#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f5t h ASP 4003N 0.00 0.71 0.17 4.39 3.58 -2.05 0.77 116.42 123.99 1f5t h ASP 4003Ca 0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1f5t h ASP 4003Cb 0.00 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.96 1f5t h ASP 4003CO 0.00 0.40 0.00 0.18 -2.88 0.00 0.00 179.24 176.94 1f5t n LEU 4004N -4.73 0.00 0.00 2.28 4.77 -1.26 -4.89 117.00 113.17 1f5t n LEU 4004Ca 0.14 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1f5t n LEU 4004Cb 0.28 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1f5t n LEU 4004CO 0.27 -0.01 0.00 0.52 -1.33 0.00 0.00 177.39 176.84 1f5t n VAL 4005N -1.10 0.00 -3.44 4.08 0.31 0.26 -4.28 118.33 114.16 1f5t n VAL 4005Ca 0.18 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.29 1f5t n VAL 4005Cb 0.14 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.95 1f5t n VAL 4005CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1f5t s ASP 4006N 0.00 2.29 0.14 4.52 3.68 -1.26 -4.10 116.67 121.94 1f5t s ASP 4006Ca 0.00 -1.23 -0.26 0.00 2.13 0.00 0.00 52.55 53.20 1f5t s ASP 4006Cb 0.00 0.16 -0.01 0.00 -1.45 0.00 0.00 42.92 41.62 1f5t s ASP 4006CO 0.00 -0.37 1.61 0.74 0.13 0.00 0.00 175.17 177.27 1f5t h THR 4007N 5.94 0.27 -0.95 1.71 2.02 -1.98 -1.52 112.91 118.41 1f5t h THR 4007Ca -0.10 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.24 1f5t h THR 4007Cb 1.04 0.27 -0.10 0.00 -1.74 0.00 0.00 68.15 67.62 1f5t h THR 4007CO 0.33 0.00 0.55 0.74 0.37 0.00 0.00 175.52 177.51 1f5t h THR 4008N -0.37 0.76 0.05 3.16 2.02 -1.97 0.21 112.91 116.77 1f5t h THR 4008Ca 0.11 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 1f5t h THR 4008Cb 0.55 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1f5t h THR 4008CO -0.39 0.14 -0.02 -0.33 0.37 0.00 0.00 175.52 175.28 1f5t h GLU 4009N 0.76 -0.06 0.00 6.66 5.08 -1.82 -1.37 114.58 123.83 1f5t h GLU 4009Ca 0.52 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.86 1f5t h GLU 4009Cb 0.72 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1f5t h GLU 4009CO -0.35 0.26 -0.10 1.98 -1.00 0.00 0.00 179.01 179.80 1f5t h MET 4010N -0.39 0.00 -0.02 2.33 4.05 -0.44 -0.84 114.93 119.62 1f5t h MET 4010Ca -0.01 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 1f5t h MET 4010Cb 0.35 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1f5t h MET 4010CO 0.01 0.10 -0.12 1.88 0.23 0.00 0.00 176.91 179.01 1f5t h TYR 4011N 0.00 0.16 -0.80 1.39 0.99 -0.44 -2.15 116.97 116.13 1f5t h TYR 4011Ca -0.00 -0.07 0.07 0.00 2.00 0.00 0.00 58.73 60.72 1f5t h TYR 4011Cb 0.22 -0.02 -0.06 0.00 1.00 0.00 0.00 36.73 37.86 1f5t h TYR 4011CO 0.00 0.78 0.48 -0.07 -0.00 0.00 0.00 178.16 179.35 1f5t h LEU 4012N -0.51 0.72 -0.45 3.88 4.07 -0.74 -1.25 115.31 121.04 1f5t h LEU 4012Ca -0.01 0.03 -0.08 0.00 0.08 0.00 0.00 57.88 57.90 1f5t h LEU 4012Cb 0.80 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 1f5t h LEU 4012CO 0.02 0.45 -0.03 -0.09 -1.08 0.00 0.00 178.44 177.72 1f5t h ARG 4013N 0.85 0.81 -0.87 1.13 2.43 -1.20 -1.57 114.38 115.96 1f5t h ARG 4013Ca 0.36 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1f5t h ARG 4013Cb 0.22 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1f5t h ARG 4013CO -0.19 0.89 0.52 1.15 -1.51 0.00 0.00 179.97 180.82 1f5t h THR 4014N 0.65 1.24 0.77 0.20 2.02 -0.75 0.15 112.91 117.19 1f5t h THR 4014Ca 0.12 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.74 1f5t h THR 4014Cb 0.54 0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1f5t h THR 4014CO 0.03 0.25 -0.37 0.40 0.37 0.00 0.00 175.52 176.20 1f5t h ILE 4015N 1.20 0.00 -0.78 3.11 2.04 -1.04 0.20 117.51 122.24 1f5t h ILE 4015Ca 0.31 -0.13 0.18 0.00 1.00 0.00 0.00 64.86 66.22 1f5t h ILE 4015Cb -0.05 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 35.91 1f5t h ILE 4015CO -0.06 0.00 0.14 0.22 0.00 0.00 0.00 178.15 178.45 1f5t h TYR 4016N -1.17 0.19 -0.55 1.37 5.03 -1.08 0.30 116.97 121.06 1f5t h TYR 4016Ca -0.11 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.24 1f5t h TYR 4016Cb 0.80 0.04 -0.03 0.00 1.55 0.00 0.00 36.73 39.09 1f5t h TYR 4016CO 0.02 -0.16 0.31 0.93 -1.32 0.00 0.00 178.16 177.93 1f5t h GLU 4017N 0.20 0.76 -0.49 1.82 5.08 -0.59 0.63 114.58 122.00 1f5t h GLU 4017Ca 0.45 