h LEU 5075Ca 0.05 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1n4a h LEU 5075Cb 0.49 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1n4a h LEU 5075CO 0.03 0.82 0.41 0.00 0.09 0.00 0.00 178.44 179.79 1n4a h ALA 5076N 1.18 1.56 -0.21 1.53 0.00 -1.50 0.57 119.26 122.39 1n4a h ALA 5076Ca 0.25 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1n4a h ALA 5076Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1n4a h ALA 5076CO -0.03 0.41 -0.06 1.03 0.00 0.00 0.00 179.25 180.59 1n4a h SER 5077N 0.83 0.30 -0.39 0.00 0.87 -1.24 -2.19 113.55 111.73 1n4a h SER 5077Ca 0.23 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1n4a h SER 5077Cb -0.09 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 1n4a h SER 5077CO -0.05 0.41 0.00 0.18 -0.53 0.00 0.00 176.83 176.84 1n4a n LEU 5078N -4.30 3.18 -0.46 2.23 4.77 0.09 -4.91 117.00 117.60 1n4a n LEU 5078Ca -0.00 -1.60 -0.06 0.00 -0.03 0.00 0.00 56.01 54.32 1n4a n LEU 5078Cb 0.24 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 1n4a n LEU 5078CO 0.38 0.53 -0.06 0.61 -1.33 0.00 0.00 177.39 177.52 1n4a n GLY 5079N 0.76 0.82 3.67 -0.72 0.00 -0.82 -5.00 105.19 103.88 1n4a n GLY 5079Ca 0.16 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 1n4a n GLY 5079CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n4a s ILE 5080N -2.10 5.17 0.15 -0.61 1.01 -0.59 -5.00 121.20 119.22 1n4a s ILE 5080Ca 0.00 0.79 -0.30 0.00 0.00 0.00 0.00 60.65 61.13 1n4a s ILE 5080Cb 0.00 -3.77 -0.08 0.00 0.01 0.00 0.00 42.46 38.62 1n4a s ILE 5080CO 0.00 0.23 1.31 -0.54 0.00 0.00 0.00 174.94 175.94 1n4a s LYS 5081N 1.42 4.38 0.00 2.79 1.02 -1.26 -3.92 119.74 124.17 1n4a s LYS 5081Ca 0.21 2.01 0.00 0.00 0.02 0.00 0.00 55.97 58.20 1n4a s LYS 5081Cb -0.15 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 33.92 1n4a s LYS 5081CO 0.09 -0.30 0.00 0.28 -0.92 0.00 0.00 175.35 174.50 1n4a n VAL 5082N 3.22 0.00 -3.65 3.17 0.31 -1.26 -1.05 118.33 119.06 1n4a n VAL 5082Ca 0.08 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.40 1n4a n VAL 5082Cb 0.43 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.32 1n4a n VAL 5082CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 1n4a s TRP 5084N 0.57 -1.32 -0.12 3.52 0.52 -1.26 -4.95 118.94 115.90 1n4a s TRP 5084Ca 0.00 2.29 -0.04 0.00 0.02 0.00 0.00 56.10 58.37 1n4a s TRP 5084Cb 0.00 0.78 -0.03 0.00 -1.15 0.00 0.00 33.47 33.06 1n4a s TRP 5084CO 0.00 -0.66 0.01 0.08 0.02 0.00 0.00 176.95 176.40 1n4a s VAL 5085N 2.88 4.38 -0.40 4.03 1.01 0.57 -4.90 120.40 127.96 1n4a s VAL 5085Ca -0.06 -0.20 0.10 0.00 0.00 0.00 0.00 61.98 61.82 1n4a s VAL 5085Cb -0.12 -2.89 0.35 0.00 0.00 0.00 0.00 36.38 33.72 1n4a s VAL 5085CO -0.19 0.55 0.95 -0.67 0.00 0.00 0.00 175.10 175.75 1n4a n ASP 5086N 2.76 -0.55 -4.65 3.32 2.03 -1.26 -1.02 116.55 117.17 1n4a n ASP 5086Ca -0.18 -3.20 -0.43 0.00 0.52 0.00 0.00 54.79 51.51 1n4a n ASP 5086Cb 0.53 0.50 -0.03 0.00 -0.72 0.00 0.00 41.12 41.41 1n4a n ASP 5086CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1n4a s ALA 5087N -1.25 3.55 -0.08 -1.67 0.00 -1.26 -4.85 121.76 116.20 1n4a s ALA 5087Ca 0.30 0.76 0.05 0.00 0.00 0.00 0.00 51.96 53.07 1n4a s ALA 5087Cb 0.34 -3.75 0.09 0.00 0.00 0.00 0.00 23.12 19.81 1n4a s ALA 5087CO -0.06 -1.47 1.06 0.25 0.00 0.00 0.00 175.76 175.53 1n4a n THR 5088N 5.66 1.23 -3.60 0.00 -2.24 -1.26 -4.44 114.28 109.63 1n4a n THR 5088Ca 0.17 -1.31 -0.12 0.00 -2.27 0.00 0.00 64.05 60.52 1n4a n THR 5088Cb 0.44 0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 68.94 1n4a n THR 5088CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1n4a s SER 5089N -1.45 -0.33 0.27 3.42 1.04 -1.26 -2.79 113.70 112.60 1n4a s SER 5089Ca 0.09 -0.12 -0.04 0.00 0.48 0.00 0.00 55.95 56.37 1n4a s SER 5089Cb 0.08 0.49 0.35 0.00 0.10 0.00 0.00 66.02 67.03 1n4a s SER 5089CO 0.02 -0.81 1.94 0.40 0.98 0.00 0.00 173.24 175.77 1n4a h ILE 5090N 2.51 1.24 -0.69 -1.02 1.08 -1.95 -2.05 117.51 116.61 1n4a h ILE 5090Ca -0.33 -0.46 -0.01 0.00 -0.39 0.00 0.00 64.86 63.67 1n4a h ILE 5090Cb 1.25 -0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.89 1n4a h ILE 5090CO 0.44 0.23 0.39 -0.33 -0.69 0.00 0.00 178.15 178.19 1n4a h GLU 5091N 1.22 0.95 0.00 2.37 3.07 -1.98 -1.44 114.58 118.78 1n4a h GLU 5091Ca 0.33 -0.10 -0.12 0.00 -0.50 0.00 0.00 59.36 58.97 1n4a h GLU 5091Cb -0.11 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.58 1n4a h GLU 5091CO -0.07 0.69 -0.57 1.96 -1.40 0.00 0.00 179.01 179.62 1n4a h GLN 5092N 0.96 0.00 -0.15 2.33 4.20 -1.79 -0.71 115.11 119.96 1n4a h GLN 5092Ca 0.25 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.91 1n4a h GLN 5092Cb 0.01 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1n4a h GLN 5092CO -0.04 0.57 -0.08 0.82 -0.67 0.00 0.00 178.83 179.43 1n4a h ILE 5093N 0.00 1.32 -0.78 2.54 2.04 -0.99 -0.12 117.51 121.52 1n4a h ILE 5093Ca -0.01 -1.13 0.04 0.00 1.00 0.00 0.00 64.86 64.76 1n4a h ILE 5093Cb 1.02 1.75 -0.05 0.00 -0.74 0.00 0.00 36.82 38.80 1n4a h ILE 5093CO 0.07 0.33 0.49 0.00 0.00 0.00 0.00 178.15 179.05 1n4a h ALA 5094N 0.66 1.03 -0.72 1.87 0.00 -1.12 -1.69 119.26 119.30 1n4a h ALA 5094Ca 0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1n4a h ALA 5094Cb 0.55 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1n4a h ALA 5094CO 0.02 0.29 0.20 -0.97 0.00 0.00 0.00 179.25 178.79 1n4a h ASN 5095N 0.95 1.06 -0.58 0.00 -0.73 -0.96 -2.18 115.58 113.15 1n4a h ASN 5095Ca 0.32 -0.21 -0.06 0.00 1.87 0.00 0.00 56.30 58.22 1n4a h ASN 5095Cb 0.04 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.32 1n4a h ASN 5095CO -0.12 1.00 0.16 0.00 -0.37 0.00 0.00 177.43 178.10 1n4a h ALA 5096N 1.13 1.12 -0.73 1.57 0.00 -0.36 -1.10 119.26 120.89 1n4a h ALA 5096Ca 0.23 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1n4a h ALA 5096Cb 0.34 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1n4a h ALA 5096CO -0.00 0.59 0.30 -0.07 0.00 0.00 0.00 179.25 180.07 