#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsy n PHE 4018N 0.00 0.00 0.30 1.39 3.01 -1.26 -4.81 117.46 116.10 1vsy n PHE 4018Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.54 1vsy n PHE 4018Cb 0.00 -0.00 0.45 0.00 -0.01 0.00 0.00 39.48 39.92 1vsy n PHE 4018CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1vsy h GLN 4019N 0.00 0.00 0.02 -1.08 1.08 -2.03 -2.26 115.11 110.85 1vsy h GLN 4019Ca 0.00 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 1vsy h GLN 4019Cb 0.01 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.39 1vsy h GLN 4019CO 0.00 0.00 -0.31 0.28 -0.95 0.00 0.00 178.83 177.85 1vsy h VAL 4020N 0.00 0.32 -0.34 -0.54 2.07 -1.98 -2.75 116.25 113.02 1vsy h VAL 4020Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1vsy h VAL 4020Cb 1.13 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1vsy h VAL 4020CO 0.00 0.00 0.23 -0.33 0.02 0.00 0.00 177.57 177.49 1vsy h GLU 4021N -0.48 0.31 -0.23 1.57 4.39 -1.81 -2.31 114.58 116.02 1vsy h GLU 4021Ca 0.06 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1vsy h GLU 4021Cb 0.55 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1vsy h GLU 4021CO -0.25 0.20 0.09 1.88 -1.16 0.00 0.00 179.01 179.77 1vsy h TYR 4022N 0.32 0.35 -0.47 4.33 -1.99 -1.66 -2.81 116.97 115.04 1vsy h TYR 4022Ca 0.14 -0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.84 1vsy h TYR 4022Cb 0.17 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 38.77 1vsy h TYR 4022CO -0.00 0.39 0.30 0.00 -0.00 0.00 0.00 178.16 178.84 1vsy h ALA 4023N 0.93 0.60 0.00 3.88 0.00 -1.34 -0.15 119.26 123.18 1vsy h ALA 4023Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1vsy h ALA 4023Cb 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1vsy h ALA 4023CO -0.01 0.08 0.26 1.25 0.00 0.00 0.00 179.25 180.83 1vsy h LEU 4024N 0.63 0.00 -0.07 0.00 5.85 -1.33 0.30 115.31 120.69 1vsy h LEU 4024Ca 0.17 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.73 1vsy h LEU 4024Cb -0.03 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.01 1vsy h LEU 4024CO -0.03 0.00 -0.57 -0.33 -0.34 0.00 0.00 178.44 177.17 1vsy h GLU 4025N 0.00 0.51 -0.65 1.25 4.39 -0.76 -3.27 114.58 116.05 1vsy h GLU 4025Ca 0.00 -0.45 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 1vsy h GLU 4025Cb 0.51 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 1vsy h GLU 4025CO 0.00 1.09 0.37 0.00 -1.16 0.00 0.00 179.01 179.31 1vsy h ALA 4026N 0.43 1.43 -0.31 3.43 0.00 -0.39 -1.76 119.26 122.09 1vsy h ALA 4026Ca -0.05 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1vsy h ALA 4026Cb 1.23 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1vsy h ALA 4026CO 0.12 0.48 -0.22 0.28 0.00 0.00 0.00 179.25 179.91 1vsy h VAL 4027N 0.90 0.00 -0.80 0.00 2.07 -1.57 -2.45 116.25 114.40 1vsy h VAL 4027Ca 0.23 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.86 1vsy h VAL 4027Cb 0.00 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.65 1vsy h VAL 4027CO -0.04 0.00 -0.35 0.29 0.02 0.00 0.00 177.57 177.49 1vsy n LYS 4028N -3.80 -0.23 0.13 1.57 5.02 -0.67 -1.42 118.16 118.76 1vsy n LYS 4028Ca 0.00 1.23 0.12 0.00 -2.02 0.00 0.00 58.31 57.64 1vsy n LYS 4028Cb 0.11 -1.82 0.50 0.00 -0.02 0.00 0.00 35.03 33.79 1vsy n LYS 4028CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1vsy n ARG 4029N -5.14 0.20 -2.59 1.97 0.00 -0.94 -1.48 116.66 108.67 1vsy n ARG 4029Ca 0.07 0.43 -0.24 0.00 -0.00 0.00 0.00 57.85 58.10 1vsy n ARG 4029Cb 0.29 -1.88 0.03 0.00 -0.00 0.00 0.00 32.46 30.90 1vsy n ARG 4029CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1vsy s GLY 4030N -3.56 1.64 -0.21 2.89 0.00 -0.51 -4.82 107.32 102.76 1vsy s GLY 4030Ca 0.04 -0.94 -0.19 0.00 0.00 0.00 0.00 44.72 43.62 1vsy s GLY 4030CO 0.39 -0.68 0.66 -1.30 0.00 0.00 0.00 173.10 172.17 1vsy n THR 4031N -2.43 0.00 -2.28 0.90 -2.24 -1.26 -2.91 114.28 104.06 1vsy n THR 4031Ca 0.05 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.41 1vsy n THR 4031Cb 0.58 -0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 1vsy n THR 4031CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vsy s ALA 4033N -0.11 1.33 0.26 0.00 0.00 -0.76 -2.88 121.76 119.60 1vsy s ALA 4033Ca 0.54 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.94 1vsy s ALA 4033Cb -0.35 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1vsy s ALA 4033CO 0.39 0.23 0.13 0.54 0.00 0.00 0.00 175.76 177.05 1vsy s VAL 4034N 0.11 0.29 -0.12 0.00 0.11 0.55 -1.06 120.40 120.28 1vsy s VAL 4034Ca -0.04 -2.00 -0.30 0.00 -2.93 0.00 0.00 61.98 56.71 1vsy s VAL 4034Cb -0.11 -2.55 0.11 0.00 -1.53 0.00 0.00 36.38 32.30 1vsy s VAL 4034CO 0.02 0.00 0.89 -0.83 -3.33 0.00 0.00 175.10 171.85 1vsy s GLY 4035N -3.29 -0.37 -0.21 6.54 0.00 -0.68 -2.21 107.32 107.10 1vsy s GLY 4035Ca 0.38 1.77 -0.05 0.00 0.00 0.00 0.00 44.72 46.82 1vsy s GLY 4035CO 0.15 0.98 0.37 0.14 0.00 0.00 0.00 173.10 174.74 1vsy s VAL 4036N -1.21 -0.58 0.80 1.40 1.01 -0.44 -2.24 120.40 119.14 1vsy s VAL 4036Ca -0.04 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 1vsy s VAL 4036Cb -0.00 -0.70 0.07 0.00 0.00 0.00 0.00 36.38 35.75 1vsy s VAL 4036CO 0.04 -0.03 1.10 -0.75 0.00 0.00 0.00 175.10 175.46 1vsy s LYS 4037N 2.54 2.02 0.32 2.72 2.20 -0.91 -2.72 119.74 125.91 1vsy s LYS 4037Ca 0.06 1.20 0.04 0.00 -0.36 0.00 0.00 55.97 56.91 1vsy s LYS 4037Cb -0.14 -1.87 -0.02 0.00 -1.51 0.00 0.00 37.83 34.30 1vsy s LYS 4037CO -0.13 -1.82 0.34 0.41 -0.36 0.00 0.00 175.35 173.78 1vsy n GLY 4038N -1.01 2.69 0.28 5.54 0.00 -0.63 -4.71 105.19 107.35 1vsy n GLY 4038Ca 0.09 -1.79 -0.00 0.00 0.00 0.00 0.00 46.02 44.32 1vsy n GLY 4038CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1vsy h LYS 4039N 0.00 0.57 -0.21 1.61 3.64 -1.71 -3.37 116.57 117.09 1vsy h LYS 4039Ca -0.23 -0.12 -0.17 0.00 -1.27 0.00 0.00 60.65 58.86 1vsy h LYS 4039Cb 1.13 -0.09 -0.14 0.00 -0.41 0.00 0.00 32.23 32.72 1vsy h LYS 4039CO 0.33 0.57 -0.40 0.27 -2.27 0.00 0.00 179.45 177.96 1vsy n ASN 4040N -4.29 -2.68 0.00 4.20 6.94 -1.26 -4.88 115.26 113.28 1vsy n ASN 4040Ca 0.02 -2.85 0.00 0.00 -0.02 0.00 0.00 54.58 51.73 1vsy n ASN 4040Cb 0.23 1.58 0.00 0.00 -2.36 0.00 0.00 39.78 39.23 1vsy n ASN 4040CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1vsy s VAL 4042N -2.00 0.11 0.00 0.00 1.01 -0.87 -1.60 120.40 117.05 1vsy s VAL 4042Ca 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 1vsy s VAL 4042Cb 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 1vsy s VAL 4042CO 0.00 -0.52 0.02 -0.69 0.00 0.00 0.00 175.10 173.91 1vsy s VAL 4043N -2.47 0.05 0.05 2.92 1.01 -1.10 -2.28 120.40 118.58 1vsy s VAL 4043Ca -0.06 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1vsy s VAL 4043Cb -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.19 1vsy s VAL 4043CO -0.04 -0.23 0.02 0.18 0.00 0.00 0.00 175.10 175.03 1vsy n LEU 4044N 2.35 0.00 0.00 3.92 4.77 -1.14 -1.33 117.00 125.57 1vsy n LEU 4044Ca -0.18 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1vsy n LEU 4044Cb 0.58 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1vsy n LEU 4044CO 0.23 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 1vsy n GLY 4045N 4.34 2.01 0.00 -0.72 0.00 -0.94 -4.14 105.19 105.74 1vsy n GLY 4045Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1vsy n GLY 4045CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vsy n GLU 4047N -0.53 -1.28 0.00 0.00 4.07 -1.14 -3.90 120.64 117.86 1vsy n GLU 4047Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1vsy n GLU 4047Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1vsy n GLU 4047CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1vsy n ARG 4048N 0.00 0.80 -1.67 5.31 0.63 -1.23 -3.74 116.66 116.76 1vsy n ARG 4048Ca 0.00 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.77 1vsy n ARG 4048Cb 0.00 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 32.82 1vsy n ARG 