#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsy s PHE 5002N 0.00 -0.08 -0.24 1.12 -0.12 -1.26 -5.16 117.98 112.24 1vsy s PHE 5002Ca 0.00 -0.04 0.02 0.00 -0.05 0.00 0.00 56.93 56.86 1vsy s PHE 5002Cb 0.00 0.55 0.06 0.00 -0.63 0.00 0.00 43.02 43.00 1vsy s PHE 5002CO 0.00 -0.34 -0.09 -0.51 -0.05 0.00 0.00 175.22 174.23 1vsy s LEU 5003N -2.81 2.91 -0.17 -1.99 1.43 -1.26 -5.11 118.68 111.68 1vsy s LEU 5003Ca 0.13 -1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 51.89 1vsy s LEU 5003Cb 0.03 -1.36 -0.05 0.00 0.03 0.00 0.00 46.19 44.84 1vsy s LEU 5003CO -0.03 -0.20 0.20 0.42 0.23 0.00 0.00 176.35 176.97 1vsy s THR 5004N 1.26 5.37 -0.15 5.49 -4.23 -1.26 -5.09 115.64 117.04 1vsy s THR 5004Ca -0.06 0.34 -0.09 0.00 -1.18 0.00 0.00 61.69 60.70 1vsy s THR 5004Cb -0.19 -3.53 0.05 0.00 1.34 0.00 0.00 72.50 70.17 1vsy s THR 5004CO -0.06 0.44 0.37 -0.13 -0.54 0.00 0.00 174.62 174.69 1vsy s ARG 5005N 0.27 0.36 0.42 3.99 0.52 -1.26 -5.16 118.95 118.09 1vsy s ARG 5005Ca 0.12 0.69 0.00 0.00 -0.52 0.00 0.00 55.73 56.02 1vsy s ARG 5005Cb -0.12 -0.01 -0.01 0.00 0.52 0.00 0.00 34.95 35.33 1vsy s ARG 5005CO 0.01 -0.14 0.64 0.45 0.02 0.00 0.00 175.30 176.28 1vsy s SER 5006N 1.17 5.97 0.00 0.23 0.15 -1.26 -5.01 113.70 114.95 1vsy s SER 5006Ca -0.08 0.34 0.27 0.00 0.70 0.00 0.00 55.95 57.19 1vsy s SER 5006Cb -0.08 -1.68 0.96 0.00 -1.71 0.00 0.00 66.02 63.51 1vsy s SER 5006CO -0.10 -0.59 1.70 -0.62 1.20 0.00 0.00 173.24 174.83 1vsy n GLU 5007N -2.01 0.48 -0.12 5.44 -0.58 -1.26 -3.96 120.64 118.63 1vsy n GLU 5007Ca -0.00 -0.21 0.06 0.00 -0.42 0.00 0.00 57.16 56.58 1vsy n GLU 5007Cb 0.57 -1.50 0.12 0.00 -0.57 0.00 0.00 31.44 30.07 1vsy n GLU 5007CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1vsy n TYR 5008N -1.07 0.32 -0.65 -0.32 4.02 -1.26 -4.95 117.16 113.25 1vsy n TYR 5008Ca 0.11 -0.33 -0.29 0.00 -0.01 0.00 0.00 57.90 57.38 1vsy n TYR 5008Cb 0.31 -0.02 0.15 0.00 -0.02 0.00 0.00 39.34 39.77 1vsy n TYR 5008CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1vsy n ASP 5009N 0.60 -2.64 0.00 7.72 10.43 -1.25 -3.68 116.55 127.73 1vsy n ASP 5009Ca 0.10 -0.20 0.00 0.00 2.57 0.00 0.00 54.79 57.26 1vsy n ASP 5009Cb 0.39 -0.85 0.00 0.00 1.84 0.00 0.00 41.12 42.49 1vsy n ASP 5009CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1vsy n ARG 5010N -1.61 0.00 0.00 -1.24 1.74 -1.26 -4.92 116.66 109.37 1vsy n ARG 5010Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1vsy n ARG 5010Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 1vsy n ARG 5010CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vsy n GLY 5011N 0.00 0.00 3.60 -0.13 0.00 -1.24 -4.50 105.19 102.92 1vsy n GLY 5011Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1vsy n GLY 5011CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vsy s VAL 5012N 0.00 5.06 -1.63 1.61 0.11 -1.26 -3.88 120.40 120.41 1vsy s VAL 5012Ca 0.00 0.76 -0.09 0.00 -2.93 0.00 0.00 61.98 59.72 1vsy s VAL 5012Cb 0.00 -3.85 0.08 0.00 -1.53 0.00 0.00 36.38 31.08 1vsy s VAL 5012CO 0.00 0.03 0.35 -1.54 -3.33 0.00 0.00 175.10 170.60 1vsy n SER 5013N 5.58 -0.62 -3.94 3.54 3.41 -1.26 -4.98 113.62 115.35 1vsy n SER 5013Ca -0.04 -1.18 -0.15 0.00 -0.26 0.00 0.00 58.87 57.24 1vsy n SER 5013Cb 0.50 -2.06 -0.14 0.00 -0.26 0.00 0.00 64.21 62.25 1vsy n SER 5013CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1vsy s THR 5014N -3.86 0.31 0.10 6.66 -1.32 -1.26 -5.14 115.64 111.13 1vsy s THR 5014Ca 0.32 -0.22 -0.31 0.00 -1.21 0.00 0.00 61.69 60.27 1vsy s THR 5014Cb -0.18 -0.27 -0.07 0.00 -1.51 0.00 0.00 72.50 70.47 1vsy s THR 5014CO 0.97 0.05 1.24 -0.36 -2.21 0.00 0.00 174.62 174.32 1vsy s PHE 5015N -0.18 3.39 0.88 9.09 0.08 -1.26 -4.67 117.98 125.31 1vsy s PHE 5015Ca 0.01 1.25 -0.10 0.00 0.12 0.00 0.00 56.93 58.20 1vsy s PHE 5015Cb -0.02 -3.48 0.12 0.00 -0.57 0.00 0.00 43.02 39.07 1vsy s PHE 5015CO -0.00 -1.52 1.12 0.45 -0.10 0.00 0.00 175.22 175.16 1vsy s SER 5016N 0.86 3.37 0.00 1.36 0.15 -0.51 -4.89 113.70 114.03 1vsy s SER 5016Ca 0.59 1.99 0.00 0.00 0.70 0.00 0.00 55.95 59.23 1vsy s SER 5016Cb -0.32 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.48 1vsy s SER 5016CO 0.31 -2.79 0.66 -2.65 1.20 0.00 0.00 173.24 169.97 1vsy n PRO 5017N -4.02 0.00 -0.06 5.44 -0.02 -1.26 -1.56 135.00 133.52 1vsy n PRO 5017Ca 0.10 0.17 -0.03 0.00 -2.02 0.00 0.00 63.50 61.71 1vsy n PRO 5017Cb 0.53 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.36 1vsy n PRO 5017CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1vsy n GLU 5018N -1.16 0.95 0.00 -0.52 1.02 -1.26 -4.98 120.64 114.69 1vsy n GLU 5018Ca 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1vsy n GLU 5018Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1vsy n GLU 5018CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vsy n GLY 5019N 1.76 1.37 3.86 0.62 0.00 -0.60 -5.11 105.19 107.09 1vsy n GLY 5019Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1vsy n GLY 5019CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vsy s ARG 5020N -0.01 3.74 -0.88 1.61 0.52 -1.26 -4.87 118.95 117.80 1vsy s ARG 5020Ca 0.00 0.18 -0.01 0.00 -0.52 0.00 0.00 55.73 55.38 1vsy s ARG 5020Cb 0.00 -3.13 0.22 0.00 0.52 0.00 0.00 34.95 32.56 1vsy s ARG 5020CO 0.00 0.66 0.76 -0.51 0.02 0.00 0.00 175.30 176.23 1vsy s LEU 5021N -1.43 5.48 0.56 2.53 1.43 -1.26 -1.42 118.68 124.56 1vsy s LEU 5021Ca 0.26 -3.77 0.28 0.00 -1.03 0.00 0.00 54.13 49.87 1vsy s LEU 5021Cb -0.15 -1.88 1.47 0.00 0.03 0.00 0.00 46.19 45.67 1vsy s LEU 5021CO 0.14 -0.16 1.97 -0.26 0.23 0.00 0.00 176.35 178.26 1vsy h PHE 5022N 5.91 0.00 -0.60 0.29 0.04 -1.83 0.40 116.94 121.15 1vsy h PHE 5022Ca 0.16 0.00 0.07 0.00 2.80 0.00 0.00 57.97 61.00 1vsy h PHE 5022Cb 0.80 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.91 1vsy h PHE 5022CO 0.72 0.00 0.40 0.37 -0.60 0.00 0.00 178.31 179.20 1vsy h GLN 5023N 0.00 0.52 0.00 1.51 5.75 -1.79 -2.10 115.11 119.00 1vsy h GLN 5023Ca 0.23 -0.03 -0.22 0.00 -0.15 0.00 0.00 58.65 58.48 1vsy h GLN 5023Cb 1.05 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 29.44 1vsy h GLN 5023CO -0.00 0.34 -1.95 0.28 -2.65 0.00 0.00 178.83 174.85 1vsy n VAL 5024N -4.48 1.02 0.24 2.39 0.31 0.14 -2.66 118.33 115.30 1vsy n VAL 5024Ca 0.09 -0.72 0.07 0.00 -0.01 0.00 0.00 64.34 63.77 1vsy n VAL 5024Cb 0.27 -0.48 0.61 0.00 -0.91 0.00 0.00 33.84 33.33 1vsy n VAL 5024CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1vsy h GLU 5025N 0.00 0.02 0.20 5.55 4.81 -1.17 -2.62 114.58 121.36 1vsy h GLU 5025Ca -0.29 -0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.59 1vsy h GLU 5025Cb 1.74 -0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.13 1vsy h GLU 5025CO 0.03 0.05 -1.71 1.88 -0.73 0.00 0.00 179.01 178.53 1vsy h TYR 5026N 0.02 0.77 -1.08 0.92 0.05 -1.48 -3.20 116.97 112.97 1vsy h TYR 5026Ca 0.00 -0.56 0.31 0.00 0.05 0.00 0.00 58.73 58.53 1vsy h TYR 5026Cb 0.06 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 37.73 1vsy h TYR 5026CO 0.00 1.67 0.87 1.03 -1.05 0.00 0.00 178.16 180.67 1vsy h SER 5027N 0.11 0.00 0.94 3.88 0.87 -1.25 -0.15 113.55 117.96 1vsy h SER 5027Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1vsy h SER 5027Cb 2.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.08 1vsy h SER 5027CO 0.20 0.00 -0.93 -0.07 -0.53 0.00 0.00 176.83 175.49 1vsy h LEU 5028N 0.00 0.00 0.00 2.23 4.07 -1.47 -3.33 115.31 116.81 1vsy h LEU 5028Ca 0.51 -0.06 -0.12 0.00 0.08 0.00 0.00 57.88 58.29 1vsy h LEU 5028Cb 2.24 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.96 1vsy h LEU 5028CO -0.01 0.03 -0.63 -0.33 -1.08 0.00 0.00 178.44 176.42 1vsy h GLU 5029N 0.00 0.00 0.00 1.13 4.39 -1.04 -3.32 114.58 115.74 1vsy h GLU 5029Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1vsy h GLU 5029Cb 0.