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.77 1f5t h GLU 4017Cb 0.81 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 1f5t h GLU 4017CO -0.59 0.58 0.23 -0.07 -1.00 0.00 0.00 179.01 178.16 1f5t h LEU 4018N 0.74 0.31 -0.85 1.33 3.38 0.16 -1.70 115.31 118.69 1f5t h LEU 4018Ca 0.19 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1f5t h LEU 4018Cb 0.04 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1f5t h LEU 4018CO -0.03 0.22 0.56 -0.33 0.09 0.00 0.00 178.44 178.95 1f5t h GLU 4019N 0.45 1.12 -0.72 1.13 5.08 -0.31 -1.24 114.58 120.09 1f5t h GLU 4019Ca 0.22 -0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.59 1f5t h GLU 4019Cb 0.15 -0.25 -0.06 0.00 0.50 0.00 0.00 28.75 29.09 1f5t h GLU 4019CO -0.17 0.74 0.39 1.49 -1.00 0.00 0.00 179.01 180.46 1f5t h GLU 4020N 1.15 0.67 -0.80 2.33 4.81 -0.02 0.70 114.58 123.42 1f5t h GLU 4020Ca 0.31 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1f5t h GLU 4020Cb -0.13 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.10 1f5t h GLU 4020CO -0.07 0.44 0.00 -0.85 -0.73 0.00 0.00 179.01 177.80 1f5t n GLU 4021N -4.80 2.90 -3.88 1.92 0.28 -0.80 -4.91 120.64 111.34 1f5t n GLU 4021Ca 0.10 -1.53 -0.25 0.00 -0.16 0.00 0.00 57.16 55.33 1f5t n GLU 4021Cb 0.23 -1.87 -0.00 0.00 1.43 0.00 0.00 31.44 31.22 1f5t n GLU 4021CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1f5t n GLY 4022N 0.31 -0.26 3.28 -1.84 0.00 0.24 -4.99 105.19 101.93 1f5t n GLY 4022Ca 0.13 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 1f5t n GLY 4022CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f5t s VAL 4023N -3.82 2.28 -0.24 1.61 1.01 -0.52 -5.02 120.40 115.71 1f5t s VAL 4023Ca 0.06 -0.96 -0.38 0.00 0.00 0.00 0.00 61.98 60.70 1f5t s VAL 4023Cb -0.03 -1.87 -0.14 0.00 0.00 0.00 0.00 36.38 34.33 1f5t s VAL 4023CO 0.86 0.56 1.82 0.41 0.00 0.00 0.00 175.10 178.76 1f5t n THR 4024N 3.22 0.37 -2.32 3.92 -1.04 -1.26 -4.18 114.28 112.99 1f5t n THR 4024Ca -0.18 -0.08 -0.36 0.00 -2.04 0.00 0.00 64.05 61.38 1f5t n THR 4024Cb 0.52 -1.43 -0.04 0.00 -1.82 0.00 0.00 70.33 67.57 1f5t n THR 4024CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1f5t s PRO 4025N 3.95 3.07 0.13 -2.82 0.04 -1.26 -4.95 135.00 133.15 1f5t s PRO 4025Ca 0.98 -0.49 0.08 0.00 0.04 0.00 0.00 61.00 61.61 1f5t s PRO 4025Cb -0.96 -4.96 -0.04 0.00 0.04 0.00 0.00 34.50 28.58 1f5t s PRO 4025CO 0.61 -2.65 -0.13 -0.51 0.04 0.00 0.00 177.00 174.36 1f5t s LEU 4026N 7.29 2.90 0.28 -3.56 1.43 -1.26 0.12 118.68 125.88 1f5t s LEU 4026Ca 0.55 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1f5t s LEU 4026Cb -0.05 -1.69 0.48 0.00 0.03 0.00 0.00 46.19 44.96 1f5t s LEU 4026CO 0.01 0.16 1.87 0.03 0.23 0.00 0.00 176.35 178.65 1f5t h ARG 4027N 3.49 1.06 0.00 1.70 3.08 -1.93 0.35 114.38 122.13 1f5t h ARG 4027Ca -0.49 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.49 1f5t h ARG 4027Cb 1.18 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.98 1f5t h ARG 4027CO 0.50 0.70 -0.03 0.00 -1.07 0.00 0.00 179.97 180.08 1f5t h ALA 4028N 1.49 1.33 0.06 0.04 0.00 -1.96 -0.11 119.26 120.11 1f5t h ALA 4028Ca 0.45 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 55.05 1f5t h ALA 4028Cb 0.28 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.09 1f5t h ALA 4028CO -0.20 0.04 -1.13 -0.09 0.00 0.00 0.00 179.25 177.87 1f5t h ARG 4029N 0.00 0.66 -0.46 0.00 9.65 -0.68 -2.66 114.38 120.89 1f5t h ARG 4029Ca -0.00 -0.79 -0.09 0.00 -1.10 0.00 0.00 59.98 58.00 1f5t h ARG 4029Cb 0.11 0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.91 1f5t h ARG 4029CO 0.00 1.35 -0.07 0.82 2.80 0.00 0.00 179.97 184.87 1f5t h ILE 4030N 0.32 1.27 -0.37 1.20 2.04 -0.70 -2.44 117.51 118.83 1f5t h ILE 4030Ca -0.16 -1.18 0.07 0.00 1.00 0.00 0.00 64.86 64.59 1f5t h ILE 4030Cb 1.79 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 38.90 1f5t h ILE 4030CO 0.22 0.41 -0.03 0.00 0.00 0.00 0.00 178.15 178.74 1f5t h ALA 4031N 0.89 0.31 0.03 1.87 0.00 -1.09 0.19 119.26 121.45 1f5t h ALA 4031Ca 0.12 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1f5t h ALA 4031Cb 0.61 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1f5t h ALA 4031CO 0.04 -0.42 -0.34 0.93 0.00 0.00 0.00 179.25 179.45 1f5t h GLU 4032N 0.06 -0.50 -0.12 0.00 5.08 -1.27 -1.19 114.58 116.65 