#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kci s ILE 3954N 0.00 1.83 -0.07 12.58 1.01 -1.26 -4.35 121.20 130.94 3kci s ILE 3954Ca 0.00 -0.83 -0.18 0.00 0.00 0.00 0.00 60.65 59.64 3kci s ILE 3954Cb 0.00 -1.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 3kci s ILE 3954CO 0.00 0.50 0.48 -0.31 0.00 0.00 0.00 174.94 175.62 3kci s TYR 3955N 0.96 3.59 0.08 3.97 2.02 -0.28 0.08 117.35 127.79 3kci s TYR 3955Ca -0.05 0.97 0.04 0.00 -0.37 0.00 0.00 57.07 57.66 3kci s TYR 3955Cb -0.15 -2.50 -0.03 0.00 -0.40 0.00 0.00 41.96 38.88 3kci s TYR 3955CO -0.03 0.31 -0.11 0.20 -1.57 0.00 0.00 175.55 174.35 3kci s GLY 3956N 0.07 0.83 0.34 0.71 0.00 0.29 -1.37 107.32 108.19 3kci s GLY 3956Ca 0.26 -1.09 -0.18 0.00 0.00 0.00 0.00 44.72 43.72 3kci s GLY 3956CO 0.12 -1.14 0.77 0.66 0.00 0.00 0.00 173.10 173.51 3kci s TRP 3957N -1.93 0.00 0.00 1.90 -2.14 -0.23 -1.18 118.94 115.36 3kci s TRP 3957Ca 0.02 -0.59 0.00 0.00 2.66 0.00 0.00 56.10 58.18 3kci s TRP 3957Cb -0.06 0.79 0.00 0.00 -3.10 0.00 0.00 33.47 31.10 3kci s TRP 3957CO 0.01 -1.43 0.00 0.41 -2.66 0.00 0.00 176.95 173.28 3kci n GLY 3958N -0.51 -0.72 3.73 3.67 0.00 0.12 -1.08 105.19 110.41 3kci n GLY 3958Ca -0.07 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 3kci n GLY 3958CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kci s HIS 3959N 0.00 3.27 0.00 1.61 2.46 0.19 -0.80 115.29 122.01 3kci s HIS 3959Ca 0.00 1.16 0.00 0.00 0.47 0.00 0.00 55.06 56.69 3kci s HIS 3959Cb 0.00 -3.61 0.00 0.00 -0.13 0.00 0.00 32.58 28.84 3kci s HIS 3959CO 0.00 -1.96 0.84 -1.71 -2.47 0.00 0.00 174.74 169.44 3kci n ASN 3960N 3.02 0.00 0.21 9.88 5.15 0.11 -4.62 115.26 129.01 3kci n ASN 3960Ca 0.08 -1.71 0.15 0.00 -0.60 0.00 0.00 54.58 52.49 3kci n ASN 3960Cb 0.43 -0.14 0.56 0.00 -0.53 0.00 0.00 39.78 40.10 3kci n ASN 3960CO 0.00 0.00 0.00 1.12 1.40 0.00 0.00 177.26 179.78 3kci h HIS 3961N 0.00 0.00 0.00 1.20 2.07 -1.75 -2.89 115.15 113.79 3kci h HIS 3961Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 3kci h HIS 3961Cb 1.28 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.25 3kci h HIS 3961CO 0.02 0.00 -0.19 0.54 -3.07 0.00 0.00 177.93 175.22 3kci n ARG 3962N -2.75 1.15 -0.79 5.12 1.74 -1.26 -4.98 116.66 114.89 3kci n ARG 3962Ca 0.02 -2.53 0.00 0.00 -0.77 0.00 0.00 57.85 54.57 3kci n ARG 3962Cb 0.31 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 3kci n ARG 3962CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kci n GLY 3963N -1.14 0.52 0.44 -0.13 0.00 -1.09 -3.58 105.19 100.21 3kci n GLY 3963Ca 0.14 -0.77 0.26 0.00 0.00 0.00 0.00 46.02 45.66 3kci n GLY 3963CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kci h GLN 3964N 0.19 0.25 -0.48 1.61 7.50 -1.81 -1.96 115.11 120.42 3kci h GLN 3964Ca 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.13 3kci h GLN 3964Cb 0.00 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 27.47 3kci h GLN 3964CO 0.00 0.17 0.00 1.28 -1.50 0.00 0.00 178.83 178.78 3kci n LEU 3965N -4.48 3.52 0.00 1.46 4.77 -1.26 -4.36 117.00 116.64 3kci n LEU 3965Ca 0.24 -1.69 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 3kci n LEU 3965Cb 0.96 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 3kci n LEU 3965CO 0.31 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 3kci n GLY 3966N 1.42 0.40 0.00 -0.72 0.00 -0.74 -4.50 105.19 101.06 3kci n GLY 3966Ca 0.20 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3kci n GLY 3966CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kci n GLY 3967N -2.77 -0.45 3.89 -0.02 0.00 -0.48 -4.25 105.19 101.11 3kci n GLY 3967Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3kci n GLY 3967CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kci s ILE 3968N -0.31 4.24 0.15 -0.61 -4.36 -1.26 -5.04 121.20 114.00 3kci s ILE 3968Ca 0.00 0.52 -0.22 0.00 -0.26 0.00 0.00 60.65 60.70 3kci s ILE 3968Cb 0.00 -3.70 -0.08 0.00 1.25 0.00 0.00 42.46 39.94 3kci s ILE 3968CO 0.00 -0.85 0.69 -0.70 0.24 0.00 0.00 174.94 174.32 3kci s GLU 3969N -5.13 4.36 0.00 0.37 -6.30 -1.26 -4.96 118.70 105.78 3kci s GLU 3969Ca 0.54 0.94 0.00 0.00 -2.50 0.00 0.00 54.97 53.95 3kci s GLU 3969Cb -0.11 -3.15 0.00 0.00 0.00 0.00 0.00 34.13 30.88 3kci s GLU 3969CO 0.51 0.54 0.00 0.41 0.02 0.00 0.00 175.26 176.74 3kci n GLY 3970N 1.38 3.46 0.27 -1.50 0.00 -1.26 -4.85 105.19 102.68 3kci n GLY 3970Ca -0.06 -1.30 -0.01 0.00 0.00 0.00 0.00 46.02 44.65 3kci n GLY 3970CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kci h ALA 3971N 0.00 1.29 -3.33 4.61 0.00 -1.93 -3.40 119.26 116.50 3kci h ALA 3971Ca 0.00 -0.23 -0.63 0.00 0.00 0.00 0.00 54.91 54.04 3kci h ALA 3971Cb 0.00 -0.15 -0.33 0.00 0.00 0.00 0.00 17.79 17.31 3kci h ALA 3971CO 0.00 0.48 -0.86 0.15 0.00 0.00 0.00 179.25 179.02 3kci s LYS 3972N -4.89 2.67 -0.45 0.00 1.02 -1.26 -0.71 119.74 116.11 3kci s LYS 3972Ca -0.08 -0.74 -0.10 0.00 0.02 0.00 0.00 55.97 55.08 3kci s LYS 3972Cb 0.15 -2.08 0.10 0.00 -0.52 0.00 0.00 37.83 35.48 3kci s LYS 3972CO 0.77 0.10 0.31 0.08 -0.92 0.00 0.00 175.35 175.69 3kci s VAL 3973N 0.54 4.28 -1.79 3.17 1.01 0.02 -4.95 120.40 122.68 3kci s VAL 3973Ca -0.15 -1.58 0.26 0.00 0.00 0.00 0.00 61.98 60.51 3kci s VAL 3973Cb -0.17 -3.72 0.22 0.00 0.00 0.00 0.00 36.38 32.72 3kci s VAL 3973CO 0.05 -0.65 1.49 0.29 0.00 0.00 0.00 175.10 176.29 3kci n LYS 3974N 4.93 0.89 -4.20 2.72 5.02 -1.26 0.16 118.16 126.42 3kci n LYS 3974Ca -0.09 -0.57 -0.19 0.00 -2.02 0.00 0.00 58.31 55.45 3kci n LYS 3974Cb 0.42 