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1vsy h GLU 5029CO 0.00 0.56 0.00 0.00 -1.16 0.00 0.00 179.01 178.41 1vsy n ALA 5030N -2.25 2.34 -0.04 3.43 0.00 -1.15 -1.90 120.51 120.94 1vsy n ALA 5030Ca 0.01 -0.13 -0.16 0.00 0.00 0.00 0.00 53.44 53.16 1vsy n ALA 5030Cb 0.77 -1.43 -0.08 0.00 0.00 0.00 0.00 19.45 18.72 1vsy n ALA 5030CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1vsy h ILE 5031N 0.00 1.34 0.00 0.00 2.04 -1.75 -3.17 117.51 115.97 1vsy h ILE 5031Ca 0.00 -1.80 0.00 0.00 1.00 0.00 0.00 64.86 64.06 1vsy h ILE 5031Cb 0.20 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1vsy h ILE 5031CO 0.00 0.55 0.00 1.17 0.00 0.00 0.00 178.15 179.87 1vsy n LYS 5032N -4.18 0.00 -1.19 2.37 0.00 -0.80 -2.88 118.16 111.49 1vsy n LYS 5032Ca -0.07 0.41 -0.02 0.00 0.00 0.00 0.00 58.31 58.63 1vsy n LYS 5032Cb 0.61 -1.50 0.13 0.00 0.00 0.00 0.00 35.03 34.27 1vsy n LYS 5032CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1vsy n LEU 5033N -1.42 2.90 0.00 3.14 4.77 -1.20 -3.20 117.00 122.00 1vsy n LEU 5033Ca 0.00 -3.77 0.00 0.00 -0.03 0.00 0.00 56.01 52.21 1vsy n LEU 5033Cb 0.01 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1vsy n LEU 5033CO 0.00 1.41 0.00 0.61 -1.33 0.00 0.00 177.39 178.09 1vsy n GLY 5034N -0.76 5.97 3.75 -0.72 0.00 -1.15 -4.86 105.19 107.42 1vsy n GLY 5034Ca 0.22 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 1vsy n GLY 5034CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vsy s SER 5035N 1.00 5.08 0.44 1.61 0.01 -1.26 -2.08 113.70 118.49 1vsy s SER 5035Ca 0.00 2.47 -0.22 0.00 1.31 0.00 0.00 55.95 59.51 1vsy s SER 5035Cb 0.00 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.53 1vsy s SER 5035CO 0.00 -1.68 1.01 -0.89 0.41 0.00 0.00 173.24 172.10 1vsy s THR 5036N -1.52 3.94 -0.19 1.44 2.01 -1.26 -4.05 115.64 116.01 1vsy s THR 5036Ca 0.78 1.30 -0.16 0.00 0.31 0.00 0.00 61.69 63.92 1vsy s THR 5036Cb -0.33 -3.58 0.05 0.00 0.01 0.00 0.00 72.50 68.65 1vsy s THR 5036CO 0.35 -0.17 0.49 0.00 -0.69 0.00 0.00 174.62 174.60 1vsy s ALA 5037N -1.92 -1.22 -0.02 7.40 0.00 -0.24 -2.46 121.76 123.31 1vsy s ALA 5037Ca 0.63 1.43 -0.00 0.00 0.00 0.00 0.00 51.96 54.01 1vsy s ALA 5037Cb -0.16 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.15 1vsy s ALA 5037CO 0.20 -0.24 0.03 0.42 0.00 0.00 0.00 175.76 176.18 1vsy s ILE 5038N 0.42 -0.04 -0.03 0.00 1.01 -0.04 -1.56 121.20 120.96 1vsy s ILE 5038Ca -0.01 0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.84 1vsy s ILE 5038Cb -0.04 -0.08 -0.01 0.00 0.01 0.00 0.00 42.46 42.34 1vsy s ILE 5038CO -0.01 0.06 -0.17 -0.83 0.00 0.00 0.00 174.94 173.99 1vsy s GLY 5039N 0.78 0.87 0.00 6.18 0.00 -0.03 -1.09 107.32 114.04 1vsy s GLY 5039Ca -0.06 -0.70 0.02 0.00 0.00 0.00 0.00 44.72 43.97 1vsy s GLY 5039CO -0.02 -0.46 -0.06 -0.42 0.00 0.00 0.00 173.10 172.14 1vsy s ILE 5040N -0.15 0.44 -0.12 0.90 1.01 -0.76 -0.86 121.20 121.66 1vsy s ILE 5040Ca 0.01 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.29 1vsy s ILE 5040Cb -0.09 -0.40 -0.01 0.00 0.01 0.00 0.00 42.46 41.96 1vsy s ILE 5040CO 0.01 0.03 -0.15 0.00 0.00 0.00 0.00 174.94 174.83 1vsy s ALA 5041N -0.34 2.55 0.49 9.38 0.00 -1.10 -1.41 121.76 131.33 1vsy s ALA 5041Ca -0.00 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.10 1vsy s ALA 5041Cb -0.03 -1.14 0.04 0.00 0.00 0.00 0.00 23.12 21.99 1vsy s ALA 5041CO -0.00 0.27 0.37 0.25 0.00 0.00 0.00 175.76 176.64 1vsy n THR 5042N 3.48 0.00 1.53 0.00 -2.24 -0.21 -4.89 114.28 111.94 1vsy n THR 5042Ca -0.18 -1.93 0.12 0.00 -2.27 0.00 0.00 64.05 59.79 1vsy n THR 5042Cb 0.53 -0.08 0.53 0.00 -2.10 0.00 0.00 70.33 69.20 1vsy n THR 5042CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1vsy n LYS 5043N -1.65 1.52 -0.01 -0.78 5.02 -1.26 -3.99 118.16 117.02 1vsy n LYS 5043Ca -0.02 -0.77 0.00 0.00 -2.02 0.00 0.00 58.31 55.51 1vsy n LYS 5043Cb 0.55 -1.43 0.01 0.00 -0.02 0.00 0.00 35.03 34.14 1vsy n LYS 5043CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1vsy n GLU 5044N -0.04 2.72 0.00 1.97 1.02 -1.26 -4.95 120.64 120.10 1vsy n GLU 5044Ca 0.18 -1.49 0.00 0.00 -0.02 0.00 0.00 57.16 55.83 1vsy n GLU 5044Cb 0.28 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 1vsy n GLU 5044CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vsy n GLY 5045N -0.52 0.67 3.05 0.62 0.00 -1.26 -4.72 105.19 103.05 1vsy n GLY 5045Ca 0.01 -1.70 -0.22 0.00 0.00 0.00 0.00 46.02 44.11 1vsy n GLY 5045CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vsy s VAL 5046N -1.45 1.03 -0.10 1.61 1.01 -1.02 -1.05 120.40 120.43 1vsy s VAL 5046Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1vsy s VAL 5046Cb 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1vsy s VAL 5046CO 0.00 0.31 -0.10 -0.69 0.00 0.00 0.00 175.10 174.61 1vsy s VAL 5047N 0.10 3.35 -0.11 2.92 1.01 -0.50 -1.03 120.40 126.12 1vsy s VAL 5047Ca -0.03 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1vsy s VAL 5047Cb -0.09 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.91 1vsy s VAL 5047CO 0.01 0.55 -0.15 -0.76 0.00 0.00 0.00 175.10 174.74 1vsy s LEU 5048N -0.14 1.74 0.15 3.92 1.02 0.30 -1.83 118.68 123.84 1vsy s LEU 5048Ca 0.00 -0.44 0.07 0.00 0.02 0.00 0.00 54.13 53.78 1vsy s LEU 5048Cb -0.13 -1.12 -0.04 0.00 0.02 0.00 0.00 46.19 44.92 1vsy s LEU 5048CO 0.03 0.01 -0.16 -0.83 0.02 0.00 0.00 176.35 175.42 1vsy s GLY 5049N 1.03 1.28 0.31 -3.19 0.00 -0.25 -1.15 107.32 105.35 1vsy s GLY 5049Ca -0.05 -1.43 0.02 0.00 0.00 0.00 0.00 44.72 43.26 1vsy s GLY 5049CO -0.03 -1.48 0.32 -1.34 0.00 0.00 0.00 173.10 170.57 1vsy s VAL 5050N -2.14 0.00 -0.25 1.40 -7.23 -1.05 -0.86 120.40 110.26 1vsy s VAL 5050Ca 0.14 -1.84 -0.08 0.00 -1.81 0.00 0.00 61.98 58.38 1vsy s VAL 5050Cb -0.05 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.33 1vsy s VAL 5050CO 0.05 0.00 0.09 -0.70 -0.31 0.00 0.00 175.10 174.23 1vsy s GLU 5051N -3.49 3.73 -0.08 4.82 2.12 -1.03 -3.33 118.70 121.45 1vsy s GLU 5051Ca 0.36 -0.44 -0.03 0.00 0.36 0.00 0.00 54.97 55.23 1vsy s GLU 5051Cb 0.02 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 31.02 1vsy s GLU 5051CO 0.21 -0.16 0.11 0.87 -0.54 0.00 0.00 175.26 175.76 1vsy h LYS 5052N 8.16 -0.09 -3.40 4.30 1.57 -0.53 -3.44 116.57 123.15 1vsy h LYS 5052Ca -0.38 0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.28 1vsy h LYS 5052Cb 1.18 0.02 0.07 0.00 0.08 0.00 0.00 32.23 33.57 1vsy h LYS 5052CO 0.58 -0.06 -0.30 -2.13 -0.57 0.00 0.00 179.45 176.97 1vsy n ARG 5053N -4.63 -2.66 -1.71 3.15 0.63 -1.25 -4.97 116.66 105.22 1vsy n ARG 5053Ca -0.01 0.34 -0.43 0.00 -0.92 0.00 0.00 57.85 56.83 1vsy n ARG 5053Cb 0.04 -3.83 -0.01 0.00 0.45 0.00 0.00 32.46 29.10 1vsy n ARG 5053CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vsy n ALA 5054N -2.32 1.61 -2.27 5.13 0.00 -1.19 -4.92 120.51 116.54 1vsy n ALA 5054Ca -0.11 0.37 -0.28 0.00 0.00 0.00 0.00 53.44 53.43 1vsy n ALA 5054Cb 0.56 -2.32 0.01 0.00 0.00 0.00 0.00 19.45 17.71 1vsy n ALA 5054CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1vsy n THR 5055N 0.98 2.58 0.00 0.00 -1.04 -1.26 -5.02 114.28 110.52 1vsy n THR 5055Ca 0.06 -4.63 0.00 0.00 -2.04 0.00 0.00 64.05 57.44 1vsy n THR 5055Cb 0.36 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 1vsy n THR 5055CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1vsy n SER 5056N -0.56 0.00 0.09 8.00 2.88 -1.26 -4.92 113.62 117.85 1vsy n SER 5056Ca 0.43 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.89 1vsy n SER 5056Cb 0.69 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.12 1vsy n SER 5056CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1vsy h PRO 5057N 0.00 0.10 0.00 -1.46 0.11 -2.04 -3.39 132.00 125.32 1vsy h PRO 5057Ca 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1vsy h PRO 5057Cb 0.00 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1vsy h PRO 5057CO 0.00 0.93 0.00 1.28 -0.21 0.00 0.00 178.00 180.00 1vsy n LEU 5058N -3.57 0.15 -4.11 2.35 4.77 -1.26 -4.45 117.00 110.88 1vsy n LEU 5058Ca -0.02 0.67 -0.34 0.00 -0.03 0.00 0.00 56.01 56.29 1vsy n LEU 5058Cb 0.83 -0.21 -0.15 0.00 -2.33 0.00 0.00 43.42 41.56 1vsy n LEU 5058CO 0.47 -0.21 2.01 -0.11 -1.33 0.00 0.00 177.39 178.22 1vsy n LEU 5059N -1.13 -0.10 -4.58 2.23 -0.00 -1.26 -4.79 117.00 107.38 1vsy n LEU 5059Ca 0.00 0.02 -0.41 0.00 -0.00 0.00 0.00 56.01 55.62 1vsy n LEU 5059Cb 0.00 -0.76 -0.03 0.00 -0.00 0.00 0.00 43.42 42.63 1vsy n LEU 5059CO 0.00 -0.80 1.49 -1.83 -0.00 0.00 0.00 177.39 176.24 1vsy s GLU 5060N 7.81 3.07 0.91 1.96 -1.05 -1.26 -4.78 118.70 125.37 1vsy s GLU 5060Ca 1.23 0.90 -0.16 0.00 -0.15 0.00 0.00 54.97 56.79 1vsy s GLU 5060Cb -1.07 -4.24 -0.11 0.00 -0.44 0.00 0.00 34.13 28.27 1vsy s GLU 5060CO 0.46 -2.19 -0.44 0.43 0.95 0.00 0.00 175.26 174.48 1vsy n SER 5061N 11.00 -4.79 0.00 0.83 7.64 -1.26 -3.49 113.62 123.54 1vsy n SER 5061Ca 0.20 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1vsy n SER 5061Cb 0.49 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1vsy n SER 5061CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1vsy n ASP 5062N 2.33 0.00 -0.10 6.43 8.00 -1.26 -4.78 116.55 127.16 1vsy n ASP 5062Ca 0.01 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.65 1vsy n ASP 5062Cb 0.54 0.00 0.59 0.00 -0.02 0.00 0.00 41.12 42.23 1vsy n ASP 5062CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1vsy n SER 5063N 0.00 0.45 -4.46 -2.24 3.41 -1.23 -4.34 113.62 105.21 1vsy n SER 5063Ca 0.00 -0.48 -0.44 0.00 -0.26 0.00 0.00 58.87 57.69 1vsy n SER 5063Cb 0.00 -0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 