1f5t h GLU 4032Ca 0.18 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1f5t h GLU 4032Cb 0.27 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1f5t h GLU 4032CO -0.33 -0.33 -0.08 0.00 -1.00 0.00 0.00 179.01 177.26 1f5t h ARG 4033N -0.52 0.27 -0.32 2.33 3.08 -0.94 -3.14 114.38 115.14 1f5t h ARG 4033Ca 0.05 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1f5t h ARG 4033Cb 0.59 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1f5t h ARG 4033CO -0.26 0.63 0.00 1.28 -1.07 0.00 0.00 179.97 180.55 1f5t n LEU 4034N -4.66 1.45 -3.98 3.04 4.77 0.61 -4.93 117.00 113.30 1f5t n LEU 4034Ca -0.06 -0.73 -0.29 0.00 -0.03 0.00 0.00 56.01 54.90 1f5t n LEU 4034Cb 0.30 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1f5t n LEU 4034CO 0.37 0.33 -0.25 -0.62 -1.33 0.00 0.00 177.39 175.90 1f5t n GLU 4035N 0.21 -2.32 -4.27 3.23 1.02 -0.49 -4.99 120.64 113.03 1f5t n GLU 4035Ca 0.08 0.33 -0.20 0.00 -0.02 0.00 0.00 57.16 57.36 1f5t n GLU 4035Cb 0.25 -4.13 -0.11 0.00 -0.02 0.00 0.00 31.44 27.42 1f5t n GLU 4035CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1f5t s GLN 4036N -6.68 1.10 0.52 3.49 -0.21 -0.94 -5.06 119.66 111.88 1f5t s GLN 4036Ca 0.11 -1.27 -0.23 0.00 0.02 0.00 0.00 55.36 53.99 1f5t s GLN 4036Cb -0.05 -1.07 -0.06 0.00 1.00 0.00 0.00 33.01 32.83 1f5t s GLN 4036CO 0.91 0.22 1.39 -1.54 -2.12 0.00 0.00 175.29 174.14 1f5t s SER 4037N -2.45 5.44 0.34 5.90 1.04 -1.26 -4.61 113.70 118.10 1f5t s SER 4037Ca 0.10 2.83 0.07 0.00 0.48 0.00 0.00 55.95 59.43 1f5t s SER 4037Cb -0.06 -2.64 0.75 0.00 0.10 0.00 0.00 66.02 64.17 1f5t s SER 4037CO 0.04 -1.46 1.88 1.23 0.98 0.00 0.00 173.24 175.91 1f5t h GLY 4038N 1.72 1.25 1.30 7.32 0.00 -1.96 -1.64 103.07 111.06 1f5t h GLY 4038Ca -0.51 -0.33 -0.15 0.00 0.00 0.00 0.00 47.33 46.35 1f5t h GLY 4038CO 0.58 0.13 -0.39 -2.55 0.00 0.00 0.00 176.54 174.32 1f5t h PRO 4039N 0.77 0.77 -0.31 4.80 0.11 -2.00 -2.80 132.00 133.33 1f5t h PRO 4039Ca 0.44 -0.40 0.04 0.00 0.11 0.00 0.00 66.00 66.19 1f5t h PRO 4039Cb 0.59 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.67 1f5t h PRO 4039CO -0.20 1.02 0.08 1.15 -0.21 0.00 0.00 178.00 179.84 1f5t h THR 4040N 0.63 0.87 -0.58 -1.15 2.02 -1.68 -1.89 112.91 111.13 1f5t h THR 4040Ca 0.05 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1f5t h THR 4040Cb 0.94 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 1f5t h THR 4040CO 0.09 0.04 0.37 0.58 0.37 0.00 0.00 175.52 176.96 1f5t h VAL 4041N 0.20 1.16 -0.47 3.16 2.07 -1.35 -1.70 116.25 119.31 1f5t h VAL 4041Ca 0.14 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 1f5t h VAL 4041Cb 0.14 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1f5t h VAL 4041CO -0.18 0.16 -0.08 0.28 0.02 0.00 0.00 177.57 177.77 1f5t h SER 4042N 0.79 0.82 0.01 0.57 0.02 -1.26 -0.67 113.55 113.82 1f5t h SER 4042Ca 0.21 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1f5t h SER 4042Cb -0.06 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.26 1f5t h SER 4042CO -0.04 0.93 -0.00 -0.61 -1.14 0.00 0.00 176.83 175.96 1f5t h GLN 4043N 0.76 -0.01 0.09 3.45 4.15 -1.05 -0.60 115.11 121.89 1f5t h GLN 4043Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1f5t h GLN 4043Cb 0.57 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 1f5t h GLN 4043CO 0.03 0.22 -0.09 1.15 -1.93 0.00 0.00 178.83 178.22 1f5t h THR 4044N -0.24 0.80 -0.82 2.39 2.02 -1.21 -1.09 112.91 114.76 1f5t h THR 4044Ca -0.00 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.31 1f5t h THR 4044Cb 0.23 0.80 -0.09 0.00 -1.74 0.00 0.00 68.15 67.35 1f5t h THR 4044CO 0.00 0.00 0.42 0.58 0.37 0.00 0.00 175.52 176.89 1f5t h VAL 4045N -0.20 0.77 -0.20 3.16 2.07 -1.05 0.82 116.25 121.62 1f5t h VAL 4045Ca 0.01 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.36 1f5t h VAL 4045Cb 0.19 0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 29.97 1f5t h VAL 4045CO -0.03 0.12 -0.28 0.00 0.02 0.00 0.00 177.57 177.40 1f5t h ALA 4046N 1.52 -0.24 -0.74 1.67 0.00 -0.21 0.28 119.26 121.54 1f5t h ALA 4046Ca 0.43 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.51 1f5t h ALA 4046Cb 0.56 0.56 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 1f5t h ALA 4046CO -0.33 -0.73 0.35 -0.09 0.00 0.00 0.00 179.25 178.45 1f5t h ARG 4047N -0.31 