1n4a h LEU 5097N 0.92 1.00 -0.94 0.00 3.38 -0.96 -1.40 115.31 117.31 1n4a h LEU 5097Ca 0.20 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1n4a h LEU 5097Cb 0.31 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1n4a h LEU 5097CO -0.00 0.89 -0.15 0.03 0.09 0.00 0.00 178.44 179.30 1n4a h ARG 5098N 1.04 0.61 0.00 1.13 3.08 -0.93 -2.27 114.38 117.03 1n4a h ARG 5098Ca 0.24 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1n4a h ARG 5098Cb 0.20 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1n4a h ARG 5098CO -0.02 0.73 -0.21 1.96 -1.07 0.00 0.00 179.97 181.36 1n4a h GLN 5099N 0.55 0.00 0.00 0.04 1.08 -0.68 -2.74 115.11 113.37 1n4a h GLN 5099Ca 0.09 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.21 1n4a h GLN 5099Cb 0.57 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 1n4a h GLN 5099CO 0.04 0.21 -0.53 -0.07 -0.95 0.00 0.00 178.83 177.53 1n4a h LEU 5100N 0.00 0.00 -0.79 1.46 3.38 -0.71 -3.39 115.31 115.26 1n4a h LEU 5100Ca -0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.12 1n4a h LEU 5100Cb 0.69 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.29 1n4a h LEU 5100CO 0.03 0.37 -0.21 0.00 0.09 0.00 0.00 178.44 178.71 1n4a h ALA 5101N 1.63 0.49 0.00 1.53 0.00 -1.13 0.10 119.26 121.89 1n4a h ALA 5101Ca -0.02 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1n4a h ALA 5101Cb 1.30 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1n4a h ALA 5101CO 0.04 -0.42 0.00 -1.35 0.00 0.00 0.00 179.25 177.52 1n4a h PRO 5102N -0.01 0.00 -0.14 0.00 0.11 -1.78 -1.20 132.00 128.99 1n4a h PRO 5102Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1n4a h PRO 5102Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1n4a h PRO 5102CO -0.82 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 177.88 1n4a n TRP 5103N -2.97 0.15 -4.00 0.65 7.02 0.34 -4.98 117.44 113.65 1n4a n TRP 5103Ca -0.03 -0.08 -0.31 0.00 -1.02 0.00 0.00 57.50 56.07 1n4a n TRP 5103Cb 0.08 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 28.91 1n4a n TRP 5103CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1n4a s SER 5104N -1.83 5.89 0.00 -0.99 0.15 -0.45 -4.43 113.70 112.04 1n4a s SER 5104Ca 0.33 0.12 0.23 0.00 0.70 0.00 0.00 55.95 57.34 1n4a s SER 5104Cb 0.21 -1.70 1.23 0.00 -1.71 0.00 0.00 66.02 64.05 1n4a s SER 5104CO 0.31 0.19 1.81 -0.81 1.20 0.00 0.00 173.24 175.93 1n4a n PRO 5105N 0.49 1.21 -2.94 5.44 -0.04 -1.26 -4.04 135.00 133.85 1n4a n PRO 5105Ca -0.08 -0.31 -0.15 0.00 -0.04 0.00 0.00 63.50 62.93 1n4a n PRO 5105Cb 0.51 -1.38 -0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1n4a n PRO 5105CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1n4a n GLN 5106N -0.53 0.74 0.27 0.54 7.27 -1.26 -5.01 117.38 119.40 1n4a n GLN 5106Ca 0.17 -2.37 0.16 0.00 0.07 0.00 0.00 57.00 55.03 1n4a n GLN 5106Cb 0.16 -1.36 0.88 0.00 2.41 0.00 0.00 30.24 32.33 1n4a n GLN 5106CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1n4a h PRO 5107N 4.03 0.00 -0.18 3.69 0.13 -1.76 -1.94 132.00 135.97 1n4a h PRO 5107Ca -0.05 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.01 1n4a h PRO 5107Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 1n4a h PRO 5107CO 0.38 0.00 -0.19 -0.44 -0.23 0.00 0.00 178.00 177.52 1n4a h ASP 5108N 0.00 0.29 -0.55 1.44 3.32 -1.92 -1.72 116.42 117.29 1n4a h ASP 5108Ca 0.03 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 1n4a h ASP 5108Cb 0.15 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1n4a h ASP 5108CO -0.00 0.50 0.12 0.50 -1.72 0.00 0.00 179.24 178.64 1n4a h LYS 5109N 0.28 0.88 -0.24 3.56 3.64 -1.63 0.47 116.57 123.53 1n4a h LYS 5109Ca 0.05 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1n4a h LYS 5109Cb 0.50 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1n4a h LYS 5109CO 0.03 0.83 0.10 0.00 -2.27 0.00 0.00 179.45 178.14 1n4a h ALA 5110N 1.01 0.31 -0.74 5.00 0.00 -1.50 -0.23 119.26 123.10 1n4a h ALA 5110Ca 0.17 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1n4a h ALA 5110Cb 0.36 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1n4a h ALA 5110CO 0.00 -0.10 0.24 0.93 0.00 0.00 0.00 179.25 180.33 1n4a h GLU 5111N 0.23 1.14 -0.09 0.00 4.39 -1.12 -1.56 114.58 117.58 1n4a h GLU 5111Ca 0.08 -0.24 -0.15 0.00 0.34 0.00 0.00 59.36 59.39 1n4a h GLU 5111Cb 0.18 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1n4a h GLU 5111CO -0.01 0.97 -0.59 1.96 -1.16 0.00 0.00 179.01 180.18 1n4a h GLN 5112N 1.09 0.31 -0.39 2.33 4.20 -0.78 -1.73 115.11 120.14 1n4a h GLN 5112Ca 0.24 -0.21 -0.10 0.00 0.06 0.00 0.00 58.65 58.64 1n4a h GLN 5112Cb 0.30 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1n4a h GLN 5112CO -0.01 0.81 -0.18 0.00 -0.67 0.00 0.00 178.83 178.78 1n4a h ALA 5113N 1.14 0.95 -0.16 3.87 0.00 -0.78 -0.69 119.26 123.59 1n4a h ALA 5113Ca -0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1n4a h ALA 5113Cb 1.10 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1n4a h ALA 5113CO 0.10 0.61 -0.10 0.00 0.00 0.00 0.00 179.25 179.85 1n4a h ALA 5114N 1.14 0.23 -0.69 0.00 0.00 -1.04 -2.49 119.26 116.41 1n4a h ALA 5114Ca 0.10 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1n4a h ALA 5114Cb 0.67 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1n4a h ALA 5114CO 0.05 0.07 0.28 0.37 0.00 0.00 0.00 179.25 180.02 1n4a h GLN 5115N 0.02 1.03 -0.56 0.00 5.75 -1.20 -2.33 115.11 117.81 1n4a h GLN 5115Ca 0.03 -0.18 -0.11 0.00 -0.15 0.00 0.00 58.65 58.24 1n4a h GLN 5115Cb 0.60 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 1n4a h GLN 5115CO 0.03 0.85 -0.09 0.66 -2.65 0.00 0.00 178.83 177.63 1n4a h SER 5116N 0.98 1.05 -0.71 -0.69 4.64 -1.14 0.97 113.55 118.65 1n4a h SER 5116Ca 0.23 -0.34 -0.02 0.00 -0.47 0.00 0.00 61.79 61.19 1n4a h SER 5116Cb 0.20 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 1n4a h SER 5116CO -0.02 1.14 0.35 0.25 -0.87 0.00 0.00 176.83 177.69 1n4a h LEU 5117N 0.94 0.92 -0.56 5.97 5.85 -1.35 0.91 115.31 