63.86 1vsy n SER 5063CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1vsy s ILE 5064N -2.54 4.84 -0.65 -1.33 1.01 -1.26 -4.97 121.20 116.30 1vsy s ILE 5064Ca 0.27 -2.10 -0.13 0.00 0.00 0.00 0.00 60.65 58.69 1vsy s ILE 5064Cb 0.20 -4.87 0.16 0.00 0.01 0.00 0.00 42.46 37.97 1vsy s ILE 5064CO 0.49 -1.59 0.57 -0.70 0.00 0.00 0.00 174.94 173.71 1vsy s GLU 5065N 2.24 3.11 0.00 2.79 2.12 -1.26 -4.80 118.70 122.90 1vsy s GLU 5065Ca 0.39 -2.07 0.13 0.00 0.36 0.00 0.00 54.97 53.78 1vsy s GLU 5065Cb -0.03 -4.25 0.07 0.00 0.26 0.00 0.00 34.13 30.18 1vsy s GLU 5065CO -0.04 -1.28 0.86 1.63 -0.54 0.00 0.00 175.26 175.89 1vsy n LYS 5066N 4.57 1.13 -4.04 4.30 5.02 -1.26 -4.89 118.16 122.99 1vsy n LYS 5066Ca -0.01 -1.12 -0.21 0.00 -2.02 0.00 0.00 58.31 54.95 1vsy n LYS 5066Cb 0.43 -1.23 -0.17 0.00 -0.02 0.00 0.00 35.03 34.04 1vsy n LYS 5066CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1vsy s ILE 5067N -1.23 0.51 0.04 -0.18 1.01 -1.26 -1.73 121.20 118.36 1vsy s ILE 5067Ca 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.70 1vsy s ILE 5067Cb 0.11 -0.58 -0.02 0.00 0.01 0.00 0.00 42.46 41.98 1vsy s ILE 5067CO 0.21 0.24 0.02 0.68 0.00 0.00 0.00 174.94 176.09 1vsy s VAL 5068N 1.25 0.15 0.53 2.92 -7.23 -1.00 -5.03 120.40 111.98 1vsy s VAL 5068Ca -0.06 -1.22 -0.18 0.00 -1.81 0.00 0.00 61.98 58.71 1vsy s VAL 5068Cb -0.14 -0.86 -0.07 0.00 0.56 0.00 0.00 36.38 35.88 1vsy s VAL 5068CO -0.02 -0.67 1.02 -0.70 -0.31 0.00 0.00 175.10 174.41 1vsy s GLU 5069N -2.59 3.73 0.05 4.82 2.12 -1.26 -2.45 118.70 123.12 1vsy s GLU 5069Ca -0.05 1.15 0.00 0.00 0.36 0.00 0.00 54.97 56.43 1vsy s GLU 5069Cb -0.02 -2.10 0.00 0.00 0.26 0.00 0.00 34.13 32.28 1vsy s GLU 5069CO -0.05 -0.47 0.00 -0.89 -0.54 0.00 0.00 175.26 173.32 1vsy n ILE 5070N -1.49 0.49 -4.34 -3.70 5.41 0.16 -4.90 119.36 110.99 1vsy n ILE 5070Ca 0.08 0.16 -0.20 0.00 1.00 0.00 0.00 62.75 63.79 1vsy n ILE 5070Cb 0.53 -1.43 -0.08 0.00 -0.71 0.00 0.00 39.64 37.95 1vsy n ILE 5070CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1vsy s ASP 5071N -5.40 1.83 0.28 4.38 -1.08 -1.11 -4.61 116.67 110.97 1vsy s ASP 5071Ca 0.00 -1.70 0.20 0.00 -0.52 0.00 0.00 52.55 50.53 1vsy s ASP 5071Cb 0.00 0.52 1.03 0.00 -1.46 0.00 0.00 42.92 43.02 1vsy s ASP 5071CO 0.00 -1.00 1.62 -1.14 0.52 0.00 0.00 175.17 175.16 1vsy n ARG 5072N -0.67 0.14 -0.02 4.34 0.63 -1.26 -2.24 116.66 117.58 1vsy n ARG 5072Ca 0.03 0.57 0.03 0.00 -0.92 0.00 0.00 57.85 57.57 1vsy n ARG 5072Cb 0.63 -1.90 0.04 0.00 0.45 0.00 0.00 32.46 31.69 1vsy n ARG 5072CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 1vsy n HIS 5073N -2.18 0.04 -3.87 -0.14 1.44 -1.26 -0.72 115.22 108.54 1vsy n HIS 5073Ca -0.00 -0.08 -0.21 0.00 -2.01 0.00 0.00 57.72 55.42 1vsy n HIS 5073Cb 0.08 -0.01 -0.17 0.00 0.12 0.00 0.00 29.99 30.01 1vsy n HIS 5073CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1vsy s ILE 5074N -0.63 0.31 0.26 0.61 1.01 -0.95 -1.96 121.20 119.84 1vsy s ILE 5074Ca 0.09 0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.92 1vsy s ILE 5074Cb 0.06 -0.44 -0.05 0.00 0.01 0.00 0.00 42.46 42.04 1vsy s ILE 5074CO 0.09 0.22 -0.11 -0.83 0.00 0.00 0.00 174.94 174.31 1vsy s GLY 5075N 1.59 1.72 0.02 6.18 0.00 -0.37 -0.66 107.32 115.79 1vsy s GLY 5075Ca -0.01 -1.83 -0.05 0.00 0.00 0.00 0.00 44.72 42.83 1vsy s GLY 5075CO -0.03 -1.84 0.07 0.00 0.00 0.00 0.00 173.10 171.30 1vsy s ALA 5077N -1.68 2.76 -0.01 0.00 0.00 0.72 -2.39 121.76 121.16 1vsy s ALA 5077Ca -0.13 -1.36 0.04 0.00 0.00 0.00 0.00 51.96 50.51 1vsy s ALA 5077Cb -0.07 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 1vsy s ALA 5077CO -0.01 0.58 -0.12 0.00 0.00 0.00 0.00 175.76 176.21 1vsy s MET 5078N -2.27 1.00 -0.14 0.00 0.23 -0.71 -0.72 119.30 116.69 1vsy s MET 5078Ca 0.20 -0.46 0.02 0.00 -1.03 0.00 0.00 55.69 54.41 1vsy s MET 5078Cb -0.10 -0.97 0.01 0.00 -1.53 0.00 0.00 34.83 32.24 1vsy s MET 5078CO 0.11 0.26 -0.21 0.45 -2.03 0.00 0.00 175.02 173.61 1vsy s SER 5079N -0.34 3.16 0.00 -1.18 0.15 -1.23 -4.87 113.70 109.38 1vsy s SER 5079Ca 0.05 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.10 1vsy s SER 5079Cb -0.05 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.80 1vsy s SER 5079CO -0.00 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1vsy n GLY 5080N 4.11 0.43 3.58 9.45 0.00 -1.26 -3.56 105.19 117.93 1vsy n GLY 5080Ca -0.20 -1.89 -0.18 0.00 0.00 0.00 0.00 46.02 43.74 1vsy n GLY 5080CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vsy s LEU 5081N 0.00 2.58 0.56 0.99 1.43 -1.25 -4.76 118.68 118.23 1vsy s LEU 5081Ca 0.00 -1.09 0.28 0.00 -1.03 0.00 0.00 54.13 52.29 1vsy s LEU 5081Cb 0.00 -2.59 1.47 0.00 0.03 0.00 0.00 46.19 45.10 1vsy s LEU 5081CO 0.00 -4.26 1.96 0.00 0.23 0.00 0.00 176.35 174.28 1vsy h THR 5082N 6.63 0.54 0.00 5.49 1.03 -1.92 0.26 112.91 124.94 1vsy h THR 5082Ca 0.07 0.00 -0.06 0.00 -0.01 0.00 0.00 66.41 66.41 1vsy h THR 5082Cb 0.98 0.68 -0.01 0.00 -1.07 0.00 0.00 68.15 68.73 1vsy h THR 5082CO 1.07 0.00 -0.29 0.00 -0.01 0.00 0.00 175.52 176.29 1vsy h ALA 5083N 1.62 0.90 0.00 0.00 0.00 -1.98 -3.13 119.26 116.66 1vsy h ALA 5083Ca 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1vsy h ALA 5083Cb 1.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1vsy h ALA 5083CO -0.00 0.36 -0.34 -3.47 0.00 0.00 0.00 179.25 175.80 1vsy n ASP 5084N -3.29 0.34 -1.10 0.00 2.03 0.90 -3.52 116.55 111.92 1vsy n ASP 5084Ca 0.01 -0.01 0.11 0.00 0.52 0.00 0.00 54.79 55.43 1vsy n ASP 5084Cb 0.55 0.01 0.21 0.00 -0.72 0.00 0.00 41.12 41.16 1vsy n ASP 5084CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1vsy n ALA 5085N -1.50 2.40 -0.01 -1.67 0.00 -1.15 -4.41 120.51 114.16 1vsy n ALA 5085Ca 0.06 -1.00 -0.10 0.00 0.00 0.00 0.00 53.44 52.40 1vsy n ALA 5085Cb 0.34 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 1vsy n ALA 5085CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vsy h ARG 5086N 4.19 0.03 -0.24 0.00 2.47 -1.67 -1.99 114.38 117.16 1vsy h ARG 5086Ca 0.00 -0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.62 1vsy h ARG 5086Cb 0.95 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.24 1vsy h ARG 5086CO 0.00 0.02 -0.25 0.66 0.56 0.00 0.00 179.97 180.96 1vsy h SER 5087N 0.04 0.47 -0.53 7.04 4.64 -1.86 -1.72 113.55 121.62 1vsy h SER 5087Ca 0.06 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.18 1vsy h SER 5087Cb 0.07 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 1vsy h SER 5087CO -0.11 0.72 0.17 -0.03 -0.87 0.00 0.00 176.83 176.72 1vsy h MET 5088N 0.41 0.87 -0.00 4.77 -1.53 -1.72 -2.17 114.93 115.55 1vsy h MET 5088Ca 0.06 -0.16 -0.06 0.00 -3.44 0.00 0.00 59.70 56.10 1vsy h MET 5088Cb 0.67 -0.14 0.00 0.00 -0.55 0.00 0.00 31.60 31.58 1vsy h MET 5088CO 0.05 0.75 -0.23 0.82 0.14 0.00 0.00 176.91 178.44 1vsy h ILE 5089N 0.84 1.55 -0.84 1.77 1.08 -1.17 -2.92 117.51 117.82 1vsy h ILE 5089Ca 0.19 -1.94 0.21 0.00 -0.39 0.00 0.00 64.86 62.94 1vsy h ILE 5089Cb 0.25 2.77 -0.14 0.00 -3.07 0.00 0.00 36.82 36.64 1vsy h ILE 5089CO -0.01 0.53 0.20 -0.08 -0.69 0.00 0.00 178.15 178.10 1vsy h GLU 5090N -0.51 0.20 -0.17 2.37 4.57 -1.23 0.25 114.58 120.06 1vsy h GLU 5090Ca -0.03 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 1vsy h GLU 5090Cb 0.99 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.52 1vsy h GLU 5090CO 0.05 0.14 -0.26 1.25 -1.18 0.00 0.00 179.01 179.00 1vsy h HIS 5091N 0.21 0.35 -0.05 0.92 2.76 -1.40 -0.66 115.15 117.28 1vsy h HIS 5091Ca 0.51 -0.07 -0.19 0.00 -2.20 0.00 0.00 60.37 58.43 1vsy h HIS 5091Cb 0.99 -0.09 0.01 0.00 1.55 0.00 0.00 27.41 29.88 1vsy h HIS 5091CO -0.28 0.56 -0.69 0.00 -1.30 0.00 0.00 177.93 176.21 1vsy h ALA 5092N 1.44 0.16 -0.67 5.26 0.00 -0.44 -1.44 119.26 123.57 1vsy h ALA 5092Ca 0.04 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1vsy h ALA 5092Cb 0.62 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1vsy h ALA 5092CO 0.04 0.48 0.26 0.00 0.00 0.00 0.00 179.25 180.03 1vsy h ARG 5093N 0.17 1.01 -0.33 0.00 3.08 -0.75 -2.27 114.38 115.29 1vsy h ARG 5093Ca -0.07 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 59.71 1vsy h ARG 5093Cb 1.36 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 1vsy h ARG 5093CO 0.14 0.85 -0.12 1.15 -1.07 0.00 0.00 179.97 180.92 1vsy h THR 5094N 0.96 1.24 -0.02 2.04 2.02 -1.13 -2.74 112.91 115.28 1vsy h THR 5094Ca 0.22 -1.06 -0.16 0.00 0.77 0.00 0.00 66.41 66.19 1vsy h THR 5094Cb 0.22 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1vsy h THR 5094CO -0.02 0.35 -0.71 0.00 0.37 0.00 0.00 175.52 175.51 1vsy h ALA 5095N 1.35 0.78 0.00 6.16 0.00 -1.05 -2.21 119.26 124.29 1vsy h ALA 5095Ca 0.10 -0.63 -0.20 0.00 0.00 0.00 