#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d1z h ALA 4005N 0.00 1.46 -0.00 3.52 0.00 -1.96 -1.12 119.26 121.16 1d1z h ALA 4005Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1d1z h ALA 4005Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1d1z h ALA 4005CO 0.00 0.09 -0.14 1.33 0.00 0.00 0.00 179.25 180.53 1d1z n VAL 4006N -3.84 0.00 -2.85 0.00 0.24 -1.26 -4.42 118.33 106.19 1d1z n VAL 4006Ca -0.02 -0.07 -0.41 0.00 -2.04 0.00 0.00 64.34 61.79 1d1z n VAL 4006Cb 0.16 -0.02 -0.04 0.00 -1.47 0.00 0.00 33.84 32.48 1d1z n VAL 4006CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1d1z s TYR 4007N -2.50 3.50 -0.38 6.34 5.04 -0.42 -1.14 117.35 127.79 1d1z s TYR 4007Ca 0.28 1.38 0.03 0.00 -2.44 0.00 0.00 57.07 56.32 1d1z s TYR 4007Cb 0.20 -3.03 0.11 0.00 0.35 0.00 0.00 41.96 39.59 1d1z s TYR 4007CO 0.49 -0.15 0.11 -1.01 -1.34 0.00 0.00 175.55 173.64 1d1z s HIS 4008N 1.74 3.38 0.72 4.97 3.76 -0.17 -4.93 115.29 124.75 1d1z s HIS 4008Ca 0.42 -2.91 -0.11 0.00 -0.15 0.00 0.00 55.06 52.31 1d1z s HIS 4008Cb -0.18 -2.75 0.02 0.00 1.11 0.00 0.00 32.58 30.78 1d1z s HIS 4008CO 0.16 -0.89 1.07 0.20 -0.85 0.00 0.00 174.74 174.43 1d1z s GLY 4009N 0.68 1.66 -0.63 -2.22 0.00 -1.26 -4.08 107.32 101.46 1d1z s GLY 4009Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.86 1d1z s GLY 4009CO -0.07 0.35 0.00 0.28 0.00 0.00 0.00 173.10 173.66 1d1z n LYS 4010N -3.19 -0.87 -4.17 2.90 4.76 -1.26 -4.99 118.16 111.34 1d1z n LYS 4010Ca 0.07 0.60 -0.28 0.00 -2.87 0.00 0.00 58.31 55.84 1d1z n LYS 4010Cb 0.54 -4.47 -0.08 0.00 -1.84 0.00 0.00 35.03 29.18 1d1z n LYS 4010CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1d1z s ILE 4011N -1.99 3.89 0.65 -0.18 -4.36 -1.26 -5.13 121.20 112.81 1d1z s ILE 4011Ca 0.00 -1.24 -0.06 0.00 -0.26 0.00 0.00 60.65 59.09 1d1z s ILE 4011Cb 0.00 -2.92 0.04 0.00 1.25 0.00 0.00 42.46 40.82 1d1z s ILE 4011CO 0.00 -0.03 0.95 -0.94 0.24 0.00 0.00 174.94 175.16 1d1z s SER 4012N -2.74 5.19 0.20 4.36 1.04 -1.26 -4.62 113.70 115.87 1d1z s SER 4012Ca 0.27 0.55 -0.12 0.00 0.48 0.00 0.00 55.95 57.14 1d1z s SER 4012Cb -0.10 -1.37 0.24 0.00 0.10 0.00 0.00 66.02 64.89 1d1z s SER 4012CO 0.19 -1.33 1.70 -0.09 0.98 0.00 0.00 173.24 174.69 1d1z h ARG 4013N -0.38 0.22 -0.54 4.02 2.43 -2.00 -1.78 114.38 116.36 1d1z h ARG 4013Ca -0.45 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 1d1z h ARG 4013Cb 1.29 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.76 1d1z h ARG 4013CO 0.60 0.14 0.30 1.49 -1.51 0.00 0.00 179.97 181.00 1d1z h GLU 4014N 0.22 0.74 -0.38 0.20 4.81 -1.99 -0.33 114.58 117.85 1d1z h GLU 4014Ca 0.28 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1d1z h GLU 4014Cb 0.41 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1d1z h GLU 4014CO -0.38 0.56 0.22 1.15 -0.73 0.00 0.00 179.01 179.83 1d1z h THR 4015N 0.72 1.14 -0.66 0.32 2.02 -1.87 -0.56 112.91 114.01 1d1z h THR 4015Ca 0.19 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 1d1z h THR 4015Cb 0.03 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1d1z h THR 4015CO -0.03 0.14 0.24 1.23 0.37 0.00 0.00 175.52 177.46 1d1z h GLY 4016N 0.49 1.07 1.26 2.16 0.00 -0.92 -1.84 103.07 105.28 1d1z h GLY 4016Ca 0.14 -0.58 -0.18 0.00 0.00 0.00 0.00 47.33 46.70 1d1z h GLY 4016CO -0.02 0.55 -0.56 0.83 0.00 0.00 0.00 176.54 177.33 1d1z h GLU 4017N 0.97 0.78 -0.85 4.80 5.08 -0.81 -1.12 114.58 123.43 1d1z