0.55 -0.42 0.00 2.43 0.30 0.11 114.38 117.04 1f5t h ARG 4047Ca 0.12 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 1f5t h ARG 4047Cb 0.50 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1f5t h ARG 4047CO -0.38 0.37 -0.02 0.52 -1.51 0.00 0.00 179.97 178.95 1f5t h MET 4048N 0.57 0.69 -0.43 0.20 2.86 0.50 0.18 114.93 119.49 1f5t h MET 4048Ca 0.38 -0.18 -0.12 0.00 -2.06 0.00 0.00 59.70 57.72 1f5t h MET 4048Cb 0.47 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1f5t h MET 4048CO -0.31 0.72 -0.21 1.49 1.06 0.00 0.00 176.91 179.65 1f5t h GLU 4049N 0.64 0.90 -0.14 1.72 4.81 0.11 -0.84 114.58 121.79 1f5t h GLU 4049Ca 0.13 -0.39 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 1f5t h GLU 4049Cb 0.43 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1f5t h GLU 4049CO 0.02 1.05 0.01 -0.09 -0.73 0.00 0.00 179.01 179.27 1f5t h ARG 4050N 0.73 0.19 -0.34 1.92 2.43 -0.21 -1.12 114.38 117.99 1f5t h ARG 4050Ca 0.10 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1f5t h ARG 4050Cb 0.77 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1f5t h ARG 4050CO 0.06 0.20 0.00 -0.25 -1.51 0.00 0.00 179.97 178.47 1f5t n ASP 4051N -4.43 1.87 -2.89 -3.80 8.00 -0.01 -4.93 116.55 110.36 1f5t n ASP 4051Ca -0.01 -1.98 -0.17 0.00 0.71 0.00 0.00 54.79 53.34 1f5t n ASP 4051Cb 0.14 -0.23 0.06 0.00 -0.02 0.00 0.00 41.12 41.08 1f5t n ASP 4051CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f5t n GLY 4052N 1.07 -0.20 0.03 0.44 0.00 -0.42 -4.93 105.19 101.18 1f5t n GLY 4052Ca 0.12 0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 1f5t n GLY 4052CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1f5t n LEU 4053N -3.79 1.32 -4.25 0.99 4.77 -0.40 -4.47 117.00 111.17 1f5t n LEU 4053Ca -0.08 -0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.74 1f5t n LEU 4053Cb 0.58 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 1f5t n LEU 4053CO 0.49 0.37 -0.27 0.68 -1.33 0.00 0.00 177.39 177.33 1f5t s VAL 4054N -2.15 0.37 -0.01 4.08 -7.23 -1.24 -1.07 120.40 113.14 1f5t s VAL 4054Ca -0.06 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.08 1f5t s VAL 4054Cb 0.02 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.51 1f5t s VAL 4054CO 0.22 -0.12 0.08 -0.69 -0.31 0.00 0.00 175.10 174.28 1f5t s VAL 4055N -3.89 0.04 -0.33 1.32 1.01 -0.80 -4.20 120.40 113.55 1f5t s VAL 4055Ca 0.35 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 1f5t s VAL 4055Cb 0.07 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.24 1f5t s VAL 4055CO 0.10 -0.20 0.13 -0.69 0.00 0.00 0.00 175.10 174.44 1f5t s VAL 4056N -0.63 4.08 1.14 2.92 1.01 -1.26 -0.91 120.40 126.75 1f5t s VAL 4056Ca -0.07 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 60.85 1f5t s VAL 4056Cb -0.04 -3.23 0.26 0.00 0.00 0.00 0.00 36.38 33.36 1f5t s VAL 4056CO 0.00 -0.11 1.07 0.00 0.00 0.00 0.00 175.10 176.07 1f5t s ALA 4057N 1.48 0.43 0.41 5.51 0.00 -0.82 -4.83 121.76 123.93 1f5t s ALA 4057Ca 0.01 -0.61 0.07 0.00 0.00 0.00 0.00 51.96 51.43 1f5t s ALA 4057Cb -0.19 -3.03 0.85 0.00 0.00 0.00 0.00 23.12 20.75 1f5t s ALA 4057CO 0.04 -3.45 2.05 0.77 0.00 0.00 0.00 175.76 175.17 1f5t h SER 4058N -2.41 0.49 -0.21 0.00 0.02 -1.98 0.17 113.55 109.62 1f5t h SER 4058Ca -0.51 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1f5t h SER 4058Cb 1.32 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1f5t h SER 4058CO 0.46 0.35 0.00 -0.90 -1.14 0.00 0.00 176.83 175.60 1f5t n ASP 4059N -4.47 1.33 -1.00 3.07 5.75 -1.26 -4.91 116.55 115.07 1f5t n ASP 4059Ca 0.04 -1.88 -0.11 0.00 -0.01 0.00 0.00 54.79 52.83 1f5t n ASP 4059Cb 0.08 -0.14 -0.03 0.00 -1.03 0.00 0.00 41.12 40.00 1f5t n ASP 4059CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1f5t n ARG 4060N 0.18 -0.81 -3.79 0.11 1.74 0.58 -5.03 116.66 109.64 1f5t n ARG 4060Ca 0.11 0.75 -0.30 0.00 -0.77 0.00 0.00 57.85 57.64 1f5t n ARG 4060Cb 0.23 -4.77 -0.04 0.00 -1.02 0.00 0.00 32.46 26.86 1f5t n ARG 4060CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1f5t s SER 4061N -2.74 6.42 0.22 0.55 1.04 -1.26 -4.60 113.70 113.33 1f5t s SER 4061Ca 0.00 0.41 -0.30 0.00 0.48 0.00 0.00 55.95 56.54 1f5t s SER 4061Cb 0.00 -2.02 -0.08 0.00 0.10 0.00 0.00 66.02 64.02 1f5t s SER 4061CO 0.00 0.09 0.98 -0.76 0.98 0.00 0.00 