0.00 54.91 54.17 1vsy h ALA 5095Cb 0.51 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1vsy h ALA 5095CO 0.03 0.85 -0.96 0.00 0.00 0.00 0.00 179.25 179.17 1vsy h ALA 5096N 1.20 0.40 0.21 0.00 0.00 -1.22 -1.45 119.26 118.40 1vsy h ALA 5096Ca -0.01 -0.87 -0.35 0.00 0.00 0.00 0.00 54.91 53.68 1vsy h ALA 5096Cb 1.26 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.94 1vsy h ALA 5096CO 0.10 1.19 -1.65 0.28 0.00 0.00 0.00 179.25 179.17 1vsy h VAL 5097N 0.00 1.07 -0.63 0.00 2.07 -1.56 -2.89 116.25 114.31 1vsy h VAL 5097Ca -0.02 -2.59 0.04 0.00 0.82 0.00 0.00 66.70 64.95 1vsy h VAL 5097Cb 1.73 2.87 -0.04 0.00 -1.52 0.00 0.00 31.29 34.34 1vsy h VAL 5097CO 0.12 0.84 0.42 0.74 0.02 0.00 0.00 177.57 179.71 1vsy h THR 5098N 0.12 1.07 -0.19 2.57 2.02 -1.39 -0.22 112.91 116.89 1vsy h THR 5098Ca -0.31 -0.25 -0.19 0.00 0.77 0.00 0.00 66.41 66.43 1vsy h THR 5098Cb 2.13 0.28 0.01 0.00 -1.74 0.00 0.00 68.15 68.83 1vsy h THR 5098CO 0.22 0.13 -0.61 -0.74 0.37 0.00 0.00 175.52 174.89 1vsy h HIS 5099N 0.73 0.99 -0.35 3.16 6.17 -1.33 -2.36 115.15 122.16 1vsy h HIS 5099Ca 0.26 -0.40 -0.00 0.00 0.71 0.00 0.00 60.37 60.94 1vsy h HIS 5099Cb 0.11 -0.17 -0.02 0.00 2.52 0.00 0.00 27.41 29.85 1vsy h HIS 5099CO -0.00 1.21 0.21 -0.97 0.71 0.00 0.00 177.93 179.09 1vsy h ASN 5100N 0.48 0.40 0.16 3.26 -0.00 -1.04 -1.37 115.58 117.47 1vsy h ASN 5100Ca -0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 56.30 56.26 1vsy h ASN 5100Cb 1.23 -0.10 0.00 0.00 -0.00 0.00 0.00 38.32 39.45 1vsy h ASN 5100CO 0.13 0.31 -0.07 0.25 -0.00 0.00 0.00 177.43 178.05 1vsy h LEU 5101N 0.47 -0.18 -1.23 0.34 5.85 -1.05 0.25 115.31 119.76 1vsy h LEU 5101Ca 0.13 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1vsy h LEU 5101Cb -0.02 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1vsy h LEU 5101CO -0.02 0.38 0.00 1.88 -0.34 0.00 0.00 178.44 180.34 1vsy h TYR 5102N -0.86 0.00 0.00 1.25 -1.99 -1.25 -3.35 116.97 110.77 1vsy h TYR 5102Ca -0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1vsy h TYR 5102Cb 0.53 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.26 1vsy h TYR 5102CO 0.09 0.00 0.00 0.66 -0.00 0.00 0.00 178.16 178.91 1vsy n TYR 5103N -2.45 0.00 -3.62 4.88 4.01 -0.53 -5.06 117.16 114.39 1vsy n TYR 5103Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.51 1vsy n TYR 5103Cb 0.17 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.27 1vsy n TYR 5103CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1vsy n ASP 5104N 0.00 -5.11 -3.50 7.72 2.03 0.08 -4.97 116.55 112.80 1vsy n ASP 5104Ca 0.00 -0.60 -0.14 0.00 0.52 0.00 0.00 54.79 54.56 1vsy n ASP 5104Cb 0.20 -4.84 -0.04 0.00 -0.72 0.00 0.00 41.12 35.71 1vsy n ASP 5104CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1vsy s GLU 5105N -6.17 1.04 0.48 -0.67 -1.05 -1.25 -5.09 118.70 105.99 1vsy s GLU 5105Ca 0.46 -0.03 -0.23 0.00 -0.15 0.00 0.00 54.97 55.02 1vsy s GLU 5105Cb -0.21 0.49 -0.07 0.00 -0.44 0.00 0.00 34.13 33.90 1vsy s GLU 5105CO 0.75 -0.38 1.26 -0.51 0.95 0.00 0.00 175.26 177.32 1vsy s ASP 5106N -1.78 5.90 -0.01 0.83 1.01 -1.26 -3.91 116.67 117.45 1vsy s ASP 5106Ca -0.05 2.53 -0.23 0.00 0.71 0.00 0.00 52.55 55.52 1vsy s ASP 5106Cb -0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 1vsy s ASP 5106CO 0.00 -1.12 0.69 -0.51 0.21 0.00 0.00 175.17 174.45 1vsy s ILE 5107N -1.40 4.91 0.17 0.77 2.07 -1.26 -5.00 121.20 121.45 1vsy s ILE 5107Ca 0.65 1.45 -0.33 0.00 -1.41 0.00 0.00 60.65 61.01 1vsy s ILE 5107Cb -0.35 -4.04 -0.16 0.00 0.13 0.00 0.00 42.46 38.05 1vsy s ILE 5107CO 0.42 0.33 1.18 0.59 -1.91 0.00 0.00 174.94 175.56 1vsy n ASN 5108N 3.18 1.41 -0.07 4.50 5.03 -1.26 -4.76 115.26 123.28 1vsy n ASN 5108Ca -0.03 1.14 0.01 0.00 0.87 0.00 0.00 54.58 56.57 1vsy n ASN 5108Cb 0.51 -1.22 0.32 0.00 -1.02 0.00 0.00 39.78 38.37 1vsy n ASN 5108CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1vsy h VAL 5109N 2.72 1.16 -0.37 2.41 2.07 -1.95 0.97 116.25 123.27 1vsy h VAL 5109Ca -0.44 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 66.66 1vsy h VAL 5109Cb 1.34 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1vsy h VAL 5109CO 0.71 0.19 0.23 -0.08 0.02 0.00 0.00 177.57 178.63 1vsy h GLU 5110N 0.70 0.45 0.00 1.57 4.22 -1.98 -1.83 114.58 117.71 1vsy h GLU 5110Ca 0.18 -0.03 -0.16 0.00 0.08 0.00 0.00 59.36 59.43 1vsy h GLU 5110Cb 0.05 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1vsy h GLU 5110CO -0.03 0.30 -0.75 0.77 -2.18 0.00 0.00 179.01 177.12 1vsy h SER 5111N 0.47 0.00 -0.68 1.04 0.02 -1.71 -1.21 113.55 111.47 1vsy h SER 5111Ca 0.14 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.02 1vsy h SER 5111Cb -0.02 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1vsy h SER 5111CO -0.05 0.75 0.12 0.25 -1.14 0.00 0.00 176.83 176.76 1vsy h LEU 5112N 0.00 1.07 -0.01 5.07 7.12 -0.80 -2.06 115.31 125.70 1vsy h LEU 5112Ca -0.01 -0.25 -0.00 0.00 0.13 0.00 0.00 57.88 57.75 1vsy h LEU 5112Cb 1.56 -0.28 -0.00 0.00 -0.53 0.00 0.00 40.66 41.41 1vsy h LEU 5112CO 0.10 1.05 -0.00 0.74 -0.13 0.00 0.00 178.44 180.19 1vsy h THR 5113N 1.05 1.25 -0.26 1.05 2.02 -1.18 -2.97 112.91 113.87 1vsy h THR 5113Ca 0.21 -0.75 0.02 0.00 0.77 0.00 0.00 66.41 66.65 1vsy h THR 5113Cb 0.43 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1vsy h THR 5113CO 0.01 0.20 0.17 -0.61 0.37 0.00 0.00 175.52 175.66 1vsy h GLN 5114N -0.30 0.28 -0.24 6.66 5.75 -1.15 -1.53 115.11 124.58 1vsy h GLN 5114Ca 0.00 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.39 1vsy h GLN 5114Cb 0.32 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 1vsy h GLN 5114CO 0.00 0.19 -0.27 1.03 -2.65 0.00 0.00 178.83 177.13 1vsy h SER 5115N 0.29 0.47 0.22 -0.69 0.87 -1.29 0.26 113.55 113.68 1vsy h SER 5115Ca 0.10 -0.16 -0.16 0.00 -1.23 0.00 0.00 61.79 60.34 1vsy h SER 5115Cb 0.06 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1vsy h SER 5115CO -0.02 0.73 -0.61 0.58 -0.53 0.00 0.00 176.83 176.98 1vsy h VAL 5116N 0.41 1.36 -0.21 2.23 2.07 -1.14 -2.95 116.25 118.02 1vsy h VAL 5116Ca 0.06 -1.94 -0.18 0.00 0.82 0.00 0.00 66.70 65.45 1vsy h VAL 5116Cb 0.69 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1vsy h VAL 5116CO 0.05 0.59 -0.61 0.00 0.02 0.00 0.00 177.57 177.62 1vsy h ASP 5118N 0.52 0.00 0.06 0.00 3.32 -0.90 -2.21 116.42 117.21 1vsy h ASP 5118Ca -0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 1vsy h ASP 5118Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 1vsy h ASP 5118CO 0.12 0.00 -0.66 0.25 -1.72 0.00 0.00 179.24 177.23 1vsy h LEU 5119N 0.00 0.19 0.00 1.55 5.85 -1.33 -3.31 115.31 118.26 1vsy h LEU 5119Ca 0.00 -0.88 0.00 0.00 0.84 0.00 0.00 57.88 57.84 1vsy h LEU 5119Cb 0.12 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1vsy h LEU 5119CO 0.00 1.29 0.00 0.00 -0.34 0.00 0.00 178.44 179.39 1vsy n ALA 5120N -2.82 2.40 0.78 1.25 0.00 -1.05 -2.41 120.51 118.66 1vsy n ALA 5120Ca -0.17 -0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.24 1vsy n ALA 5120Cb 0.67 -1.31 0.27 0.00 0.00 0.00 0.00 19.45 19.08 1vsy n ALA 5120CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1vsy n LEU 5121N -0.88 2.28 -2.79 0.00 7.94 -0.86 -4.00 117.00 118.69 1vsy n LEU 5121Ca 0.14 -1.05 -0.34 0.00 -1.11 0.00 0.00 56.01 53.65 1vsy n LEU 5121Cb 0.07 -0.22 0.02 0.00 0.53 0.00 0.00 43.42 43.81 1vsy n LEU 5121CO 0.11 0.53 0.92 0.54 -1.11 0.00 0.00 177.39 178.38 1vsy n ARG 5122N 0.73 3.21 -3.26 1.96 1.74 -1.01 -5.00 116.66 115.04 1vsy n ARG 5122Ca 0.16 -4.06 -0.40 0.00 -0.77 0.00 0.00 57.85 52.78 1vsy n ARG 5122Cb 0.39 -2.27 -0.08 0.00 -1.02 0.00 0.00 32.46 29.48 1vsy n ARG 5122CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1vsy s PHE 5123N -3.85 3.27 0.00 -1.55 -0.12 -1.26 -4.04 117.98 110.43 1vsy s PHE 5123Ca 0.49 0.61 0.00 0.00 -0.05 0.00 0.00 56.93 57.98 1vsy s PHE 5123Cb 0.40 -2.70 0.00 0.00 -0.63 0.00 0.00 43.02 40.09 1vsy s PHE 5123CO -0.30 -0.27 0.00 0.41 -0.05 0.00 0.00 175.22 175.02 1vsy n GLY 5124N 4.42 2.53 0.00 1.99 0.00 -1.26 -4.98 105.19 107.88 1vsy n GLY 5124Ca -0.05 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1vsy n GLY 5124CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vsy n GLU 5125N -1.22 0.72 -3.18 1.61 1.02 -1.26 -4.32 120.64 114.02 1vsy n GLU 5125Ca 0.00 -0.87 0.02 0.00 -0.02 0.00 0.00 57.16 56.29 1vsy n GLU 5125Cb 0.00 -0.95 -0.01 0.00 -0.02 0.00 0.00 31.44 30.47 1vsy n GLU 5125CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1vsy s GLY 5126N -0.40 -1.27 -0.09 0.62 0.00 -1.26 -5.15 107.32 99.77 1vsy s GLY 5126Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.37 1vsy s GLY 5126CO 0.00 3.69 -0.07 0.00 0.00 0.00 0.00 173.10 176.73 1vsy s ALA 