h GLU 4017Ca 0.22 -0.50 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1d1z h GLU 4017Cb 0.23 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1d1z h GLU 4017CO -0.01 1.13 0.48 0.87 -1.00 0.00 0.00 179.01 180.48 1d1z h LYS 4018N 0.59 1.16 0.09 2.33 1.57 -0.79 0.99 116.57 122.52 1d1z h LYS 4018Ca 0.01 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1d1z h LYS 4018Cb 1.15 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1d1z h LYS 4018CO 0.12 0.84 -0.04 1.25 -0.57 0.00 0.00 179.45 181.05 1d1z h LEU 4019N 1.17 -0.10 -0.74 2.94 5.85 -1.24 -1.37 115.31 121.81 1d1z h LEU 4019Ca 0.30 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1d1z h LEU 4019Cb -0.00 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1d1z h LEU 4019CO -0.05 0.12 0.39 -0.07 -0.34 0.00 0.00 178.44 178.49 1d1z h LEU 4020N -0.32 0.94 -0.97 2.25 3.38 -0.90 -2.43 115.31 117.26 1d1z h LEU 4020Ca -0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1d1z h LEU 4020Cb 0.27 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1d1z h LEU 4020CO 0.02 0.78 0.49 -0.07 0.09 0.00 0.00 178.44 179.75 1d1z h LEU 4021N 1.03 1.08 -1.43 1.67 3.38 -0.70 -1.65 115.31 118.70 1d1z h LEU 4021Ca 0.26 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.22 1d1z h LEU 4021Cb 0.06 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 1d1z h LEU 4021CO -0.04 0.86 0.46 0.00 0.09 0.00 0.00 178.44 179.82 1d1z h ALA 4022N 1.32 1.78 -0.28 1.53 0.00 -0.76 -1.98 119.26 120.86 1d1z h ALA 4022Ca 0.31 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1d1z h ALA 4022Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1d1z h ALA 4022CO -0.05 0.10 -0.18 1.79 0.00 0.00 0.00 179.25 180.90 1d1z h THR 4023N 0.67 1.25 -1.35 0.00 1.35 -1.04 -3.47 112.91 110.32 1d1z h THR 4023Ca 0.31 -1.13 -0.41 0.00 -0.55 0.00 0.00 66.41 64.63 1d1z h THR 4023Cb 0.35 1.23 -0.13 0.00 -1.73 0.00 0.00 68.15 67.86 1d1z h THR 4023CO -0.10 0.37 -0.40 0.61 -0.25 0.00 0.00 175.52 175.74 1d1z n GLY 4024N -0.51 1.44 3.34 5.82 0.00 -0.75 -4.98 105.19 109.55 1d1z n GLY 4024Ca 0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1d1z n GLY 4024CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d1z s LEU 4025N -4.84 2.64 0.22 0.99 1.43 -1.26 -4.99 118.68 112.87 1d1z s LEU 4025Ca 0.00 -0.37 -0.32 0.00 -1.03 0.00 0.00 54.13 52.41 1d1z s LEU 4025Cb 0.00 -1.60 -0.12 0.00 0.03 0.00 0.00 46.19 44.51 1d1z s LEU 4025CO 0.00 0.14 1.70 -1.81 0.23 0.00 0.00 176.35 176.61 1d1z s ASP 4026N 0.50 6.38 0.00 2.29 1.01 -1.26 -1.80 116.67 123.79 1d1z s ASP 4026Ca -0.09 2.88 0.00 0.00 0.71 0.00 0.00 52.55 56.05 1d1z s ASP 4026Cb -0.16 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.17 1d1z s ASP 4026CO 0.04 -0.96 0.00 0.61 0.21 0.00 0.00 175.17 175.07 1d1z n GLY 4027N 3.63 0.71 3.77 0.21 0.00 -0.11 -4.77 105.19 108.62 1d1z n GLY 4027Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1d1z n GLY 4027CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d1z s SER 4028N -2.34 6.51 0.11 1.61 0.01 -0.74 -0.69 113.70 118.17 1d1z s SER 4028Ca 0.00 2.90 -0.15 0.00 1.31 0.00 0.00 55.95 60.01 1d1z s SER 4028Cb 0.00 -2.66 0.03 0.00 0.21 0.00 0.00 66.02 63.60 1d1z s SER 4028CO 0.00 -0.75 0.37 -0.72 0.41 0.00 0.00 173.24 172.56 1d1z s TYR 4029N -1.03 -0.16 0.23 2.43 -0.85 -0.77 -1.00 117.35 116.19 1d1z s TYR 4029Ca 0.52 -0.13 -0.11 0.00 -0.52 0.00 0.00 57.07 56.83 1d1z s TYR 