173.24 174.53 1f5t s LEU 4062N -2.71 4.60 -0.29 2.42 2.01 0.32 -1.94 118.68 123.09 1f5t s LEU 4062Ca 0.38 1.98 -0.00 0.00 0.01 0.00 0.00 54.13 56.50 1f5t s LEU 4062Cb -0.12 -3.61 0.09 0.00 0.01 0.00 0.00 46.19 42.56 1f5t s LEU 4062CO 0.27 0.06 0.07 -1.10 1.01 0.00 0.00 176.35 176.65 1f5t s GLN 4063N -0.98 0.89 0.31 1.70 -0.21 -0.09 -4.77 119.66 116.52 1f5t s GLN 4063Ca 0.43 -1.10 -0.30 0.00 0.02 0.00 0.00 55.36 54.41 1f5t s GLN 4063Cb -0.27 -2.21 -0.11 0.00 1.00 0.00 0.00 33.01 31.42 1f5t s GLN 4063CO 0.33 -0.91 1.59 -1.33 -2.12 0.00 0.00 175.29 172.85 1f5t n MET 4064N 4.78 2.74 -2.24 2.91 2.81 -1.26 -1.91 117.12 124.95 1f5t n MET 4064Ca -0.03 0.97 -0.26 0.00 -1.81 0.00 0.00 57.70 56.57 1f5t n MET 4064Cb 0.43 -2.76 0.05 0.00 -0.71 0.00 0.00 33.22 30.24 1f5t n MET 4064CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1f5t s THR 4065N -0.22 2.83 0.42 2.03 -4.23 -0.23 -4.70 115.64 111.53 1f5t s THR 4065Ca 0.62 -0.12 0.15 0.00 -1.18 0.00 0.00 61.69 61.16 1f5t s THR 4065Cb -0.48 -3.19 0.35 0.00 1.34 0.00 0.00 72.50 70.52 1f5t s THR 4065CO 0.52 -0.21 1.91 1.55 -0.54 0.00 0.00 174.62 177.84 1f5t h PRO 4066N -0.47 0.44 -0.14 3.99 0.13 -1.91 0.45 132.00 134.49 1f5t h PRO 4066Ca -0.45 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 1f5t h PRO 4066Cb 1.29 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1f5t h PRO 4066CO 0.61 0.29 -0.47 1.15 -0.23 0.00 0.00 178.00 179.34 1f5t h THR 4067N 0.45 1.33 0.29 1.56 2.02 -1.90 -2.58 112.91 114.08 1f5t h THR 4067Ca 0.39 -1.68 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 1f5t h THR 4067Cb 0.86 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1f5t h THR 4067CO -0.14 0.51 -0.14 1.23 0.37 0.00 0.00 175.52 177.36 1f5t h GLY 4068N 1.22 -0.41 0.91 2.16 0.00 -0.42 -2.72 103.07 103.82 1f5t h GLY 4068Ca 0.02 0.15 0.10 0.00 0.00 0.00 0.00 47.33 47.60 1f5t h GLY 4068CO 0.08 -0.15 0.47 -0.09 0.00 0.00 0.00 176.54 176.85 1f5t h ARG 4069N -0.81 0.55 0.32 4.80 2.43 -0.73 0.65 114.38 121.59 1f5t h ARG 4069Ca -0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1f5t h ARG 4069Cb 0.51 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1f5t h ARG 4069CO 0.07 0.36 -0.35 1.15 -1.51 0.00 0.00 179.97 179.69 1f5t h THR 4070N 0.56 0.28 -0.06 0.20 2.02 -1.42 0.75 112.91 115.26 1f5t h THR 4070Ca 0.33 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.55 1f5t h THR 4070Cb 0.52 0.28 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 1f5t h THR 4070CO -0.11 0.00 -0.29 0.25 0.37 0.00 0.00 175.52 175.74 1f5t h LEU 4071N -0.70 -0.88 -0.46 2.58 7.12 -0.98 -1.87 115.31 120.12 1f5t h LEU 4071Ca -0.02 0.12 0.09 0.00 0.13 0.00 0.00 57.88 58.21 1f5t h LEU 4071Cb 0.65 0.37 -0.10 0.00 -0.53 0.00 0.00 40.66 41.04 1f5t h LEU 4071CO -0.08 -0.35 -0.26 0.00 -0.13 0.00 0.00 178.44 177.62 1f5t h ALA 4072N 0.41 0.01 -0.17 1.25 0.00 -0.52 -1.27 119.26 118.97 1f5t h ALA 4072Ca 0.08 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1f5t h ALA 4072Cb 0.52 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1f5t h ALA 4072CO -0.28 -0.62 -0.23 1.79 0.00 0.00 0.00 179.25 179.90 1f5t h THR 4073N -0.17 1.24 -0.56 0.00 1.35 -0.55 -1.35 112.91 112.87 1f5t h THR 4073Ca 0.21 -1.10 -0.07 0.00 -0.55 0.00 0.00 66.41 64.89 1f5t h THR 4073Cb 0.50 1.36 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 1f5t h THR 4073CO -0.56 0.34 0.07 0.00 -0.25 0.00 0.00 175.52 175.12 1f5t h ALA 4074N 1.49 0.74 0.63 6.62 0.00 -0.45 0.24 119.26 128.53 1f5t h ALA 4074Ca 0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1f5t h ALA 4074Cb 0.56 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1f5t h ALA 4074CO 0.04 0.51 -0.30 0.28 0.00 0.00 0.00 179.25 179.78 1f5t h VAL 4075N 0.83 0.30 -0.82 0.00 2.07 -0.98 -1.38 116.25 116.26 1f5t h VAL 4075Ca 0.17 -0.22 0.18 0.00 0.82 0.00 0.00 66.70 67.65 1f5t h VAL 4075Cb 0.45 0.37 -0.11 0.00 -1.52 0.00 0.00 31.29 30.47 1f5t h VAL 4075CO 0.02 0.03 0.30 -0.03 0.02 0.00 0.00 177.57 177.91 1f5t h MET 4076N -1.01 0.36 -0.42 1.57 4.05 -1.19 0.16 114.93 118.46 1f5t h MET 4076Ca -0.09 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.29 1f5t h MET 4076Cb 0.69 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.39 1f5t h MET 4076CO 0.14 0.24 0.18 -0.09 0.23 0.00 0.00 176.91 