5127N 2.32 1.13 -0.01 3.20 0.00 -1.26 -5.10 121.76 122.04 1vsy s ALA 5127Ca 0.13 -0.39 0.03 0.00 0.00 0.00 0.00 51.96 51.73 1vsy s ALA 5127Cb -0.07 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 1vsy s ALA 5127CO -0.16 -0.28 -0.07 -1.54 0.00 0.00 0.00 175.76 173.71 1vsy s SER 5128N 1.47 4.60 0.00 0.00 1.04 -1.26 -4.51 113.70 115.04 1vsy s SER 5128Ca -0.00 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1vsy s SER 5128Cb -0.13 -1.08 0.00 0.00 0.10 0.00 0.00 66.02 64.91 1vsy s SER 5128CO -0.05 0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.08 1vsy n GLY 5129N 1.70 1.65 3.32 7.32 0.00 -1.26 -4.97 105.19 112.95 1vsy n GLY 5129Ca -0.16 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 1vsy n GLY 5129CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vsy s GLU 5130N 0.00 1.78 0.08 1.61 2.12 -1.26 -5.13 118.70 117.90 1vsy s GLU 5130Ca 0.00 -1.04 -0.26 0.00 0.36 0.00 0.00 54.97 54.03 1vsy s GLU 5130Cb 0.00 -1.90 -0.06 0.00 0.26 0.00 0.00 34.13 32.43 1vsy s GLU 5130CO 0.00 0.50 0.80 -2.00 -0.54 0.00 0.00 175.26 174.02 1vsy s GLU 5131N -1.09 4.55 -0.64 4.30 2.12 -1.26 -4.84 118.70 121.83 1vsy s GLU 5131Ca 0.11 1.16 -0.01 0.00 0.36 0.00 0.00 54.97 56.59 1vsy s GLU 5131Cb -0.10 -3.35 0.16 0.00 0.26 0.00 0.00 34.13 31.11 1vsy s GLU 5131CO 0.01 0.32 0.44 1.03 -0.54 0.00 0.00 175.26 176.53 1vsy s ARG 5132N -0.24 2.51 -0.60 4.30 0.52 -1.26 -5.07 118.95 119.11 1vsy s ARG 5132Ca 0.40 -2.70 -0.25 0.00 -0.52 0.00 0.00 55.73 52.66 1vsy s ARG 5132Cb -0.21 -3.64 0.05 0.00 0.52 0.00 0.00 34.95 31.66 1vsy s ARG 5132CO 0.25 -1.18 1.02 -1.17 0.02 0.00 0.00 175.30 174.24 1vsy s LEU 5133N -0.37 3.96 0.00 2.53 2.96 -1.26 -4.35 118.68 122.15 1vsy s LEU 5133Ca 0.19 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 1vsy s LEU 5133Cb -0.19 -2.74 0.00 0.00 0.50 0.00 0.00 46.19 43.76 1vsy s LEU 5133CO -0.04 -1.39 0.00 0.80 -1.32 0.00 0.00 176.35 174.40 1vsy n MET 5134N 7.90 -0.29 0.00 1.98 1.56 -1.26 -5.02 117.12 121.99 1vsy n MET 5134Ca 0.01 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.44 1vsy n MET 5134Cb 0.47 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.84 1vsy n MET 5134CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1vsy n SER 5135N 0.06 0.92 -4.15 6.12 3.41 -1.26 -4.51 113.62 114.21 1vsy n SER 5135Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1vsy n SER 5135Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1vsy n SER 5135CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vsy s ARG 5136N -1.80 0.79 0.52 4.33 1.70 -1.26 -4.14 118.95 119.08 1vsy s ARG 5136Ca 0.00 -1.15 -0.19 0.00 -0.47 0.00 0.00 55.73 53.92 1vsy s ARG 5136Cb 0.00 -0.38 -0.11 0.00 -0.57 0.00 0.00 34.95 33.89 1vsy s ARG 5136CO 0.00 0.04 0.33 -2.30 -1.08 0.00 0.00 175.30 172.29 1vsy n PRO 5137N 0.50 0.36 -2.42 3.89 -0.02 -1.26 -4.82 135.00 131.23 1vsy n PRO 5137Ca -0.16 0.14 -0.43 0.00 -2.02 0.00 0.00 63.50 61.03 1vsy n PRO 5137Cb 0.58 -1.44 -0.02 0.00 -0.02 0.00 0.00 33.50 32.60 1vsy n PRO 5137CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1vsy s PHE 5138N -1.76 2.56 -0.33 6.00 2.19 -1.26 -4.91 117.98 120.48 1vsy s PHE 5138Ca 0.64 0.74 -0.06 0.00 0.33 0.00 0.00 56.93 58.58 1vsy s PHE 5138Cb -0.50 -4.21 -0.19 0.00 -1.31 0.00 0.00 43.02 36.81 1vsy s PHE 5138CO 0.59 -1.76 3.06 0.41 1.83 0.00 0.00 175.22 179.34 1vsy n GLY 5139N 4.81 2.98 3.63 13.12 0.00 -1.26 -4.40 105.19 124.07 1vsy n GLY 5139Ca 0.15 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 1vsy n GLY 5139CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vsy s VAL 5140N 1.60 0.00 0.25 1.61 0.11 -1.26 -3.87 120.40 118.83 1vsy s VAL 5140Ca 0.58 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.61 1vsy s VAL 5140Cb 0.24 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 1vsy s VAL 5140CO -0.01 0.00 0.45 0.00 -3.33 0.00 0.00 175.10 172.21 1vsy s ALA 5141N 0.60 3.76 -0.01 1.54 0.00 -1.23 -4.18 121.76 122.23 1vsy s ALA 5141Ca -0.02 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.19 1vsy s ALA 5141Cb -0.05 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.99 1vsy s ALA 5141CO -0.03 0.31 -0.11 -0.51 0.00 0.00 0.00 175.76 175.42 1vsy s LEU 5142N -3.55 1.96 -0.32 0.00 1.43 -0.61 -3.50 118.68 114.09 1vsy s LEU 5142Ca 0.40 -0.21 -0.09 0.00 -1.03 0.00 0.00 54.13 53.20 1vsy s LEU 5142Cb -0.11 -0.61 0.01 0.00 0.03 0.00 0.00 46.19 45.51 1vsy s LEU 5142CO 0.30 0.12 0.14 -0.76 0.23 0.00 0.00 176.35 176.38 1vsy s LEU 5143N -0.14 4.13 -0.20 1.79 1.43 0.10 -1.14 118.68 124.66 1vsy s LEU 5143Ca 0.02 -0.69 -0.04 0.00 -1.03 0.00 0.00 54.13 52.39 1vsy s LEU 5143Cb -0.06 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 1vsy s LEU 5143CO -0.00 -0.23 -0.02 -0.63 0.23 0.00 0.00 176.35 175.70 1vsy s ILE 5144N 1.56 3.79 -0.03 -0.59 1.01 -0.50 -0.20 121.20 126.24 1vsy s ILE 5144Ca 0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 1vsy s ILE 5144Cb -0.18 -2.70 0.03 0.00 0.01 0.00 0.00 42.46 39.62 1vsy s ILE 5144CO 0.05 0.44 0.06 0.00 0.00 0.00 0.00 174.94 175.48 1vsy s ALA 5145N 1.00 0.00 0.00 9.38 0.00 0.27 -0.88 121.76 131.54 1vsy s ALA 5145Ca 0.01 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.36 1vsy s ALA 5145Cb -0.14 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1vsy s ALA 5145CO 0.01 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.06 1vsy n GLY 5146N 4.21 2.25 2.93 0.00 0.00 -1.04 -1.24 105.19 112.31 1vsy n GLY 5146Ca -0.27 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 1vsy n GLY 5146CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1vsy s HIS 5147N -4.63 -0.27 0.32 1.61 2.46 -0.83 -1.97 115.29 111.98 1vsy s HIS 5147Ca 0.00 0.72 0.08 0.00 0.47 0.00 0.00 55.06 56.33 1vsy s HIS 5147Cb 0.00 -0.12 -0.06 0.00 -0.13 0.00 0.00 32.58 32.27 1vsy s HIS 5147CO 0.00 -0.27 -0.08 0.16 -2.47 0.00 0.00 174.74 172.08 1vsy s ASP 5148N 1.96 3.36 0.00 9.88 1.47 -1.22 -4.93 116.67 127.20 1vsy s ASP 5148Ca -0.02 -1.20 0.27 0.00 1.18 0.00 0.00 52.55 52.78 1vsy s ASP 5148Cb -0.12 -0.28 0.88 0.00 -0.34 0.00 0.00 42.92 43.06 1vsy s ASP 5148CO -0.07 -0.26 1.65 0.00 0.68 0.00 0.00 175.17 177.16 1vsy n ALA 5149N -0.72 3.03 0.03 2.11 0.00 -1.26 -3.51 120.51 120.19 1vsy n ALA 5149Ca -0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 53.44 53.04 1vsy n ALA 5149Cb 0.64 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 1vsy n ALA 5149CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1vsy h ASP 5150N 0.67 -0.11 -2.94 0.00 3.32 -2.03 -3.42 116.42 111.92 1vsy h ASP 5150Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 1vsy h ASP 5150Cb 0.46 0.03 -0.37 0.00 0.22 0.00 0.00 39.33 39.67 1vsy h ASP 5150CO 0.00 0.13 -0.16 0.47 -1.72 0.00 0.00 179.24 177.95 1vsy n ASP 5151N -3.46 4.24 0.00 6.45 8.00 -1.25 -5.08 116.55 125.44 1vsy n ASP 5151Ca -0.02 -3.26 0.00 0.00 0.71 0.00 0.00 54.79 52.22 1vsy n ASP 5151Cb 0.05 -0.94 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 1vsy n ASP 5151CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vsy n GLY 5152N 1.74 0.00 3.80 0.44 0.00 -1.23 -4.56 105.19 105.38 1vsy n GLY 5152Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 1vsy n GLY 5152CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vsy s TYR 5153N 0.00 3.70 0.00 1.61 2.02 -1.26 -3.38 117.35 120.04 1vsy s TYR 5153Ca 0.00 1.53 -0.03 0.00 -0.37 0.00 0.00 57.07 58.21 1vsy s TYR 5153Cb 0.00 -2.72 -0.01 0.00 -0.40 0.00 0.00 41.96 38.83 1vsy s TYR 5153CO 0.00 0.33 0.04 -0.65 -1.57 0.00 0.00 175.55 173.70 1vsy s GLN 5154N -1.88 0.27 -0.02 -0.62 -0.21 -0.83 -5.00 119.66 111.37 1vsy s GLN 5154Ca 0.44 -0.32 0.03 0.00 0.02 0.00 0.00 55.36 55.53 1vsy s GLN 5154Cb -0.18 0.11 -0.00 0.00 1.00 0.00 0.00 33.01 33.93 1vsy s GLN 5154CO 0.22 -0.05 -0.12 -1.17 -2.12 0.00 0.00 175.29 172.06 1vsy s LEU 5155N -0.94 1.90 0.03 2.90 2.96 -1.26 -2.49 118.68 121.79 1vsy s LEU 5155Ca -0.10 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 1vsy s LEU 5155Cb -0.06 -0.65 -0.02 0.00 0.50 0.00 0.00 46.19 45.96 1vsy s LEU 5155CO 0.00 0.11 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.70 1vsy s PHE 5156N -0.01 0.73 -0.30 5.38 0.08 -0.06 -2.55 117.98 121.25 1vsy s PHE 5156Ca -0.00 -0.36 -0.02 0.00 0.12 0.00 0.00 56.93 56.67 1vsy s PHE 5156Cb -0.08 -0.44 0.05 0.00 -0.57 0.00 0.00 43.02 41.98 1vsy s PHE 5156CO 0.00 -0.04 0.01 -1.58 -0.10 0.00 0.00 175.22 173.52 1vsy s HIS 5157N -0.93 3.27 -0.23 0.36 5.65 -0.54 -1.41 115.29 121.47 1vsy s HIS 5157Ca -0.04 -1.88 -0.17 0.00 0.25 0.00 0.00 55.06 53.22 1vsy s HIS 5157Cb -0.07 -2.14 -0.03 0.00 -1.18 0.00 0.00 32.58 29.15 1vsy s HIS 5157CO 0.00 -0.81 0.46 0.00 -0.65 0.00 0.00 174.74 173.75 1vsy