4029Cb -0.44 0.21 -0.01 0.00 0.38 0.00 0.00 41.96 42.10 1d1z s TYR 4029CO 0.58 -0.66 0.41 -0.48 -1.52 0.00 0.00 175.55 173.88 1d1z s LEU 4030N -2.69 0.51 -0.04 -3.49 0.05 -0.51 -1.15 118.68 111.37 1d1z s LEU 4030Ca 0.02 -0.98 0.06 0.00 0.05 0.00 0.00 54.13 53.28 1d1z s LEU 4030Cb 0.02 1.50 -0.02 0.00 -2.05 0.00 0.00 46.19 45.64 1d1z s LEU 4030CO -0.10 -1.07 -0.21 -0.22 -0.55 0.00 0.00 176.35 174.20 1d1z s LEU 4031N -3.03 2.34 0.25 1.48 2.96 -0.29 -1.10 118.68 121.29 1d1z s LEU 4031Ca 0.24 -0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 53.74 1d1z s LEU 4031Cb 0.01 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.25 1d1z s LEU 4031CO 0.08 0.32 0.34 0.00 -1.32 0.00 0.00 176.35 175.77 1d1z s ARG 4032N -0.59 1.51 0.29 1.98 1.70 -0.57 -1.00 118.95 122.26 1d1z s ARG 4032Ca 0.09 -1.54 -0.28 0.00 -0.47 0.00 0.00 55.73 53.52 1d1z s ARG 4032Cb -0.11 0.38 -0.09 0.00 -0.57 0.00 0.00 34.95 34.56 1d1z s ARG 4032CO 0.00 -0.58 1.01 -0.51 -1.08 0.00 0.00 175.30 174.14 1d1z s ASP 4033N -3.14 7.34 0.17 -2.89 -0.00 -1.26 -0.10 116.67 116.79 1d1z s ASP 4033Ca 0.31 2.04 -0.31 0.00 -0.00 0.00 0.00 52.55 54.60 1d1z s ASP 4033Cb 0.02 -2.61 -0.09 0.00 -0.00 0.00 0.00 42.92 40.25 1d1z s ASP 4033CO 0.14 -0.07 1.37 -0.55 -0.00 0.00 0.00 175.17 176.05 1d1z s SER 4034N -1.22 6.82 0.28 0.27 0.15 -0.06 -4.67 113.70 115.27 1d1z s SER 4034Ca 0.46 2.43 0.19 0.00 0.70 0.00 0.00 55.95 59.73 1d1z s SER 4034Cb -0.26 -2.60 0.11 0.00 -1.71 0.00 0.00 66.02 61.56 1d1z s SER 4034CO 0.33 -0.61 1.34 -0.33 1.20 0.00 0.00 173.24 175.16 1d1z h GLU 4035N 5.90 0.00 0.09 5.44 5.08 -1.94 -3.38 114.58 125.77 1d1z h GLU 4035Ca -0.44 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.61 1d1z h GLU 4035Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1d1z h GLU 4035CO 0.81 0.24 -1.63 0.77 -1.00 0.00 0.00 179.01 178.21 1d1z h SER 4036N 0.00 0.30 -3.41 1.42 0.02 -1.97 -3.43 113.55 106.48 1d1z h SER 4036Ca -0.03 -0.48 -0.61 0.00 -0.84 0.00 0.00 61.79 59.83 1d1z h SER 4036Cb 1.24 -0.10 -0.40 0.00 0.14 0.00 0.00 62.40 63.28 1d1z h SER 4036CO 0.03 1.41 -0.74 -0.69 -1.14 0.00 0.00 176.83 175.71 1d1z s VAL 4037N -2.61 1.44 0.30 2.27 1.01 -1.26 -5.13 120.40 116.42 1d1z s VAL 4037Ca -0.10 -1.90 -0.28 0.00 0.00 0.00 0.00 61.98 59.69 1d1z s VAL 4037Cb 0.07 -2.07 -0.13 0.00 0.00 0.00 0.00 36.38 34.25 1d1z s VAL 4037CO 0.83 -0.68 1.15 -2.65 0.00 0.00 0.00 175.10 173.75 1d1z n PRO 4038N 4.44 1.70 0.00 2.72 -0.02 -1.26 -2.28 135.00 140.30 1d1z n PRO 4038Ca 0.01 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1d1z n PRO 4038Cb 0.41 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1d1z n PRO 4038CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d1z n GLY 4039N 1.12 1.56 3.73 -1.23 0.00 -1.26 -5.04 105.19 104.08 1d1z n GLY 4039Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1d1z n GLY 4039CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d1z s VAL 4040N -2.33 3.93 0.33 1.61 1.01 -0.97 -4.80 120.40 119.18 1d1z s VAL 4040Ca 0.00 -1.67 0.09 0.00 0.00 0.00 0.00 61.98 60.40 1d1z s VAL 4040Cb 0.00 -3.11 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 1d1z s VAL 4040CO 0.00 -0.36 -0.09 -0.31 0.00 0.00 0.00 175.10 174.34 1d1z s TYR 4041N -2.23 2.28 -0.15 5.22 1.51 0.23 -0.88 117.35 123.33 1d1z s TYR 4041Ca 0.32 -0.56 0.00 0.00 -1.01 0.00 0.00 57.07 55.83 1d1z s TYR 4041Cb -0.07 -1.31 0.03 0.00 -0.11 0.00 0.00 