177.62 1f5t h ARG 4077N 0.38 0.62 -0.14 0.39 2.43 -0.34 -2.55 114.38 115.17 1f5t h ARG 4077Ca 0.48 -0.10 -0.11 0.00 -0.81 0.00 0.00 59.98 59.44 1f5t h ARG 4077Cb 0.84 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1f5t h ARG 4077CO -0.50 0.56 -0.40 0.87 -1.51 0.00 0.00 179.97 178.99 1f5t h LYS 4078N 0.54 0.31 -0.93 0.20 1.57 -0.06 -2.69 116.57 115.51 1f5t h LYS 4078Ca 0.14 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1f5t h LYS 4078Cb 0.16 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 1f5t h LYS 4078CO -0.01 0.67 0.61 1.25 -0.57 0.00 0.00 179.45 181.39 1f5t h HIS 4079N 0.26 1.14 -0.07 -1.35 2.76 -0.35 -0.57 115.15 116.96 1f5t h HIS 4079Ca 0.02 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.20 1f5t h HIS 4079Cb 0.82 -0.38 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 1f5t h HIS 4079CO 0.02 0.67 -0.04 0.00 -1.30 0.00 0.00 177.93 177.28 1f5t h ARG 4080N 1.19 0.15 -0.03 5.26 3.08 -1.26 -1.42 114.38 121.35 1f5t h ARG 4080Ca 0.36 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.35 1f5t h ARG 4080Cb -0.03 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 1f5t h ARG 4080CO -0.11 0.54 0.05 -0.07 -1.07 0.00 0.00 179.97 179.31 1f5t h LEU 4081N -0.24 0.00 0.07 3.04 3.38 -1.13 0.29 115.31 120.72 1f5t h LEU 4081Ca 0.02 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.79 1f5t h LEU 4081Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1f5t h LEU 4081CO 0.01 0.00 -0.98 0.00 0.09 0.00 0.00 178.44 177.56 1f5t h ALA 4082N 1.93 0.12 -0.62 1.53 0.00 -1.00 -2.77 119.26 118.45 1f5t h ALA 4082Ca 0.02 -0.93 0.10 0.00 0.00 0.00 0.00 54.91 54.09 1f5t h ALA 4082Cb 0.11 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1f5t h ALA 4082CO -0.00 0.55 0.41 0.93 0.00 0.00 0.00 179.25 181.15 1f5t h GLU 4083N -0.63 0.43 0.00 0.00 5.08 -0.37 -0.71 114.58 118.38 1f5t h GLU 4083Ca -0.22 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1f5t h GLU 4083Cb 1.47 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1f5t h GLU 4083CO -0.00 0.28 -0.06 0.00 -1.00 0.00 0.00 179.01 178.22 1f5t h ARG 4084N 0.44 0.04 -0.95 2.33 3.08 -1.07 -3.03 114.38 115.22 1f5t h ARG 4084Ca 0.29 -0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.44 1f5t h ARG 4084Cb 0.54 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.51 1f5t h ARG 4084CO -0.08 0.84 0.57 1.25 -1.07 0.00 0.00 179.97 181.47 1f5t h LEU 4085N -0.74 0.77 -0.70 3.04 5.85 -1.12 0.29 115.31 122.71 1f5t h LEU 4085Ca -0.01 0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.65 1f5t h LEU 4085Cb 0.86 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1f5t h LEU 4085CO 0.01 0.35 -0.48 -0.07 -0.34 0.00 0.00 178.44 177.92 1f5t h LEU 4086N 0.82 0.46 0.14 2.25 3.38 -1.23 -2.14 115.31 118.98 1f5t h LEU 4086Ca 0.51 -0.22 -0.32 0.00 0.09 0.00 0.00 57.88 57.94 1f5t h LEU 4086Cb 0.65 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1f5t h LEU 4086CO -0.32 0.87 -1.65 0.74 0.09 0.00 0.00 178.44 178.16 1f5t h THR 4087N 0.34 0.90 0.11 0.22 2.02 -1.18 0.28 112.91 115.60 1f5t h THR 4087Ca 0.02 -2.41 -0.01 0.00 0.77 0.00 0.00 66.41 64.78 1f5t h THR 4087Cb 0.97 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 70.04 1f5t h THR 4087CO 0.08 0.78 -0.06 0.44 0.37 0.00 0.00 175.52 177.14 1f5t h ASP 4088N -0.11 -0.13 0.00 4.18 3.45 -0.58 -3.26 116.42 119.97 1f5t h ASP 4088Ca -0.35 -0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.04 1f5t h ASP 4088Cb 1.91 0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 40.71 1f5t h ASP 4088CO 0.09 0.36 -0.38 0.40 -1.57 0.00 0.00 179.24 178.14 1f5t h ILE 4089N -1.04 1.04 -0.09 0.35 2.04 -1.66 -3.37 117.51 114.77 1f5t h ILE 4089Ca -0.02 -1.91 -0.15 0.00 1.00 0.00 0.00 64.86 63.78 1f5t h ILE 4089Cb 0.14 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1f5t h ILE 4089CO 0.03 0.35 -0.61 0.40 0.00 0.00 0.00 178.15 178.32 1f5t h ILE 4090N -1.00 1.37 -3.02 -0.67 1.08 -1.50 -3.47 117.51 110.30 1f5t h ILE 4090Ca -0.09 -1.96 -0.21 0.00 -0.39 0.00 0.00 64.86 62.21 1f5t h ILE 4090Cb 0.84 1.96 0.05 0.00 -3.07 0.00 0.00 36.82 36.61 1f5t h ILE 4090CO -0.06 0.58 -0.34 0.61 -0.69 0.00 0.00 178.15 178.26 1f5t n GLY 4091N 0.29 0.10 3.78 5.37 0.00 -0.01 -4.99 105.19 109.74 1f5t n GLY 4091Ca -0.03 