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.82 3kci n LYS 3974CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3kci s VAL 3975N -2.50 1.10 0.13 -0.18 -7.23 -1.26 -0.27 120.40 110.19 3kci s VAL 3975Ca 0.23 -1.25 -0.33 0.00 -1.81 0.00 0.00 61.98 58.83 3kci s VAL 3975Cb 0.19 -1.05 -0.13 0.00 0.56 0.00 0.00 36.38 35.95 3kci s VAL 3975CO 0.53 -0.19 1.67 -2.65 -0.31 0.00 0.00 175.10 174.16 3kci n PRO 3976N 1.40 2.35 -4.49 4.82 -0.02 -1.26 -4.67 135.00 133.12 3kci n PRO 3976Ca -0.21 0.85 -0.21 0.00 -2.02 0.00 0.00 63.50 61.91 3kci n PRO 3976Cb 0.54 -2.66 -0.15 0.00 -0.02 0.00 0.00 33.50 31.21 3kci n PRO 3976CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3kci s THR 3977N 1.58 0.93 0.21 3.45 2.01 -0.33 -4.86 115.64 118.63 3kci s THR 3977Ca 0.80 -0.45 -0.32 0.00 0.31 0.00 0.00 61.69 62.03 3kci s THR 3977Cb -0.63 -0.81 -0.13 0.00 0.01 0.00 0.00 72.50 70.95 3kci s THR 3977CO 0.38 0.28 1.58 -2.65 -0.69 0.00 0.00 174.62 173.52 3kci n PRO 3978N 3.17 2.38 -3.66 4.92 -0.02 -1.26 -0.55 135.00 139.98 3kci n PRO 3978Ca -0.17 0.85 -0.38 0.00 -2.02 0.00 0.00 63.50 61.78 3kci n PRO 3978Cb 0.54 -2.62 -0.09 0.00 -0.02 0.00 0.00 33.50 31.31 3kci n PRO 3978CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kci h GLU 3980N 7.59 1.02 -0.55 0.00 3.07 -1.92 -1.94 114.58 121.84 3kci h GLU 3980Ca -0.06 -0.19 -0.08 0.00 -0.50 0.00 0.00 59.36 58.53 3kci h GLU 3980Cb 1.00 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.73 3kci h GLU 3980CO 0.74 0.85 0.04 0.00 -1.40 0.00 0.00 179.01 179.24 3kci h ALA 3981N 1.12 1.03 -0.27 3.43 0.00 -1.93 -1.07 119.26 121.57 3kci h ALA 3981Ca 0.23 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3kci h ALA 3981Cb 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kci h ALA 3981CO -0.02 0.61 -0.12 -0.07 0.00 0.00 0.00 179.25 179.65 3kci h LEU 3982N 0.85 0.57 -1.46 0.00 3.38 -1.81 -3.19 115.31 113.65 3kci h LEU 3982Ca 0.17 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 57.80 3kci h LEU 3982Cb 0.45 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3kci h LEU 3982CO 0.02 0.84 0.44 0.00 0.09 0.00 0.00 178.44 179.83 3kci h ALA 3983N 0.74 1.77 0.00 1.53 0.00 -0.91 -1.99 119.26 120.40 3kci h ALA 3983Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kci h ALA 3983Cb 0.62 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3kci h ALA 3983CO 0.04 0.13 -0.10 1.79 0.00 0.00 0.00 179.25 181.11 3kci h THR 3984N 0.66 0.60 0.00 0.00 1.35 -1.19 -0.66 112.91 113.67 3kci h THR 3984Ca 0.29 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3kci h THR 3984Cb 0.28 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3kci h THR 3984CO -0.09 0.10 0.00 0.18 -0.25 0.00 0.00 175.52 175.46 3kci n LEU 3985N -3.74 0.73 -3.87 3.87 4.77 -0.75 -4.94 117.00 113.06 3kci n LEU 3985Ca -0.02 0.60 -0.39 0.00 -0.03 0.00 0.00 56.01 56.17 3kci n LEU 3985Cb 0.20 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 40.91 3kci n LEU 3985CO 0.30 -0.30 -0.12 0.54 -1.33 0.00 0.00 177.39 176.48 3kci n ARG 3986N -2.22 -0.73 -2.17 3.23 1.74 -0.26 -4.67 116.66 111.59 3kci n ARG 3986Ca 0.04 0.27 -0.39 0.00 -0.77 0.00 0.00 57.85 57.01 3kci n ARG 3986Cb 0.36 -3.31 -0.01 0.00 -1.02 0.00 0.00 32.46 28.47 3kci n ARG 3986CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3kci s PRO 3987N -6.67 4.00 0.13 5.56 0.04 -1.26 -4.21 135.00 132.58 3kci s PRO 3987Ca 0.48 2.00 0.24 0.00 0.04 0.00 0.00 61.00 63.76 3kci s PRO 3987Cb -0.22 -2.72 0.26 0.00 0.04 0.00 0.00 34.50 31.87 3kci s PRO 3987CO 0.92 -0.41 1.25 -0.39 0.04 0.00 0.00 177.00 178.40 3kci h VAL 3988N 2.39 0.00 -2.94 -0.36 -1.51 -0.64 -3.47 116.25 109.72 3kci h VAL 3988Ca -0.49 -0.56 -0.14 0.00 -1.23 0.00 0.00 66.70 64.27 3kci h VAL 3988Cb 1.24 1.10 -0.25 0.00 -2.13 0.00 0.00 31.29 31.26 3kci h VAL 3988CO 0.62 0.00 -0.33 -1.58 -1.23 0.00 0.00 177.57 175.06 3kci s GLN 3989N -3.20 0.40 -0.02 5.19 0.74 -1.13 -4.99 119.66 116.65 3kci s GLN 3989Ca 0.05 0.43 0.03 0.00 0.05 0.00 0.00 55.36 55.92 3kci s GLN 3989Cb 0.13 0.19 -0.00 0.00 1.10 0.00 0.00 33.01 34.43 3kci s GLN 3989CO 0.74 -0.05 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.80 3kci s LEU 3990N 0.10 1.88 -0.23 3.68 1.43 -1.26 -0.89 118.68 123.39 3kci s LEU 3990Ca -0.01 -0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 52.69 3kci s LEU 3990Cb -0.02 -0.64 0.06 0.00 0.03 0.00 0.00 46.19 45.62 3kci s LEU 3990CO 0.01 0.10 0.59 -0.51 0.23 0.00 0.00 176.35 176.77 3kci s ILE 3991N 0.03 -0.00 0.15 -0.59 2.07 -0.72 -4.77 121.20 117.35 3kci s ILE 3991Ca -0.01 0.02 0.09 0.00 -1.41 0.00 0.00 60.65 59.34 3kci s ILE 3991Cb -0.08 -0.84 -0.04 0.00 0.13 0.00 0.00 42.46 41.63 3kci s ILE 3991CO 0.00 0.01 -0.16 -0.83 -1.91 0.00 0.00 174.94 172.05 3kci s GLY 3992N 0.84 1.71 0.00 1.50 0.00 -0.19 -0.45 107.32 110.73 3kci s GLY 3992Ca -0.04 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.24 3kci s GLY 3992CO -0.07 -1.44 0.00 0.61 0.00 0.00 0.00 173.10 172.20 3kci n GLY 3993N 0.47 4.15 3.55 0.20 0.00 -0.85 -3.92 105.19 108.79 3kci n GLY 3993Ca -0.14 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 3kci n GLY 3993CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kci s GLU 3994N 2.57 2.63 -1.71 1.61 2.56 -0.62 -1.66 118.70 124.08 3kci s GLU 3994Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 54.97 55.58 3kci s GLU 3994Cb 0.00 -4.39 0.00 0.00 2.00 0.00 0.00 34.13 31.74 3kci s GLU 3994CO 0.00 -2.73 0.00 1.04 -0.56 0.00 0.00 175.26 173.01 3kci n GLN 3995N 9.19 -1.55 -4.18 4.30 6.02 -1.26 -4.79 