41.96 40.50 1d1z s TYR 4041CO 0.22 0.50 -0.13 0.00 -1.11 0.00 0.00 175.55 175.03 1d1z s LEU 4043N 1.49 4.17 -0.15 0.00 2.96 0.02 -1.51 118.68 125.65 1d1z s LEU 4043Ca 0.04 0.34 -0.00 0.00 -0.22 0.00 0.00 54.13 54.29 1d1z s LEU 4043Cb -0.13 -2.92 -0.01 0.00 0.50 0.00 0.00 46.19 43.63 1d1z s LEU 4043CO -0.10 -0.63 -0.14 0.00 -1.32 0.00 0.00 176.35 174.16 1d1z s VAL 4045N 0.70 0.91 0.02 0.00 1.01 0.09 -1.42 120.40 121.71 1d1z s VAL 4045Ca -0.07 -0.40 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 1d1z s VAL 4045Cb -0.15 -0.82 -0.06 0.00 0.00 0.00 0.00 36.38 35.35 1d1z s VAL 4045CO 0.02 0.29 0.53 -0.22 0.00 0.00 0.00 175.10 175.71 1d1z s LEU 4046N 0.36 4.46 -0.16 3.92 2.96 -0.17 -0.15 118.68 129.91 1d1z s LEU 4046Ca -0.07 1.12 -0.06 0.00 -0.22 0.00 0.00 54.13 54.91 1d1z s LEU 4046Cb -0.11 -2.81 0.07 0.00 0.50 0.00 0.00 46.19 43.84 1d1z s LEU 4046CO 0.01 0.22 0.33 -0.47 -1.32 0.00 0.00 176.35 175.12 1d1z s TYR 4047N -0.70 -0.58 -1.49 5.38 6.14 0.16 -0.94 117.35 125.32 1d1z s TYR 4047Ca 0.28 1.20 -0.07 0.00 0.64 0.00 0.00 57.07 59.12 1d1z s TYR 4047Cb -0.18 0.12 0.06 0.00 0.42 0.00 0.00 41.96 42.38 1d1z s TYR 4047CO 0.16 -0.40 0.67 0.72 0.64 0.00 0.00 175.55 177.35 1d1z n HIS 4048N 5.24 -1.85 -0.99 4.97 8.25 -1.26 -1.86 115.22 127.71 1d1z n HIS 4048Ca -0.09 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.18 1d1z n HIS 4048Cb 0.50 -3.72 0.00 0.00 1.12 0.00 0.00 29.99 27.90 1d1z n HIS 4048CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1d1z n GLY 4049N -1.72 0.87 3.37 -1.41 0.00 -1.26 -5.02 105.19 100.01 1d1z n GLY 4049Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1d1z n GLY 4049CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1d1z s TYR 4050N -3.50 2.28 -0.19 1.61 1.51 -0.78 -5.03 117.35 113.26 1d1z s TYR 4050Ca 0.00 -0.39 -0.11 0.00 -1.01 0.00 0.00 57.07 55.56 1d1z s TYR 4050Cb 0.00 -1.28 -0.05 0.00 -0.11 0.00 0.00 41.96 40.52 1d1z s TYR 4050CO 0.00 0.26 0.17 0.42 -1.11 0.00 0.00 175.55 175.29 1d1z s ILE 4051N -0.98 5.39 -0.17 2.71 -1.09 -1.26 -0.66 121.20 125.14 1d1z s ILE 4051Ca 0.13 0.27 -0.05 0.00 -2.23 0.00 0.00 60.65 58.77 1d1z s ILE 4051Cb -0.10 -3.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 1d1z s ILE 4051CO 0.05 0.44 -0.01 -0.31 -1.23 0.00 0.00 174.94 173.88 1d1z s TYR 4052N 0.28 3.08 -0.13 3.97 1.51 0.79 -4.94 117.35 121.92 1d1z s TYR 4052Ca 0.10 -0.22 0.02 0.00 -1.01 0.00 0.00 57.07 55.96 1d1z s TYR 4052Cb -0.12 -2.01 0.00 0.00 -0.11 0.00 0.00 41.96 39.73 1d1z s TYR 4052CO -0.00 -0.01 -0.21 0.99 -1.11 0.00 0.00 175.55 175.21 1d1z s THR 4053N 0.45 2.23 -0.10 -0.71 2.01 -1.26 -0.73 115.64 117.53 1d1z s THR 4053Ca -0.02 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.09 1d1z s THR 4053Cb -0.14 -1.90 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 1d1z s THR 4053CO 0.02 0.54 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.97 1d1z s TYR 4054N 0.70 2.59 0.18 4.92 1.51 0.18 -4.96 117.35 122.47 1d1z s TYR 4054Ca -0.09 -0.88 -0.30 0.00 -1.01 0.00 0.00 57.07 54.79 1d1z s TYR 4054Cb -0.16 -1.71 -0.08 0.00 -0.11 0.00 0.00 41.96 39.90 1d1z s TYR 4054CO 0.01 -0.32 1.08 1.03 -1.11 0.00 0.00 175.55 176.24 1d1z s ARG 4055N 0.21 4.62 -0.09 -0.62 1.81 -1.26 -0.80 118.95 122.82 1d1z s ARG 4055Ca -0.13 1.69 0.04 0.00 -1.72 0.00 0.00 55.73 55.60 1d1z s ARG 4055Cb -0.17 -3.28 0.00 0.00 -0.45 0.00 0.00 34.95 31.06 1d1z s ARG 4055CO 