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 1f5t n GLY 4091CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1f5t s LEU 4092N -4.00 3.87 -0.15 0.99 2.96 0.78 -4.91 118.68 118.23 1f5t s LEU 4092Ca 0.23 2.07 -0.41 0.00 -0.22 0.00 0.00 54.13 55.79 1f5t s LEU 4092Cb -0.10 -4.48 -0.19 0.00 0.50 0.00 0.00 46.19 41.92 1f5t s LEU 4092CO 0.28 -0.90 1.35 -0.67 -1.32 0.00 0.00 176.35 175.09 1f5t n ASP 4093N -0.90 0.95 -0.30 3.68 4.64 -1.26 -4.65 116.55 118.70 1f5t n ASP 4093Ca 0.09 1.15 0.18 0.00 -1.38 0.00 0.00 54.79 54.83 1f5t n ASP 4093Cb 0.51 -0.99 0.45 0.00 -1.04 0.00 0.00 41.12 40.05 1f5t n ASP 4093CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1f5t h ILE 4094N 3.88 0.64 -0.22 5.18 1.08 -1.96 -2.16 117.51 123.96 1f5t h ILE 4094Ca -0.48 -0.18 -0.04 0.00 -0.39 0.00 0.00 64.86 63.77 1f5t h ILE 4094Cb 1.38 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 35.20 1f5t h ILE 4094CO 0.80 0.10 -0.02 0.78 -0.69 0.00 0.00 178.15 179.12 1f5t h ASN 4095N 0.53 0.40 0.34 1.72 2.35 -2.04 -2.91 115.58 115.96 1f5t h ASN 4095Ca 0.54 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1f5t h ASN 4095Cb 1.18 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.44 1f5t h ASN 4095CO -0.28 0.64 0.00 0.29 -1.65 0.00 0.00 177.43 176.43 1f5t n LYS 4096N -4.64 0.26 0.14 0.81 5.02 -0.84 -4.07 118.16 114.84 1f5t n LYS 4096Ca -0.04 0.11 -0.14 0.00 -2.02 0.00 0.00 58.31 56.22 1f5t n LYS 4096Cb 0.26 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.69 1f5t n LYS 4096CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1f5t h VAL 4097N 0.00 0.82 -0.45 -0.18 2.07 -1.26 -2.86 116.25 114.39 1f5t h VAL 4097Ca 0.00 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1f5t h VAL 4097Cb 0.17 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1f5t h VAL 4097CO 0.00 0.04 0.16 -0.74 0.02 0.00 0.00 177.57 177.06 1f5t h HIS 4098N -0.39 0.70 -0.97 1.57 -0.00 -1.78 -2.12 115.15 112.17 1f5t h HIS 4098Ca -0.03 -0.06 0.12 0.00 -0.00 0.00 0.00 60.37 60.40 1f5t h HIS 4098Cb 0.30 -0.21 -0.08 0.00 -0.00 0.00 0.00 27.41 27.42 1f5t h HIS 4098CO -0.03 0.62 0.61 -0.44 -0.00 0.00 0.00 177.93 178.69 1f5t h ASP 4099N 0.59 0.86 -0.04 3.26 3.32 -1.80 0.12 116.42 122.72 1f5t h ASP 4099Ca 0.15 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1f5t h ASP 4099Cb 0.23 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1f5t h ASP 4099CO -0.01 0.45 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.61 1f5t h GLU 4100N 0.92 0.09 0.00 3.56 4.39 -1.27 -3.07 114.58 119.20 1f5t h GLU 4100Ca 0.48 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.14 1f5t h GLU 4100Cb 0.53 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1f5t h GLU 4100CO -0.24 0.50 -0.01 0.00 -1.16 0.00 0.00 179.01 178.10 1f5t h ALA 4101N 0.59 1.46 0.00 3.43 0.00 -0.64 -0.47 119.26 123.62 1f5t h ALA 4101Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1f5t h ALA 4101Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1f5t h ALA 4101CO 0.01 0.01 0.00 0.22 0.00 0.00 0.00 179.25 179.49 1f5t h ASP 4102N 0.00 0.00 0.00 0.00 1.82 -0.70 -1.87 116.42 115.67 1f5t h ASP 4102Ca -0.00 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.39 1f5t h ASP 4102Cb 0.03 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.00 1f5t h ASP 4102CO 0.00 0.00 -1.77 0.54 -1.61 0.00 0.00 179.24 176.40 1f5t n ARG 4103N -2.42 0.50 -0.00 0.28 1.74 -0.23 -4.50 116.66 112.03 1f5t n ARG 4103Ca 0.00 0.21 0.21 0.00 -0.77 0.00 0.00 57.85 57.50 1f5t n ARG 4103Cb 0.16 -1.35 0.71 0.00 -1.02 0.00 0.00 32.46 30.96 1f5t n ARG 4103CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1f5t h TRP 4104N -0.88 0.00 -0.73 -1.55 4.06 -1.45 0.04 115.95 115.44 1f5t h TRP 4104Ca -0.37 0.00 0.13 0.00 2.06 0.00 0.00 58.89 60.70 1f5t h TRP 4104Cb 1.28 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.39 1f5t h TRP 4104CO -0.20 0.00 0.49 1.05 -3.56 0.00 0.00 178.44 176.22 1f5t h GLU 4105N 0.00 0.47 0.00 0.49 4.11 -1.56 -1.35 114.58 116.74 1f5t h GLU 4105Ca 0.26 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.66 1f5t h GLU 4105Cb 1.08 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1f5t h GLU 4105CO -0.00 0.31 -0.47 0.72 0.07 0.00 0.00 179.01 179.64 1f5t n HIS 4106N -4.49 0.17 -1.51 2.06 8.25 -0.00 -4.23 115.22 115.47 