127.98 1n4a h LEU 5117Ca 0.15 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1n4a h LEU 5117Cb 0.66 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1n4a h LEU 5117CO 0.05 0.78 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.85 1n4a h LEU 5118N 0.98 0.98 -0.04 2.25 3.38 -1.14 -0.86 115.31 120.88 1n4a h LEU 5118Ca 0.24 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1n4a h LEU 5118Cb 0.10 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1n4a h LEU 5118CO -0.03 1.05 0.02 0.44 0.09 0.00 0.00 178.44 180.01 1n4a h ASP 5119N 0.88 0.04 -0.26 -0.43 3.32 -0.38 -0.27 116.42 119.33 1n4a h ASP 5119Ca 0.16 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 1n4a h ASP 5119Cb 0.55 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1n4a h ASP 5119CO 0.03 0.10 -0.12 1.56 -1.72 0.00 0.00 179.24 179.09 1n4a h GLN 5120N -0.01 0.67 -0.05 3.56 4.20 -0.73 -1.49 115.11 121.25 1n4a h GLN 5120Ca 0.01 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 1n4a h GLN 5120Cb 0.06 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1n4a h GLN 5120CO -0.00 0.77 0.01 -0.92 -0.67 0.00 0.00 178.83 178.01 1n4a h TYR 5121N 0.61 0.09 -0.79 2.96 3.20 -0.99 -0.53 116.97 121.52 1n4a h TYR 5121Ca 0.11 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.01 1n4a h TYR 5121Cb 0.56 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.75 1n4a h TYR 5121CO 0.02 0.34 0.49 0.00 -1.64 0.00 0.00 178.16 177.37 1n4a h ALA 5122N 0.75 1.06 -0.33 1.82 0.00 -0.88 -1.72 119.26 119.94 1n4a h ALA 5122Ca 0.01 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1n4a h ALA 5122Cb 0.29 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1n4a h ALA 5122CO 0.00 0.27 0.21 0.37 0.00 0.00 0.00 179.25 180.09 1n4a h GLN 5123N 0.93 0.41 -0.38 0.00 5.75 -1.11 -2.33 115.11 118.37 1n4a h GLN 5123Ca 0.33 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.83 1n4a h GLN 5123Cb 0.08 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 1n4a h GLN 5123CO -0.14 0.27 0.20 1.25 -2.65 0.00 0.00 178.83 177.76 1n4a h LEU 5124N 0.42 0.31 -1.06 -2.39 5.85 -0.55 -2.25 115.31 115.63 1n4a h LEU 5124Ca 0.13 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1n4a h LEU 5124Cb -0.02 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 40.90 1n4a h LEU 5124CO -0.05 0.22 0.63 0.11 -0.34 0.00 0.00 178.44 179.01 1n4a h LYS 5125N 0.41 1.08 -0.19 1.25 1.57 -1.07 -1.40 116.57 118.23 1n4a h LYS 5125Ca 0.16 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1n4a h LYS 5125Cb 0.05 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1n4a h LYS 5125CO -0.10 0.71 -0.27 0.00 -0.57 0.00 0.00 179.45 179.23 1n4a h ALA 5126N 1.48 1.21 0.00 3.86 0.00 -0.88 0.16 119.26 125.09 1n4a h ALA 5126Ca 0.42 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1n4a h ALA 5126Cb 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1n4a h ALA 5126CO -0.17 0.52 -0.09 0.37 0.00 0.00 0.00 179.25 179.88 1n4a h GLN 5127N 0.31 0.00 0.00 0.00 4.15 -0.76 -3.37 115.11 115.44 1n4a h GLN 5127Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1n4a h GLN 5127Cb 0.64 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.33 1n4a h GLN 5127CO 0.05 0.00 0.00 0.66 -1.93 0.00 0.00 178.83 177.61 1n4a n TYR 5128N -2.48 0.00 0.57 3.99 4.02 -0.76 -4.77 117.16 117.72 1n4a n TYR 5128Ca 0.05 -0.14 0.07 0.00 -0.01 0.00 0.00 57.90 57.87 1n4a n TYR 5128Cb 0.46 -0.01 0.33 0.00 -0.02 0.00 0.00 39.34 40.10 1n4a n TYR 5128CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n4a n ALA 5129N -0.14 1.72 -1.40 -0.72 0.00 0.55 -2.84 120.51 117.69 1n4a n ALA 5129Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.09 1n4a n ALA 5129Cb 0.35 -1.23 0.10 0.00 0.00 0.00 0.00 19.45 18.67 1n4a n ALA 5129CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1n4a n ASP 5130N -1.42 6.09 -4.43 0.00 3.85 -1.26 -4.97 116.55 114.41 1n4a n ASP 5130Ca 0.05 -3.75 -0.33 0.00 -0.71 0.00 0.00 54.79 50.05 1n4a n ASP 5130Cb 0.15 -0.85 -0.14 0.00 -1.35 0.00 0.00 41.12 38.94 1n4a n ASP 5130CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1n4a s LYS 5131N -3.64 2.96 0.31 0.11 -0.14 -1.13 -5.10 119.74 113.10 1n4a s LYS 5131Ca 0.60 -0.68 -0.29 0.00 -1.36 0.00 0.00 55.97 54.24 1n4a s LYS 5131Cb 0.48 -2.52 -0.10 0.00 -1.68 0.00 0.00 37.83 34.01 1n4a s LYS 5131CO 0.02 0.43 1.42 -2.14 -0.76 0.00 0.00 175.35 174.32 1n4a s PRO 5132N -0.21 4.25 0.13 -1.68 0.02 -1.26 -4.82 135.00 131.43 1n4a s PRO 5132Ca 0.01 2.35 -0.31 0.00 0.02 0.00 0.00 61.00 63.07 1n4a s PRO 5132Cb -0.13 -3.06 -0.10 0.00 0.02 0.00 0.00 34.50 31.23 1n4a s PRO 5132CO 0.03 -0.38 1.65 -1.59 -0.33 0.00 0.00 177.00 176.38 1n4a s LYS 5133N -1.21 4.19 -0.12 5.54 -2.85 -1.26 -4.82 119.74 119.20 1n4a s LYS 5133Ca 0.55 2.41 0.02 0.00 -1.00 0.00 0.00 55.97 57.95 1n4a s LYS 5133Cb -0.43 -3.36 0.01 0.00 -2.06 0.00 0.00 37.83 31.99 1n4a s LYS 5133CO 0.51 -0.70 -0.20 0.15 0.10 0.00 0.00 175.35 175.21 1n4a s LYS 5134N 1.89 2.78 0.08 1.78 1.02 -0.57 -4.93 119.74 121.79 1n4a s LYS 5134Ca 0.73 -0.77 -0.31 0.00 0.02 0.00 0.00 55.97 55.65 1n4a s LYS 5134Cb -0.43 -2.25 -0.09 0.00 -0.52 0.00 0.00 37.83 34.54 1n4a s LYS 5134CO 0.32 -0.00 1.66 1.03 -0.92 0.00 0.00 175.35 177.44 1n4a s ARG 5135N 0.80 4.20 -0.01 1.68 0.52 -1.26 -0.32 118.95 124.55 1n4a s ARG 5135Ca -0.09 2.35 0.04 0.00 -0.52 0.00 0.00 55.73 57.52 1n4a s ARG 5135Cb -0.16 -3.55 -0.01 0.00 0.52 0.00 0.00 34.95 31.76 1n4a s ARG 5135CO -0.00 -0.73 -0.14 0.08 0.02 0.00 0.00 175.30 174.53 1n4a s VAL 5136N 2.47 1.08 -0.27 3.52 1.01 0.78 -0.25 120.40 128.73 1n4a s VAL 5136Ca 0.74 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 1n4a s VAL 5136Cb -0.41 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 1n4a s VAL 5136CO 0.32 0.31 0.11 0.12 0.00 0.00 0.00 175.10 175.96 1n4a s PHE 5137N -0.24 3.13 -0.69 5.22 5.36 -0.50 -2.00 117.98 128.24 1n4a s PHE 5137Ca 0.04 -0.44 -0.21 0.00 -0.96 0.00 0.00 56.93 55.36 1n4a s PHE 5137Cb -0.06 -2.29 0.08 0.00 -0.34 0.00 0.00 43.02 40.42 1n4a s PHE 5137CO -0.00 -0.38 0.96 -0.51 -1.46 0.00 0.00 175.22 173.83 1n4a s LEU 5138N 1.62 4.63 -0.24 6.12 1.43 -1.26 -1.33 118.68 129.65 1n4a s LEU 5138Ca 0.06 -1.22 -0.17 0.00 -1.03 0.00 0.00 54.13 51.77 1n4a s LEU 5138Cb -0.16 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 1n4a s LEU 5138CO 0.05 -1.34 0.45 -1.58 0.23 0.00 0.00 176.35 174.16 1n4a s GLN 5139N 3.66 4.10 -0.36 1.70 0.74 -0.10 -4.34 119.66 125.06 1n4a s GLN 5139Ca 0.22 0.24 -0.01 0.00 0.05 0.00 0.00 55.36 55.86 1n4a s GLN 5139Cb -0.16 -3.61 0.09 0.00 1.10 0.00 0.00 33.01 30.43 1n4a s GLN 5139CO 0.06 -0.22 0.11 -0.06 -0.55 0.00 0.00 175.29 174.63 1n4a s PHE 5140N 1.90 3.52 0.00 1.67 0.40 0.37 -4.34 117.98 121.50 1n4a s PHE 5140Ca 0.20 -2.36 0.00 0.00 -0.60 0.00 0.00 56.93 54.16 1n4a s PHE 5140Cb -0.15 -2.82 0.00 0.00 0.51 0.00 0.00 43.02 40.56 1n4a s PHE 5140CO 0.09 -0.92 0.00 0.41 0.70 0.00 0.00 175.22 175.50 1n4a n GLY 5141N 4.54 -0.92 0.17 4.36 0.00 -1.26 -1.86 105.19 110.22 1n4a n GLY 5141Ca -0.05 -1.67 0.02 0.00 0.00 0.00 0.00 46.02 44.33 1n4a n GLY 5141CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1n4a n ILE 5142N -0.98 0.08 -3.82 -0.61 -5.35 -1.26 -4.57 119.36 102.85 1n4a n ILE 5142Ca 0.00 -0.54 -0.29 0.00 -0.27 0.00 0.00 62.75 61.65 1n4a n ILE 5142Cb 0.00 1.04 -0.16 0.00 -1.74 0.00 0.00 39.64 38.78 1n4a n ILE 5142CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1n4a s ASN 5143N -0.40 3.38 -0.03 7.28 6.03 -1.26 -4.09 114.94 125.84 1n4a s ASN 5143Ca 0.05 -1.03 0.15 0.00 -1.03 0.00 0.00 52.86 51.00 1n4a s ASN 5143Cb 0.04 -0.86 0.45 0.00 -3.03 0.00 0.00 41.25 37.85 1n4a s ASN 5143CO 0.05 -0.29 1.38 -2.65 -2.03 0.00 0.00 177.10 173.56 1n4a n PRO 5144N 4.88 2.96 0.00 3.55 -0.02 -1.26 -4.48 135.00 140.62 1n4a n PRO 5144Ca -0.10 -2.37 0.00 0.00 -2.02 0.00 0.00 63.50 59.02 1n4a n PRO 5144Cb 0.45 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 1n4a n PRO 5144CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1n4a n PRO 5145N 0.69 3.28 -4.42 0.52 -0.04 -1.17 -4.58 135.00 129.27 1n4a n PRO 5145Ca 0.17 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.40 1n4a n PRO 5145Cb 0.58 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.93 1n4a n PRO 5145CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1n4a s PHE 5146N 2.15 2.12 0.30 0.54 0.40 -0.78 -0.78 117.98 121.93 1n4a s PHE 5146Ca 0.00 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 55.92 1n4a s PHE 5146Cb 0.00 -0.96 0.00 0.00 0.51 0.00 0.00 43.02 42.57 1n4a s PHE 5146CO 0.00 0.57 0.40 -2.37 0.70 0.00 0.00 175.22 174.52 1n4a n THR 5147N -0.34 0.00 -4.43 0.64 5.66 -0.51 -0.48 114.28 114.82 1n4a n THR 5147Ca -0.08 -1.57 -0.30 0.00 -3.05 0.00 0.00 64.05 59.05 1n4a n THR 5147Cb 0.59 0.95 -0.12 0.00 -1.55 0.00 0.00 70.33 70.20 1n4a n THR 5147CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1n4a s SER 5148N -2.87 3.64 0.18 1.09 0.15 -1.26 -3.07 113.70 111.56 1n4a s SER 5148Ca 0.26 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1n4a s SER 5148Cb -0.01 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 1n4a s SER 5148CO 0.18 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.43 1n4a n GLY 5149N 1.02 0.22 0.25 9.45 0.00 -1.26 -4.57 105.19 110.30 1n4a n GLY 5149Ca -0.16 -1.81 0.14 0.00 0.00 0.00 0.00 46.02 44.19 1n4a n GLY 5149CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1n4a h LYS 5150N 0.00 0.00 -3.31 1.61 2.10 -1.57 -3.39 116.57 112.01 1n4a h LYS 5150Ca 0.00 0.00 -0.75 0.00 -2.00 0.00 0.00 60.65 57.90 1n4a h LYS 5150Cb 0.00 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 31.20 1n4a h LYS 5150CO 0.00 0.03 2.24 0.39 -2.00 0.00 0.00 179.45 180.11 1n4a n GLU 5151N -3.12 3.80 -3.54 0.07 -0.58 -1.26 -4.68 120.64 111.33 1n4a n GLU 5151Ca 0.02 -3.42 -0.12 0.00 -0.42 0.00 0.00 57.16 53.22 1n4a n GLU 5151Cb 0.41 -2.88 -0.04 0.00 -0.57 0.00 0.00 31.44 28.36 1n4a n GLU 5151CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1n4a s SER 5152N 0.91 -0.42 0.35 1.62 1.04 -1.26 -4.95 113.70 110.99 1n4a s SER 5152Ca 0.44 -0.02 0.13 0.00 0.48 0.00 0.00 55.95 56.98 1n4a s SER 5152Cb 0.12 0.52 0.65 0.00 0.10 0.00 0.00 66.02 67.42 1n4a s SER 5152CO -0.02 -0.84 1.77 -0.29 0.98 0.00 0.00 173.24 174.84 1n4a h ILE 5153N 2.41 1.25 -0.58 -1.02 2.10 -1.73 -2.50 117.51 117.44 1n4a h ILE 5153Ca -0.33 -1.48 -0.05 0.00 1.08 0.00 0.00 64.86 64.08 1n4a h ILE 5153Cb 1.26 1.81 -0.03 0.00 -1.09 0.00 0.00 36.82 38.77 1n4a h ILE 5153CO 0.42 0.42 0.15 1.56 -1.08 0.00 0.00 178.15 179.61 1n4a h GLN 5154N 0.00 0.90 -0.28 2.19 7.50 -1.87 -0.69 115.11 122.86 1n4a h GLN 5154Ca -0.00 -0.19 -0.08 0.00 0.50 0.00 0.00 58.65 58.87 1n4a h GLN 5154Cb 0.78 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 28.17 1n4a h GLN 5154CO 0.06 0.80 -0.15 -0.97 -1.50 0.00 0.00 178.83 177.06 1n4a h ASN 5155N 0.86 0.62 -0.73 1.46 -1.24 -1.75 -2.24 115.58 112.56 1n4a h ASN 5155Ca 0.19 -0.42 0.02 0.00 0.71 0.00 0.00 56.30 56.80 1n4a h ASN 5155Cb 0.30 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 39.14 1n4a h ASN 5155CO -0.00 0.90 0.48 -0.61 -1.29 0.00 0.00 177.43 176.91 1n4a h GLN 5156N 0.33 0.93 -0.84 6.67 4.15 -1.03 -1.53 115.11 123.80 1n4a h GLN 5156Ca 0.06 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1n4a h GLN 5156Cb 0.68 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 28.12 1n4a h GLN 5156CO 0.04 0.62 0.50 0.28 -1.93 0.00 0.00 178.83 178.34 1n4a h VAL 5157N 0.96 1.24 -0.23 2.39 2.07 -1.05 -1.16 116.25 120.46 1n4a h VAL 5157Ca 0.28 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1n4a h VAL 5157Cb -0.06 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1n4a h VAL 5157CO -0.08 0.25 0.11 0.25 0.02 0.00 0.00 177.57 178.12 1n4a h LEU 5158N 1.16 0.31 -1.29 2.57 5.85 -0.85 -2.28 115.31 120.77 1n4a h LEU 5158Ca 0.30 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1n4a h LEU 5158Cb -0.04 