0.07 0.12 -0.22 0.08 -0.68 0.00 0.00 175.30 174.67 1d1z s VAL 4056N -0.35 1.90 0.22 3.52 1.01 0.32 -0.67 120.40 126.34 1d1z s VAL 4056Ca 0.48 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 1d1z s VAL 4056Cb -0.29 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1d1z s VAL 4056CO 0.35 0.53 0.32 -0.94 0.00 0.00 0.00 175.10 175.36 1d1z s SER 4057N 0.33 0.02 -0.04 3.32 1.04 -0.64 -0.60 113.70 117.13 1d1z s SER 4057Ca -0.16 -1.08 -0.00 0.00 0.48 0.00 0.00 55.95 55.18 1d1z s SER 4057Cb -0.17 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 1d1z s SER 4057CO 0.08 -0.99 0.02 -1.10 0.98 0.00 0.00 173.24 172.22 1d1z s GLN 4058N -4.06 2.92 1.02 4.02 -0.21 -1.26 -1.83 119.66 120.25 1d1z s GLN 4058Ca 0.27 -0.50 -0.15 0.00 0.02 0.00 0.00 55.36 55.00 1d1z s GLN 4058Cb 0.03 -2.76 0.20 0.00 1.00 0.00 0.00 33.01 31.48 1d1z s GLN 4058CO 0.09 0.66 1.15 0.95 -2.12 0.00 0.00 175.29 176.02 1d1z s THR 4059N -1.02 1.89 0.34 -0.19 -4.23 0.44 -4.86 115.64 108.01 1d1z s THR 4059Ca 0.17 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.77 1d1z s THR 4059Cb -0.12 -2.67 0.32 0.00 1.34 0.00 0.00 72.50 71.37 1d1z s THR 4059CO 0.07 0.00 1.84 -0.33 -0.54 0.00 0.00 174.62 175.66 1d1z h GLU 4060N -1.90 0.70 -0.21 3.99 5.08 -2.00 0.16 114.58 120.39 1d1z h GLU 4060Ca -0.49 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1d1z h GLU 4060Cb 1.31 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1d1z h GLU 4060CO 0.50 0.46 0.00 0.25 -1.00 0.00 0.00 179.01 179.22 1d1z n THR 4061N -4.61 0.28 0.00 1.13 -2.24 -1.26 -4.93 114.28 102.65 1d1z n THR 4061Ca 0.19 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1d1z n THR 4061Cb 0.51 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1d1z n THR 4061CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d1z n GLY 4062N 1.17 0.70 3.78 3.38 0.00 0.55 -5.07 105.19 109.69 1d1z n GLY 4062Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1d1z n GLY 4062CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d1z s SER 4063N -2.52 7.40 -0.09 1.61 0.01 -1.26 -4.70 113.70 114.14 1d1z s SER 4063Ca 0.00 1.84 -0.09 0.00 1.31 0.00 0.00 55.95 59.01 1d1z s SER 4063Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 1d1z s SER 4063CO 0.00 -0.00 0.21 0.26 0.41 0.00 0.00 173.24 174.11 1d1z s TRP 4064N -1.50 3.63 0.10 2.43 0.52 0.88 -0.42 118.94 124.58 1d1z s TRP 4064Ca 0.47 0.65 -0.14 0.00 0.02 0.00 0.00 56.10 57.11 1d1z s TRP 4064Cb -0.20 -2.03 0.02 0.00 -1.15 0.00 0.00 33.47 30.11 1d1z s TRP 4064CO 0.26 0.72 0.33 -1.54 0.02 0.00 0.00 176.95 176.73 1d1z s SER 4065N -1.04 -0.12 -0.08 2.95 1.04 -0.76 -0.51 113.70 115.18 1d1z s SER 4065Ca 0.17 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.24 1d1z s SER 4065Cb -0.13 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 1d1z s SER 4065CO 0.06 -0.77 -0.10 0.00 0.98 0.00 0.00 173.24 173.41 1d1z s ALA 4066N -3.54 2.82 -0.17 5.32 0.00 -1.26 -1.62 121.76 123.30 1d1z s ALA 4066Ca 0.02 -0.92 -0.27 0.00 0.00 0.00 0.00 51.96 50.79 1d1z s ALA 4066Cb 0.02 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.98 1d1z s ALA 4066CO -0.10 0.50 0.90 -1.21 0.00 0.00 0.00 175.76 175.85 1d1z s GLU 4067N -0.55 4.30 0.00 0.00 2.02 0.16 -4.87 118.70 119.76 1d1z s GLU 4067Ca 0.08 1.13 0.00 0.00 0.02 0.00 0.00 54.97 56.20 1d1z s GLU 4067Cb -0.12 -3.59 0.00 0.00 0.10 0.00 0.00 34.13 30.53 1d1z s GLU 4067CO 0.02 -0.39 0.00 0.25 