1f5t n HIS 4106Ca 0.13 0.05 0.07 0.00 -0.26 0.00 0.00 57.72 57.71 1f5t n HIS 4106Cb 0.45 -0.41 0.14 0.00 1.12 0.00 0.00 29.99 31.29 1f5t n HIS 4106CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1f5t n VAL 4107N -1.69 1.59 -4.03 1.59 3.14 -0.54 -5.00 118.33 113.40 1f5t n VAL 4107Ca 0.05 -2.23 -0.35 0.00 -2.96 0.00 0.00 64.34 58.86 1f5t n VAL 4107Cb 0.37 -0.03 -0.14 0.00 -1.06 0.00 0.00 33.84 32.98 1f5t n VAL 4107CO 0.00 0.00 0.00 -0.32 -6.46 0.00 0.00 176.83 170.05 1f5t s MET 4108N -2.38 3.43 0.75 1.45 0.00 -1.04 -5.05 119.30 116.46 1f5t s MET 4108Ca 0.31 -0.61 -0.12 0.00 0.00 0.00 0.00 55.69 55.27 1f5t s MET 4108Cb 0.29 -2.99 0.05 0.00 0.00 0.00 0.00 34.83 32.18 1f5t s MET 4108CO -0.03 -0.11 1.10 -1.54 0.00 0.00 0.00 175.02 174.44 1f5t s SER 4109N 1.27 4.56 0.19 1.11 1.04 -1.26 -4.89 113.70 115.71 1f5t s SER 4109Ca 0.03 1.89 -0.10 0.00 0.48 0.00 0.00 55.95 58.26 1f5t s SER 4109Cb -0.14 -2.53 0.11 0.00 0.10 0.00 0.00 66.02 63.55 1f5t s SER 4109CO -0.01 -2.00 1.74 0.44 0.98 0.00 0.00 173.24 174.38 1f5t h ASP 4110N -0.88 0.97 -0.40 7.02 3.45 -1.99 -1.81 116.42 122.78 1f5t h ASP 4110Ca -0.44 -0.19 0.04 0.00 0.43 0.00 0.00 57.03 56.87 1f5t h ASP 4110Cb 1.24 -0.25 -0.06 0.00 -0.56 0.00 0.00 39.33 39.69 1f5t h ASP 4110CO 0.51 0.89 -0.38 -0.08 -1.57 0.00 0.00 179.24 178.62 1f5t h GLU 4111N 0.99 -0.17 -0.57 3.56 4.22 -2.02 0.16 114.58 120.75 1f5t h GLU 4111Ca 0.23 0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.74 1f5t h GLU 4111Cb 0.25 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1f5t h GLU 4111CO -0.01 -0.11 0.38 0.28 -2.18 0.00 0.00 179.01 177.36 1f5t h VAL 4112N -0.18 0.98 0.22 0.32 2.07 -1.89 -3.04 116.25 114.74 1f5t h VAL 4112Ca 0.07 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1f5t h VAL 4112Cb 0.35 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1f5t h VAL 4112CO -0.47 0.10 -0.50 -0.08 0.02 0.00 0.00 177.57 176.64 1f5t h GLU 4113N 0.52 -0.76 -0.29 1.57 4.81 0.18 -0.32 114.58 120.30 1f5t h GLU 4113Ca 0.25 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.59 1f5t h GLU 4113Cb 0.30 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 1f5t h GLU 4113CO -0.07 -0.50 -0.09 0.00 -0.73 0.00 0.00 179.01 177.62 1f5t h ARG 4114N -0.78 -0.03 0.16 1.92 3.08 -1.30 -1.68 114.38 115.76 1f5t h ARG 4114Ca -0.02 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.04 1f5t h ARG 4114Cb 0.75 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.76 1f5t h ARG 4114CO -0.21 -0.02 -0.47 -0.09 -1.07 0.00 0.00 179.97 178.11 1f5t h ARG 4115N -0.03 -0.70 -0.31 0.04 1.12 -1.47 -1.04 114.38 111.99 1f5t h ARG 4115Ca 0.15 0.05 0.09 0.00 -1.11 0.00 0.00 59.98 59.15 1f5t h ARG 4115Cb 0.25 0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.35 1f5t h ARG 4115CO -0.32 -0.47 0.41 1.25 -3.11 0.00 0.00 179.97 177.73 1f5t h LEU 4116N -0.73 0.00 -0.07 3.80 5.85 -0.66 0.26 115.31 123.77 1f5t h LEU 4116Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1f5t h LEU 4116Cb 0.73 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1f5t h LEU 4116CO -0.24 0.00 0.00 0.55 -0.34 0.00 0.00 178.44 178.41 1f5t n VAL 4117N -3.54 0.42 -0.11 1.05 3.14 -0.40 -1.29 118.33 117.59 1f5t n VAL 4117Ca 0.05 0.02 -0.16 0.00 -2.96 0.00 0.00 64.34 61.29 1f5t n VAL 4117Cb 0.56 -0.69 -0.05 0.00 -1.06 0.00 0.00 33.84 32.59 1f5t n VAL 4117CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1f5t n LYS 4118N -1.72 0.55 0.12 1.45 5.02 0.88 -4.29 118.16 120.16 1f5t n LYS 4118Ca 0.05 0.24 -0.10 0.00 -2.02 0.00 0.00 58.31 56.48 1f5t n LYS 4118Cb 0.31 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 1f5t n LYS 4118CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1f5t h VAL 4119N -1.00 0.00 -1.30 -0.18 2.07 -1.49 -2.42 116.25 111.93 1f5t h VAL 4119Ca -0.24 0.00 0.38 0.00 0.82 0.00 0.00 66.70 67.66 1f5t h VAL 4119Cb 1.20 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1f5t h VAL 4119CO -0.14 0.00 1.14 0.25 0.02 0.00 0.00 177.57 178.83 1f5t h LEU 4120N -0.51 0.00 0.00 2.57 5.85 -1.44 -3.51 115.31 118.27 1f5t h LEU 4120Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1f5t h LEU 4120Cb 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1f5t h LEU 4120CO -0.10 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 178.29