4048CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1vsy s ARG 4049N 1.17 1.50 0.00 -0.14 6.06 -1.26 -4.70 118.95 121.57 1vsy s ARG 4049Ca 0.00 -0.22 0.00 0.00 -2.50 0.00 0.00 55.73 53.01 1vsy s ARG 4049Cb 0.00 -4.95 0.00 0.00 0.06 0.00 0.00 34.95 30.06 1vsy s ARG 4049CO 0.00 -4.94 0.00 0.43 -2.50 0.00 0.00 175.30 168.29 1vsy n SER 4050N 18.59 0.00 -3.64 -2.12 7.64 -1.25 -4.15 113.62 128.69 1vsy n SER 4050Ca 0.43 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 60.25 1vsy n SER 4050Cb 0.46 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.59 1vsy n SER 4050CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1vsy s THR 4051N 0.00 0.00 -1.24 0.44 2.01 -1.26 -5.04 115.64 110.55 1vsy s THR 4051Ca 0.00 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.92 1vsy s THR 4051Cb 0.00 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.44 1vsy s THR 4051CO 0.00 0.00 2.53 0.18 -0.69 0.00 0.00 174.62 176.64 1vsy n LEU 4052N 4.24 6.76 0.00 4.42 4.77 -1.26 -4.76 117.00 131.18 1vsy n LEU 4052Ca -0.20 -3.59 0.00 0.00 -0.03 0.00 0.00 56.01 52.19 1vsy n LEU 4052Cb 0.59 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 1vsy n LEU 4052CO -0.02 1.33 0.00 0.29 -1.33 0.00 0.00 177.39 177.66 1vsy n LYS 4053N 3.88 0.00 -0.32 3.23 4.76 -1.26 -3.85 118.16 124.59 1vsy n LYS 4053Ca 0.61 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 56.16 1vsy n LYS 4053Cb 0.19 0.00 0.29 0.00 -1.84 0.00 0.00 35.03 33.67 1vsy n LYS 4053CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1vsy n LEU 4054N 0.00 3.82 -4.88 -0.35 7.94 -1.26 -4.97 117.00 117.29 1vsy n LEU 4054Ca 0.00 -1.87 -0.30 0.00 -1.11 0.00 0.00 56.01 52.73 1vsy n LEU 4054Cb 0.00 -0.42 -0.04 0.00 0.53 0.00 0.00 43.42 43.49 1vsy n LEU 4054CO 0.00 0.92 0.31 0.00 -1.11 0.00 0.00 177.39 177.51 1vsy s GLN 4055N -1.13 3.77 -0.09 1.96 -2.07 -1.25 -5.02 119.66 115.82 1vsy s GLN 4055Ca 0.46 0.30 -0.30 0.00 -1.82 0.00 0.00 55.36 54.01 1vsy s GLN 4055Cb 0.25 -2.54 -0.04 0.00 -1.09 0.00 0.00 33.01 29.59 1vsy s GLN 4055CO 0.33 0.15 1.42 0.34 -1.32 0.00 0.00 175.29 176.21 1vsy s ASP 4056N -2.85 6.83 0.05 12.60 3.68 -1.26 -4.92 116.67 130.81 1vsy s ASP 4056Ca 0.48 1.96 -0.16 0.00 2.13 0.00 0.00 52.55 56.96 1vsy s ASP 4056Cb -0.11 -2.54 -0.27 0.00 -1.45 0.00 0.00 42.92 38.55 1vsy s ASP 4056CO 0.27 -0.81 1.11 0.71 0.13 0.00 0.00 175.17 176.58 1vsy h THR 4057N 5.41 1.32 -0.43 1.71 1.35 -1.98 -3.38 112.91 116.91 1vsy h THR 4057Ca -0.33 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 63.17 1vsy h THR 4057Cb 1.14 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 70.20 1vsy h THR 4057CO 0.95 0.71 0.00 -2.11 -0.25 0.00 0.00 175.52 174.82 1vsy n ARG 4058N -3.89 2.10 0.00 4.72 0.00 -1.26 -4.37 116.66 113.95 1vsy n ARG 4058Ca -0.13 -1.59 0.00 0.00 -0.00 0.00 0.00 57.85 56.13 1vsy n ARG 4058Cb 0.91 -1.38 0.00 0.00 -0.00 0.00 0.00 32.46 31.98 1vsy n ARG 4058CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 1vsy n ILE 4059N 0.75 0.05 -2.01 8.89 -5.35 -1.26 -4.75 119.36 115.68 1vsy n ILE 4059Ca 0.15 -0.32 0.03 0.00 -0.27 0.00 0.00 62.75 62.34 1vsy n ILE 4059Cb 0.40 1.36 0.04 0.00 -1.74 0.00 0.00 39.64 39.70 1vsy n ILE 4059CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1vsy n THR 4060N -0.02 0.41 -0.35 7.28 -1.04 -1.26 -4.94 114.28 114.36 1vsy n THR 4060Ca 0.00 -0.84 -0.08 0.00 -2.04 0.00 0.00 64.05 61.08 1vsy n THR 4060Cb 0.12 0.50 -0.02 0.00 -1.82 0.00 0.00 70.33 69.11 1vsy n THR 4060CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1vsy n PRO 4061N -0.11 0.90 -2.21 -2.82 -0.02 -1.26 -4.56 135.00 124.91 1vsy n PRO 4061Ca 0.05 -0.73 -0.38 0.00 -2.02 0.00 0.00 63.50 60.42 1vsy n PRO 4061Cb 0.83 -2.01 0.03 0.00 -0.02 0.00 0.00 33.50 32.33 1vsy n PRO 4061CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1vsy n SER 4062N 3.91 7.07 0.00 2.55 3.41 -1.26 -4.85 113.62 124.45 1vsy n SER 4062Ca 0.19 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.02 1vsy n SER 4062Cb 0.15 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 1vsy n SER 4062CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1vsy n LYS 4063N -0.40 0.00 -3.39 4.33 5.02 -1.26 -4.60 118.16 117.86 1vsy n LYS 4063Ca 0.50 0.45 -0.38 0.00 -2.02 0.00 0.00 58.31 56.86 1vsy n LYS 4063Cb 0.29 -1.43 -0.06 0.00 -0.02 0.00 0.00 35.03 33.81 1vsy n LYS 4063CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1vsy s VAL 4064N -2.74 4.93 -0.16 -0.18 1.01 -1.26 -4.71 120.40 117.30 1vsy s VAL 4064Ca 0.00 1.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.95 1vsy s VAL 4064Cb 0.00 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1vsy s VAL 4064CO 0.00 0.54 -0.05 -0.44 0.00 0.00 0.00 175.10 175.14 1vsy s SER 4065N -0.88 4.59 0.07 3.32 0.01 -0.46 -4.92 113.70 115.44 1vsy s SER 4065Ca 0.26 -0.20 -0.31 0.00 1.31 0.00 0.00 55.95 57.02 1vsy s SER 4065Cb -0.18 -1.75 -0.06 0.00 0.21 0.00 0.00 66.02 64.25 1vsy s SER 4065CO 0.15 0.15 1.21 -0.75 0.41 0.00 0.00 173.24 174.41 1vsy s LYS 4066N 0.49 4.43 -0.23 12.44 2.20 -1.26 -1.25 119.74 136.56 1vsy s LYS 4066Ca -0.04 1.80 -0.11 0.00 -0.36 0.00 0.00 55.97 57.26 1vsy s LYS 4066Cb -0.15 -3.33 -0.10 0.00 -1.51 0.00 0.00 37.83 32.74 1vsy s LYS 4066CO 0.03 -0.26 -0.29 -0.89 -0.36 0.00 0.00 175.35 173.58 1vsy n ILE 4067N 3.82 1.27 -3.75 5.43 2.08 0.15 -4.95 119.36 123.41 1vsy n ILE 4067Ca 0.09 -0.33 0.00 0.00 0.56 0.00 0.00 62.75 63.07 1vsy n ILE 4067Cb 0.46 -1.79 0.00 0.00 -0.75 0.00 0.00 39.64 37.56 1vsy n ILE 4067CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1vsy n ASP 4068N -4.00 0.82 0.04 4.38 -0.08 -1.07 -4.63 116.55 112.01 1vsy n ASP 4068Ca -0.45 -0.75 0.09 0.00 -1.51 0.00 0.00 54.79 52.16 1vsy n ASP 4068Cb 0.83 0.00 0.39 0.00 2.34 0.00 0.00 41.12 44.68 1vsy n ASP 4068CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1vsy n SER 4069N -1.64 0.23 0.00 1.67 3.41 -1.26 -3.51 113.62 112.51 1vsy n SER 4069Ca 0.00 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1vsy n SER 4069Cb 0.00 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 1vsy n SER 4069CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vsy n HIS 4070N -1.74 0.00 -3.88 7.33 1.44 -1.26 -4.24 115.22 112.86 1vsy n HIS 4070Ca 0.03 -0.11 -0.16 0.00 -2.01 0.00 0.00 57.72 55.48 1vsy n HIS 4070Cb 0.21 -0.01 -0.16 0.00 0.12 0.00 0.00 29.99 30.15 1vsy n HIS 4070CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1vsy s VAL 4071N -0.22 0.10 0.36 0.61 1.01 -1.23 -3.46 120.40 117.58 1vsy s VAL 4071Ca 0.00 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1vsy s VAL 4071Cb 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 36.38 36.12 1vsy s VAL 4071CO 0.00 0.12 0.05 0.68 0.00 0.00 0.00 175.10 175.94 1vsy s VAL 4072N 0.93 1.36 -0.30 2.92 -7.23 -0.95 0.35 120.40 117.48 1vsy s VAL 4072Ca -0.09 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 57.97 1vsy s VAL 4072Cb -0.12 -2.78 0.15 0.00 0.56 0.00 0.00 36.38 34.19 1vsy s VAL 4072CO -0.02 0.00 0.78 -0.22 -0.31 0.00 0.00 175.10 175.33 1vsy s LEU 4073N -3.58 -0.94 0.37 1.32 0.20 -0.38 -2.16 118.68 113.50 1vsy s LEU 4073Ca 0.34 1.16 0.08 0.00 0.69 0.00 0.00 54.13 56.39 1vsy s LEU 4073Cb 0.08 2.02 -0.04 0.00 -0.43 0.00 0.00 46.19 47.82 1vsy s LEU 4073CO 0.15 -0.18 0.21 -0.94 -0.29 0.00 0.00 176.35 175.31 1vsy s SER 4074N 2.74 4.79 0.00 3.68 1.04 -0.42 -1.35 113.70 124.19 1vsy s SER 4074Ca -0.01 -0.78 -0.14 0.00 0.48 0.00 0.00 55.95 55.49 1vsy s SER 4074Cb -0.10 -0.69 0.02 0.00 0.10 0.00 0.00 66.02 65.35 1vsy s SER 4074CO -0.18 -0.41 0.30 0.72 0.98 0.00 0.00 173.24 174.65 1vsy s PHE 4075N -2.45 -0.15 -0.18 5.02 -0.12 -1.26 -0.03 117.98 118.82 1vsy s PHE 4075Ca 0.41 0.16 -0.02 0.00 -0.05 0.00 0.00 56.93 57.42 1vsy s PHE 4075Cb -0.02 0.09 -0.01 0.00 -0.63 0.00 0.00 43.02 42.45 1vsy s PHE 4075CO 0.24 -0.42 -0.09 -1.12 -0.05 0.00 0.00 175.22 173.78 1vsy s SER 4076N -1.57 4.08 