s ALA 5158N 1.25 3.57 0.17 1.58 0.00 -0.29 -3.18 121.76 124.87 1vsy s ALA 5158Ca -0.05 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.38 1vsy s ALA 5158Cb -0.20 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 1vsy s ALA 5158CO -0.01 -0.54 0.25 -1.21 0.00 0.00 0.00 175.76 174.24 1vsy s GLU 5159N 1.86 3.26 0.64 0.00 2.02 -0.86 -1.58 118.70 124.04 1vsy s GLU 5159Ca 0.20 -0.73 0.33 0.00 0.02 0.00 0.00 54.97 54.79 1vsy s GLU 5159Cb -0.15 -2.84 1.81 0.00 0.10 0.00 0.00 34.13 33.04 1vsy s GLU 5159CO 0.09 0.49 2.07 -1.35 0.02 0.00 0.00 175.26 176.58 1vsy h PRO 5160N 2.03 0.00 0.00 0.39 0.11 -1.77 -1.74 132.00 131.02 1vsy h PRO 5160Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1vsy h PRO 5160Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1vsy h PRO 5160CO 0.66 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.32 1vsy n SER 5161N -3.24 0.50 0.00 -2.05 3.41 -1.26 -4.11 113.62 106.87 1vsy n SER 5161Ca -0.00 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1vsy n SER 5161Cb 0.32 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 1vsy n SER 5161CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vsy n GLY 5162N 0.99 0.62 3.75 5.00 0.00 -0.65 -4.83 105.19 110.06 1vsy n GLY 5162Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 1vsy n GLY 5162CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vsy s THR 5163N -2.14 1.95 0.19 2.61 -4.23 -1.26 -4.55 115.64 108.21 1vsy s THR 5163Ca 0.00 -1.77 -0.19 0.00 -1.18 0.00 0.00 61.69 58.54 1vsy s THR 5163Cb 0.00 -2.73 0.04 0.00 1.34 0.00 0.00 72.50 71.15 1vsy s THR 5163CO 0.00 0.00 0.56 0.72 -0.54 0.00 0.00 174.62 175.36 1vsy s PHE 5164N -2.69 -0.25 0.12 3.99 -0.71 -1.26 -2.02 117.98 115.15 1vsy s PHE 5164Ca 0.33 -0.06 0.06 0.00 -1.04 0.00 0.00 56.93 56.21 1vsy s PHE 5164Cb 0.04 0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 1vsy s PHE 5164CO 0.18 -0.92 -0.14 0.71 -1.34 0.00 0.00 175.22 173.71 1vsy s TYR 5165N -3.84 1.40 -0.75 3.49 2.02 -1.19 -5.00 117.35 113.49 1vsy s TYR 5165Ca 0.07 -0.55 -0.10 0.00 -0.37 0.00 0.00 57.07 56.12 1vsy s TYR 5165Cb -0.01 -0.74 0.20 0.00 -0.40 0.00 0.00 41.96 41.01 1vsy s TYR 5165CO -0.05 0.14 0.64 0.50 -1.57 0.00 0.00 175.55 175.21 1vsy s ARG 5166N -2.60 3.20 0.45 -0.62 3.52 -1.26 -1.47 118.95 120.17 1vsy s ARG 5166Ca 0.08 -2.51 -0.23 0.00 -0.13 0.00 0.00 55.73 52.95 1vsy s ARG 5166Cb -0.05 -4.15 -0.08 0.00 -1.56 0.00 0.00 34.95 29.11 1vsy s ARG 5166CO 0.03 -1.25 1.11 0.71 -0.81 0.00 0.00 175.30 175.09 1vsy s TYR 5167N 0.04 3.01 -1.32 5.12 2.02 -1.06 -4.93 117.35 120.24 1vsy s TYR 5167Ca 0.18 1.58 0.28 0.00 -0.37 0.00 0.00 57.07 58.74 1vsy s TYR 5167Cb -0.14 -3.24 1.17 0.00 -0.40 0.00 0.00 41.96 39.34 1vsy s TYR 5167CO -0.07 -1.12 1.84 0.09 -1.57 0.00 0.00 175.55 174.73 1vsy n ASN 5168N -0.47 0.26 0.00 2.29 4.13 -1.26 -3.98 115.26 116.23 1vsy n ASN 5168Ca 0.07 -0.14 0.00 0.00 1.68 0.00 0.00 54.58 56.19 1vsy n ASN 5168Cb 0.49 -0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.55 1vsy n ASN 5168CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vsy n ALA 5169N -1.26 0.00 -2.81 5.41 0.00 -1.26 -2.69 120.51 117.89 1vsy n ALA 5169Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 1vsy n ALA 5169Cb 0.30 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.64 1vsy n ALA 5169CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1vsy s LYS 5170N 0.00 0.54 -0.04 0.00 2.47 -0.04 -4.93 119.74 117.74 1vsy s LYS 5170Ca 0.00 -0.79 0.03 0.00 -1.56 0.00 0.00 55.97 53.64 1vsy s LYS 5170Cb 0.00 -0.27 0.01 0.00 -1.46 0.00 0.00 37.83 36.10 1vsy s LYS 5170CO 0.00 0.04 -0.11 0.00 0.16 0.00 0.00 175.35 175.45 1vsy s ALA 5171N -1.55 1.03 0.09 3.13 0.00 -1.26 -0.85 121.76 122.35 1vsy s ALA 5171Ca -0.09 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.53 1vsy s ALA 5171Cb -0.09 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 1vsy s ALA 5171CO -0.00 0.14 -0.10 0.96 0.00 0.00 0.00 175.76 176.76 1vsy s ILE 5172N 0.32 0.90 0.00 0.00 -4.36 -0.60 -4.67 121.20 112.79 1vsy s ILE 5172Ca -0.06 -1.60 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 1vsy s ILE 5172Cb -0.11 -1.31 0.00 0.00 1.25 0.00 0.00 42.46 42.29 1vsy s ILE 5172CO 0.01 -0.55 0.00 0.61 0.24 0.00 0.00 174.94 175.26 1vsy n GLY 5173N 0.63 -3.07 0.24 6.27 0.00 -1.14 -1.07 105.19 107.05 1vsy n GLY 5173Ca -0.17 -2.14 0.21 0.00 0.00 0.00 0.00 46.02 43.92 1vsy n GLY 5173CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vsy n SER 5174N 0.00 0.17 0.02 1.61 3.41 -0.88 0.27 113.62 118.21 1vsy n SER 5174Ca 0.00 1.24 0.11 0.00 -0.26 0.00 0.00 58.87 59.96 1vsy n SER 5174Cb 0.00 -0.57 0.05 0.00 -0.26 0.00 0.00 64.21 63.43 1vsy n SER 5174CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vsy n GLY 5175N -1.24 -1.18 0.34 5.00 0.00 -1.26 -4.76 105.19 102.09 1vsy n GLY 5175Ca 0.25 -0.43 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 1vsy n GLY 5175CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vsy n SER 5176N -1.78 -0.71 -0.35 1.61 3.41 0.14 -0.67 113.62 115.28 1vsy n SER 5176Ca 0.03 1.51 0.23 0.00 -0.26 0.00 0.00 58.87 60.38 1vsy n SER 5176Cb 0.40 -0.28 0.47 0.00 -0.26 0.00 0.00 64.21 64.54 1vsy n SER 5176CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1vsy h GLU 5177N 0.00 0.40 0.05 4.33 9.09 -1.86 0.52 114.58 127.12 1vsy h GLU 5177Ca 0.23 -0.02 -0.23 0.00 0.05 0.00 0.00 59.36 59.38 1vsy h GLU 5177Cb 0.44 -0.09 -0.02 0.00 -1.65 0.00 0.00 28.75 27.43 1vsy h GLU 5177CO -0.83 0.27 -1.25 0.78 0.05 0.00 0.00 179.01 178.03 1vsy h GLY 5178N 0.42 0.13 0.70 1.06 0.00 -1.26 -3.20 103.07 100.91 1vsy h GLY 5178Ca 0.66 -0.33 0.09 0.00 0.00 0.00 0.00 47.33 47.74 1vsy h GLY 5178CO -0.43 0.29 0.61 0.00 0.00 0.00 0.00 176.54 177.01 1vsy h ALA 5179N -0.22 1.52 -0.46 3.60 0.00 -0.96 -2.48 119.26 120.27 1vsy h ALA 5179Ca -0.30 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1vsy h ALA 5179Cb 1.51 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1vsy h ALA 5179CO -0.06 0.30 0.02 0.37 0.00 0.00 0.00 179.25 179.88 1vsy h GLN 5180N 1.02 0.80 0.00 0.00 5.75 -0.11 -1.27 115.11 121.30 1vsy h GLN 5180Ca 0.43 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 1vsy h GLN 5180Cb 0.31 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.79 1vsy h GLN 5180CO -0.19 0.84 0.00 0.00 -2.65 0.00 0.00 178.83 176.84 1vsy n ALA 5181N -2.42 1.70 -0.01 3.38 0.00 -1.06 -1.39 120.51 120.72 1vsy n ALA 5181Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1vsy n ALA 5181Cb 0.29 -1.30 -0.14 0.00 0.00 0.00 0.00 19.45 18.30 1vsy n ALA 5181CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1vsy n GLU 5182N -1.76 0.71 0.01 0.00 4.07 -0.79 -3.62 120.64 119.25 1vsy n GLU 5182Ca 0.03 0.27 -0.07 0.00 -0.06 0.00 0.00 57.16 57.34 1vsy n GLU 5182Cb 0.20 -1.74 0.11 0.00 -0.06 0.00 0.00 31.44 29.96 1vsy n GLU 5182CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1vsy h LEU 5183N 0.04 0.55 -2.29 4.31 3.38 -0.95 -1.90 115.31 118.44 1vsy h LEU 5183Ca -0.37 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 1vsy h LEU 5183Cb 2.03 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.62 1vsy h LEU 5183CO 0.08 0.91 -0.04 0.25 0.09 0.00 0.00 178.44 179.72 1vsy h LEU 5184N 0.42 0.00 0.11 1.67 5.85 -1.36 -2.31 115.31 119.70 1vsy h LEU 5184Ca 0.03 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.44 1vsy h LEU 5184Cb 0.92 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1vsy h LEU 5184CO 0.08 0.04 -1.65 0.78 -0.34 0.00 0.00 178.44 177.35 1vsy h ASN 5185N 0.00 0.38 -0.31 1.25 4.21 -1.51 -3.41 115.58 116.19 1vsy h ASN 5185Ca -0.00 -0.86 0.00 0.00 1.21 0.00 0.00 56.30 56.65 1vsy h ASN 5185Cb 0.12 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1vsy h ASN 5185CO 0.01 1.71 0.00 -0.62 -1.29 0.00 0.00 177.43 177.24 1vsy n GLU 5186N -3.79 2.34 -3.64 0.81 1.02 -0.76 -4.95 120.64 111.68 1vsy n GLU 5186Ca -0.28 -2.14 -0.37 0.00 -0.02 0.00 0.00 57.16 54.35 1vsy n GLU 5186Cb 0.95 -1.47 -0.07 0.00 -0.02 0.00 0.00 31.44 30.84 1vsy n GLU 5186CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1vsy s TRP 5187N -1.47 3.53 0.13 -0.32 -0.00 -0.89 -5.05 118.94 114.87 1vsy s TRP 5187Ca 0.34 0.61 0.05 0.00 -0.00 0.00 0.00 56.10 57.10 1vsy s TRP 5187Cb 0.21 -2.21 -0.04 0.00 -0.00 0.00 0.00 33.47 31.42 1vsy s TRP 5187CO 0.29 0.43 -0.11 -3.38 -0.00 0.00 0.00 176.95 174.18 1vsy s HIS 5188N -0.15 1.24 -2.00 5.86 -3.43 -1.26 -5.01 115.29 110.54 1vsy s HIS 5188Ca 0.16 -0.71 0.06 0.00 -0.80 0.00 0.00 55.06 53.77 1vsy s HIS 5188Cb -0.13 -0.64 0.35 0.00 -1.43 0.00 0.00 32.58 30.73 1vsy s HIS 5188CO 0.05 0.08 0.75 -1.13 -2.00 0.00 0.00 174.74 172.48 1vsy n SER 5189N 0.05 0.00 -1.75 