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1n4a h LEU 5158CO -0.06 0.36 0.01 -0.33 -0.34 0.00 0.00 178.44 178.08 1n4a h GLU 5159N 0.24 0.49 0.00 1.25 5.08 -1.04 0.11 114.58 120.71 1n4a h GLU 5159Ca 0.08 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1n4a h GLU 5159Cb 0.13 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1n4a h GLU 5159CO -0.01 0.51 -0.25 0.28 -1.00 0.00 0.00 179.01 178.54 1n4a h VAL 5160N 0.47 0.74 -0.54 3.13 2.07 -0.93 -2.40 116.25 118.78 1n4a h VAL 5160Ca 0.10 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1n4a h VAL 5160Cb 0.29 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1n4a h VAL 5160CO 0.01 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.84 1n4a n GLY 5162N 1.05 0.49 3.81 0.00 0.00 -0.90 -4.78 105.19 104.85 1n4a n GLY 5162Ca 0.21 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 1n4a n GLY 5162CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n4a s GLY 5163N -2.78 1.86 -0.21 -0.02 0.00 0.30 -1.51 107.32 104.96 1n4a s GLY 5163Ca 0.00 -1.10 -0.00 0.00 0.00 0.00 0.00 44.72 43.61 1n4a s GLY 5163CO 0.00 -1.10 -0.13 1.85 0.00 0.00 0.00 173.10 173.72 1n4a s GLU 5164N -2.81 3.00 -0.23 2.90 2.56 0.56 -3.56 118.70 121.12 1n4a s GLU 5164Ca 0.31 -0.85 -0.29 0.00 0.00 0.00 0.00 54.97 54.14 1n4a s GLU 5164Cb -0.11 -2.77 -0.02 0.00 2.00 0.00 0.00 34.13 33.23 1n4a s GLU 5164CO 0.23 -0.27 1.59 1.21 -0.56 0.00 0.00 175.26 177.47 1n4a s ASN 5165N 1.33 6.39 0.61 -1.70 3.84 -1.26 -0.16 114.94 124.00 1n4a s ASN 5165Ca 0.03 1.57 0.38 0.00 0.21 0.00 0.00 52.86 55.05 1n4a s ASN 5165Cb -0.14 -2.53 2.02 0.00 -0.55 0.00 0.00 41.25 40.04 1n4a s ASN 5165CO -0.09 -1.25 2.25 0.16 -2.79 0.00 0.00 177.10 175.38 1n4a h ILE 5166N 6.14 0.19 -0.42 -5.21 3.07 -1.78 -1.41 117.51 118.10 1n4a h ILE 5166Ca -0.33 -0.16 -0.13 0.00 1.55 0.00 0.00 64.86 65.79 1n4a h ILE 5166Cb 1.15 1.13 -0.08 0.00 -0.27 0.00 0.00 36.82 38.75 1n4a h ILE 5166CO 1.01 0.02 0.06 0.49 -1.05 0.00 0.00 178.15 178.67 1n4a n PHE 5167N -3.31 1.39 -0.31 0.16 3.01 -1.26 -4.72 117.46 112.41 1n4a n PHE 5167Ca -0.02 -1.25 0.14 0.00 1.01 0.00 0.00 57.45 57.33 1n4a n PHE 5167Cb 0.13 -0.48 0.38 0.00 -0.01 0.00 0.00 39.48 39.50 1n4a n PHE 5167CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1n4a h LYS 5168N 1.63 0.66 -0.31 -1.08 3.64 -1.50 -2.06 116.57 117.54 1n4a h LYS 5168Ca 0.16 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1n4a h LYS 5168Cb 1.76 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 1n4a h LYS 5168CO 0.42 0.43 0.00 -0.25 -2.27 0.00 0.00 179.45 177.79 1n4a n ASP 5169N -4.64 1.87 -4.68 4.20 8.00 -1.26 -1.87 116.55 118.17 1n4a n ASP 5169Ca 0.21 -1.92 -0.45 0.00 0.71 0.00 0.00 54.79 53.34 1n4a n ASP 5169Cb 0.57 -0.20 -0.04 0.00 -0.02 0.00 0.00 41.12 41.43 1n4a n ASP 5169CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1n4a n SER 5170N 0.50 3.65 0.16 -2.24 2.88 -0.78 -4.87 113.62 112.92 1n4a n SER 5170Ca 0.13 1.01 0.02 0.00 -1.33 0.00 0.00 58.87 58.70 1n4a n SER 5170Cb 0.31 -1.47 0.27 0.00 -0.75 0.00 0.00 64.21 62.57 1n4a n SER 5170CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1n4a h ARG 5171N 8.01 0.00 -5.58 -1.46 2.47 -1.92 -3.42 114.38 112.48 1n4a h ARG 5171Ca -0.46 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 57.66 1n4a h ARG 5171Cb 1.24 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.46 1n4a h ARG 5171CO 0.93 0.48 0.04 0.08 0.56 0.00 0.00 179.97 182.07 1n4a s VAL 5172N -3.71 5.06 0.11 2.04 1.01 -1.26 -5.04 120.40 118.62 1n4a s VAL 5172Ca -0.01 1.06 -0.31 0.00 0.00 0.00 0.00 61.98 62.73 1n4a s VAL 5172Cb 0.12 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 1n4a s VAL 5172CO 0.73 0.14 1.27 -2.16 0.00 0.00 0.00 175.10 175.07 1n4a s PRO 5173N 1.82 4.40 -1.14 2.72 0.04 -1.26 -3.65 135.00 137.94 1n4a s PRO 5173Ca 0.26 1.91 -0.12 0.00 0.04 0.00 0.00 61.00 63.09 1n4a s PRO 5173Cb -0.16 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.07 1n4a s PRO 5173CO 0.10 -0.28 0.82 0.91 0.04 0.00 0.00 177.00 178.59 1n4a n TRP 5174N 3.55 -2.11 -2.23 0.56 7.02 -1.25 -4.96 117.44 118.02 1n4a n TRP 5174Ca 0.09 0.67 -0.32 0.00 -1.02 0.00 0.00 57.50 56.91 1n4a n TRP 5174Cb 0.44 -3.88 -0.01 0.00 -2.42 0.00 0.00 31.31 25.44 1n4a n TRP 5174CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 1n4a s PRO 5175N -5.42 3.70 0.10 -0.99 0.04 -1.17 -4.71 135.00 126.54 1n4a s PRO 5175Ca 0.38 1.02 -0.24 0.00 0.04 0.00 0.00 61.00 62.20 1n4a s PRO 5175Cb -0.10 -2.10 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 1n4a s PRO 5175CO 0.81 -0.48 0.72 -1.14 0.04 0.00 0.00 177.00 176.94 1n4a s GLN 5176N -4.18 4.46 0.16 4.56 0.74 -1.26 -1.42 119.66 122.72 1n4a s GLN 5176Ca 0.60 1.02 0.06 0.00 0.05 0.00 0.00 55.36 57.09 1n4a s GLN 5176Cb -0.12 -3.30 -0.04 0.00 1.10 0.00 0.00 33.01 30.65 1n4a s GLN 5176CO 0.35 0.47 -0.12 0.14 -0.55 0.00 0.00 175.29 175.58 1n4a s VAL 5177N -0.70 1.39 0.47 1.34 -7.23 0.04 -4.96 120.40 110.76 1n4a s VAL 5177Ca 0.35 -2.07 0.07 0.00 -1.81 0.00 0.00 61.98 58.53 1n4a s VAL 5177Cb -0.21 -1.87 0.01 0.00 0.56 0.00 0.00 36.38 34.87 1n4a s VAL 5177CO 0.23 -0.65 0.45 -0.94 -0.31 0.00 0.00 175.10 173.89 1n4a s SER 5178N -3.12 4.97 0.14 4.85 1.04 -1.26 -3.04 113.70 117.29 1n4a s SER 5178Ca 0.18 -0.88 -0.13 0.00 0.48 0.00 0.00 55.95 55.59 1n4a s SER 5178Cb 0.00 -0.18 0.01 0.00 0.10 0.00 0.00 66.02 65.96 1n4a s SER 5178CO 0.03 -0.88 1.60 0.03 0.98 0.00 0.00 173.24 175.00 1n4a h ARG 5179N 0.81 0.84 -0.90 4.02 3.08 -2.00 -2.89 114.38 117.34 1n4a h ARG 5179Ca -0.38 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.39 1n4a h ARG 5179Cb 1.28 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.21 1n4a h ARG 5179CO 0.54 0.88 0.51 1.05 -1.07 0.00 0.00 179.97 181.88 1n4a h GLU 5180N 0.69 1.24 -0.86 0.04 4.11 -1.99 -0.49 114.58 117.33 1n4a h GLU 5180Ca 0.14 -0.13 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1n4a h GLU 5180Cb 0.50 