0.00 1.98 0.01 -0.35 -4.71 113.70 113.14 1vsy s SER 4076Ca -0.11 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1vsy s SER 4076Cb -0.04 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.53 1vsy s SER 4076CO 0.02 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.33 1vsy n GLY 4077N 4.26 0.20 3.61 3.44 0.00 -1.26 -1.95 105.19 113.50 1vsy n GLY 4077Ca -0.18 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 1vsy n GLY 4077CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vsy s LEU 4078N 0.00 3.64 0.39 0.99 1.43 -0.86 -4.46 118.68 119.81 1vsy s LEU 4078Ca 0.00 1.80 0.07 0.00 -1.03 0.00 0.00 54.13 54.97 1vsy s LEU 4078Cb 0.00 -3.52 0.83 0.00 0.03 0.00 0.00 46.19 43.53 1vsy s LEU 4078CO 0.00 -1.69 2.01 0.78 0.23 0.00 0.00 176.35 177.68 1vsy h ASN 4079N 13.36 0.53 0.28 2.29 2.35 -1.97 -0.97 115.58 131.45 1vsy h ASN 4079Ca -0.39 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 1vsy h ASN 4079Cb 1.21 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.46 1vsy h ASN 4079CO 0.98 0.36 0.00 0.00 -1.65 0.00 0.00 177.43 177.13 1vsy n ALA 4080N -2.47 2.25 -0.07 -0.83 0.00 -1.26 -2.99 120.51 115.13 1vsy n ALA 4080Ca 0.07 -0.12 -0.07 0.00 0.00 0.00 0.00 53.44 53.32 1vsy n ALA 4080Cb 0.16 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.13 1vsy n ALA 4080CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1vsy n ASP 4081N -1.19 1.74 0.03 0.00 -0.08 -0.40 -4.45 116.55 112.20 1vsy n ASP 4081Ca 0.13 -0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.30 1vsy n ASP 4081Cb 0.15 0.81 -0.06 0.00 2.34 0.00 0.00 41.12 44.36 1vsy n ASP 4081CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1vsy h SER 4082N 0.00 -0.04 -1.13 1.67 4.64 -1.38 -2.99 113.55 114.32 1vsy h SER 4082Ca -0.36 0.01 0.32 0.00 -0.47 0.00 0.00 61.79 61.29 1vsy h SER 4082Cb 1.82 0.02 -0.10 0.00 -0.31 0.00 0.00 62.40 63.82 1vsy h SER 4082CO 0.02 -0.02 0.72 0.03 -0.87 0.00 0.00 176.83 176.72 1vsy h ARG 4083N -0.01 0.28 0.00 4.77 3.08 -1.78 0.90 114.38 121.62 1vsy h ARG 4083Ca 0.01 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1vsy h ARG 4083Cb 0.03 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 1vsy h ARG 4083CO -0.03 0.18 -0.16 0.82 -1.07 0.00 0.00 179.97 179.71 1vsy h ILE 4084N 0.29 0.43 0.00 2.04 5.03 -1.78 -2.34 117.51 121.17 1vsy h ILE 4084Ca 0.66 -0.91 -0.09 0.00 -0.12 0.00 0.00 64.86 64.40 1vsy h ILE 4084Cb 1.85 1.66 -0.01 0.00 -3.03 0.00 0.00 36.82 37.29 1vsy h ILE 4084CO -0.33 0.16 -0.58 -0.07 -0.68 0.00 0.00 178.15 176.64 1vsy h LEU 4085N 0.00 0.00 0.00 1.44 3.38 0.63 -3.06 115.31 117.70 1vsy h LEU 4085Ca -0.00 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1vsy h LEU 4085Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1vsy h LEU 4085CO 0.02 1.06 0.07 -0.38 0.09 0.00 0.00 178.44 179.30 1vsy n ILE 4086N -4.57 0.96 -0.07 1.22 5.41 -0.06 -1.23 119.36 121.01 1vsy n ILE 4086Ca -0.16 0.31 -0.09 0.00 1.00 0.00 0.00 62.75 63.81 1vsy n ILE 4086Cb 0.44 -1.31 -0.03 0.00 -0.71 0.00 0.00 39.64 38.03 1vsy n ILE 4086CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1vsy n GLU 4087N -1.20 0.46 -0.10 0.38 4.07 -0.89 -3.46 120.64 119.90 1vsy n GLU 4087Ca 0.00 0.19 0.26 0.00 -0.06 0.00 0.00 57.16 57.55 1vsy n GLU 4087Cb 0.07 -1.31 0.63 0.00 -0.06 0.00 0.00 31.44 30.76 1vsy n GLU 4087CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1vsy h LYS 4088N -0.87 0.00 0.00 5.31 1.57 -1.25 0.15 116.57 121.48 1vsy h LYS 4088Ca -0.03 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 1vsy h LYS 4088Cb 0.91 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1vsy h LYS 4088CO -0.02 0.00 -0.74 0.00 -0.57 0.00 0.00 179.45 178.12 1vsy h ALA 4089N 1.08 0.16 -0.33 3.86 0.00 -1.39 -2.82 119.26 119.82 1vsy h ALA 4089Ca 0.38 -0.92 0.10 0.00 0.00 0.00 0.00 54.91 54.46 1vsy h ALA 4089Cb 2.04 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 20.26 1vsy h ALA 4089CO -0.00 0.42 0.43 0.00 0.00 0.00 0.00 179.25 180.09 1vsy h ARG 4090N -1.00 0.00 0.00 0.00 3.08 -0.83 -0.60 114.38 115.03 1vsy h ARG 4090Ca -0.21 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.78 1vsy h ARG 4090Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 1vsy h ARG 4090CO -0.12 0.00 -0.51 0.28 -1.07 0.00 0.00 179.97 178.55 1vsy h VAL 4091N 0.00 0.57 0.00 2.04 2.07 -1.11 -3.26 116.25 116.56 1vsy h VAL 4091Ca 0.16 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1vsy h VAL 4091Cb 1.02 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1vsy h VAL 4091CO -0.00 0.19 0.13 -0.08 0.02 0.00 0.00 177.57 177.83 1vsy h GLU 4092N -1.00 0.00 -0.43 1.57 4.57 -1.22 0.26 114.58 118.33 1vsy h GLU 4092Ca -0.10 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 57.95 1vsy h GLU 4092Cb 0.70 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1vsy h GLU 4092CO -0.06 0.00 -0.28 0.00 -1.18 0.00 0.00 179.01 177.50 1vsy h ALA 4093N 1.72 0.70 0.01 2.92 0.00 -1.19 -1.86 119.26 121.57 1vsy h ALA 4093Ca 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1vsy h ALA 4093Cb 0.26 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1vsy h ALA 4093CO 0.00 0.67 -0.24 1.96 0.00 0.00 0.00 179.25 181.63 1vsy h GLN 4094N 0.78 0.03 0.00 0.00 1.08 -0.88 -3.17 115.11 112.95 1vsy h GLN 4094Ca 0.09 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1vsy h GLN 4094Cb 0.85 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.29 1vsy h GLN 4094CO 0.07 1.02 0.00 0.45 -0.95 0.00 0.00 178.83 179.43 1vsy n SER 4095N -4.54 0.00 -0.10 1.46 2.88 0.65 -0.60 113.62 113.37 1vsy n SER 4095Ca -0.13 0.04 -0.23 0.00 -1.33 0.00 0.00 58.87 57.21 1vsy n SER 4095Cb 0.54 -0.09 -0.12 0.00 -0.75 0.00 0.00 64.21 63.79 1vsy n SER 4095CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1vsy n HIS 4096N -1.09 0.47 0.33 0.66 -0.00 -0.70 -3.81 115.22 111.09 1vsy n HIS 4096Ca 0.01 0.14 0.21 0.00 -0.00 0.00 0.00 57.72 58.08 1vsy n HIS 4096Cb 0.01 -1.06 1.10 0.00 -0.00 0.00 0.00 29.99 30.04 1vsy n HIS 4096CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1vsy h ARG 4097N -0.44 0.00 0.02 1.57 3.08 -0.82 -1.76 114.38 116.03 1vsy h ARG 4097Ca -0.54 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.15 1vsy h ARG 4097Cb 1.74 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.74 1vsy h ARG 4097CO -0.17 0.00 -2.20 -0.11 -1.07 0.00 0.00 179.97 176.43 1vsy n LEU 4098N -3.15 1.34 -0.59 3.04 7.94 -0.15 -1.92 117.00 123.51 1vsy n LEU 4098Ca -0.03 0.09 0.07 0.00 -1.11 0.00 0.00 56.01 55.04 1vsy n LEU 4098Cb 0.15 -0.17 0.08 0.00 0.53 0.00 0.00 43.42 44.01 1vsy n LEU 4098CO 0.20 0.64 0.50 0.35 -1.11 0.00 0.00 177.39 177.97 1vsy n THR 4099N -3.05 0.18 -0.84 1.96 -2.24 -1.14 -4.49 114.28 104.65 1vsy n THR 4099Ca -0.32 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 1vsy n THR 4099Cb 1.08 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 70.45 1vsy n THR 4099CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1vsy n LEU 4100N 0.77 0.00 -3.28 3.22 7.99 -0.67 -5.06 117.00 119.96 1vsy n LEU 4100Ca 0.09 0.00 -0.30 0.00 -0.01 0.00 0.00 56.01 55.79 1vsy n LEU 4100Cb 0.36 0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.70 1vsy n LEU 4100CO 0.09 0.04 -0.23 1.21 -1.51 0.00 0.00 177.39 176.99 1vsy n GLU 4101N 0.00 -1.54 0.00 3.23 2.13 -0.81 -4.96 120.64 118.69 1vsy n GLU 4101Ca 0.00 1.04 0.00 0.00 0.66 0.00 0.00 57.16 58.86 1vsy n GLU 4101Cb 0.12 -1.74 0.00 0.00 0.27 0.00 0.00 31.44 30.08 1vsy n GLU 4101CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1vsy n ASP 4102N -0.64 0.00 -4.48 4.31 8.00 -1.26 -5.01 116.55 117.47 1vsy n ASP 4102Ca -0.14 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 54.95 1vsy n ASP 4102Cb 0.59 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.70 1vsy n ASP 4102CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1vsy n PRO 4103N 0.00 0.69 -1.75 -0.24 -0.02 -1.26 -4.12 135.00 128.30 1vsy n PRO 