7.38 3.41 -1.26 -2.99 113.62 118.46 1vsy n SER 5189Ca -0.12 -0.33 -0.01 0.00 -0.26 0.00 0.00 58.87 58.15 1vsy n SER 5189Cb 0.60 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.61 1vsy n SER 5189CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1vsy n SER 5190N -0.86 1.88 -4.79 4.04 3.41 -1.26 -4.83 113.62 111.21 1vsy n SER 5190Ca 0.04 -2.66 -0.33 0.00 -0.26 0.00 0.00 58.87 55.67 1vsy n SER 5190Cb 0.02 -0.40 0.02 0.00 -0.26 0.00 0.00 64.21 63.59 1vsy n SER 5190CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1vsy s LEU 5191N -2.22 3.52 0.15 1.04 1.02 -1.16 -5.04 118.68 116.00 1vsy s LEU 5191Ca 0.35 1.93 0.05 0.00 0.02 0.00 0.00 54.13 56.48 1vsy s LEU 5191Cb 0.37 -4.55 -0.04 0.00 0.02 0.00 0.00 46.19 41.99 1vsy s LEU 5191CO -0.08 -1.30 0.14 0.42 0.02 0.00 0.00 176.35 175.55 1vsy s THR 5192N -2.29 4.54 0.22 5.49 -4.23 -1.26 -4.14 115.64 113.97 1vsy s THR 5192Ca 0.66 -1.03 -0.08 0.00 -1.18 0.00 0.00 61.69 60.07 1vsy s THR 5192Cb -0.19 -3.30 0.17 0.00 1.34 0.00 0.00 72.50 70.52 1vsy s THR 5192CO 0.36 -0.08 1.82 0.25 -0.54 0.00 0.00 174.62 176.42 1vsy h LEU 5193N 2.49 0.63 -0.42 4.79 5.85 -1.93 -1.01 115.31 125.71 1vsy h LEU 5193Ca -0.48 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.35 1vsy h LEU 5193Cb 1.20 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 42.06 1vsy h LEU 5193CO 0.64 0.40 -0.02 0.11 -0.34 0.00 0.00 178.44 179.23 1vsy h LYS 5194N 0.77 0.08 -0.63 1.25 1.79 -1.96 -0.08 116.57 117.79 1vsy h LYS 5194Ca 0.33 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.79 1vsy h LYS 5194Cb 0.20 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.80 1vsy h LYS 5194CO -0.19 0.05 0.37 0.93 -1.08 0.00 0.00 179.45 179.54 1vsy h GLU 5195N 0.08 0.85 0.07 3.15 5.08 -1.61 -3.04 114.58 119.16 1vsy h GLU 5195Ca 0.21 -0.07 -0.28 0.00 -1.00 0.00 0.00 59.36 58.21 1vsy h GLU 5195Cb 0.30 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1vsy h GLU 5195CO -0.37 0.60 -1.44 0.00 -1.00 0.00 0.00 179.01 176.81 1vsy h ALA 5196N 1.54 0.38 -0.90 3.43 0.00 -0.92 -2.36 119.26 120.43 1vsy h ALA 5196Ca 0.23 -1.13 0.25 0.00 0.00 0.00 0.00 54.91 54.25 1vsy h ALA 5196Cb -0.02 0.22 -0.14 0.00 0.00 0.00 0.00 17.79 17.85 1vsy h ALA 5196CO -0.04 1.25 0.34 0.93 0.00 0.00 0.00 179.25 181.72 1vsy h GLU 5197N 0.04 0.27 0.11 0.00 5.08 -0.91 -2.01 114.58 117.16 1vsy h GLU 5197Ca -0.20 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 57.99 1vsy h GLU 5197Cb 1.96 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 31.17 1vsy h GLU 5197CO 0.14 0.18 -0.70 -0.07 -1.00 0.00 0.00 179.01 177.56 1vsy h LEU 5198N 0.28 0.42 -2.08 1.33 4.07 -1.50 -3.27 115.31 114.57 1vsy h LEU 5198Ca 0.59 -0.93 0.08 0.00 0.08 0.00 0.00 57.88 57.69 1vsy h LEU 5198Cb 1.20 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 1vsy h LEU 5198CO -0.61 1.32 0.21 0.25 -1.08 0.00 0.00 178.44 178.53 1vsy h LEU 5199N -0.40 0.00 -0.73 1.67 5.85 -1.09 0.83 115.31 121.44 1vsy h LEU 5199Ca -0.12 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.48 1vsy h LEU 5199Cb 1.53 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1vsy h LEU 5199CO 0.13 0.00 -0.37 0.58 -0.34 0.00 0.00 178.44 178.44 1vsy h VAL 5200N 0.00 1.29 0.01 1.05 2.07 -1.42 -2.45 116.25 116.81 1vsy h VAL 5200Ca 0.13 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.13 1vsy h VAL 5200Cb 0.55 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1vsy h VAL 5200CO -0.00 0.48 -0.01 -0.07 0.02 0.00 0.00 177.57 177.99 1vsy h LEU 5201N 0.45 -0.02 -1.34 2.57 -0.00 -0.96 -2.44 115.31 113.59 1vsy h LEU 5201Ca 0.04 -0.54 0.22 0.00 -0.00 0.00 0.00 57.88 57.60 1vsy h LEU 5201Cb 0.86 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.44 1vsy h LEU 5201CO 0.07 0.54 0.63 0.50 -0.00 0.00 0.00 178.44 180.18 1vsy h LYS 5202N -0.58 0.48 0.00 1.13 3.64 -1.10 0.35 116.57 120.49 1vsy h LYS 5202Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1vsy h LYS 5202Cb 0.56 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1vsy h LYS 5202CO 0.00 0.32 -0.52 0.82 -2.27 0.00 0.00 179.45 177.81 1vsy h ILE 5203N 0.50 0.00 0.22 2.00 2.04 -1.46 -2.36 117.51 118.44 1vsy h ILE 5203Ca 0.54 -0.51 -0.33 0.00 1.00 0.00 0.00 64.86 65.55 1vsy h ILE 5203Cb 1.21 1.17 0.03 0.00 -0.74 0.00 0.00 36.82 38.48 1vsy h ILE 5203CO -0.27 0.00 -1.50 -0.07 0.00 0.00 0.00 178.15 176.31 1vsy h LEU 5204N 0.00 0.72 0.19 1.44 3.38 -0.24 -3.19 115.31 117.62 1vsy h LEU 5204Ca 0.00 -0.83 0.01 0.00 0.09 0.00 0.00 57.88 57.15 1vsy h LEU 5204Cb 0.76 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1vsy h LEU 5204CO 0.00 1.66 -0.31 0.50 0.09 0.00 0.00 178.44 180.38 1vsy h LYS 5205N 0.13 -0.55 0.00 1.13 3.64 -0.43 -3.09 116.57 117.39 1vsy h LYS 5205Ca -0.26 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1vsy h LYS 5205Cb 2.13 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 34.07 1vsy h LYS 5205CO 0.24 -0.37 0.00 1.04 -2.27 0.00 0.00 179.45 178.09 1vsy n GLN 5206N -5.42 0.00 -0.84 1.90 6.02 -0.89 -2.91 117.38 115.24 1vsy n GLN 5206Ca -0.08 0.25 -0.16 0.00 -0.01 0.00 0.00 57.00 57.00 1vsy n GLN 5206Cb 0.32 -0.91 -0.09 0.00 1.02 0.00 0.00 30.24 30.58 1vsy n GLN 5206CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1vsy n VAL 5207N -0.66 2.62 -0.94 5.09 0.24 -1.20 -0.52 118.33 122.95 1vsy n VAL 5207Ca 0.00 -1.43 0.00 0.00 -2.04 0.00 0.00 64.34 60.87 1vsy n VAL 5207Cb 0.00 -2.05 0.00 0.00 -1.47 0.00 0.00 33.84 30.32 1vsy n VAL 5207CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1vsy n MET 5208N 3.11 0.00 -3.70 7.34 2.81 -1.15 -4.66 117.12 120.87 1vsy n MET 5208Ca 0.42 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 56.10 1vsy n MET 5208Cb 0.50 -0.19 -0.02 0.00 -0.71 0.00 0.00 33.22 32.80 1vsy n MET 5208CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1vsy n GLU 5209N 0.00 -0.79 -3.72 0.03 0.28 0.32 -4.91 120.64 111.84 1vsy n GLU 5209Ca 0.00 -0.07 -0.09 0.00 -0.16 0.00 0.00 57.16 56.84 1vsy n GLU 5209Cb 0.15 -1.48 -0.03 0.00 1.43 0.00 0.00 31.44 31.51 1vsy n GLU 5209CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1vsy s GLU 5210N -5.86 1.46 -0.13 3.44 2.12 -1.25 -5.12 118.70 113.37 1vsy s GLU 5210Ca 0.13 -0.84 -0.16 0.00 0.36 0.00 0.00 54.97 54.45 1vsy s GLU 5210Cb -0.07 0.55 -0.04 0.00 0.26 0.00 0.00 34.13 34.83 1vsy s GLU 5210CO 0.54 -0.64 0.39 0.21 -0.54 0.00 0.00 175.26 175.23 1vsy s LYS 5211N -3.87 4.27 0.11 4.30 2.20 -1.26 -4.76 119.74 120.74 1vsy s LYS 5211Ca 0.09 0.29 0.06 0.00 -0.36 0.00 0.00 55.97 56.04 1vsy s LYS 5211Cb -0.02 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 1vsy s LYS 5211CO -0.02 0.23 -0.01 -0.48 -0.36 0.00 0.00 175.35 174.72 1vsy s LEU 5212N 0.44 3.40 0.00 5.43 0.05 -1.26 -5.10 118.68 121.64 1vsy s LEU 5212Ca 0.22 -0.25 0.00 0.00 0.05 0.00 0.00 54.13 54.15 1vsy s LEU 5212Cb -0.14 -2.12 0.00 0.00 -2.05 0.00 0.00 46.19 41.88 1vsy s LEU 5212CO 0.08 0.15 0.00 -0.90 -0.55 0.00 0.00 176.35 175.13 1vsy n ASP 5213N 0.39 0.00 -0.02 1.48 3.85 -1.26 -5.04 116.55 115.95 1vsy n ASP 5213Ca -0.11 -0.94 0.15 0.00 -0.71 0.00 0.00 54.79 53.18 1vsy n ASP 5213Cb 0.53 0.00 0.80 0.00 -1.35 0.00 0.00 41.12 41.10 1vsy n ASP 5213CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1vsy n GLU 5214N 0.00 0.64 0.00 0.11 0.00 -1.26 -2.31 120.64 117.82 1vsy n GLU 5214Ca 0.00 -0.03 0.13 0.00 0.00 0.00 0.00 57.16 57.26 1vsy n GLU 5214Cb 0.00 -1.50 0.42 0.00 0.00 0.00 0.00 31.44 30.36 1vsy n GLU 5214CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1vsy n ASN 5215N -1.15 0.70 0.00 -1.84 5.15 -1.26 -4.27 115.26 112.59 1vsy n ASN 5215Ca 0.17 -0.58 0.00 0.00 -0.60 0.00 0.00 54.58 53.57 1vsy n ASN 5215Cb 0.21 0.07 0.00 0.00 -0.53 0.00 0.00 39.78 39.53 1vsy n ASN 5215CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1vsy n ASN 5216N -0.97 0.25 -3.96 1.20 0.23 -1.14 -3.19 115.26 107.68 1vsy n ASN 5216Ca 0.11 -1.03 -0.14 0.00 -0.53 0.00 0.00 54.58 52.99 1vsy n ASN 5216Cb 0.33 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.89 1vsy n ASN 5216CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vsy s ALA 5217N -0.03 0.37 -0.06 -2.53 0.00 -0.98 0.23 121.76 118.77 1vsy s ALA 5217Ca 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.68 1vsy s ALA 5217Cb 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1vsy s ALA 5217CO 0.00 0.05 -0.14 -1.14 0.00 0.00 0.00 175.76 174.53 1vsy s GLN 5218N -0.46 1.81 0.01 0.00 0.74 -1.21 -4.59 119.66 115.96 1vsy s GLN 5218Ca -0.02 -0.49 0.06 0.00 0.05 0.00 0.00 55.36 54.97 1vsy s GLN 5218Cb -0.04 -1.49 -0.03 0.00 1.10 0.00 0.00 33.01 32.55 1vsy s GLN 5218CO -0.00 0.08 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.13 1vsy s LEU 5219N 0.50 2.58 0.07 