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1n4a h GLU 5180CO 0.02 0.89 0.44 1.96 0.07 0.00 0.00 179.01 182.40 1n4a h GLN 5181N 1.25 1.21 -0.15 1.06 4.20 -1.94 -0.48 115.11 120.26 1n4a h GLN 5181Ca 0.32 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 1n4a h GLN 5181Cb -0.00 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.55 1n4a h GLN 5181CO -0.05 0.91 -0.16 0.28 -0.67 0.00 0.00 178.83 179.14 1n4a h VAL 5182N 1.21 1.34 -0.55 -0.54 2.07 -1.24 -3.15 116.25 115.39 1n4a h VAL 5182Ca 0.30 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 1n4a h VAL 5182Cb 0.07 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1n4a h VAL 5182CO -0.04 0.39 0.17 -0.07 0.02 0.00 0.00 177.57 178.04 1n4a h LEU 5183N 0.01 0.75 -2.24 2.57 3.38 -0.89 -2.10 115.31 116.79 1n4a h LEU 5183Ca 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1n4a h LEU 5183Cb 0.69 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1n4a h LEU 5183CO 0.04 0.71 -0.05 0.00 0.09 0.00 0.00 178.44 179.23 1n4a h ALA 5184N 1.39 1.31 -0.36 1.53 0.00 -1.08 -2.17 119.26 119.88 1n4a h ALA 5184Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1n4a h ALA 5184Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1n4a h ALA 5184CO -0.01 0.07 0.00 0.54 0.00 0.00 0.00 179.25 179.85 1n4a n ARG 5185N -3.60 2.48 -3.86 0.00 1.74 -0.80 -5.03 116.66 107.58 1n4a n ARG 5185Ca -0.02 -2.25 -0.29 0.00 -0.77 0.00 0.00 57.85 54.51 1n4a n ARG 5185Cb 0.16 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1n4a n ARG 5185CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1n4a n SER 5186N 1.47 -4.62 -4.77 0.55 7.64 -0.82 -4.92 113.62 108.15 1n4a n SER 5186Ca 0.19 -1.05 -0.38 0.00 1.01 0.00 0.00 58.87 58.64 1n4a n SER 5186Cb 0.60 -1.58 -0.01 0.00 -1.01 0.00 0.00 64.21 62.21 1n4a n SER 5186CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1n4a s PRO 5187N -5.47 3.82 0.02 1.43 0.04 -1.26 -4.90 135.00 128.68 1n4a s PRO 5187Ca 0.10 1.86 0.23 0.00 0.04 0.00 0.00 61.00 63.22 1n4a s PRO 5187Cb -0.05 -2.50 0.09 0.00 0.04 0.00 0.00 34.50 32.07 1n4a s PRO 5187CO 0.91 -0.52 1.09 1.04 0.04 0.00 0.00 177.00 179.56 1n4a n GLN 5188N -0.31 0.11 -3.49 4.56 6.02 0.65 -4.96 117.38 119.96 1n4a n GLN 5188Ca 0.06 -0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 56.93 1n4a n GLN 5188Cb 0.47 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 30.17 1n4a n GLN 5188CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n4a s ALA 5189N -3.08 -1.76 -0.08 -1.58 0.00 -1.04 -4.31 121.76 109.92 1n4a s ALA 5189Ca 0.07 0.99 0.04 0.00 0.00 0.00 0.00 51.96 53.06 1n4a s ALA 5189Cb 0.16 0.33 -0.00 0.00 0.00 0.00 0.00 23.12 23.61 1n4a s ALA 5189CO 0.79 -0.60 -0.22 0.42 0.00 0.00 0.00 175.76 176.16 1n4a s ILE 5190N -2.67 1.86 -0.13 0.00 1.01 -0.66 -1.42 121.20 119.20 1n4a s ILE 5190Ca -0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.70 1n4a s ILE 5190Cb -0.01 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 1n4a s ILE 5190CO -0.05 0.52 -0.06 -0.69 0.00 0.00 0.00 174.94 174.65 1n4a s VAL 5191N 0.22 3.69 0.36 2.92 1.01 -0.44 0.37 120.40 128.52 1n4a s VAL 5191Ca -0.13 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1n4a s VAL 5191Cb -0.16 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1n4a s VAL 5191CO 0.06 0.53 0.10 0.27 0.00 0.00 0.00 175.10 176.06 1n4a s ILE 5192N 0.05 0.77 -0.03 2.22 -4.36 0.18 -0.93 121.20 119.11 1n4a s ILE 5192Ca -0.01 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.41 1n4a s ILE 5192Cb -0.14 -2.53 -0.05 0.00 1.25 0.00 0.00 42.46 41.00 1n4a s ILE 5192CO 0.03 0.00 0.08 0.35 0.24 0.00 0.00 174.94 175.64 1n4a n THR 5193N -0.78 0.00 0.22 8.37 -2.24 -1.26 -0.10 114.28 118.49 1n4a n THR 5193Ca -0.04 -0.13 0.02 0.00 -2.27 0.00 0.00 64.05 61.64 1n4a n THR 5193Cb 0.66 0.52 0.12 0.00 -2.10 0.00 0.00 70.33 69.53 1n4a n THR 5193CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n4a n GLY 5194N 2.12 -0.48 0.27 3.38 0.00 -1.26 -2.12 105.19 107.10 1n4a n GLY 5194Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1n4a n GLY 5194CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n4a n GLY 5195N -0.89 -3.46 0.37 -0.02 0.00 -1.24 -4.36 105.19 95.59 1n4a n GLY 5195Ca 0.02 -1.91 0.13 0.00 0.00 0.00 0.00 46.02 44.27 1n4a n GLY 5195CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n4a h PRO 5196N 0.00 0.69 0.00 1.61 0.11 -1.92 -0.97 132.00 131.51 1n4a h PRO 5196Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1n4a h PRO 5196Cb 0.00 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 30.96 1n4a h PRO 5196CO 0.00 0.45 0.00 -0.25 -0.21 0.00 0.00 178.00 177.99 1n4a n ASP 5197N -4.64 0.00 0.01 -2.05 10.43 -1.26 -2.27 116.55 116.77 1n4a n ASP 5197Ca 0.20 0.02 0.11 0.00 2.57 0.00 0.00 54.79 57.69 1n4a n ASP 5197Cb 0.54 -0.25 -0.06 0.00 1.84 0.00 0.00 41.12 43.19 1n4a n ASP 5197CO 0.00 0.00 0.00 1.67 -1.07 0.00 0.00 177.20 177.80 1n4a n GLN 5198N -1.25 0.24 0.10 -1.24 -0.06 -0.37 -4.54 117.38 110.26 1n4a n GLN 5198Ca 0.07 -0.04 -0.12 0.00 -2.00 0.00 0.00 57.00 54.91 1n4a n GLN 5198Cb 0.11 -1.54 -0.05 0.00 -4.06 0.00 0.00 30.24 24.70 1n4a n GLN 5198CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 1n4a h ILE 5199N 0.00 0.52 -0.17 1.69 2.04 -1.54 -2.40 117.51 117.65 1n4a h ILE 5199Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1n4a h ILE 5199Cb 0.69 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1n4a h ILE 5199CO 0.00 0.00 0.22 1.55 0.00 0.00 0.00 178.15 179.92 1n4a h PRO 5200N -0.39 0.00 -0.26 2.37 0.13 -1.80 0.60 132.00 132.66 1n4a h PRO 5200Ca 0.03 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.97 1n4a h PRO 5200Cb 0.