4103Ca 0.00 0.25 -0.40 0.00 -2.02 0.00 0.00 63.50 61.34 1vsy n PRO 4103Cb 0.00 -1.63 0.02 0.00 -0.02 0.00 0.00 33.50 31.87 1vsy n PRO 4103CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1vsy n VAL 4104N -0.94 2.93 -2.99 -1.45 0.24 -1.26 -4.82 118.33 110.04 1vsy n VAL 4104Ca 0.11 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.34 61.55 1vsy n VAL 4104Cb 0.41 -1.79 -0.06 0.00 -1.47 0.00 0.00 33.84 30.93 1vsy n VAL 4104CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1vsy s THR 4105N -1.21 4.44 0.40 3.34 -4.23 -1.26 -4.72 115.64 112.40 1vsy s THR 4105Ca 0.63 1.48 0.12 0.00 -1.18 0.00 0.00 61.69 62.74 1vsy s THR 4105Cb -0.45 -3.92 0.33 0.00 1.34 0.00 0.00 72.50 69.79 1vsy s THR 4105CO 0.56 0.21 1.94 0.58 -0.54 0.00 0.00 174.62 177.36 1vsy h VAL 4106N 2.73 0.88 -0.61 2.29 2.07 -1.91 0.33 116.25 122.03 1vsy h VAL 4106Ca -0.47 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1vsy h VAL 4106Cb 1.19 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1vsy h VAL 4106CO 0.65 0.10 0.19 -0.08 0.02 0.00 0.00 177.57 178.45 1vsy h GLU 4107N 0.53 0.95 -0.22 1.57 4.81 -1.97 -2.30 114.58 117.95 1vsy h GLU 4107Ca 0.35 -0.21 -0.13 0.00 -0.13 0.00 0.00 59.36 59.24 1vsy h GLU 4107Cb 0.62 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1vsy h GLU 4107CO -0.12 0.85 -0.37 -0.92 -0.73 0.00 0.00 179.01 177.72 1vsy h TYR 4108N 0.88 0.80 -0.67 0.92 5.03 -0.83 0.44 116.97 123.54 1vsy h TYR 4108Ca 0.20 -0.28 0.05 0.00 2.58 0.00 0.00 58.73 61.29 1vsy h TYR 4108Cb 0.29 -0.15 -0.05 0.00 1.55 0.00 0.00 36.73 38.36 1vsy h TYR 4108CO 0.02 1.03 0.38 1.25 -1.32 0.00 0.00 178.16 179.52 1vsy h LEU 4109N 0.34 0.58 0.32 2.82 7.12 -0.99 0.76 115.31 126.27 1vsy h LEU 4109Ca 0.02 0.02 -0.02 0.00 0.13 0.00 0.00 57.88 58.03 1vsy h LEU 4109Cb 0.96 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.00 1vsy h LEU 4109CO 0.08 0.38 -0.15 0.74 -0.13 0.00 0.00 178.44 179.36 1vsy h THR 4110N 0.72 0.71 -0.33 1.05 2.02 -1.18 -1.73 112.91 114.17 1vsy h THR 4110Ca 0.30 -0.24 0.07 0.00 0.77 0.00 0.00 66.41 67.30 1vsy h THR 4110Cb 0.16 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1vsy h THR 4110CO -0.17 0.05 0.23 -0.09 0.37 0.00 0.00 175.52 175.91 1vsy h ARG 4111N -0.56 0.14 -0.19 6.66 2.43 0.16 -0.28 114.38 122.74 1vsy h ARG 4111Ca -0.04 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 58.98 1vsy h ARG 4111Cb 0.41 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1vsy h ARG 4111CO 0.07 0.09 -0.42 -0.92 -1.51 0.00 0.00 179.97 177.28 1vsy h TYR 4112N 0.15 0.79 0.24 2.20 3.20 -0.66 -0.92 116.97 121.96 1vsy h TYR 4112Ca 0.15 -0.30 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 1vsy h TYR 4112Cb 0.40 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1vsy h TYR 4112CO -0.00 1.06 -0.12 0.28 -1.64 0.00 0.00 178.16 177.74 1vsy h VAL 4113N 0.30 0.80 -0.76 1.81 2.07 -0.68 -2.49 116.25 117.30 1vsy h VAL 4113Ca 0.00 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1vsy h VAL 4113Cb 1.03 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1vsy h VAL 4113CO 0.09 0.05 0.46 0.00 0.02 0.00 0.00 177.57 178.20 1vsy h ALA 4114N 0.30 0.96 0.00 1.67 0.00 -1.15 -1.65 119.26 119.38 1vsy h ALA 4114Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1vsy h ALA 4114Cb 0.33 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1vsy h ALA 4114CO 0.05 0.42 0.00 0.78 0.00 0.00 0.00 179.25 180.51 1vsy h GLY 4115N 1.03 0.00 0.67 0.00 0.00 -1.08 -2.29 103.07 101.40 1vsy h GLY 4115Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.31 1vsy h GLY 4115CO -0.05 0.00 -1.48 -2.08 0.00 0.00 0.00 176.54 172.92 1vsy h VAL 4116N 0.00 1.03 0.00 4.60 2.07 -0.83 -3.06 116.25 120.05 1vsy h VAL 4116Ca 0.00 -2.44 -0.00 0.00 0.82 0.00 0.00 66.70 65.08 1vsy h VAL 4116Cb 0.13 2.75 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1vsy h VAL 4116CO 0.00 0.75 -0.01 1.56 0.02 0.00 0.00 177.57 179.89 1vsy h GLN 4117N -0.19 0.00 -0.22 1.57 4.20 -1.20 -1.97 115.11 117.30 1vsy h GLN 4117Ca -0.31 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.30 1vsy h GLN 4117Cb 1.86 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.63 1vsy h GLN 4117CO 0.10 0.01 -0.27 0.37 -0.67 0.00 0.00 178.83 178.37 1vsy h GLN 4118N 0.00 0.57 0.00 1.46 -0.00 -1.52 -2.88 115.11 112.74 1vsy h GLN 4118Ca -0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 58.65 58.33 1vsy h GLN 4118Cb 0.02 0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.52 1vsy h GLN 4118CO 0.00 0.92 0.00 -2.13 0.00 0.00 0.00 178.83 177.62 1vsy n ARG 4119N -4.35 0.56 -1.81 1.69 0.63 -0.78 -3.05 116.66 109.55 1vsy n ARG 4119Ca -0.05 0.03 -0.38 0.00 -0.92 0.00 0.00 57.85 56.53 1vsy n ARG 4119Cb 0.45 -1.50 0.03 0.00 0.45 0.00 0.00 32.46 31.89 1vsy n ARG 4119CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1vsy n TYR 4120N -1.14 2.78 0.12 -0.14 4.02 -0.95 -4.29 117.16 117.57 1vsy n TYR 4120Ca 0.15 -2.31 0.00 0.00 -0.01 0.00 0.00 57.90 55.73 1vsy n TYR 4120Cb 0.13 -1.23 0.00 0.00 -0.02 0.00 0.00 39.34 38.22 1vsy n TYR 4120CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1vsy n THR 4121N -0.35 0.00 1.71 -0.72 -2.24 -1.17 -2.94 114.28 108.57 1vsy n THR 4121Ca 0.54 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.42 1vsy n THR 4121Cb 0.30 -0.06 0.64 0.00 -2.10 0.00 0.00 70.33 69.11 1vsy n THR 4121CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vsy n GLN 4122N -3.01 0.85 -4.08 -0.78 10.64 -1.25 -4.11 117.38 115.65 1vsy n GLN 4122Ca 0.00 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.04 1vsy n GLN 4122Cb 0.00 -1.39 -0.11 0.00 -0.86 0.00 0.00 30.24 27.87 1vsy n GLN 4122CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1vsy s SER 4123N -1.82 0.92 0.00 2.61 1.04 -1.26 -4.84 113.70 110.35 1vsy s SER 4123Ca 0.32 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1vsy s SER 4123Cb 0.15 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1vsy s SER 4123CO 0.25 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.86 1vsy n GLY 4124N 1.32 0.36 1.23 7.32 0.00 -1.26 -3.68 105.19 110.48 1vsy n GLY 4124Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1vsy n GLY 4124CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vsy n GLY 4125N 0.00 -0.14 3.39 -0.02 0.00 -1.26 -5.12 105.19 102.04 1vsy n GLY 4125Ca 0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 1vsy n GLY 4125CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vsy s VAL 4126N -2.58 1.55 0.37 1.61 1.01 -1.24 -5.10 120.40 116.02 1vsy s VAL 4126Ca 0.00 -2.13 -0.26 0.00 0.00 0.00 0.00 61.98 59.59 1vsy s VAL 4126Cb 0.00 -2.31 -0.09 0.00 0.00 0.00 0.00 36.38 33.98 1vsy s VAL 4126CO 0.00 -0.39 1.11 0.00 0.00 0.00 0.00 175.10 175.81 1vsy s ARG 4127N -3.73 4.24 0.74 2.72 1.70 -1.26 -4.14 118.95 119.22 1vsy s ARG 4127Ca 0.27 1.70 -0.08 0.00 -0.47 0.00 0.00 55.73 57.15 1vsy s ARG 4127Cb 0.03 -2.75 0.07 0.00 -0.57 0.00 0.00 34.95 31.74 1vsy s ARG 4127CO 0.10 -0.12 1.06 -2.14 -1.08 0.00 0.00 175.30 173.12 1vsy s PRO 4128N -2.17 2.05 0.21 3.89 0.02 -1.15 -4.81 135.00 133.04 1vsy s PRO 4128Ca 0.54 -0.22 -0.22 0.00 0.02 0.00 0.00 61.00 61.12 1vsy s PRO 4128Cb -0.28 -2.12 -0.08 0.00 0.02 0.00 0.00 34.50 32.05 1vsy s PRO 4128CO 0.35 -1.38 0.76 -0.06 -0.33 0.00 0.00 177.00 176.34 1vsy s PHE 4129N -3.34 3.74 -0.34 6.54 0.08 -1.26 -4.97 117.98 118.43 1vsy s PHE 4129Ca 0.61 1.51 -0.01 0.00 0.12 0.00 0.00 56.93 59.16 1vsy s PHE 4129Cb -0.10 -2.70 0.25 0.00 -0.57 0.00 0.00 43.02 39.90 1vsy s PHE 4129CO 0.46 0.39 1.96 0.41 -0.10 0.00 0.00 175.22 178.34 1vsy n GLY 4130N 1.01 4.19 2.91 4.36 0.00 -1.26 -4.56 105.19 111.85 1vsy n GLY 4130Ca -0.03 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.69 1vsy n GLY 4130CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vsy s VAL 4131N -2.48 0.24 0.06 1.61 -7.23 -1.26 -2.03 120.40 109.31 1vsy s VAL 4131Ca 0.34 -0.11 0.02 0.00 -1.81 