0.02 0.00 0.00 175.26 175.15 1d1z n THR 4068N 4.85 0.00 -1.80 3.63 -2.24 -1.26 -4.13 114.28 113.32 1d1z n THR 4068Ca 0.07 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.44 1d1z n THR 4068Cb 0.48 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.72 1d1z n THR 4068CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d1z s ALA 4069N -2.00 3.42 0.46 6.98 0.00 -1.26 -4.94 121.76 124.42 1d1z s ALA 4069Ca 0.00 1.53 -0.23 0.00 0.00 0.00 0.00 51.96 53.26 1d1z s ALA 4069Cb 0.00 -3.60 -0.07 0.00 0.00 0.00 0.00 23.12 19.45 1d1z s ALA 4069CO 0.00 -1.12 1.17 -1.25 0.00 0.00 0.00 175.76 174.57 1d1z s PRO 4070N -2.25 3.74 -1.79 0.00 0.04 -1.26 -3.37 135.00 130.11 1d1z s PRO 4070Ca 0.56 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1d1z s PRO 4070Cb -0.45 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 31.68 1d1z s PRO 4070CO 0.60 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 177.48 1d1z n GLY 4071N 0.46 1.52 3.73 0.56 0.00 -1.26 -5.00 105.19 105.21 1d1z n GLY 4071Ca 0.07 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1d1z n GLY 4071CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d1z s VAL 4072N -2.65 4.60 0.15 1.61 1.01 -1.22 -5.07 120.40 118.83 1d1z s VAL 4072Ca 0.00 -0.14 -0.32 0.00 0.00 0.00 0.00 61.98 61.52 1d1z s VAL 4072Cb 0.00 -2.95 -0.12 0.00 0.00 0.00 0.00 36.38 33.31 1d1z s VAL 4072CO 0.00 0.61 1.73 1.41 0.00 0.00 0.00 175.10 178.85 1d1z n HIS 4073N 2.10 2.55 -2.48 5.22 8.25 -1.26 -4.96 115.22 124.64 1d1z n HIS 4073Ca -0.19 0.04 -0.29 0.00 -0.26 0.00 0.00 57.72 57.03 1d1z n HIS 4073Cb 0.54 -2.66 -0.00 0.00 1.12 0.00 0.00 29.99 28.99 1d1z n HIS 4073CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1d1z s LYS 4074N 1.78 3.59 0.05 -0.41 1.02 -1.26 -5.07 119.74 119.44 1d1z s LYS 4074Ca 0.79 0.37 -0.20 0.00 0.02 0.00 0.00 55.97 56.96 1d1z s LYS 4074Cb -0.56 -2.30 -0.06 0.00 -0.52 0.00 0.00 37.83 34.38 1d1z s LYS 4074CO 0.37 -0.27 0.57 1.03 -0.92 0.00 0.00 175.35 176.13 1d1z s ARG 4075N -4.74 4.23 -0.01 1.68 0.52 -1.26 -5.10 118.95 114.27 1d1z s ARG 4075Ca 0.50 0.73 0.05 0.00 -0.52 0.00 0.00 55.73 56.48 1d1z s ARG 4075Cb -0.10 -3.26 -0.03 0.00 0.52 0.00 0.00 34.95 32.07 1d1z s ARG 4075CO 0.45 0.57 -0.14 0.71 0.02 0.00 0.00 175.30 176.92 1d1z s TYR 4076N -0.88 2.71 -0.01 -0.53 2.02 -1.26 -4.47 117.35 114.92 1d1z s TYR 4076Ca 0.29 -0.16 0.04 0.00 -0.37 0.00 0.00 57.07 56.87 1d1z s TYR 4076Cb -0.19 -1.58 -0.01 0.00 -0.40 0.00 0.00 41.96 39.78 1d1z s TYR 4076CO 0.18 0.25 -0.12 -0.06 -1.57 0.00 0.00 175.55 174.24 1d1z s PHE 4077N -0.85 1.08 0.25 2.71 0.40 0.33 -4.90 117.98 116.99 1d1z s PHE 4077Ca 0.14 -0.21 -0.04 0.00 -0.60 0.00 0.00 56.93 56.22 1d1z s PHE 4077Cb -0.11 -0.70 0.29 0.00 0.51 0.00 0.00 43.02 43.01 1d1z s PHE 4077CO 0.04 -0.03 1.77 -0.09 0.70 0.00 0.00 175.22 177.61 1d1z h ARG 4078N 5.89 0.92 -5.68 0.44 2.43 -1.89 0.25 114.38 116.75 1d1z h ARG 4078Ca -0.33 -0.22 -0.59 0.00 -0.81 0.00 0.00 59.98 58.03 1d1z h ARG 4078Cb 1.17 -0.12 -0.31 0.00 -0.42 0.00 0.00 29.97 30.29 1d1z h ARG 4078CO 0.49 0.85 -0.85 0.15 -1.51 0.00 0.00 179.97 179.10 1d1z s LYS 4079N -5.18 1.81 0.47 0.20 -0.14 -1.26 -4.74 119.74 110.90 1d1z s LYS 4079Ca -0.10 -0.69 0.14 0.00 -1.36 0.00 0.00 55.97 53.95 1d1z s LYS 4079Cb 0.15 -1.63 1.07 0.00 -1.68 0.00 0.00 37.83 35.74 1d1z s LYS 4079CO 0.82 0.34 2.06 0.97 -0.76 0.00 0.00 175.35 178.78 1d1z h ILE 4080N 4.96 