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1n4a h PRO 5200CO -0.13 0.00 -0.59 -0.22 -0.23 0.00 0.00 178.00 176.83 1n4a h LYS 5201N 0.00 0.84 -0.01 0.86 3.64 -1.71 -2.14 116.57 118.05 1n4a h LYS 5201Ca 0.08 -0.56 -0.18 0.00 -1.27 0.00 0.00 60.65 58.72 1n4a h LYS 5201Cb 0.52 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1n4a h LYS 5201CO -0.00 1.19 -0.71 0.82 -2.27 0.00 0.00 179.45 178.47 1n4a h ILE 5202N 0.63 1.38 0.00 2.00 5.03 -0.79 -2.17 117.51 123.59 1n4a h ILE 5202Ca 0.00 -2.11 -0.02 0.00 -0.12 0.00 0.00 64.86 62.61 1n4a h ILE 5202Cb 1.20 2.52 -0.00 0.00 -3.03 0.00 0.00 36.82 37.50 1n4a h ILE 5202CO 0.13 0.63 -0.10 0.11 -0.68 0.00 0.00 178.15 178.24 1n4a h LYS 5203N 0.04 0.00 0.16 2.37 1.57 -1.08 0.37 116.57 119.99 1n4a h LYS 5203Ca -0.09 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.39 1n4a h LYS 5203Cb 1.41 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.74 1n4a h LYS 5203CO 0.14 0.10 -1.31 0.37 -0.57 0.00 0.00 179.45 178.18 1n4a h GLN 5204N 0.00 0.53 -0.14 3.15 4.15 -1.36 0.61 115.11 122.05 1n4a h GLN 5204Ca -0.00 -0.78 -0.02 0.00 0.77 0.00 0.00 58.65 58.62 1n4a h GLN 5204Cb 0.38 0.27 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 1n4a h GLN 5204CO 0.01 1.36 0.02 -0.92 -1.93 0.00 0.00 178.83 177.37 1n4a h TYR 5205N 0.20 0.25 0.05 3.99 3.20 -0.64 -3.27 116.97 120.75 1n4a h TYR 5205Ca -0.20 -0.04 -0.25 0.00 3.14 0.00 0.00 58.73 61.39 1n4a h TYR 5205Cb 1.99 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 40.17 1n4a h TYR 5205CO 0.11 0.42 -1.19 -1.49 -1.64 0.00 0.00 178.16 174.36 1n4a h TRP 5206N 0.01 0.19 0.00 -3.82 4.06 -1.06 -3.49 115.95 111.84 1n4a h TRP 5206Ca 0.04 -0.14 0.00 0.00 2.06 0.00 0.00 58.89 60.85 1n4a h TRP 5206Cb 0.30 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.45 1n4a h TRP 5206CO 0.02 1.13 0.00 0.41 -3.56 0.00 0.00 178.44 176.43 1n4a n GLY 5207N 1.46 2.94 0.22 1.49 0.00 0.21 -1.94 105.19 109.57 1n4a n GLY 5207Ca -0.06 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.77 1n4a n GLY 5207CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n4a n GLU 5208N 13.80 0.80 0.26 1.61 4.71 -1.26 -3.92 120.64 136.65 1n4a n GLU 5208Ca 0.00 -0.44 0.14 0.00 -0.01 0.00 0.00 57.16 56.84 1n4a n GLU 5208Cb 0.00 -1.49 0.72 0.00 -1.01 0.00 0.00 31.44 29.66 1n4a n GLU 5208CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 1n4a h GLN 5209N 1.08 0.00 -2.58 3.49 4.15 -1.79 -3.38 115.11 116.08 1n4a h GLN 5209Ca 0.00 0.00 -0.43 0.00 0.77 0.00 0.00 58.65 58.99 1n4a h GLN 5209Cb 0.48 0.00 -0.37 0.00 0.21 0.00 0.00 27.48 27.80 1n4a h GLN 5209CO 0.00 0.11 -0.71 -1.17 -1.93 0.00 0.00 178.83 175.13 1n4a s LEU 5210N -6.98 0.18 -0.91 -2.39 2.96 -1.24 -5.06 118.68 105.23 1n4a s LEU 5210Ca -0.02 -0.90 -0.01 0.00 -0.22 0.00 0.00 54.13 52.98 1n4a s LEU 5210Cb 0.12 0.03 0.27 0.00 0.50 0.00 0.00 46.19 47.12 1n4a s LEU 5210CO 0.57 -0.40 1.10 0.29 -1.32 0.00 0.00 176.35 176.60 1n4a n LYS 5211N 5.28 3.47 -4.22 1.98 4.76 -1.26 -4.76 118.16 123.41 1n4a n LYS 5211Ca -0.05 -4.58 -0.13 0.00 -2.87 0.00 0.00 58.31 50.69 1n4a n LYS 5211Cb 0.45 -2.42 -0.10 0.00 -1.84 0.00 0.00 35.03 31.12 1n4a n LYS 5211CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1n4a s ILE 5212N -2.35 1.01 0.32 -0.18 -4.36 -1.26 -5.12 121.20 109.26 1n4a s ILE 5212Ca 0.33 -1.97 -0.29 0.00 -0.26 0.00 0.00 60.65 58.45 1n4a s ILE 5212Cb 0.05 -1.74 -0.12 0.00 1.25 0.00 0.00 42.46 41.90 1n4a s ILE 5212CO 0.01 -0.76 1.52 -0.81 0.24 0.00 0.00 174.94 175.14 1n4a n PRO 5213N -0.06 2.60 -3.98 0.37 -0.04 -1.26 -4.79 135.00 127.84 1n4a n PRO 5213Ca -0.11 0.92 -0.35 0.00 -0.04 0.00 0.00 63.50 63.91 1n4a n PRO 5213Cb 0.60 -2.66 -0.12 0.00 -0.04 0.00 0.00 33.50 31.28 1n4a n PRO 5213CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1n4a s VAL 5214N -0.49 4.15 -0.30 0.52 1.01 -1.26 -1.66 120.40 122.36 1n4a s VAL 5214Ca 0.60 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 1n4a s VAL 5214Cb -0.51 -2.89 0.04 0.00 0.00 0.00 0.00 36.38 33.02 1n4a s VAL 5214CO 0.55 0.41 0.04 -0.63 0.00 0.00 0.00 175.10 175.46 1n4a s ILE 5215N 1.11 3.37 -0.03 2.22 1.01 0.16 -4.98 121.20 124.06 1n4a s ILE 5215Ca 0.03 -1.14 -0.18 0.00 0.00 0.00 0.00 60.65 59.36 1n4a s ILE 5215Cb -0.14 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 1n4a s ILE 5215CO 0.02 -0.06 0.49 -2.16 0.00 0.00 0.00 174.94 173.24 1n4a s PRO 5216N 1.35 4.18 0.17 2.79 0.04 -1.26 -0.64 135.00 141.63 1n4a s PRO 5216Ca -0.02 0.54 0.11 0.00 0.04 0.00 0.00 61.00 61.67 1n4a s PRO 5216Cb -0.19 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 1n4a s PRO 5216CO 0.00 0.45 -0.23 -0.51 0.04 0.00 0.00 177.00 176.76 1n4a s LEU 5217N -0.37 2.49 0.11 -3.56 1.43 0.86 -4.84 118.68 114.80 1n4a s LEU 5217Ca 0.27 -0.79 -0.31 0.00 -1.03 0.00 0.00 54.13 52.27 1n4a s LEU 5217Cb -0.17 -1.26 -0.09 0.00 0.03 0.00 0.00 46.19 44.70 1n4a s LEU 5217CO 0.14 0.14 1.66 -0.89 0.23 0.00 0.00 176.35 177.62 1n4a s THR 5218N -1.51 2.80 0.11 5.49 2.01 -1.26 -3.59 115.64 119.70 1n4a s THR 5218Ca 0.20 0.39 -0.23 0.00 0.31 0.00 0.00 61.69 62.36 1n4a s THR 5218Cb -0.09 -3.25 -0.08 0.00 0.01 0.00 0.00 72.50 69.10 1n4a s THR 5218CO 0.10 0.01 1.69 0.28 -0.69 0.00 0.00 174.62 176.01 1n4a h SER 5219N 7.88 -0.29 -0.04 3.53 0.02 -1.77 -1.71 113.55 121.16 1n4a h SER 5219Ca -0.43 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 60.58 1n4a h SER 5219Cb 1.20 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.87 1n4a h SER 5219CO 0.93 -0.14 0.04 0.44 -1.14 0.00 0.00 176.83 176.95 1n4a h ASP 5220N -0.15 0.00 0.03 3.07 3.32 -1.91 -1.53 116.42 119.24 1n4a h ASP 5220Ca 0.05 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 1n4a h ASP 5220Cb 0.