0.00 0.00 61.98 60.42 1vsy s VAL 4131Cb 0.27 -0.22 -0.04 0.00 0.56 0.00 0.00 36.38 36.95 1vsy s VAL 4131CO 0.00 0.08 0.12 -0.44 -0.31 0.00 0.00 175.10 174.55 1vsy s SER 4132N 0.06 5.79 0.09 4.85 0.01 -0.82 -3.66 113.70 120.02 1vsy s SER 4132Ca -0.00 0.09 0.05 0.00 1.31 0.00 0.00 55.95 57.39 1vsy s SER 4132Cb -0.03 -1.64 -0.03 0.00 0.21 0.00 0.00 66.02 64.53 1vsy s SER 4132CO -0.00 0.18 -0.13 0.42 0.41 0.00 0.00 173.24 174.12 1vsy s THR 4133N -1.40 1.10 -0.04 1.44 -4.23 -0.63 -1.21 115.64 110.67 1vsy s THR 4133Ca 0.30 -1.53 0.06 0.00 -1.18 0.00 0.00 61.69 59.34 1vsy s THR 4133Cb -0.12 -1.28 -0.02 0.00 1.34 0.00 0.00 72.50 72.41 1vsy s THR 4133CO 0.23 -0.39 -0.20 -0.76 -0.54 0.00 0.00 174.62 172.95 1vsy s LEU 4134N -2.17 2.37 -0.10 4.79 1.02 0.96 -0.45 118.68 125.11 1vsy s LEU 4134Ca 0.03 -0.35 -0.01 0.00 0.02 0.00 0.00 54.13 53.82 1vsy s LEU 4134Cb -0.06 -1.45 0.03 0.00 0.02 0.00 0.00 46.19 44.73 1vsy s LEU 4134CO 0.02 0.31 -0.01 -0.63 0.02 0.00 0.00 176.35 176.06 1vsy s ILE 4135N -0.56 0.53 0.39 -0.59 1.01 -0.83 -1.30 121.20 119.85 1vsy s ILE 4135Ca 0.08 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.70 1vsy s ILE 4135Cb -0.11 -0.71 -0.05 0.00 0.01 0.00 0.00 42.46 41.60 1vsy s ILE 4135CO 0.01 0.21 0.06 0.00 0.00 0.00 0.00 174.94 175.21 1vsy s ALA 4136N 1.90 2.94 0.00 9.38 0.00 -0.92 -1.70 121.76 133.36 1vsy s ALA 4136Ca 0.04 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.39 1vsy s ALA 4136Cb -0.13 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.48 1vsy s ALA 4136CO -0.06 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1vsy n GLY 4137N -0.89 2.01 3.57 0.00 0.00 -1.10 -2.25 105.19 106.53 1vsy n GLY 4137Ca -0.06 -2.01 -0.34 0.00 0.00 0.00 0.00 46.02 43.60 1vsy n GLY 4137CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vsy s PHE 4138N -1.53 3.13 1.05 1.61 0.40 -1.22 -2.46 117.98 118.94 1vsy s PHE 4138Ca 0.00 -0.10 -0.18 0.00 -0.60 0.00 0.00 56.93 56.04 1vsy s PHE 4138Cb 0.00 -1.98 0.02 0.00 0.51 0.00 0.00 43.02 41.57 1vsy s PHE 4138CO 0.00 0.09 -0.18 -0.25 0.70 0.00 0.00 175.22 175.58 1vsy n ASP 4139N 3.37 -2.72 -4.73 1.36 8.00 -1.26 -4.85 116.55 115.72 1vsy n ASP 4139Ca -0.17 0.05 -0.41 0.00 0.71 0.00 0.00 54.79 54.96 1vsy n ASP 4139Cb 0.52 -0.94 -0.03 0.00 -0.02 0.00 0.00 41.12 40.65 1vsy n ASP 4139CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1vsy s PRO 4140N -3.16 4.47 0.00 -0.24 0.04 -1.26 -4.20 135.00 130.64 1vsy s PRO 4140Ca 0.52 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1vsy s PRO 4140Cb -0.12 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1vsy s PRO 4140CO 0.68 -0.15 0.00 0.54 0.04 0.00 0.00 177.00 178.11 1vsy n ARG 4141N 2.95 0.00 -0.97 4.56 1.74 -1.26 -4.93 116.66 118.75 1vsy n ARG 4141Ca 0.06 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.81 1vsy n ARG 4141Cb 0.45 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.87 1vsy n ARG 4141CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1vsy n ASP 4142N 3.11 -1.00 -0.61 0.55 2.03 -1.26 -4.87 116.55 114.50 1vsy n ASP 4142Ca 0.00 0.77 0.06 0.00 0.52 0.00 0.00 54.79 56.14 1vsy n ASP 4142Cb 0.00 -0.66 0.20 0.00 -0.72 0.00 0.00 41.12 39.94 1vsy n ASP 4142CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1vsy n ASP 4143N 1.43 2.71 -4.53 1.67 3.85 -1.26 -4.41 116.55 116.01 1vsy n ASP 4143Ca 0.12 -3.33 -0.42 0.00 -0.71 0.00 0.00 54.79 50.45 1vsy n ASP 4143Cb 0.19 -0.52 -0.08 0.00 -1.35 0.00 0.00 41.12 39.36 1vsy n ASP 4143CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1vsy s GLU 4144N -3.00 3.43 0.37 0.11 2.12 -1.26 -4.91 118.70 115.57 1vsy s GLU 4144Ca 0.38 -0.38 -0.25 0.00 0.36 0.00 0.00 54.97 55.09 1vsy s GLU 4144Cb 0.34 -3.87 -0.12 0.00 0.26 0.00 0.00 34.13 30.74 1vsy s GLU 4144CO 0.02 -0.73 0.92 -2.30 -0.54 0.00 0.00 175.26 172.63 1vsy n PRO 4145N 5.73 1.19 -4.38 4.30 -0.02 -1.26 -4.57 135.00 136.00 1vsy n PRO 4145Ca -0.06 0.42 -0.20 0.00 -2.02 0.00 0.00 63.50 61.64 1vsy n PRO 4145Cb 0.48 -1.86 -0.16 0.00 -0.02 0.00 0.00 33.50 31.95 1vsy n PRO 4145CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1vsy s LYS 4146N -1.75 0.98 -0.02 -0.52 -0.14 -1.03 -5.03 119.74 112.22 1vsy s LYS 4146Ca 0.61 -0.29 0.00 0.00 -1.36 0.00 0.00 55.97 54.94 1vsy s LYS 4146Cb -0.62 -0.91 0.03 0.00 -1.68 0.00 0.00 37.83 34.64 1vsy s LYS 4146CO 0.58 0.09 0.01 -1.17 -0.76 0.00 0.00 175.35 174.10 1vsy s LEU 4147N 0.27 1.22 0.23 3.17 0.20 -1.26 -2.70 118.68 119.81 1vsy s LEU 4147Ca -0.04 -0.01 0.02 0.00 0.69 0.00 0.00 54.13 54.79 1vsy s LEU 4147Cb -0.09 -0.17 -0.05 0.00 -0.43 0.00 0.00 46.19 45.44 1vsy s LEU 4147CO 0.01 -0.10 0.03 -0.31 -0.29 0.00 0.00 176.35 175.69 1vsy s TYR 4148N 0.93 1.48 -0.05 5.38 1.51 -0.69 -1.51 117.35 124.40 1vsy s TYR 4148Ca -0.09 -1.03 -0.04 0.00 -1.01 0.00 0.00 57.07 54.91 1vsy s TYR 4148Cb -0.12 -0.87 0.02 0.00 -0.11 0.00 0.00 41.96 40.88 1vsy s TYR 4148CO -0.02 -0.17 0.13 -1.14 -1.11 0.00 0.00 175.55 173.24 1vsy s GLN 4149N -3.93 0.12 0.25 -0.62 0.74 -0.34 -1.96 119.66 113.92 1vsy s GLN 4149Ca 0.30 0.25 0.11 0.00 0.05 0.00 0.00 55.36 56.08 1vsy s GLN 4149Cb 0.07 -0.03 -0.05 0.00 1.10 0.00 0.00 33.01 34.10 1vsy s GLN 4149CO 0.09 -0.08 -0.18 0.95 -0.55 0.00 0.00 175.29 175.53 1vsy s THR 4150N 0.50 2.63 0.01 -0.34 -4.23 0.40 -2.25 115.64 112.36 1vsy s THR 4150Ca -0.04 -2.18 -0.12 0.00 -1.18 0.00 0.00 61.69 58.17 1vsy s THR 4150Cb -0.05 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.46 1vsy s THR 4150CO -0.02 -0.30 0.25 -1.83 -0.54 0.00 0.00 174.62 172.18 1vsy s GLU 4151N -3.25 0.65 0.65 3.99 -1.05 -1.20 -1.60 118.70 116.90 1vsy s GLU 4151Ca 0.27 -0.35 0.08 0.00 -0.15 0.00 0.00 54.97 54.82 1vsy s GLU 4151Cb -0.06 0.28 0.36 0.00 -0.44 0.00 0.00 34.13 34.27 1vsy s GLU 4151CO 0.14 -0.18 1.17 -1.35 0.95 0.00 0.00 175.26 175.99 1vsy h PRO 4152N 3.81 0.00 0.34 -4.83 0.11 -1.80 -0.32 132.00 129.31 1vsy h PRO 4152Ca -0.31 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 1vsy h PRO 4152Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1vsy h PRO 4152CO 0.42 0.00 -0.16 1.03 -0.21 0.00 0.00 178.00 179.08 1vsy h SER 4153N 0.00 -0.39 0.00 -2.05 0.87 -1.92 -3.41 113.55 106.65 1vsy h SER 4153Ca 0.08 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1vsy h SER 4153Cb 1.97 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 64.03 1vsy h SER 4153CO -0.00 0.01 0.00 0.61 -0.53 0.00 0.00 176.83 176.92 1vsy n GLY 4154N -0.18 -0.36 3.69 5.77 0.00 -0.13 -4.01 105.19 109.97 1vsy n GLY 4154Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1vsy n GLY 4154CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vsy s ILE 4155N -0.21 5.16 -0.06 -0.61 1.09 -1.24 -4.63 121.20 120.69 1vsy s ILE 4155Ca 0.00 0.92 0.04 0.00 -1.10 0.00 0.00 60.65 60.50 1vsy s ILE 4155Cb 0.00 -3.81 -0.02 0.00 -1.06 0.00 0.00 42.46 37.56 1vsy s ILE 4155CO 0.00 0.26 -0.16 -0.72 -0.10 0.00 0.00 174.94 174.21 1vsy s TYR 4156N 1.13 2.66 0.02 3.97 1.13 -1.26 -3.20 117.35 121.79 1vsy s TYR 4156Ca 0.24 -0.30 0.02 0.00 -1.41 0.00 0.00 57.07 55.62 1vsy s TYR 4156Cb -0.15 -1.64 -0.02 0.00 -1.10 0.00 0.00 41.96 39.05 1vsy s TYR 4156CO 0.10 0.07 -0.06 -1.54 -2.51 0.00 0.00 175.55 171.61 1vsy s SER 4157N -0.52 0.69 -0.05 -0.18 1.04 -0.95 -4.98 113.70 108.75 1vsy s SER 4157Ca 0.07 -0.37 -0.12 0.00 0.48 0.00 0.00 55.95 56.01 1vsy s SER 4157Cb -0.12 0.00 -0.05 0.00 0.10 0.00 0.00 66.02 65.96 1vsy s SER 4157CO 0.01 -0.11 0.32 -0.94 0.98 0.00 0.00 173.24 173.50 1vsy s SER 4158N -1.02 6.65 -0.01 7.02 1.04 -1.26 -1.19 113.70 124.93 1vsy s SER 4158Ca -0.06 0.78 0.04 0.00 0.48 0.00 0.00 55.95 57.18 1vsy s SER 4158Cb -0.07 -2.19 -0.01 0.00 0.10 0.00 0.00 66.02 63.85 1vsy s SER 4158CO 0.00 0.33 -0.12 0.26 0.98 0.00 0.00 173.24 174.70 1vsy s TRP 4159N -0.95 1.05 0.35 5.02 0.52 -0.57 -4.98 118.94 119.39 1vsy s TRP 4159Ca 0.21 -0.20 0.28 0.00 0.02 0.00 0.00 56.10 56.40 