117.38 125.11 3kci n GLN 3995Ca 0.20 0.97 -0.11 0.00 -0.01 0.00 0.00 57.00 58.05 3kci n GLN 3995Cb 0.52 -5.54 -0.10 0.00 1.02 0.00 0.00 30.24 26.14 3kci n GLN 3995CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3kci s THR 3996N -2.96 0.65 -0.05 5.09 -4.23 -1.16 -1.13 115.64 111.86 3kci s THR 3996Ca 0.00 -1.94 -0.03 0.00 -1.18 0.00 0.00 61.69 58.54 3kci s THR 3996Cb 0.00 -1.78 0.03 0.00 1.34 0.00 0.00 72.50 72.09 3kci s THR 3996CO 0.00 -0.78 0.12 -0.22 -0.54 0.00 0.00 174.62 173.19 3kci s LEU 3997N -3.07 1.12 -0.02 4.79 2.96 -0.33 -2.00 118.68 122.13 3kci s LEU 3997Ca 0.15 0.23 0.07 0.00 -0.22 0.00 0.00 54.13 54.36 3kci s LEU 3997Cb 0.06 0.31 -0.02 0.00 0.50 0.00 0.00 46.19 47.04 3kci s LEU 3997CO -0.03 -0.10 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.32 3kci s PHE 3998N 0.70 2.44 -0.05 5.38 0.08 0.40 -1.09 117.98 125.84 3kci s PHE 3998Ca -0.05 -0.35 0.05 0.00 0.12 0.00 0.00 56.93 56.70 3kci s PHE 3998Cb -0.07 -1.52 -0.01 0.00 -0.57 0.00 0.00 43.02 40.85 3kci s PHE 3998CO -0.03 0.05 -0.21 0.00 -0.10 0.00 0.00 175.22 174.93 3kci s ALA 3999N -0.68 1.86 -0.15 5.36 0.00 0.33 -1.76 121.76 126.72 3kci s ALA 3999Ca 0.11 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 3kci s ALA 3999Cb -0.10 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 3kci s ALA 3999CO 0.00 0.35 -0.11 0.08 0.00 0.00 0.00 175.76 176.09 3kci s VAL 4000N -0.08 3.21 0.47 0.00 1.01 -0.07 -1.15 120.40 123.78 3kci s VAL 4000Ca -0.03 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 3kci s VAL 4000Cb -0.13 -2.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.88 3kci s VAL 4000CO 0.03 0.51 0.70 0.42 0.00 0.00 0.00 175.10 176.75 3kci s THR 4001N 0.52 3.89 0.51 3.92 -4.23 -0.32 0.06 115.64 119.99 3kci s THR 4001Ca -0.07 -0.45 0.20 0.00 -1.18 0.00 0.00 61.69 60.18 3kci s THR 4001Cb -0.15 -3.45 0.27 0.00 1.34 0.00 0.00 72.50 70.51 3kci s THR 4001CO 0.04 -0.33 2.13 0.00 -0.54 0.00 0.00 174.62 175.91 3kci h ALA 4002N 0.32 1.75 -0.52 3.99 0.00 -1.83 -1.32 119.26 121.65 3kci h ALA 4002Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3kci h ALA 4002Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3kci h ALA 4002CO 0.57 0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.50 3kci n ASP 4003N -4.24 4.66 0.00 0.00 5.75 -1.26 -4.93 116.55 116.52 3kci n ASP 4003Ca -0.03 -2.62 0.00 0.00 -0.01 0.00 0.00 54.79 52.14 3kci n ASP 4003Cb 0.14 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 3kci n ASP 4003CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kci n GLY 4004N 0.74 0.43 3.90 6.12 0.00 -0.50 -4.82 105.19 111.07 3kci n GLY 4004Ca 0.23 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 3kci n GLY 4004CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kci s LYS 4005N -1.91 3.67 -0.08 1.61 -0.14 -1.26 -1.35 119.74 120.29 3kci s LYS 4005Ca 0.00 0.10 0.04 0.00 -1.36 0.00 0.00 55.97 54.75 3kci s LYS 4005Cb 0.00 -2.60 -0.00 0.00 -1.68 0.00 0.00 37.83 33.55 3kci s LYS 4005CO 0.00 0.17 -0.22 -0.51 -0.76 0.00 0.00 175.35 174.04 3kci s LEU 4006N -3.57 2.00 0.09 3.17 1.43 -1.26 -1.17 118.68 119.37 3kci s LEU 4006Ca 0.45 -0.49 0.08 0.00 -1.03 0.00 0.00 54.13 53.15 3kci s LEU 4006Cb -0.11 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 3kci s LEU 4006CO 0.30 0.16 -0.22 -0.31 0.23 0.00 0.00 176.35 176.51 3kci s TYR 4007N 0.23 1.89 0.05 0.29 2.02 -0.30 -0.90 117.35 120.63 3kci s TYR 4007Ca -0.13 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.21 3kci s TYR 4007Cb -0.16 -1.07 -0.02 0.00 -0.40 0.00 0.00 41.96 40.31 3kci s TYR 4007CO 0.06 0.18 -0.11 0.00 -1.57 0.00 0.00 175.55 174.12 3kci s ALA 4008N -1.02 0.84 0.02 3.71 0.00 -0.30 -0.51 121.76 124.50 3kci s ALA 4008Ca 0.08 -0.84 -0.08 0.00 0.00 0.00 0.00 51.96 51.13 3kci s ALA 4008Cb -0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 3kci s ALA 4008CO 0.04 0.07 0.15 -0.08 0.00 0.00 0.00 175.76 175.94 3kci s THR 4009N -1.24 0.10 0.00 0.00 -1.32 -0.25 -0.69 115.64 112.24 3kci s THR 4009Ca -0.06 -0.84 0.00 0.00 -1.21 0.00 0.00 61.69 59.58 3kci s THR 4009Cb -0.09 -0.70 0.00 0.00 -1.51 0.00 0.00 72.50 70.20 3kci s THR 4009CO 0.01 -0.46 0.00 0.61 -2.21 0.00 0.00 174.62 172.57 3kci n GLY 4010N 1.05 0.22 3.72 6.08 0.00 -0.40 -1.19 105.19 114.67 3kci n GLY 4010Ca -0.21 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 3kci n GLY 4010CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3kci s TYR 4011N 0.00 3.31 -2.01 1.61 5.04 -0.28 -1.60 117.35 123.42 3kci s TYR 4011Ca 0.00 1.15 0.22 0.00 -2.44 0.00 0.00 57.07 56.01 3kci s TYR 4011Cb 0.00 -3.57 -0.01 0.00 0.35 0.00 0.00 41.96 38.73 3kci s TYR 4011CO 0.00 -1.87 1.07 0.41 -1.34 0.00 0.00 175.55 173.82 3kci n GLY 4012N 2.98 0.04 3.60 8.97 0.00 -1.26 -4.54 105.19 114.99 3kci n GLY 4012Ca 0.09 -0.64 -0.47 0.00 0.00 0.00 0.00 46.02 45.00 3kci n GLY 4012CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kci n ALA 4013N -0.02 -0.19 -0.96 4.61 0.00 -1.23 -1.68 120.51 121.04 3kci n ALA 4013Ca 0.09 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3kci n ALA 4013Cb 0.46 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.83 3kci n ALA 4013CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kci n GLY 4014N 1.80 0.67 2.02 0.00 0.00 -1.26 -2.99 105.19 105.43 3kci n GLY 4014Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 3kci n GLY 4014CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kci n GLY 4015N -2.18 0.44 0.31 -0.02 0.00 -0.68 -3.69 105.19 99.36 3kci n GLY 4015Ca 0.00 -0.96 0.18 0.00 0.00 0.00 0.00 46.02 45.25 3kci n GLY 4015CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kci h ARG 4016N 0.10 0.00 0.00 1.61 0.11 -1.59 -2.83 114.38 111.77 3kci h ARG 4016Ca -0.01 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.88 3kci h ARG 4016Cb 0.05 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.10 3kci h ARG 4016CO 0.02 0.03 -0.88 -0.07 0.10 0.00 0.00 179.97 179.17 3kci h LEU 4017N 0.00 0.00 0.00 0.08 3.38 -1.81 -3.45 115.31 113.52 3kci h LEU 4017Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kci h LEU 4017Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3kci h LEU 4017CO 0.00 0.88 0.00 0.61 0.09 0.00 0.00 178.44 180.02 3kci n GLY 4018N 1.17 0.68 0.04 0.83 0.00 -1.07 -4.74 105.19 102.09 3kci n GLY 4018Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3kci n GLY 4018CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kci n ILE 4019N -2.63 0.20 0.00 -0.61 -5.35 -1.25 -4.27 119.36 105.45 3kci n ILE 4019Ca 0.00 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 3kci n ILE 4019Cb 0.00 -0.14 0.00 0.00 -1.74 0.00 0.00 39.64 37.76 3kci n ILE 4019CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kci n GLY 4020N 1.42 3.29 7.00 3.28 0.00 -1.16 -4.82 105.19 114.20 3kci n GLY 4020Ca 0.05 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3kci n GLY 4020CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kci n GLY 4021N 0.66 -0.60 0.04 -0.02 0.00 -1.26 -4.57 105.19 99.45 3kci n GLY 4021Ca 0.00 -1.11 0.01 0.00 0.00 0.00 0.00 46.02 44.93 3kci n GLY 4021CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kci n THR 4022N -0.26 0.84 -2.26 2.61 -2.24 -1.26 -3.99 114.28 107.71 3kci n THR 4022Ca 0.00 -0.90 -0.38 0.00 -2.27 0.00 0.00 64.05 60.50 3kci n THR 4022Cb 0.00 0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 68.72 3kci n THR 4022CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3kci s GLU 4023N -0.99 3.96 0.40 -0.78 0.41 -1.26 -3.58 118.70 116.86 3kci s GLU 4023Ca 0.05 1.85 -0.17 0.00 -0.41 0.00 0.00 54.97 56.28 3kci s GLU 4023Cb 0.04 -2.60 -0.09 0.00 -1.78 0.00 0.00 34.13 29.70 3kci s GLU 4023CO 0.00 -0.41 0.86 -1.12 -0.49 0.00 0.00 175.26 174.11 3kci s SER 4024N -1.17 6.80 0.15 -0.19 0.01 -1.26 -4.12 113.70 113.92 3kci s SER 4024Ca 0.59 1.48 0.06 0.00 1.31 0.00 0.00 55.95 59.40 3kci s SER 4024Cb -0.31 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.42 3kci s SER 4024CO 0.38 -0.34 -0.14 0.68 0.41 0.00 0.00 173.24 174.23 3kci s VAL 4025N -2.19 1.48 -0.12 3.43 -7.23 -0.63 -4.91 120.40 110.22 3kci s VAL 4025Ca 0.58 -1.94 0.09 0.00 -1.81 0.00 0.00 61.98 58.90 3kci s VAL 4025Cb -0.10 -1.77 0.16 0.00 0.56 0.00 0.00 36.38 35.24 3kci s VAL 4025CO 0.19 -0.51 1.10 -1.20 -0.31 0.00 0.00 175.10 174.37 3kci n SER 4026N 0.13 2.30 -3.95 4.85 7.64 -1.26 -1.27 113.62 122.06 3kci n SER 4026Ca -0.12 -2.46 -0.10 0.00 1.01 0.00 0.00 58.87 57.21 3kci n SER 4026Cb 0.58 -0.20 -0.10 0.00 -1.01 0.00 0.00 64.21 63.48 3kci n SER 4026CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3kci s THR 4027N -1.79 0.11 0.12 0.44 -1.32 -1.26 -1.38 115.64 110.55 3kci s THR 4027Ca 0.16 -0.91 -0.31 0.00 -1.21 0.00 0.00 61.69 59.42 3kci s THR 4027Cb 0.13 -0.44 -0.10 0.00 -1.51 0.00 0.00 72.50 70.58 3kci s THR 4027CO 0.03 -0.50 1.80 -2.84 -2.21 0.00 0.00 174.62 170.89 3kci s PRO 4028N -1.68 4.15 -0.14 7.08 0.02 -1.26 -4.58 135.00 138.58 3kci s PRO 4028Ca -0.13 2.56 0.02 0.00 0.02 0.00 0.00 61.00 63.46 3kci s PRO 4028Cb -0.07 -3.57 0.01 0.00 0.02 0.00 0.00 34.50 30.89 3kci s PRO 4028CO -0.01 -0.82 -0.20 0.99 -0.33 0.00 0.00 177.00 176.63 3kci s THR 4029N 2.64 1.93 0.19 0.99 2.01 0.14 -4.85 115.64 118.69 3kci s THR 4029Ca 0.79 -0.89 -0.31 0.00 0.31 0.00 0.00 61.69 61.59 3kci s THR 4029Cb -0.45 -1.72 -0.11 0.00 0.01 0.00 0.00 72.50 70.23 3kci s THR 4029CO 0.35 0.52 1.61 -0.22 -0.69 0.00 0.00 174.62 176.20 3kci s LEU 4030N 0.96 4.37 -1.12 4.42 2.96 -1.26 -1.14 118.68 127.86 3kci s LEU 4030Ca -0.04 2.73 -0.21 0.00 -0.22 0.00 0.00 54.13 56.38 3kci s LEU 4030Cb -0.15 -3.60 0.06 0.00 0.50 0.00 0.00 46.19 43.00 3kci s LEU 4030CO -0.04 -0.87 1.55 -0.76 -1.32 0.00 0.00 176.35 174.90 3kci s LEU 4031N 0.93 3.67 0.33 -0.68 1.02 -0.07 -4.85 118.68 119.03 3kci s LEU 4031Ca 0.70 -1.84 0.03 0.00 0.02 0.00 0.00 54.13 53.05 3kci s LEU 4031Cb -0.46 -2.57 0.57 0.00 0.02 0.00 0.00 46.19 43.75 3kci s LEU 4031CO 0.33 -1.37 1.88 -0.33 0.02 0.00 0.00 176.35 176.89 3kci h GLU 4032N 8.96 0.62 0.00 1.70 3.07 -1.87 -3.02 114.58 124.03 3kci h GLU 4032Ca 0.29 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 3kci h GLU 4032Cb 0.96 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 3kci h GLU 4032CO 1.43 0.59 0.00 -1.13 -1.40 0.00 0.00 179.01 178.50 3kci n SER 4033N -4.30 0.30 0.00 1.42 3.41 -1.26 -1.64 113.62 111.55 3kci n SER 4033Ca 0.02 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 3kci n SER 4033Cb 0.22 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 3kci n SER 4033CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kci n ILE 4034N -1.87 0.56 0.28 -1.33 3.06 -1.14 -4.72 119.36 114.20 3kci n ILE 4034Ca 0.01 -0.70 0.15 0.00 -2.50 0.00 0.00 62.75 59.71 3kci n ILE 4034Cb 0.12 0.77 0.75 0.00 0.54 0.00 0.00 39.64 41.82 3kci n ILE 4034CO 0.00 0.00 0.00 0.06 -2.50 0.00 0.00 176.55 174.11 3kci h GLN 4035N 0.00 0.00 0.00 9.51 3.07 -1.32 0.28 115.11 126.64 3kci h GLN 4035Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3kci h GLN 