1.08 0.00 2.17 6.09 -1.96 -0.37 117.51 129.47 1d1z h ILE 4080Ca -0.35 -0.32 -0.04 0.00 -1.37 0.00 0.00 64.86 62.78 1d1z h ILE 4080Cb 1.16 1.08 -0.01 0.00 0.47 0.00 0.00 36.82 39.53 1d1z h ILE 4080CO 0.48 0.10 -0.17 0.07 -3.07 0.00 0.00 178.15 175.55 1d1z h LYS 4081N 0.09 0.00 0.00 2.19 2.10 -1.99 -0.70 116.57 118.26 1d1z h LYS 4081Ca 0.02 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.49 1d1z h LYS 4081Cb 0.15 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.45 1d1z h LYS 4081CO 0.01 0.17 -0.85 -0.91 -2.00 0.00 0.00 179.45 175.87 1d1z h ASN 4082N 0.00 0.00 0.14 7.07 -0.26 -1.49 -1.20 115.58 119.84 1d1z h ASN 4082Ca -0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1d1z h ASN 4082Cb 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.61 1d1z h ASN 4082CO 0.02 0.85 -0.07 0.25 -1.06 0.00 0.00 177.43 177.43 1d1z h LEU 4083N 0.00 -0.16 -0.39 1.61 6.46 -0.91 -1.50 115.31 120.42 1d1z h LEU 4083Ca -0.01 -0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.75 1d1z h LEU 4083Cb 1.59 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 41.53 1d1z h LEU 4083CO 0.11 -0.07 0.19 0.40 -0.62 0.00 0.00 178.44 178.45 1d1z h ILE 4084N -0.24 0.96 -0.67 4.05 1.08 -1.10 -1.50 117.51 120.10 1d1z h ILE 4084Ca -0.02 -0.13 0.07 0.00 -0.39 0.00 0.00 64.86 64.39 1d1z h ILE 4084Cb 0.19 0.55 -0.06 0.00 -3.07 0.00 0.00 36.82 34.42 1d1z h ILE 4084CO 0.03 0.07 0.35 0.28 -0.69 0.00 0.00 178.15 178.19 1d1z h SER 4085N 0.38 0.49 -0.59 1.72 0.02 -1.10 -1.94 113.55 112.52 1d1z h SER 4085Ca 0.17 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.10 1d1z h SER 4085Cb 0.09 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1d1z h SER 4085CO -0.13 0.30 0.12 0.00 -1.14 0.00 0.00 176.83 175.99 1d1z h ALA 4086N 1.38 1.04 -0.01 3.77 0.00 -0.77 -2.17 119.26 122.49 1d1z h ALA 4086Ca 0.31 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1d1z h ALA 4086Cb 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1d1z h ALA 4086CO -0.22 0.62 0.00 1.19 0.00 0.00 0.00 179.25 180.84 1d1z n PHE 4087N -4.23 0.02 0.99 0.00 3.01 -0.61 -1.90 117.46 114.73 1d1z n PHE 4087Ca 0.04 -0.01 0.14 0.00 1.01 0.00 0.00 57.45 58.63 1d1z n PHE 4087Cb 0.26 0.00 0.62 0.00 -0.01 0.00 0.00 39.48 40.35 1d1z n PHE 4087CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1d1z n GLN 4088N -0.68 0.00 -3.61 -1.08 6.02 -0.81 -1.31 117.38 115.90 1d1z n GLN 4088Ca 0.13 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.90 1d1z n GLN 4088Cb 0.07 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.82 1d1z n GLN 4088CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1d1z s LYS 4089N -3.00 3.36 0.81 -1.09 1.02 -0.80 -4.61 119.74 115.44 1d1z s LYS 4089Ca 0.14 -0.65 -0.11 0.00 0.02 0.00 0.00 55.97 55.36 1d1z s LYS 4089Cb 0.19 -2.78 0.08 0.00 -0.52 0.00 0.00 37.83 34.80 1d1z s LYS 4089CO 0.53 0.21 1.10 -1.25 -0.92 0.00 0.00 175.35 175.02 1d1z s PRO 4090N -4.17 1.96 -1.37 -1.68 0.04 -1.26 -4.26 135.00 124.25 1d1z s PRO 4090Ca 0.39 0.65 -0.07 0.00 0.04 0.00 0.00 61.00 62.01 1d1z s PRO 4090Cb -0.09 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.55 1d1z s PRO 4090CO 0.32 -1.71 0.94 -0.25 0.04 0.00 0.00 177.00 176.34 1d1z n ASP 4091N -3.50 -6.13 -0.36 6.66 9.92 -1.26 -4.89 116.55 117.00 1d1z n ASP 4091Ca 0.07 -0.43 0.11 0.00 -0.53 0.00 0.00 54.79 54.01 1d1z n ASP 4091Cb 0.56 -4.82 -0.02 0.00 -0.64 0.00 0.00 41.12 36.20 1d1z