1vsy s TRP 4159Cb -0.15 -0.68 1.37 0.00 -1.15 0.00 0.00 33.47 32.86 1vsy s TRP 4159CO 0.10 -0.03 2.03 0.77 0.02 0.00 0.00 176.95 179.84 1vsy h SER 4160N 5.89 0.00 -3.79 2.95 0.02 -1.98 -3.40 113.55 113.25 1vsy h SER 4160Ca -0.33 0.00 0.32 0.00 -0.84 0.00 0.00 61.79 60.94 1vsy h SER 4160Cb 1.17 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.48 1vsy h SER 4160CO 0.49 0.13 0.99 0.00 -1.14 0.00 0.00 176.83 177.31 1vsy s ALA 4161N -4.05 -2.20 0.05 3.77 0.00 -1.26 -2.14 121.76 115.94 1vsy s ALA 4161Ca -0.02 1.93 -0.28 0.00 0.00 0.00 0.00 51.96 53.59 1vsy s ALA 4161Cb 0.12 -0.68 0.09 0.00 0.00 0.00 0.00 23.12 22.65 1vsy s ALA 4161CO 0.59 -0.47 1.02 -1.14 0.00 0.00 0.00 175.76 175.76 1vsy s GLN 4162N -1.79 0.87 -0.01 0.00 2.00 -0.95 -5.03 119.66 114.75 1vsy s GLN 4162Ca 0.11 -0.43 -0.06 0.00 -2.00 0.00 0.00 55.36 52.98 1vsy s GLN 4162Cb -0.01 0.33 0.00 0.00 0.80 0.00 0.00 33.01 34.13 1vsy s GLN 4162CO -0.04 -0.39 0.12 -0.08 -0.50 0.00 0.00 175.29 174.40 1vsy s THR 4163N -3.01 0.06 0.02 -0.34 -1.32 -1.26 -1.68 115.64 108.11 1vsy s THR 4163Ca 0.10 -0.51 0.00 0.00 -1.21 0.00 0.00 61.69 60.08 1vsy s THR 4163Cb -0.00 -0.35 -0.02 0.00 -1.51 0.00 0.00 72.50 70.62 1vsy s THR 4163CO -0.03 -0.28 -0.03 -0.51 -2.21 0.00 0.00 174.62 171.56 1vsy s ILE 4164N -0.96 0.15 -0.61 5.08 1.10 -0.22 -4.86 121.20 120.87 1vsy s ILE 4164Ca -0.11 -0.89 0.00 0.00 -0.51 0.00 0.00 60.65 59.14 1vsy s ILE 4164Cb -0.06 -0.28 0.00 0.00 0.15 0.00 0.00 42.46 42.27 1vsy s ILE 4164CO 0.01 -0.47 0.00 0.61 -2.11 0.00 0.00 174.94 172.98 1vsy n GLY 4165N 1.65 0.41 3.69 1.50 0.00 -1.26 -1.83 105.19 109.35 1vsy n GLY 4165Ca -0.23 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 1vsy n GLY 4165CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1vsy s ARG 4166N -1.55 4.13 -1.50 1.61 1.70 -0.55 -3.71 118.95 119.07 1vsy s ARG 4166Ca 0.00 -0.24 -0.05 0.00 -0.47 0.00 0.00 55.73 54.97 1vsy s ARG 4166Cb 0.00 -3.49 0.02 0.00 -0.57 0.00 0.00 34.95 30.91 1vsy s ARG 4166CO 0.00 0.17 0.55 0.09 -1.08 0.00 0.00 175.30 175.03 1vsy n ASN 4167N 3.95 -5.60 0.20 -2.89 5.03 -1.26 -4.70 115.26 109.99 1vsy n ASN 4167Ca -0.15 -0.29 0.07 0.00 0.87 0.00 0.00 54.58 55.08 1vsy n ASN 4167Cb 0.52 -4.54 0.36 0.00 -1.02 0.00 0.00 39.78 35.10 1vsy n ASN 4167CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1vsy h SER 4168N -1.23 0.00 0.03 6.41 4.64 -1.91 -3.04 113.55 118.45 1vsy h SER 4168Ca -0.51 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.70 1vsy h SER 4168Cb 1.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 1vsy h SER 4168CO 0.56 0.34 -0.37 0.50 -0.87 0.00 0.00 176.83 176.99 1vsy h LYS 4169N 0.00 0.45 -0.44 4.77 3.64 -1.90 -0.70 116.57 122.40 1vsy h LYS 4169Ca -0.00 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.15 1vsy h LYS 4169Cb 0.86 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 1vsy h LYS 4169CO 0.04 0.76 0.19 1.15 -2.27 0.00 0.00 179.45 179.32 1vsy h THR 4170N 0.38 1.16 0.12 1.00 2.02 -1.93 -2.41 112.91 113.25 1vsy h THR 4170Ca 0.04 -0.48 -0.21 0.00 0.77 0.00 0.00 66.41 66.52 1vsy h THR 4170Cb 0.82 0.62 0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1vsy h THR 4170CO 0.07 0.19 -1.02 0.58 0.37 0.00 0.00 175.52 175.71 1vsy h VAL 4171N 0.62 1.32 -0.25 3.16 2.07 -1.53 -2.00 116.25 119.63 1vsy h VAL 4171Ca 0.15 -2.46 0.03 0.00 0.82 0.00 0.00 66.70 65.24 1vsy h VAL 4171Cb 0.10 2.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 1vsy h VAL 4171CO -0.02 0.69 0.17 -0.09 0.02 0.00 0.00 177.57 178.34 1vsy h ARG 4172N -0.40 0.21 -0.05 1.57 2.43 -1.11 0.24 114.38 117.26 1vsy h ARG 4172Ca -0.21 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.91 1vsy h ARG 4172Cb 1.64 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.15 1vsy h ARG 4172CO 0.09 0.14 -0.11 1.49 -1.51 0.00 0.00 179.97 180.07 1vsy h GLU 4173N 0.21 0.17 0.03 0.20 4.57 -1.46 -2.50 114.58 115.81 1vsy h GLU 4173Ca 0.11 -0.11 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1vsy h GLU 4173Cb 0.16 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.71 1vsy h GLU 4173CO -0.02 0.70 -0.35 0.35 -1.18 0.00 0.00 179.01 178.51 1vsy h PHE 4174N -0.34 -0.98 -0.38 0.92 3.57 -0.49 -3.09 116.94 116.15 1vsy h PHE 4174Ca 0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1vsy h PHE 4174Cb 0.70 0.43 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 1vsy h PHE 4174CO 0.12 -0.45 0.23 -0.07 -2.23 0.00 0.00 178.31 175.91 1vsy h LEU 4175N -0.53 0.38 -0.92 0.59 3.38 -0.63 -2.40 115.31 115.18 1vsy h LEU 4175Ca 0.05 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.20 1vsy h LEU 4175Cb 0.60 -0.08 -0.11 0.00 0.09 0.00 0.00 40.66 41.16 1vsy h LEU 4175CO -0.27 0.27 0.50 -0.33 0.09 0.00 0.00 178.44 178.71 1vsy h GLU 4176N 0.47 0.61 -0.57 1.13 5.08 -1.40 0.25 114.58 120.15 1vsy h GLU 4176Ca 0.15 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1vsy h GLU 4176Cb -0.01 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1vsy h GLU 4176CO -0.06 0.40 0.00 1.63 -1.00 0.00 0.00 179.01 179.98 1vsy n LYS 4177N -4.87 2.42 0.00 2.33 5.02 -0.93 -4.10 118.16 118.03 1vsy n LYS 4177Ca 0.21 -1.50 0.00 0.00 -2.02 0.00 0.00 58.31 55.00 1vsy n LYS 4177Cb 0.55 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1vsy n LYS 4177CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1vsy n ASN 4178N 0.48 0.60 -4.68 4.39 3.02 0.62 -5.05 115.26 114.65 1vsy n ASN 4178Ca 0.14 -0.07 -0.35 0.00 -0.03 0.00 0.00 54.58 54.27 1vsy n ASN 4178Cb 0.52 0.25 -0.09 0.00 -0.61 0.00 0.00 39.78 39.85 1vsy n ASN 4178CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1vsy s TYR 4179N -0.37 3.17 0.00 3.10 5.04 0.21 -5.06 117.35 123.44 1vsy s TYR 4179Ca 0.00 0.19 0.02 0.00 -2.44 0.00 0.00 57.07 54.83 1vsy s TYR 4179Cb 0.00 -1.80 -0.01 0.00 0.35 0.00 0.00 41.96 40.50 1vsy s TYR 4179CO 0.00 0.46 -0.06 0.16 -1.34 0.00 0.00 175.55 174.76 1vsy s ASP 4180N -0.83 0.70 0.25 4.32 3.84 -1.26 -4.86 116.67 118.84 1vsy s ASP 4180Ca 0.13 -0.18 -0.02 0.00 -0.00 0.00 0.00 52.55 52.47 1vsy s ASP 4180Cb -0.11 -0.06 0.31 0.00 -1.38 0.00 0.00 42.92 41.68 1vsy s ASP 4180CO 0.02 0.02 1.74 0.03 -0.00 0.00 0.00 175.17 176.99 1vsy h ARG 4181N 5.74 0.80 -0.59 2.11 3.08 -2.00 -3.10 114.38 120.42 1vsy h ARG 4181Ca -0.30 -0.23 0.12 0.00 0.07 0.00 0.00 59.98 59.65 1vsy h ARG 4181Cb 1.19 -0.09 -0.11 0.00 0.08 0.00 0.00 29.97 31.04 1vsy h ARG 4181CO 0.48 0.82 -0.19 1.57 -1.07 0.00 0.00 179.97 181.58 1vsy h LYS 4182N 0.75 -0.04 -3.86 0.04 2.10 -2.06 -3.32 116.57 110.17 1vsy h LYS 4182Ca 0.14 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 58.18 1vsy h LYS 4182Cb 0.48 0.01 -0.40 0.00 -0.90 0.00 0.00 32.23 31.42 1vsy h LYS 4182CO 0.02 -0.03 -0.73 -1.21 -2.00 0.00 0.00 179.45 175.50 1vsy s GLU 4183N -6.18 1.18 0.22 0.07 0.41 -1.17 -5.12 118.70 108.11 1vsy s GLU 4183Ca -0.14 -1.63 -0.26 0.00 -0.41 0.00 0.00 54.97 52.53 1vsy s GLU 4183Cb 0.18 -2.59 -0.09 0.00 -1.78 0.00 0.00 34.13 29.86 1vsy s GLU 4183CO 0.72 -1.01 0.84 -2.14 -0.49 0.00 0.00 175.26 173.19 1vsy s PRO 4184N 1.01 4.60 -0.94 0.39 0.02 -1.23 -4.48 135.00 134.37 1vsy s PRO 4184Ca 0.12 1.23 -0.16 0.00 0.02 0.00 0.00 61.00 62.21 1vsy s PRO 4184Cb -0.20 -3.12 -0.28 0.00 0.02 0.00 0.00 34.50 30.93 1vsy s PRO 4184CO -0.13 0.48 2.28 -2.30 -0.33 0.00 0.00 177.00 176.99 1vsy n PRO 4185N 1.24 0.15 -0.02 5.54 -0.02 -1.26 -4.39 135.00 136.24 1vsy n PRO 4185Ca -0.03 -0.17 -0.13 0.00 -2.02 0.00 0.00 63.50 61.15 1vsy n PRO 4185Cb 0.49 -1.69 -0.09 0.00 -0.02 0.00 0.00 33.50 32.19 1vsy n PRO 4185CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vsy h ALA 4186N 11.76 0.05 -2.85 3.55 0.00 -1.94 -2.90 119.26 126.93 1vsy h ALA 4186Ca 0.01 -0.24 -0.53 0.00 0.00 0.00 0.00 54.91 54.15 1vsy h ALA 4186Cb 1.13 -0.01 0.09 0.00 0.00 0.00 0.00 17.79 19.00 1vsy h ALA 4186CO 1.46 -0.19 0.86 2.41 0.00 0.00 0.00 179.25 183.79 1vsy n THR 4187N -4.81 1.35 0.11 0.00 -1.04 -1.26 -4.44 114.28 104.20 1vsy n THR 4187Ca -0.08 -0.34 -0.13 0.00 -2.04 0.00 0.00 64.05 61.46 1vsy n THR 4187Cb 0.25 -2.00 -0.08 0.00 -1.82 0.00 0.00 70.33 66.69 1vsy n THR 4187CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1vsy h VAL 4188N 3.23 0.00 -0.55 12.58 2.07 -1.92 -2.49 116.25 129.18 1vsy h VAL 4188Ca -0.48 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.14 1vsy h VAL 4188Cb 1.23 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.89 1vsy h VAL 4188CO 0.74 0.00 -0.20 -0.08 0.02 0.00 0.00 177.57 178.05 1vsy h GLU 4189N -0.63 -0.07 0.00 1.57 4.81 -1.97 -2.06 114.58 116.22 1vsy h GLU 4189Ca -0.01 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1vsy h GLU 4189Cb 0.62 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 1vsy h GLU 4189CO -0.20 -0.05 -0.13 1.05 -0.73 0.00 0.00 179.01 178.95 1vsy h GLU 4190N -0.07 0.00 0.00 1.92 4.11 -1.93 -2.51 114.58 116.10 1vsy h GLU 4190Ca 0.26 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.62 1vsy h GLU 4190Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1vsy h GLU 4190CO -0.60 0.13 -0.32 0.00 0.07 0.00 0.00 179.01 178.29 1vsy h VAL 4192N 0.00 1.37 -0.83 0.00 2.07 -1.50 -3.27 116.25 114.10 1vsy h VAL 4192Ca -0.00 -2.58 0.32 0.00 0.82 0.00 0.00 66.70 65.25 1vsy h VAL 4192Cb 0.60 3.04 -0.15 0.00 -1.52 0.00 0.00 31.29 33.26 1vsy h VAL 4192CO 0.04 0.76 0.35 1.17 0.02 0.00 0.00 177.57 179.91 1vsy n LYS 4193N -3.90 -0.05 0.06 1.57 4.81 -0.87 -0.51 118.16 119.26 1vsy n LYS 4193Ca -0.15 1.16 -0.20 0.00 -0.87 0.00 0.00 58.31 58.25 1vsy n LYS 4193Cb 0.97 -2.03 -0.15 0.00 0.02 0.00 0.00 35.03 33.84 1vsy n LYS 4193CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1vsy h LEU 4194N 0.00 0.51 -1.93 3.14 5.85 -1.60 -3.30 115.31 117.98 1vsy h LEU 4194Ca 0.66 -0.95 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 1vsy h LEU 4194Cb 1.67 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.53 1vsy h LEU 4194CO -0.67 1.42 -0.09 0.74 -0.34 0.00 0.00 178.44 179.51 1vsy h THR 4195N -0.32 0.91 0.44 1.05 2.02 -0.85 -2.76 112.91 113.41 1vsy h THR 4195Ca -0.15 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 1vsy h THR 4195Cb 1.69 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1vsy h THR 4195CO 0.17 0.08 -0.21 0.58 0.37 0.00 0.00 175.52 176.51 1vsy h VAL 4196N 0.00 0.00 -0.98 3.16 2.07 -1.54 -3.19 116.25 115.77 1vsy h VAL 4196Ca -0.00 -0.25 0.40 0.00 0.82 0.00 0.00 66.70 67.67 1vsy h VAL 4196Cb 0.17 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.76 1vsy h VAL 4196CO 0.01 0.00 0.50 0.54 0.02 0.00 0.00 177.57 178.64 1vsy n ARG 4197N -4.29 -0.06 0.10 1.57 1.74 -1.06 -0.39 116.66 114.26 1vsy n ARG 4197Ca -0.07 1.36 0.12 0.00 -0.77 0.00 0.00 57.85 58.49 1vsy n ARG 4197Cb 0.23 -2.43 0.45 0.00 -1.02 0.00 0.00 32.46 29.70 1vsy n ARG 4197CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1vsy n SER 4198N -5.23 0.62 -0.04 0.55 3.41 -1.09 -2.86 113.62 108.97 1vsy n SER 4198Ca 0.36 0.60 0.01 0.00 -0.26 0.00 0.00 58.87 59.58 1vsy n SER 4198Cb 1.24 -0.75 -0.14 0.00 -0.26 0.00 0.00 64.21 64.30 1vsy n SER 4198CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1vsy n LEU 4199N -2.12 0.00 0.28 1.04 4.77 0.48 -4.31 117.00 117.13 1vsy n LEU 4199Ca 0.04 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.20 1vsy n LEU 4199Cb 0.33 0.20 0.95 0.00 -2.33 0.00 0.00 43.42 42.56 1vsy n LEU 4199CO 0.25 0.20 1.15 -0.07 -1.33 0.00 0.00 177.39 177.59 1vsy h LEU 4200N 0.00 0.00 -0.74 2.23 3.38 -1.30 -0.88 115.31 118.01 1vsy h LEU 4200Ca -0.22 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 1vsy h LEU 4200Cb 1.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 1vsy h LEU 4200CO 0.01 0.00 -0.24 -0.33 0.09 0.00 0.00 178.44 177.97 1vsy h GLU 4201N 0.00 0.71 0.00 1.13 4.39 -1.75 -3.35 114.58 115.71 1vsy h GLU 4201Ca 0.04 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1vsy h GLU 4201Cb 0.34 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1vsy h GLU 4201CO -0.00 0.88 -0.92 0.28 -1.16 0.00 0.00 179.01 178.09 1vsy n VAL 4202N -4.11 0.00 0.00 3.13 0.31 -0.52 -5.01 118.33 112.13 1vsy n VAL 4202Ca -0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1vsy n VAL 4202Cb 0.43 0.67 0.00 0.00 -0.91 0.00 0.00 33.84 34.03 1vsy n VAL 4202CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1vsy n VAL 4203N -1.51 0.00 -1.47 2.52 0.24 -0.45 -5.02 118.33 112.63 1vsy n VAL 4203Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 1vsy n VAL 4203Cb 0.20 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.56 1vsy n VAL 4203CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vsy n GLN 4204N 0.00 0.00 0.00 7.34 6.02 -1.26 -5.00 117.38 124.48 1vsy n GLN 4204Ca 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 1vsy n GLN 4204Cb 0.00 0.24 0.00 0.00 1.02 0.00 0.00 30.24 31.50 1vsy n GLN 4204CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1vsy n THR 4205N 0.00 0.00 0.00 5.09 5.66 -1.26 -5.07 114.28 118.70 1vsy n THR 4205Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1vsy n THR 4205Cb 0.27 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.05 1vsy n THR 4205CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1vsy n GLY 4206N -0.89 0.32 0.44 1.09 0.00 -1.26 -4.87 105.19 100.02 1vsy n GLY 4206Ca 0.00 -1.52 0.26 0.00 0.00 0.00 0.00 46.02 44.75 1vsy n GLY 4206CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vsy h ALA 4207N 0.00 2.47 0.00 4.61 0.00 -1.92 0.41 119.26 124.84 1vsy h ALA 4207Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1vsy h ALA 4207Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1vsy h ALA 4207CO 0.00 -0.84 0.00 1.63 0.00 0.00 0.00 179.25 180.04 1vsy n LYS 4208N -4.49 0.56 -0.12 0.00 5.02 -1.26 -3.93 118.16 113.93 1vsy n LYS 4208Ca 0.24 0.02 -0.25 0.00 -2.02 0.00 0.00 58.31 56.30 1vsy n LYS 4208Cb 0.95 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 34.37 1vsy n LYS 4208CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1vsy n ASN 4209N -1.04 1.85 -3.98 4.39 5.15 0.14 -3.95 115.26 117.83 1vsy n ASN 4209Ca 0.14 0.32 -0.18 0.00 -0.60 0.00 0.00 54.58 54.26 1vsy n ASN 4209Cb 0.08 -0.76 -0.15 0.00 -0.53 0.00 0.00 39.78 38.42 1vsy n ASN 4209CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1vsy s ILE 4210N -2.54 0.58 0.50 -1.44 1.01 -1.25 -3.54 121.20 114.52 1vsy s ILE 4210Ca -0.35 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1vsy s ILE 4210Cb 0.12 -0.50 0.02 0.00 0.01 0.00 0.00 42.46 42.11 1vsy s ILE 4210CO 0.45 0.18 0.19 -0.62 0.00 0.00 0.00 174.94 175.14 1vsy n GLU 4211N 3.08 0.78 -3.86 2.79 -0.58 -1.25 -4.86 120.64 116.73 1vsy n GLU 4211Ca -0.15 -3.39 -0.09 0.00 -0.42 0.00 0.00 57.16 53.11 1vsy n GLU 4211Cb 0.56 0.65 -0.08 0.00 -0.57 0.00 0.00 31.44 32.01 1vsy n GLU 4211CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1vsy s ILE 4212N -2.66 0.13 0.26 -3.67 -4.36 -1.26 -2.58 121.20 107.05 1vsy s ILE 4212Ca 0.14 -1.07 0.09 0.00 -0.26 0.00 0.00 60.65 59.56 1vsy s ILE 4212Cb -0.01 -1.15 -0.05 0.00 1.25 0.00 0.00 42.46 42.49 1vsy s ILE 4212CO 0.09 -0.59 -0.14 -0.89 0.24 0.00 0.00 174.94 173.64 1vsy s THR 4213N -3.29 2.05 -0.15 8.37 2.01 -1.26 -0.79 115.64 122.58 1vsy s THR 4213Ca 0.01 -2.27 -0.05 0.00 0.31 0.00 0.00 61.69 59.69 1vsy s THR 4213Cb 0.02 -2.27 0.07 0.00 0.01 0.00 0.00 72.50 70.34 1vsy s THR 4213CO -0.08 -0.43 0.27 -0.69 -0.69 0.00 0.00 174.62 173.00 1vsy s VAL 4214N -2.77 -0.42 -0.15 3.82 1.01 -1.21 -2.88 120.40 117.80 1vsy s VAL 4214Ca 0.27 0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.45 1vsy s VAL 4214Cb -0.01 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 1vsy s VAL 4214CO 0.12 0.06 -0.10 0.54 0.00 0.00 0.00 175.10 175.72 1vsy s VAL 4215N 2.42 3.29 0.28 2.92 0.11 -0.96 -1.18 120.40 127.28 1vsy s VAL 4215Ca 0.02 -0.57 0.12 0.00 -2.93 0.00 0.00 61.98 58.62 1vsy s VAL 4215Cb -0.13 -2.42 -0.05 0.00 -1.53 0.00 0.00 36.38 32.26 1vsy s VAL 4215CO -0.09 0.50 -0.16 -0.54 -3.33 0.00 0.00 175.10 171.47 1vsy s LYS 4216N 0.54 1.79 0.28 1.54 1.02 -0.93 -2.05 119.74 121.93 1vsy s LYS 4216Ca -0.06 -1.72 -0.26 0.00 0.02 0.00 0.00 55.97 53.95 1vsy s LYS 4216Cb -0.15 -1.83 -0.16 0.00 -0.52 0.00 0.00 37.83 35.16 1vsy s LYS 4216CO 0.03 0.33 0.43 -2.30 -0.92 0.00 0.00 175.35 172.92 1vsy n PRO 4217N -0.67 0.14 -2.90 -1.68 -0.02 -1.26 -2.98 135.00 125.63 1vsy n PRO 4217Ca -0.05 0.05 -0.09 0.00 -2.02 0.00 0.00 63.50 61.39 1vsy n PRO 4217Cb 0.60 -1.10 0.04 0.00 -0.02 0.00 0.00 33.50 33.02 1vsy n PRO 4217CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1vsy n ASP 4218N 1.99 -6.13 -3.80 2.55 10.43 -1.26 -4.05 116.55 116.27 1vsy n ASP 4218Ca 0.15 -0.43 -0.27 0.00 2.57 0.00 0.00 54.79 56.81 1vsy n ASP 4218Cb 0.31 -4.45 0.04 0.00 1.84 0.00 0.00 41.12 38.86 1vsy n ASP 4218CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1vsy n SER 4219N -2.55 -4.27 -3.69 -2.24 7.64 -1.25 -4.92 113.62 102.33 1vsy n SER 4219Ca -0.04 -0.74 -0.32 0.00 1.01 0.00 0.00 58.87 58.78 1vsy n SER 4219Cb 0.57 -4.16 -0.06 0.00 -1.01 0.00 0.00 64.21 59.55 1vsy n SER 4219CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1vsy n ASP 4220N -2.92 4.33 -4.51 6.43 -0.08 -1.16 -4.82 116.55 113.82 1vsy n ASP 4220Ca -0.04 -3.38 -0.42 0.00 -1.51 0.00 0.00 54.79 49.45 1vsy n ASP 4220Cb 0.57 -0.86 -0.09 0.00 2.34 0.00 0.00 41.12 43.07 1vsy n ASP 4220CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1vsy s ILE 4221N -2.30 5.19 -0.44 5.18 1.01 -1.26 -2.18 121.20 126.39 1vsy s ILE 4221Ca 0.35 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 60.79 1vsy s ILE 4221Cb 0.08 -3.88 0.12 0.00 0.01 0.00 0.00 42.46 38.79 1vsy s ILE 4221CO -0.02 -0.21 0.19 0.68 0.00 0.00 0.00 174.94 175.59 1vsy s VAL 4222N 1.93 2.04 0.43 2.92 -7.23 -0.32 -4.99 120.40 115.18 1vsy s VAL 4222Ca 0.10 -2.72 -0.25 0.00 -1.81 0.00 0.00 61.98 57.30 1vsy s VAL 4222Cb -0.17 -2.45 -0.08 0.00 0.56 0.00 0.00 36.38 34.24 1vsy s VAL 4222CO 0.12 -0.77 1.28 0.00 -0.31 0.00 0.00 175.10 175.41 1vsy s ALA 4223N 0.32 3.15 0.18 1.32 0.00 -1.26 -3.31 121.76 122.16 1vsy s ALA 4223Ca 0.15 1.17 -0.14 0.00 0.00 0.00 0.00 51.96 53.14 1vsy s ALA 4223Cb -0.23 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.34 1vsy s ALA 4223CO -0.04 -0.84 0.59 -0.51 0.00 0.00 0.00 175.76 174.96 1vsy s LEU 4224N -2.67 4.29 0.00 0.00 1.43 0.03 -4.91 118.68 116.85 1vsy s LEU 4224Ca 0.60 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 1vsy s LEU 4224Cb -0.36 -3.44 0.00 0.00 0.03 0.00 0.00 46.19 42.43 1vsy s LEU 4224CO 0.45 0.04 0.04 -1.54 0.23 0.00 0.00 176.35 175.57 1vsy n SER 4225N 0.57 0.07 -0.09 2.29 3.41 -1.26 -4.49 113.62 114.11 1vsy n SER 4225Ca -0.03 -1.05 -0.13 0.00 -0.26 0.00 0.00 58.87 57.40 1vsy n SER 4225Cb 0.52 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.44 1vsy n SER 4225CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1vsy h SER 4226N -0.01 0.93 1.25 4.04 0.02 -1.98 -3.20 113.55 114.60 1vsy h SER 4226Ca -0.01 -0.45 -0.07 0.00 -0.84 0.00 0.00 61.79 60.42 1vsy h SER 4226Cb 0.05 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1vsy h SER 4226CO 0.01 1.23 -0.33 -0.33 -1.14 0.00 0.00 176.83 176.27 1vsy h GLU 4227N 0.69 0.00 0.00 3.45 3.07 -1.98 -2.87 114.58 116.94 1vsy h GLU 4227Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1vsy h GLU 4227Cb 1.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 1vsy h GLU 4227CO 0.10 0.33 -0.48 0.93 -1.40 0.00 0.00 179.01 178.49 1vsy h GLU 4228N 0.00 0.00 0.00 2.33 5.08 -1.96 -3.21 114.58 116.81 1vsy h GLU 4228Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1vsy h GLU 4228Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1vsy h GLU 4228CO 0.04 0.00 -0.47 0.82 -1.00 0.00 0.00 179.01 178.40 1vsy h ILE 4229N 0.00 0.00 -0.42 3.13 2.04 -1.50 -3.30 117.51 117.46 1vsy h ILE 4229Ca 0.00 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1vsy h ILE 4229Cb 0.88 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1vsy h ILE 4229CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.74 1vsy n ASN 4230N -2.71 3.14 -1.38 1.72 4.13 -1.12 -2.60 115.26 116.43 1vsy n ASN 4230Ca 0.03 -1.96 0.09 0.00 1.68 0.00 0.00 54.58 54.41 1vsy n ASN 4230Cb 0.51 -0.28 0.31 0.00 -1.54 0.00 0.00 39.78 38.79 1vsy n ASN 4230CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vsy n GLN 4231N 0.87 3.20 0.04 3.52 6.02 -1.21 -3.91 117.38 125.90 1vsy n GLN 4231Ca 0.15 -2.47 0.00 0.00 -0.01 0.00 0.00 57.00 54.67 1vsy n GLN 4231Cb 0.47 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 29.98 1vsy n GLN 4231CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1vsy n TYR 4232N 1.06 -0.24 -0.24 1.08 4.01 -1.24 -4.56 117.16 117.03 1vsy n TYR 4232Ca 0.22 0.04 0.02 0.00 -0.16 0.00 0.00 57.90 58.03 1vsy n TYR 4232Cb 0.74 0.08 0.15 0.00 -0.31 0.00 0.00 39.34 39.99 1vsy n TYR 4232CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 1vsy h VAL 4233N 0.00 0.79 -0.86 -0.72 -1.51 -1.74 0.78 116.25 112.99 1vsy h VAL 4233Ca 0.00 -0.18 -0.45 0.00 -1.23 0.00 0.00 66.70 64.84 1vsy h VAL 4233Cb 0.00 0.21 -0.17 0.00 -2.13 0.00 0.00 31.29 29.20 1vsy h VAL 4233CO 0.00 0.10 0.42 0.35 -1.23 0.00 0.00 177.57 177.21 1vsy n THR 4234N -4.92 3.14 -1.75 7.19 -2.24 -1.25 -2.16 114.28 112.30 1vsy n THR 4234Ca 0.12 -2.52 0.00 0.00 -2.27 0.00 0.00 64.05 59.38 1vsy n THR 4234Cb 0.31 -1.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 1vsy n THR 4234CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1vsy n GLN 4235N 0.60 0.00 -0.07 -0.78 7.27 0.05 -4.85 117.38 119.60 1vsy n GLN 4235Ca 0.43 -0.04 -0.06 0.00 0.07 0.00 0.00 57.00 57.39 1vsy n GLN 4235Cb 0.56 -0.13 -0.02 0.00 2.41 0.00 0.00 30.24 33.07 1vsy n GLN 4235CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1vsy n ILE 4236N 0.00 1.26 0.85 1.69 5.41 0.02 -4.43 119.36 124.15 1vsy n ILE 4236Ca 0.00 0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.97 1vsy n ILE 4236Cb 0.33 -2.25 0.00 0.00 -0.71 0.00 0.00 39.64 37.02 1vsy n ILE 4236CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1vsy n GLU 4237N -4.22 0.44 -0.03 0.38 1.02 -0.92 -1.49 120.64 115.81 1vsy n GLU 4237Ca -0.10 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.03 1vsy n GLU 4237Cb 0.36 -1.01 -0.00 0.00 -0.02 0.00 0.00 31.44 30.77 1vsy n GLU 4237CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1vsy h GLN 4238N 0.04 0.00 -0.44 3.49 4.20 -1.83 -3.37 115.11 117.20 1vsy h GLN 4238Ca 0.00 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.84 1vsy h GLN 4238Cb 0.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1vsy h GLN 4238CO 0.00 0.00 0.34 0.93 -0.67 0.00 0.00 178.83 179.43 1vsy h GLU 4239N -0.54 0.00 0.00 1.46 5.08 -1.51 -3.18 114.58 115.89 1vsy h GLU 4239Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1vsy h GLU 4239Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1vsy h GLU 4239CO 0.00 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.18 1vsy n LYS 4240N -4.23 0.00 0.15 2.33 4.81 -0.56 -2.99 118.16 117.68 1vsy n LYS 4240Ca 0.08 0.51 0.10 0.00 -0.87 0.00 0.00 58.31 58.13 1vsy n LYS 4240Cb 0.54 -1.27 0.54 0.00 0.02 0.00 0.00 35.03 34.87 1vsy n LYS 4240CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1vsy n GLN 4241N -1.67 0.13 -1.98 1.64 6.02 -1.20 -4.54 117.38 115.78 1vsy n GLN 4241Ca 0.00 0.63 -0.32 0.00 -0.01 0.00 0.00 57.00 57.30 1vsy n GLN 4241Cb 0.00 -1.93 -0.04 0.00 1.02 0.00 0.00 30.24 29.29 1vsy n GLN 4241CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1vsy s GLU 4242N -3.51 2.49 0.00 -1.09 2.02 -1.16 -5.17 118.70 112.28 1vsy s GLU 4242Ca -0.02 0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.23 1vsy s GLU 4242Cb 0.06 -4.72 0.00 0.00 0.10 0.00 0.00 34.13 29.57 1vsy s GLU 4242CO 0.18 -3.16 0.35 0.94 0.02 0.00 0.00 175.26 173.59