4035Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.97 3kci h GLN 4035CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 178.83 176.53 3kci n HIS 4036N -2.61 0.00 -4.51 0.06 1.44 -1.26 -4.77 115.22 103.57 3kci n HIS 4036Ca -0.01 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.36 3kci n HIS 4036Cb 0.14 -0.19 -0.12 0.00 0.12 0.00 0.00 29.99 29.94 3kci n HIS 4036CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3kci s VAL 4037N -2.38 3.83 -0.48 0.61 1.01 0.08 -5.08 120.40 117.99 3kci s VAL 4037Ca 0.30 -0.41 -0.25 0.00 0.00 0.00 0.00 61.98 61.62 3kci s VAL 4037Cb 0.18 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.97 3kci s VAL 4037CO 0.37 0.55 0.94 0.12 0.00 0.00 0.00 175.10 177.08 3kci s PHE 4038N -0.27 2.88 -0.12 5.22 5.36 -1.26 -4.70 117.98 125.10 3kci s PHE 4038Ca 0.04 0.30 -0.17 0.00 -0.96 0.00 0.00 56.93 56.15 3kci s PHE 4038Cb -0.13 -4.01 -0.04 0.00 -0.34 0.00 0.00 43.02 38.49 3kci s PHE 4038CO 0.02 -1.17 0.43 0.42 -1.46 0.00 0.00 175.22 173.46 3kci s ILE 4039N 3.84 5.20 -0.49 3.12 -1.09 -0.45 -0.64 121.20 130.69 3kci s ILE 4039Ca 0.36 0.85 0.15 0.00 -2.23 0.00 0.00 60.65 59.78 3kci s ILE 4039Cb -0.10 -3.77 -0.19 0.00 -1.58 0.00 0.00 42.46 36.82 3kci s ILE 4039CO 0.25 0.36 0.54 2.29 -1.23 0.00 0.00 174.94 177.15 3kci n LYS 4040N 3.48 1.54 -3.62 2.79 2.85 0.43 -4.34 118.16 121.30 3kci n LYS 4040Ca -0.09 -0.05 -0.13 0.00 -1.05 0.00 0.00 58.31 56.99 3kci n LYS 4040Cb 0.52 -1.26 -0.07 0.00 -0.65 0.00 0.00 35.03 33.57 3kci n LYS 4040CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 3kci s LYS 4041N -2.63 0.78 -0.03 -1.58 2.20 -1.20 -4.98 119.74 112.31 3kci s LYS 4041Ca 0.02 0.79 0.04 0.00 -0.36 0.00 0.00 55.97 56.46 3kci s LYS 4041Cb 0.11 0.38 -0.03 0.00 -1.51 0.00 0.00 37.83 36.78 3kci s LYS 4041CO 0.62 -0.12 -0.14 0.08 -0.36 0.00 0.00 175.35 175.43 3kci s VAL 4042N 0.10 3.08 -0.12 4.02 1.01 -1.26 -0.12 120.40 127.11 3kci s VAL 4042Ca -0.01 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3kci s VAL 4042Cb -0.04 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 3kci s VAL 4042CO 0.01 0.54 -0.16 0.00 0.00 0.00 0.00 175.10 175.48 3kci s ALA 4043N -0.78 2.49 -0.11 5.51 0.00 0.49 -4.99 121.76 124.37 3kci s ALA 4043Ca 0.12 -0.92 -0.14 0.00 0.00 0.00 0.00 51.96 51.03 3kci s ALA 4043Cb -0.11 -1.10 0.03 0.00 0.00 0.00 0.00 23.12 21.94 3kci s ALA 4043CO 0.02 0.25 0.37 0.54 0.00 0.00 0.00 175.76 176.93 3kci s VAL 4044N 0.37 0.01 0.35 0.00 0.11 -1.26 -1.04 120.40 118.94 3kci s VAL 4044Ca -0.13 -0.12 -0.21 0.00 -2.93 0.00 0.00 61.98 58.59 3kci s VAL 4044Cb -0.16 -0.56 -0.10 0.00 -1.53 0.00 0.00 36.38 34.03 3kci s VAL 4044CO 0.06 -0.06 0.88 0.21 -3.33 0.00 0.00 175.10 172.86 3kci s ASN 4045N -0.21 7.03 0.57 3.54 3.84 -1.22 -4.75 114.94 123.74 3kci s ASN 4045Ca -0.04 1.62 0.28 0.00 0.21 0.00 0.00 52.86 54.93 3kci s ASN 4045Cb -0.03 -2.50 1.69 0.00 -0.55 0.00 0.00 41.25 39.85 3kci s ASN 4045CO 0.02 -0.20 2.21 0.28 -2.79 0.00 0.00 177.10 176.61 3kci h SER 4046N 2.53 0.00 -0.51 -4.21 0.02 -1.85 0.31 113.55 109.84 3kci h SER 4046Ca -0.48 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.45 3kci h SER 4046Cb 1.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 3kci h SER 4046CO 0.63 0.03 0.03 0.61 -1.14 0.00 0.00 176.83 176.99 3kci n GLY 4047N -1.20 3.37 3.96 -3.77 0.00 -1.26 -1.91 105.19 104.38 3kci n GLY 4047Ca -0.03 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 3kci n GLY 4047CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kci s GLY 4048N -1.14 1.38 -0.05 -0.02 0.00 0.11 -4.61 107.32 102.99 3kci s GLY 4048Ca 0.51 -1.08 0.07 0.00 0.00 0.00 0.00 44.72 44.23 3kci s GLY 4048CO 0.14 -1.01 1.00 0.28 0.00 0.00 0.00 173.10 173.51 3kci n LYS 4049N -1.73 0.68 -3.95 2.90 4.01 -1.26 -1.59 118.16 117.21 3kci n LYS 4049Ca -0.04 -1.54 -0.09 0.00 -0.51 0.00 0.00 58.31 56.13 3kci n LYS 4049Cb 0.57 -0.89 -0.09 0.00 -0.51 0.00 0.00 35.03 34.11 3kci n LYS 4049CO 0.00 0.00 0.00 -3.38 -1.11 0.00 0.00 177.40 172.91 3kci s HIS 4050N -1.09 0.26 0.18 2.13 -3.43 -1.26 -1.41 115.29 110.66 3kci s HIS 4050Ca 0.11 -0.62 0.09 0.00 -0.80 0.00 0.00 55.06 53.84 3kci s HIS 4050Cb 0.10 -0.18 -0.04 0.00 -1.43 0.00 0.00 32.58 31.02 3kci s HIS 4050CO 0.01 -0.38 -0.18 0.00 -2.00 0.00 0.00 174.74 172.19 3kci s LEU 4052N -2.75 3.27 -0.02 0.00 1.43 -0.21 -2.25 118.68 118.15 3kci s LEU 4052Ca 0.17 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 3kci s LEU 4052Cb -0.05 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.19 3kci s LEU 4052CO 0.07 0.21 -0.10 0.00 0.23 0.00 0.00 176.35 176.76 3kci s ALA 4053N -1.18 0.93 -0.20 4.21 0.00 0.12 -0.38 121.76 125.26 3kci s ALA 4053Ca 0.22 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 51.73 3kci s ALA 4053Cb -0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 3kci s ALA 4053CO 0.14 0.17 -0.00 -1.17 0.00 0.00 0.00 175.76 174.89 3kci s LEU 4054N 0.08 3.26 0.62 0.00 2.96 0.83 -0.78 118.68 125.65 3kci s LEU 4054Ca -0.02 -0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 3kci s LEU 4054Cb -0.08 -1.82 0.03 0.00 0.50 0.00 0.00 46.19 44.82 3kci s LEU 4054CO 0.00 0.06 0.90 -0.94 -1.32 0.00 0.00 176.35 175.06 3kci s SER 4055N 1.00 5.22 0.64 3.68 1.04 -0.37 -0.42 113.70 124.48 3kci s SER 4055Ca 0.02 0.42 0.42 0.00 0.48 0.00 0.00 55.95 57.28 3kci s SER 4055Cb -0.14 -1.26 2.17 0.00 0.10 0.00 0.00 66.02 66.88 3kci s SER 4055CO 0.02 -1.27 2.28 0.77 0.98 0.00 0.00 173.24 176.01 3kci h SER 4056N -0.25 0.00 -0.13 7.02 4.64 -1.22 -1.42 113.55 122.18 3kci h