3.68 1.43 -1.26 -2.54 118.68 123.13 1vsy s LEU 5219Ca -0.13 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.53 1vsy s LEU 5219Cb -0.15 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 1vsy s LEU 5219CO 0.04 0.29 0.16 -0.94 0.23 0.00 0.00 176.35 176.13 1vsy s SER 5220N -1.17 0.15 0.18 2.29 1.04 -0.30 0.18 113.70 116.07 1vsy s SER 5220Ca 0.13 -0.64 -0.11 0.00 0.48 0.00 0.00 55.95 55.81 1vsy s SER 5220Cb -0.10 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1vsy s SER 5220CO 0.03 -0.68 0.35 0.00 0.98 0.00 0.00 173.24 173.93 1vsy s ILE 5222N -3.95 0.22 0.16 0.00 1.10 -0.20 -2.41 121.20 116.12 1vsy s ILE 5222Ca 0.15 -0.50 0.04 0.00 -0.51 0.00 0.00 60.65 59.83 1vsy s ILE 5222Cb 0.02 -0.89 -0.04 0.00 0.15 0.00 0.00 42.46 41.70 1vsy s ILE 5222CO -0.00 -0.35 0.23 0.42 -2.11 0.00 0.00 174.94 173.12 1vsy s THR 5223N 1.99 4.99 0.15 4.00 -4.23 -0.55 -2.45 115.64 119.55 1vsy s THR 5223Ca 0.03 -0.86 -0.17 0.00 -1.18 0.00 0.00 61.69 59.51 1vsy s THR 5223Cb -0.16 -3.57 0.01 0.00 1.34 0.00 0.00 72.50 70.11 1vsy s THR 5223CO -0.14 -0.11 1.77 0.50 -0.54 0.00 0.00 174.62 176.10 1vsy h LYS 5224N 2.19 0.32 0.12 3.99 3.64 -1.88 -2.59 116.57 122.36 1vsy h LYS 5224Ca -0.48 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 1vsy h LYS 5224Cb 1.20 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1vsy h LYS 5224CO 0.66 0.21 -0.06 0.37 -2.27 0.00 0.00 179.45 178.37 1vsy h GLN 5225N 0.33 -0.15 -0.00 1.90 4.15 -1.98 -3.36 115.11 116.00 1vsy h GLN 5225Ca 0.15 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1vsy h GLN 5225Cb 0.07 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.80 1vsy h GLN 5225CO -0.11 -0.10 -0.10 -0.25 -1.93 0.00 0.00 178.83 176.33 1vsy n ASP 5226N -2.60 0.14 0.00 -0.69 8.00 -1.25 -5.03 116.55 115.11 1vsy n ASP 5226Ca -0.02 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1vsy n ASP 5226Cb 0.06 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 1vsy n ASP 5226CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vsy n GLY 5227N 1.45 -0.05 3.16 0.44 0.00 -0.97 -4.75 105.19 104.46 1vsy n GLY 5227Ca 0.08 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.29 1vsy n GLY 5227CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1vsy s PHE 5228N 0.00 3.50 0.07 1.61 5.36 0.10 -1.48 117.98 127.15 1vsy s PHE 5228Ca 0.00 -2.18 0.04 0.00 -0.96 0.00 0.00 56.93 53.84 1vsy s PHE 5228Cb 0.00 -3.08 -0.04 0.00 -0.34 0.00 0.00 43.02 39.56 1vsy s PHE 5228CO 0.00 -0.94 -0.01 0.15 -1.46 0.00 0.00 175.22 172.96 1vsy s LYS 5229N 1.21 2.54 -0.26 10.12 1.02 -1.01 -4.99 119.74 128.38 1vsy s LYS 5229Ca 0.06 -0.82 -0.09 0.00 0.02 0.00 0.00 55.97 55.14 1vsy s LYS 5229Cb -0.23 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.50 1vsy s LYS 5229CO -0.03 0.55 0.14 0.42 -0.92 0.00 0.00 175.35 175.51 1vsy s ILE 5230N -1.25 4.93 0.06 2.17 1.01 -1.26 -2.36 121.20 124.50 1vsy s ILE 5230Ca 0.24 0.04 -0.33 0.00 0.00 0.00 0.00 60.65 60.60 1vsy s ILE 5230Cb -0.12 -3.32 -0.12 0.00 0.01 0.00 0.00 42.46 38.91 1vsy s ILE 5230CO 0.16 0.30 1.77 -1.22 0.00 0.00 0.00 174.94 175.95 1vsy n TYR 5231N 4.84 2.40 -1.36 3.97 4.02 0.13 -4.97 117.16 126.19 1vsy n TYR 5231Ca -0.15 0.04 -0.31 0.00 -0.01 0.00 0.00 57.90 57.47 1vsy n TYR 5231Cb 0.52 -2.65 0.09 0.00 -0.02 0.00 0.00 39.34 37.28 1vsy n TYR 5231CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1vsy s ASP 5232N 2.61 4.62 0.48 7.72 -4.77 -1.26 -4.50 116.67 121.56 1vsy s ASP 5232Ca 0.85 1.69 0.21 0.00 -3.30 0.00 0.00 52.55 52.00 1vsy s ASP 5232Cb -0.62 -2.44 1.24 0.00 -1.09 0.00 0.00 42.92 40.01 1vsy s ASP 5232CO 0.43 -1.94 1.97 0.78 0.70 0.00 0.00 175.17 177.10 1vsy h ASN 5233N -1.07 0.17 0.11 2.11 -0.26 -1.94 -1.39 115.58 113.32 1vsy h ASN 5233Ca -0.44 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.30 1vsy h ASN 5233Cb 1.23 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.47 1vsy h ASN 5233CO 0.54 0.09 -0.05 -0.33 -1.06 0.00 0.00 177.43 176.62 1vsy h GLU 5234N 0.19 -0.14 -0.45 0.81 3.07 -2.00 -2.76 114.58 113.30 1vsy h GLU 5234Ca 0.29 0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 59.07 1vsy h GLU 5234Cb 0.90 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.82 1vsy h GLU 5234CO -0.05 -0.02 -0.10 -0.22 -1.40 0.00 0.00 179.01 177.22 1vsy h LYS 5235N -0.22 0.80 0.00 2.33 3.64 -1.62 -1.65 116.57 119.85 1vsy h LYS 5235Ca -0.01 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1vsy h LYS 5235Cb 0.18 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1vsy h LYS 5235CO 0.02 0.88 -0.02 1.15 -2.27 0.00 0.00 179.45 179.21 1vsy h THR 5236N 0.73 0.12 0.01 1.00 2.02 -1.46 -2.71 112.91 112.61 1vsy h THR 5236Ca 0.12 -0.19 -0.13 0.00 0.77 0.00 0.00 66.41 66.99 1vsy h THR 5236Cb 0.59 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 1vsy h THR 5236CO 0.04 0.02 -0.67 0.00 0.37 0.00 0.00 175.52 175.27 1vsy h ALA 5237N 1.98 0.13 0.00 6.16 0.00 -1.00 -2.59 119.26 123.94 1vsy h ALA 5237Ca -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1vsy h ALA 5237Cb 0.16 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1vsy h ALA 5237CO 0.00 0.38 0.00 0.39 0.00 0.00 0.00 179.25 180.02 1vsy n GLU 5238N -4.48 0.90 -0.03 0.00 4.71 -1.11 0.96 120.64 121.59 1vsy n GLU 5238Ca -0.21 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 56.81 1vsy n GLU 5238Cb 0.60 -1.29 -0.14 0.00 -1.01 0.00 0.00 31.44 29.61 1vsy n GLU 5238CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1vsy n LEU 5239N -0.79 1.39 -0.03 -4.62 4.77 -1.03 -3.34 117.00 113.35 1vsy n LEU 5239Ca 0.12 0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 56.25 1vsy n LEU 5239Cb 0.06 -0.22 -0.11 0.00 -2.33 0.00 0.00 43.42 40.82 1vsy n LEU 5239CO 0.09 0.56 0.52 0.40 -1.33 0.00 0.00 177.39 177.64 1vsy h ILE 5240N 0.02 1.53 -1.00 -0.08 2.04 -0.50 -3.13 117.51 116.39 1vsy h ILE 5240Ca -0.37 -1.63 0.18 0.00 1.00 0.00 0.00 64.86 64.04 1vsy h ILE 5240Cb 2.04 2.60 -0.10 0.00 -0.74 0.00 0.00 36.82 40.62 1vsy h ILE 5240CO 0.07 0.43 0.62 0.50 0.00 0.00 0.00 178.15 179.76 1vsy h LYS 5241N -0.60 0.74 0.00 2.37 3.64 0.39 0.72 116.57 123.83 1vsy h LYS 5241Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1vsy h LYS 5241Cb 0.73 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1vsy h LYS 5241CO 0.01 0.49 0.00 -1.91 -2.27 0.00 0.00 179.45 175.77 1vsy n GLU 5242N -4.73 0.14 -0.07 1.90 2.13 -1.20 -2.32 120.64 116.48 1vsy n GLU 5242Ca 0.23 0.41 -0.20 0.00 0.66 0.00 0.00 57.16 58.25 1vsy n GLU 5242Cb 0.56 -1.78 -0.13 0.00 0.27 0.00 0.00 31.44 30.36 1vsy n GLU 5242CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1vsy n LEU 5243N -2.04 2.76 -0.35 4.31 7.94 0.15 -2.82 117.00 126.95 1vsy n LEU 5243Ca 0.02 0.04 0.31 0.00 -1.11 0.00 0.00 56.01 55.27 1vsy n LEU 5243Cb 0.19 -1.00 0.63 0.00 0.53 0.00 0.00 43.42 43.77 1vsy n LEU 5243CO 0.17 0.87 1.27 0.50 -1.11 0.00 0.00 177.39 179.09 1vsy h LYS 5244N -0.04 0.18 0.00 1.96 1.63 -0.88 -1.12 116.57 118.30 1vsy h LYS 5244Ca -0.51 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.26 1vsy h LYS 5244Cb 1.93 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 33.51 1vsy h LYS 5244CO -0.03 0.12 -0.19 0.93 -3.45 0.00 0.00 179.45 176.83 1vsy h GLU 5245N 0.19 0.00 -0.94 1.90 5.08 -1.65 -3.23 114.58 115.93 1vsy h GLU 5245Ca 0.63 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 59.26 1vsy h GLU 5245Cb 2.04 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.25 1vsy h GLU 5245CO -0.20 0.29 0.70 -0.22 -1.00 0.00 0.00 179.01 178.58 1vsy h LYS 5246N -1.00 0.00 0.00 2.33 1.63 -1.20 0.17 116.57 118.51 1vsy h LYS 5246Ca -0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1vsy h LYS 5246Cb 0.41 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1vsy h LYS 5246CO -0.02 0.00 -1.03 0.39 -3.45 0.00 0.00 179.45 175.34 1vsy n GLU 5247N -4.17 0.29 0.00 1.90 1.02 -0.50 -3.29 120.64 115.89 1vsy n GLU 5247Ca 0.20 -0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.36 1vsy n GLU 5247Cb 1.02 -1.59 0.16 0.00 -0.02 0.00 0.00 31.44 31.01 1vsy n GLU 5247CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vsy n ALA 5248N -1.83 2.45 0.27 0.62 0.00 0.60 -4.09 120.51 118.53 1vsy n ALA 5248Ca 0.02 -0.03 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 1vsy n ALA 5248Cb 0.44 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 1vsy n ALA 5248CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vsy h ALA 5249N 3.01 -1.13 0.00 0.00 0.00 -1.53 -3.51 119.26 116.11 1vsy h ALA 5249Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1vsy h ALA 5249Cb 0.00 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1vsy h ALA 5249CO 0.00 -1.08 0.00 0.39 0.00 0.00 0.00 179.25 178.56