n ASP 4091CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1d1z n GLN 4092N -4.49 0.87 0.00 -1.24 1.13 -1.26 -4.97 117.38 107.42 1d1z n GLN 4092Ca -0.03 -0.71 0.00 0.00 -1.94 0.00 0.00 57.00 54.31 1d1z n GLN 4092Cb 0.58 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.44 1d1z n GLN 4092CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1d1z n GLY 4093N 1.44 0.72 3.93 1.08 0.00 -1.26 -5.01 105.19 106.10 1d1z n GLY 4093Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1d1z n GLY 4093CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1d1z s ILE 4094N -2.00 3.29 0.35 -0.61 -4.36 -1.26 -4.39 121.20 112.22 1d1z s ILE 4094Ca 0.00 -1.18 0.11 0.00 -0.26 0.00 0.00 60.65 59.32 1d1z s ILE 4094Cb 0.00 -3.14 0.07 0.00 1.25 0.00 0.00 42.46 40.64 1d1z s ILE 4094CO 0.00 -0.08 1.78 1.62 0.24 0.00 0.00 174.94 178.50 1d1z h VAL 4095N 0.95 1.30 -2.54 8.37 3.04 -1.99 -3.44 116.25 121.95 1d1z h VAL 4095Ca -0.43 -1.43 -0.09 0.00 -1.01 0.00 0.00 66.70 63.74 1d1z h VAL 4095Cb 1.26 1.75 -0.21 0.00 -2.01 0.00 0.00 31.29 32.09 1d1z h VAL 4095CO 0.53 0.41 -0.07 -0.51 -1.01 0.00 0.00 177.57 176.92 1d1z s ILE 4096N -4.10 0.02 0.61 3.17 1.10 -1.26 -5.11 121.20 115.63 1d1z s ILE 4096Ca -0.03 -0.18 -0.19 0.00 -0.51 0.00 0.00 60.65 59.74 1d1z s ILE 4096Cb 0.14 -0.77 -0.03 0.00 0.15 0.00 0.00 42.46 41.95 1d1z s ILE 4096CO 0.74 -0.10 1.25 -2.84 -2.11 0.00 0.00 174.94 171.88 1d1z s PRO 4097N -0.83 2.82 0.13 3.50 0.02 -1.26 -4.91 135.00 134.46 1d1z s PRO 4097Ca -0.09 1.94 -0.31 0.00 0.02 0.00 0.00 61.00 62.56 1d1z s PRO 4097Cb -0.03 -1.91 -0.09 0.00 0.02 0.00 0.00 34.50 32.48 1d1z s PRO 4097CO 0.05 -1.35 1.60 -0.51 -0.33 0.00 0.00 177.00 176.45 1d1z s LEU 4098N -4.15 4.37 0.00 -5.54 1.43 -0.43 -4.44 118.68 109.92 1d1z s LEU 4098Ca 0.79 2.56 0.00 0.00 -1.03 0.00 0.00 54.13 56.45 1d1z s LEU 4098Cb -0.34 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.30 1d1z s LEU 4098CO 0.36 -0.84 0.00 0.00 0.23 0.00 0.00 176.35 176.10 1d1z n GLN 4099N 4.61 0.43 -3.77 1.70 6.02 0.13 -4.36 117.38 122.15 1d1z n GLN 4099Ca 0.15 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.84 1d1z n GLN 4099Cb 0.39 -0.67 -0.15 0.00 1.02 0.00 0.00 30.24 30.84 1d1z n GLN 4099CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1d1z s TYR 4100N -1.34 2.01 0.15 1.08 1.51 -0.48 -4.98 117.35 115.30 1d1z s TYR 4100Ca 0.00 -2.00 -0.31 0.00 -1.01 0.00 0.00 57.07 53.75 1d1z s TYR 4100Cb 0.00 -1.89 -0.08 0.00 -0.11 0.00 0.00 41.96 39.87 1d1z s TYR 4100CO 0.00 -0.87 1.34 -1.25 -1.11 0.00 0.00 175.55 173.65 1d1z s PRO 4101N 1.33 4.36 -0.54 -1.71 0.04 -1.26 -1.86 135.00 135.36 1d1z s PRO 4101Ca 0.11 2.04 -0.23 0.00 0.04 0.00 0.00 61.00 62.96 1d1z s PRO 4101Cb -0.19 -3.23 0.05 0.00 0.04 0.00 0.00 34.50 31.17 1d1z s PRO 4101CO -0.19 -0.33 0.88 0.08 0.04 0.00 0.00 177.00 177.47 1d1z s VAL 4102N 0.61 4.49 -0.65 -0.36 1.01 -0.30 -4.87 120.40 120.33 1d1z s VAL 4102Ca 0.60 0.11 0.18 0.00 0.00 0.00 0.00 61.98 62.87 1d1z s VAL 4102Cb -0.36 -4.49 -0.21 0.00 0.00 0.00 0.00 36.38 31.31 1d1z s VAL 4102CO 0.34 -1.06 0.67 -0.62 0.00 0.00 0.00 175.10 174.44 1d1z n GLU 4103N 7.20 1.00 0.00 2.72 1.02 -1.26 -4.44 120.64 126.88 1d1z n GLU 4103Ca -0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1d1z n GLU 4103Cb 0.47 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 1d1z n GLU 4103CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67