SER 4056Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3kci h SER 4056Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3kci h SER 4056CO 0.58 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.92 3kci n GLU 4057N -3.08 1.70 -1.92 4.77 1.02 -1.26 -4.94 120.64 116.94 3kci n GLU 4057Ca -0.02 -1.05 -0.03 0.00 -0.02 0.00 0.00 57.16 56.04 3kci n GLU 4057Cb 0.13 -1.41 -0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3kci n GLU 4057CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kci n GLY 4058N 1.13 0.30 3.70 0.62 0.00 -0.54 -4.81 105.19 105.60 3kci n GLY 4058Ca 0.17 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 3kci n GLY 4058CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kci s GLU 4059N -3.87 2.54 -0.12 1.61 2.02 -1.26 -1.22 118.70 118.40 3kci s GLU 4059Ca 0.00 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.00 3kci s GLU 4059Cb 0.00 -2.46 -0.02 0.00 0.10 0.00 0.00 34.13 31.75 3kci s GLU 4059CO 0.00 0.48 -0.13 0.08 0.02 0.00 0.00 175.26 175.71 3kci s VAL 4060N -1.63 3.05 0.02 2.63 1.01 -1.26 -1.24 120.40 122.98 3kci s VAL 4060Ca 0.28 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.63 3kci s VAL 4060Cb -0.10 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 3kci s VAL 4060CO 0.19 0.53 -0.09 -0.31 0.00 0.00 0.00 175.10 175.43 3kci s TYR 4061N 0.22 2.81 0.07 5.22 2.02 0.04 0.30 117.35 128.03 3kci s TYR 4061Ca -0.08 -0.09 0.01 0.00 -0.37 0.00 0.00 57.07 56.54 3kci s TYR 4061Cb -0.15 -1.57 -0.03 0.00 -0.40 0.00 0.00 41.96 39.80 3kci s TYR 4061CO 0.05 0.35 -0.06 -1.54 -1.57 0.00 0.00 175.55 172.78 3kci s SER 4062N -1.46 0.85 0.22 2.29 1.04 -0.48 0.16 113.70 116.32 3kci s SER 4062Ca 0.17 -0.82 -0.22 0.00 0.48 0.00 0.00 55.95 55.55 3kci s SER 4062Cb -0.11 0.10 0.04 0.00 0.10 0.00 0.00 66.02 66.15 3kci s SER 4062CO 0.07 -0.40 0.72 -1.66 0.98 0.00 0.00 173.24 172.96 3kci s TRP 4063N -2.81 -0.28 0.00 5.02 -2.14 -0.95 -1.14 118.94 116.64 3kci s TRP 4063Ca 0.02 -0.08 0.00 0.00 2.66 0.00 0.00 56.10 58.70 3kci s TRP 4063Cb -0.00 0.66 0.00 0.00 -3.10 0.00 0.00 33.47 31.02 3kci s TRP 4063CO -0.04 -1.07 0.00 0.41 -2.66 0.00 0.00 176.95 173.59 3kci n GLY 4064N -0.43 0.08 3.74 3.67 0.00 0.15 -1.18 105.19 111.22 3kci n GLY 4064Ca -0.08 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 3kci n GLY 4064CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kci s GLU 4065N 0.00 2.86 0.00 1.61 2.02 -0.50 -3.21 118.70 121.47 3kci s GLU 4065Ca 0.00 2.16 0.00 0.00 0.02 0.00 0.00 54.97 57.15 3kci s GLU 4065Cb 0.00 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.17 3kci s GLU 4065CO 0.00 -1.39 0.71 0.00 0.02 0.00 0.00 175.26 174.60 3kci n ALA 4066N -1.45 2.18 -1.54 5.21 0.00 -1.26 -4.58 120.51 119.08 3kci n ALA 4066Ca 0.13 -0.71 -0.46 0.00 0.00 0.00 0.00 53.44 52.40 3kci n ALA 4066Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.89 3kci n ALA 4066CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kci n GLU 4067N -0.22 0.94 -0.87 0.00 4.71 -1.26 -2.00 120.64 121.94 3kci n GLU 4067Ca 0.00 0.33 0.00 0.00 -0.01 0.00 0.00 57.16 57.48 3kci n GLU 4067Cb 0.13 -1.63 0.00 0.00 -1.01 0.00 0.00 31.44 28.92 3kci n GLU 4067CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3kci n ASP 4068N 1.57 -1.85 0.00 1.62 8.00 -1.26 -2.94 116.55 121.68 3kci n ASP 4068Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.63 3kci n ASP 4068Cb 0.28 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 39.91 3kci n ASP 4068CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kci n GLY 4069N -1.64 0.43 0.29 0.44 0.00 -0.85 -3.17 105.19 100.69 3kci n GLY 4069Ca 0.00 -0.74 0.19 0.00 0.00 0.00 0.00 46.02 45.47 3kci n GLY 4069CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kci h LYS 4070N 0.33 0.00 0.00 1.61 2.10 -1.67 -1.03 116.57 117.90 3kci h LYS 4070Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 3kci h LYS 4070Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 3kci h LYS 4070CO 0.00 0.00 -0.22 -0.07 -2.00 0.00 0.00 179.45 177.16 3kci h LEU 4071N 0.00 0.00 0.00 7.07 3.38 -1.83 -3.42 115.31 120.51 3kci h LEU 4071Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kci h LEU 4071Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3kci h LEU 4071CO 0.00 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.36 3kci n GLY 4072N 0.76 0.52 1.18 0.83 0.00 -0.39 -4.75 105.19 103.34 3kci n GLY 4072Ca 0.02 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.40 3kci n GLY 4072CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kci n HIS 4073N -2.80 0.79 -0.57 1.61 8.25 -1.11 -4.43 115.22 116.97 3kci n HIS 4073Ca 0.00 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.06 3kci n HIS 4073Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3kci n HIS 4073CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kci n GLY 4074N 1.53 0.71 1.34 -1.41 0.00 0.34 -4.99 105.19 102.70 3kci n GLY 4074Ca 0.21 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 3kci n GLY 4074CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kci n ASN 4075N 0.10 -0.76 -1.06 1.61 0.23 -1.26 -4.96 115.26 109.16 3kci n ASN 4075Ca 0.00 -1.61 -0.03 0.00 -0.53 0.00 0.00 54.58 52.41 3kci n ASN 4075Cb 0.00 1.29 0.18 0.00 -2.08 0.00 0.00 39.78 39.17 3kci n ASN 4075CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3kci n ARG 4076N -0.20 1.97 -3.35 -3.83 1.74 -1.26 -4.32 116.66 107.41 3kci n ARG 4076Ca -0.02 -3.37 -0.38 0.00 -0.77 0.00 0.00 57.85 53.30 3kci n ARG 4076Cb 0.22 -1.80 -0.07 0.00 -1.02 0.00 0.00 32.46 29.78 3kci n ARG 4076CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3kci s SER 4077N -2.97 6.48 0.52 0.55 0.15 -1.26 -4.56 113.70 112.60 3kci s SER 4077Ca 0.43 0.56 -0.21 0.00 0.70 0.00 0.00 55.95 57.43 3kci s SER 4077Cb 0.39 -2.25 -0.06 0.00 -1.71 0.00 0.00 66.02 62.40 3kci s SER 4077CO -0.03 -0.10 1.21 -2.84 1.20 0.00 0.00 173.24 172.69 3kci s PRO 4078N 1.35 3.41 -0.19 5.44 0.02 -1.26 -4.76 135.00 139.01 3kci s PRO 4078Ca 0.20 1.87 0.01 0.00 0.02 0.00 0.00 61.00 63.10 3kci s PRO 4078Cb -0.15 -2.23 0.04 0.00 0.02 0.00 0.00 34.50 32.18 3kci s PRO 4078CO 0.08 -0.86 -0.09 0.00 -0.33 0.00 0.00 177.00 175.80 3kci n ASP 4080N 4.73 0.97 -4.17 0.00 5.75 -1.26 -0.68 116.55 121.89 3kci n ASP 4080Ca -0.14 -1.05 -0.12 0.00 -0.01 0.00 0.00 54.79 53.46 3kci n ASP 4080Cb 0.47 0.02 -0.10 0.00 -1.03 0.00 0.00 41.12 40.48 3kci n ASP 4080CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3kci s ARG 4081N -2.26 0.84 0.27 0.11 0.52 -1.26 -2.99 118.95 114.19 3kci s ARG 4081Ca 0.33 -1.26 -0.30 0.00 -0.52 0.00 0.00 55.73 53.98 3kci s ARG 4081Cb 0.20 -0.34 -0.11 0.00 0.52 0.00 0.00 34.95 35.23 3kci s ARG 4081CO 0.43 0.02 1.49 -2.14 0.02 0.00 0.00 175.30 175.12 3kci s PRO 4082N -3.39 4.21 -0.04 3.54 0.02 -1.26 -4.66 135.00 133.42 3kci s PRO 4082Ca 0.09 2.41 0.02 0.00 0.02 0.00 0.00 61.00 63.54 3kci s PRO 4082Cb 0.02 -3.07 0.01 0.00 0.02 0.00 0.00 34.50 31.48 3kci s PRO 4082CO -0.03 -0.49 -0.08 0.50 -0.33 0.00 0.00 177.00 176.57 3kci s ARG 4083N -0.55 1.03 0.35 5.54 3.52 -0.29 -4.87 118.95 123.68 3kci s ARG 4083Ca 0.60 -0.26 -0.28 0.00 -0.13 0.00 0.00 55.73 55.66 3kci s ARG 4083Cb -0.44 -0.95 -0.10 0.00 -1.56 0.00 0.00 34.95 31.90 3kci s ARG 4083CO 0.46 0.04 1.33 0.54 -0.81 0.00 0.00 175.30 176.86 3kci s VAL 4084N 0.48 2.61 -0.59 7.11 0.11 -1.26 -1.38 120.40 127.49 3kci s VAL 4084Ca -0.08 0.60 -0.28 0.00 -2.93 0.00 0.00 61.98 59.30 3kci s VAL 4084Cb -0.12 -3.38 0.03 0.00 -1.53 0.00 0.00 36.38 31.39 3kci s VAL 4084CO 0.01 0.13 1.18 -0.63 -3.33 0.00 0.00 175.10 172.46 3kci s ILE 4085N -1.17 4.02 0.33 7.04 1.01 0.15 -4.90 121.20 127.68 3kci s ILE 4085Ca 0.51 0.82 0.04 0.00 0.00 0.00 0.00 60.65 62.02 3kci s ILE 4085Cb -0.40 -4.73 0.14 0.00 0.01 0.00 0.00 42.46 37.48 3kci s ILE 4085CO 0.53 -1.37 1.85 -0.33 0.00 0.00 0.00 174.94 175.63 3kci h GLU 4086N 9.56 0.51 0.00 2.79 4.39 -1.88 -2.86 114.58 127.09 3kci h GLU 4086Ca -0.25 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.33 3kci h GLU 4086Cb 1.06 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 3kci h GLU 4086CO 1.19 0.57 0.00 -1.13 -1.16 0.00 0.00 179.01 178.48 3kci n SER 4087N -4.26 0.38 -0.37 1.42 3.41 -1.26 -1.56 113.62 111.38 3kci n SER 4087Ca 0.01 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 3kci n SER 4087Cb 0.27 -0.66 0.28 0.00 -0.26 0.00 0.00 64.21 63.84 3kci n SER 4087CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kci n LEU 4088N -1.89 1.43 -4.76 1.04 4.77 -1.08 -4.95 117.00 111.56 3kci n LEU 4088Ca 0.04 -0.45 -0.41 0.00 -0.03 0.00 0.00 56.01 55.16 3kci n LEU 4088Cb 0.27 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 3kci n LEU 4088CO 0.22 0.26 1.04 -0.13 -1.33 0.00 0.00 177.39 177.45 3kci s ARG 4089N -2.41 4.31 0.00 3.23 0.52 -0.60 -1.90 118.95 122.10 3kci s ARG 4089Ca 0.25 2.25 0.00 0.00 -0.52 0.00 0.00 55.73 57.70 3kci s ARG 4089Cb 0.19 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.56 3kci s ARG 4089CO 0.50 -0.31 0.00 0.41 0.02 0.00 0.00 175.30 175.92 3kci n GLY 4090N 1.58 0.63 3.47 -3.53 0.00 -1.26 -5.05 105.19 101.03 3kci n GLY 4090Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3kci n GLY 4090CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kci s ILE 4091N -2.28 3.65 -0.68 -0.61 1.01 -0.80 -5.08 121.20 116.42 3kci s ILE 4091Ca 0.00 -0.45 -0.25 0.00 0.00 0.00 0.00 60.65 59.94 3kci s ILE 4091Cb 0.00 -2.57 0.04 0.00 0.01 0.00 0.00 42.46 39.94 3kci s ILE 4091CO 0.00 0.51 1.14 -0.70 0.00 0.00 0.00 174.94 175.89 3kci s GLU 4092N 0.23 3.21 0.02 2.79 2.12 -1.26 -4.72 118.70 121.09 3kci s GLU 4092Ca -0.04 -0.38 -0.22 0.00 0.36 0.00 0.00 54.97 54.69 3kci s GLU 4092Cb -0.14 -4.17 -0.05 0.00 0.26 0.00 0.00 34.13 30.03 3kci s GLU 4092CO 0.04 -1.94 0.66 0.08 -0.54 0.00 0.00 175.26 173.57 3kci s VAL 4093N 4.97 4.83 -0.04 3.70 1.01 -0.36 -0.60 120.40 133.92 3kci s VAL 4093Ca 0.31 1.40 0.01 0.00 0.00 0.00 0.00 61.98 63.70 3kci s VAL 4093Cb -0.11 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 3kci s VAL 4093CO 0.15 0.40 0.03 1.33 0.00 0.00 0.00 175.10 177.01 3kci n VAL 4094N 2.75 0.00 -3.63 2.92 0.24 0.71 -4.38 118.33 116.94 3kci n VAL 4094Ca -0.05 -0.46 -0.13 0.00 -2.04 0.00 0.00 64.34 61.66 3kci n VAL 4094Cb 0.51 0.98 -0.06 0.00 -1.47 0.00 0.00 33.84 33.80 3kci n VAL 4094CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kci s ASP 4095N -1.12 -0.32 0.01 -1.34 2.15 -1.07 -4.98 116.67 109.99 3kci s ASP 4095Ca 0.00 -0.02 -0.02 0.00 0.43 0.00 0.00 52.55 52.95 3kci s ASP 4095Cb 0.01 0.46 -0.01 0.00 -0.30 0.00 0.00 42.92 43.07 3kci s ASP 4095CO 0.03 -0.73 0.02 0.68 -0.17 0.00 0.00 175.17 175.00 3kci s VAL 4096N -2.79 0.08 -0.01 1.11 -7.23 -1.26 -0.87 120.40 109.43 3kci s VAL 4096Ca -0.03 -0.62 -0.11 0.00 -1.81 0.00 0.00 61.98 59.41 3kci s VAL 4096Cb -0.00 -0.24 0.01 0.00 0.56 0.00 0.00 36.38 36.71 3kci s VAL 4096CO -0.05 -0.34 0.22 0.00 -0.31 0.00 0.00 175.10 174.62 3kci s ALA 4097N -1.04 -0.54 0.01 1.32 0.00 -0.37 -4.75 121.76 116.40 3kci s ALA 4097Ca -0.11 0.10 0.03 