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1n4a h ASP 5220CO -0.12 0.00 -0.39 -0.50 -1.72 0.00 0.00 179.24 176.50 1n4a h TRP 5221N 0.00 0.10 0.03 4.55 6.55 -1.77 -3.36 115.95 122.05 1n4a h TRP 5221Ca 0.02 -0.08 -0.21 0.00 0.95 0.00 0.00 58.89 59.57 1n4a h TRP 5221Cb 0.09 -0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.37 1n4a h TRP 5221CO 0.00 1.15 -0.99 0.35 -1.05 0.00 0.00 178.44 177.90 1n4a h PHE 5222N -0.87 0.16 -0.01 0.49 3.57 -1.24 -3.29 116.94 115.75 1n4a h PHE 5222Ca -0.09 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1n4a h PHE 5222Cb 1.18 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1n4a h PHE 5222CO 0.23 1.02 -0.11 0.39 -2.23 0.00 0.00 178.31 177.61 1n4a n GLU 5223N -3.49 1.26 -4.84 1.11 1.02 -0.58 -4.78 120.64 110.36 1n4a n GLU 5223Ca -0.02 -0.72 -0.33 0.00 -0.02 0.00 0.00 57.16 56.07 1n4a n GLU 5223Cb 0.90 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.68 1n4a n GLU 5223CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1n4a s ARG 5224N -2.23 3.25 -1.34 3.49 0.52 -1.26 -5.03 118.95 116.35 1n4a s ARG 5224Ca 0.32 -0.76 -0.15 0.00 -0.52 0.00 0.00 55.73 54.62 1n4a s ARG 5224Cb 0.20 -2.54 0.09 0.00 0.52 0.00 0.00 34.95 33.22 1n4a s ARG 5224CO 0.42 0.15 1.88 0.00 0.02 0.00 0.00 175.30 177.77 1n4a n ALA 5225N 3.66 4.51 -3.11 2.13 0.00 -1.26 -4.48 120.51 121.96 1n4a n ALA 5225Ca -0.19 -3.97 -0.12 0.00 0.00 0.00 0.00 53.44 49.16 1n4a n ALA 5225Cb 0.53 -3.43 -0.04 0.00 0.00 0.00 0.00 19.45 16.51 1n4a n ALA 5225CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1n4a s SER 5226N 3.25 0.40 0.47 0.00 1.04 -1.26 -4.75 113.70 112.85 1n4a s SER 5226Ca 0.48 -1.23 0.29 0.00 0.48 0.00 0.00 55.95 55.97 1n4a s SER 5226Cb 0.07 0.66 1.37 0.00 0.10 0.00 0.00 66.02 68.21 1n4a s SER 5226CO 0.00 -1.29 1.74 -0.65 0.98 0.00 0.00 173.24 174.03 1n4a h PRO 5227N 2.16 0.16 0.00 4.02 0.11 -1.91 -1.94 132.00 134.61 1n4a h PRO 5227Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1n4a h PRO 5227Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1n4a h PRO 5227CO 0.38 0.11 0.00 0.54 -0.21 0.00 0.00 178.00 178.82 1n4a n ARG 5228N -4.43 0.37 0.28 1.05 1.74 -1.26 -2.69 116.66 111.71 1n4a n ARG 5228Ca 0.29 0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.55 1n4a n ARG 5228Cb 1.18 -1.50 0.79 0.00 -1.02 0.00 0.00 32.46 31.92 1n4a n ARG 5228CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1n4a h ILE 5229N 0.00 0.69 -0.05 0.55 6.09 -1.42 -0.92 117.51 122.45 1n4a h ILE 5229Ca 0.00 -0.15 -0.08 0.00 -1.37 0.00 0.00 64.86 63.26 1n4a h ILE 5229Cb 0.05 1.09 -0.01 0.00 0.47 0.00 0.00 36.82 38.42 1n4a h ILE 5229CO 0.00 0.04 -0.34 -0.29 -3.07 0.00 0.00 178.15 174.49 1n4a h ILE 5230N 0.00 1.26 -0.24 2.19 6.09 -1.77 -0.36 117.51 124.68 1n4a h ILE 5230Ca -0.00 -1.23 -0.15 0.00 -1.37 0.00 0.00 64.86 62.11 1n4a h ILE 5230Cb 0.09 1.60 -0.01 0.00 0.47 0.00 0.00 36.82 38.97 1n4a h ILE 5230CO 0.01 0.36 -0.46 -0.07 -3.07 0.00 0.00 178.15 174.91 1n4a h LEU 5231N 0.08 0.68 -0.35 2.19 3.38 -1.41 -1.56 115.31 118.31 1n4a h LEU 5231Ca 0.01 -0.33 -0.16 0.00 0.09 0.00 0.00 57.88 57.49 1n4a h LEU 5231Cb 0.64 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1n4a h LEU 5231CO 0.05 1.04 -0.41 0.00 0.09 0.00 0.00 178.44 179.20 1n4a h ALA 5232N 0.99 0.53 -0.52 1.53 0.00 -1.32 -1.06 119.26 119.39 1n4a h ALA 5232Ca 0.03 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1n4a h ALA 5232Cb 1.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1n4a h ALA 5232CO 0.09 0.65 0.27 0.00 0.00 0.00 0.00 179.25 180.26 1n4a h ALA 5233N 0.74 0.67 -0.36 0.00 0.00 -0.92 0.32 119.26 119.72 1n4a h ALA 5233Ca 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1n4a h ALA 5233Cb 1.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1n4a h ALA 5233CO 0.10 0.22 0.17 1.96 0.00 0.00 0.00 179.25 181.70 1n4a h GLN 5234N 0.70 0.52 -0.29 0.00 4.20 -1.22 0.11 115.11 119.12 1n4a h GLN 5234Ca 0.18 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.85 1n4a h GLN 5234Cb 0.09 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1n4a h GLN 5234CO -0.03 0.47 0.10 0.37 -0.67 0.00 0.00 178.83 179.08 1n4a h GLN 5235N 0.44 0.23 -0.27 1.46 4.15 -0.72 -2.03 115.11 118.37 1n4a h GLN 5235Ca 0.12 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.46 1n4a h GLN 5235Cb 0.12 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1n4a h GLN 5235CO -0.02 0.15 -0.10 1.25 -1.93 0.00 0.00 178.83 178.19 1n4a h LEU 5236N 0.24 0.56 -0.69 -2.39 5.85 -0.14 -2.64 115.31 116.10 1n4a h LEU 5236Ca 0.13 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.52 1n4a h LEU 5236Cb 0.09 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 1n4a h LEU 5236CO -0.13 0.82 0.38 0.00 -0.34 0.00 0.00 178.44 179.18 1n4a h ASN 5238N 0.70 -0.09 0.02 0.00 2.35 -1.35 -2.24 115.58 114.96 1n4a h ASN 5238Ca 0.31 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.84 1n4a h ASN 5238Cb 0.21 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1n4a h ASN 5238CO -0.19 0.06 -0.34 0.00 -1.65 0.00 0.00 177.43 175.31 1n4a h ALA 5239N 0.68 1.03 0.00 -0.83 0.00 -1.22 -3.03 119.26 115.89 1n4a h ALA 5239Ca -0.01 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 1n4a h ALA 5239Cb 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1n4a h ALA 5239CO 0.02 0.59 -0.66 1.25 0.00 0.00 0.00 179.25 180.45 1n4a h LEU 5240N 0.38 0.00 -2.16 0.00 5.85 -0.87 -3.08 115.31 115.44 1n4a h LEU 5240Ca 0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1n4a h LEU 5240Cb 0.78 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 1n4a h LEU 5240CO 0.06 0.66 -0.02 0.28 -0.34 0.00 0.00 178.44 179.09 1n4a h SER 5241N 0.00 0.00 1.38 1.25 0.02 -1.27 -2.02 113.55 112.92 1n4a h SER 5241Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1n4a h SER 5241Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1n4a h SER 5241CO 0.09 0.02 -0.44 1.56 -1.14 0.00 0.00 176.83 176.92 1n4a h GLN 5242N 0.00 0.00 -6.23 3.45 4.20 -1.59 -3.45 115.11 111.49 1n4a h GLN 5242Ca -0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 1n4a h GLN 5242Cb 0.28 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1n4a h GLN 5242CO 0.00 0.00 1.03 0.08 -0.67 0.00 0.00 178.83 179.27 1n4a s VAL 5243N -3.23 3.82 -1.69 -0.54 1.01 -0.76 -5.16 120.40 113.84 1n4a s VAL 5243Ca 0.05 0.98 0.14 0.00 0.00 0.00 0.00 61.98 63.15 1n4a s VAL 5243Cb 0.09 -3.65 0.11 0.00 0.00 0.00 0.00 36.38 32.93 1n4a s VAL 5243CO 0.71 -0.10 0.93 -0.67 0.00 0.00 0.00 175.10 175.96