0.00 0.00 0.00 0.00 51.96 51.98 3kci s ALA 4097Cb -0.07 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 3kci s ALA 4097CO -0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 175.76 175.43 3kci s ALA 4098N -1.29 0.80 0.31 0.00 0.00 -1.26 -1.13 121.76 119.18 3kci s ALA 4098Ca -0.14 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.36 3kci s ALA 4098Cb -0.06 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.92 3kci s ALA 4098CO 0.03 0.17 0.24 0.41 0.00 0.00 0.00 175.76 176.61 3kci n GLY 4099N 2.57 2.83 0.36 0.00 0.00 0.90 -3.40 105.19 108.45 3kci n GLY 4099Ca -0.15 -2.24 -0.02 0.00 0.00 0.00 0.00 46.02 43.61 3kci n GLY 4099CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kci h GLY 4100N 0.36 1.34 -0.20 -0.02 0.00 -1.39 -3.36 103.07 99.80 3kci h GLY 4100Ca -0.19 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.65 3kci h GLY 4100CO 0.30 0.47 -0.10 0.00 0.00 0.00 0.00 176.54 177.21 3kci n ALA 4101N -2.36 1.33 -2.87 3.60 0.00 -1.26 -4.63 120.51 114.31 3kci n ALA 4101Ca 0.11 -0.71 -0.13 0.00 0.00 0.00 0.00 53.44 52.72 3kci n ALA 4101Cb 0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 19.45 19.32 3kci n ALA 4101CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3kci s HIS 4102N -0.17 0.91 0.06 0.00 0.00 -1.26 -1.06 115.29 113.78 3kci s HIS 4102Ca 0.01 -1.17 -0.09 0.00 -3.00 0.00 0.00 55.06 50.81 3kci s HIS 4102Cb 0.01 -0.08 0.00 0.00 -4.00 0.00 0.00 32.58 28.50 3kci s HIS 4102CO 0.00 -1.04 0.19 -1.12 -1.00 0.00 0.00 174.74 171.77 3kci s SER 4103N -3.18 0.09 0.09 7.38 0.01 0.03 -0.07 113.70 118.04 3kci s SER 4103Ca 0.30 -0.52 -0.16 0.00 1.31 0.00 0.00 55.95 56.88 3kci s SER 4103Cb 0.00 0.31 0.03 0.00 0.21 0.00 0.00 66.02 66.58 3kci s SER 4103CO 0.17 -0.64 0.39 0.00 0.41 0.00 0.00 173.24 173.57 3kci s ALA 4104N -3.20 -0.92 0.13 1.44 0.00 -0.28 -1.32 121.76 117.60 3kci s ALA 4104Ca -0.00 0.07 -0.12 0.00 0.00 0.00 0.00 51.96 51.91 3kci s ALA 4104Cb 0.02 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.68 3kci s ALA 4104CO -0.07 -0.55 0.31 0.00 0.00 0.00 0.00 175.76 175.45 3kci s VAL 4106N -3.87 1.81 0.49 0.00 1.01 -0.05 -0.78 120.40 119.01 3kci s VAL 4106Ca 0.07 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.13 3kci s VAL 4106Cb 0.03 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.92 3kci s VAL 4106CO -0.08 0.51 0.67 0.42 0.00 0.00 0.00 175.10 176.62 3kci s THR 4107N -0.47 2.85 0.53 3.92 -4.23 -0.23 -0.21 115.64 117.81 3kci s THR 4107Ca 0.07 -0.82 0.25 0.00 -1.18 0.00 0.00 61.69 60.00 3kci s THR 4107Cb -0.09 -3.01 0.38 0.00 1.34 0.00 0.00 72.50 71.12 3kci s THR 4107CO -0.00 -0.00 2.01 0.00 -0.54 0.00 0.00 174.62 176.08 3kci h ALA 4108N 0.35 2.42 -0.00 3.99 0.00 -1.18 -1.00 119.26 123.84 3kci h ALA 4108Ca -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3kci h ALA 4108Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3kci h ALA 4108CO 0.49 -0.58 -0.09 0.00 0.00 0.00 0.00 179.25 179.06 3kci n ALA 4109N -2.61 2.60 -0.40 0.00 0.00 -1.26 -4.93 120.51 113.91 3kci n ALA 4109Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3kci n ALA 4109Cb 0.55 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3kci n ALA 4109CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kci n GLY 4110N 1.43 0.79 3.82 0.00 0.00 -0.38 -4.85 105.19 106.01 3kci n GLY 4110Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3kci n GLY 4110CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kci s ASP 4111N -2.08 6.53 -0.08 1.61 1.01 -1.26 -1.45 116.67 120.96 3kci s ASP 4111Ca 0.00 1.73 0.03 0.00 0.71 0.00 0.00 52.55 55.03 3kci s ASP 4111Cb 0.00 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 3kci s ASP 4111CO 0.00 -0.65 -0.18 -0.22 0.21 0.00 0.00 175.17 174.33 3kci s LEU 4112N -3.71 2.48 0.04 1.23 2.96 -1.26 -1.06 118.68 119.36 3kci s LEU 4112Ca 0.63 -0.35 0.07 0.00 -0.22 0.00 0.00 54.13 54.25 3kci s LEU 4112Cb -0.12 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 3kci s LEU 4112CO 0.24 0.25 -0.19 -0.31 -1.32 0.00 0.00 176.35 175.02 3kci s TYR 4113N -0.20 2.54 0.09 5.38 2.02 0.04 -0.29 117.35 126.94 3kci s TYR 4113Ca -0.01 -0.27 0.03 0.00 -0.37 0.00 0.00 57.07 56.45 3kci s TYR 4113Cb -0.13 -1.45 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 3kci s TYR 4113CO 0.03 0.25 -0.08 0.95 -1.57 0.00 0.00 175.55 175.14 3kci s THR 4114N -0.93 0.74 0.21 -0.71 -4.23 -0.58 -1.03 115.64 109.11 3kci s THR 4114Ca 0.15 -1.64 -0.22 0.00 -1.18 0.00 0.00 61.69 58.79 3kci s THR 4114Cb -0.10 -1.33 0.05 0.00 1.34 0.00 0.00 72.50 72.45 3kci s THR 4114CO 0.05 -0.66 0.68 -1.66 -0.54 0.00 0.00 174.62 172.49 3kci s TRP 4115N -2.72 -0.35 0.00 3.99 -2.14 -0.44 -1.41 118.94 115.87 3kci s TRP 4115Ca 0.05 0.03 0.00 0.00 2.66 0.00 0.00 56.10 58.83 3kci s TRP 4115Cb -0.01 0.63 0.00 0.00 -3.10 0.00 0.00 33.47 30.99 3kci s TRP 4115CO -0.02 -1.02 0.00 0.41 -2.66 0.00 0.00 176.95 173.66 3kci n GLY 4116N -0.42 0.31 3.70 3.67 0.00 0.56 -0.79 105.19 112.22 3kci n GLY 4116Ca -0.10 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 3kci n GLY 4116CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kci s LYS 4117N 0.00 4.28 0.09 1.61 2.20 -0.23 -1.38 119.74 126.31 3kci s LYS 4117Ca 0.00 2.10 0.23 0.00 -0.36 0.00 0.00 55.97 57.94 3kci s LYS 4117Cb 0.00 -3.41 -0.00 0.00 -1.51 0.00 0.00 37.83 32.91 3kci s LYS 4117CO 0.00 -0.54 0.97 0.41 -0.36 0.00 0.00 175.35 175.83 3kci n GLY 4118N 3.64 -1.27 3.67 5.54 0.00 -1.26 -4.50 105.19 111.02 3kci n GLY 4118Ca 0.13 -0.36 -0.45 0.00 0.00 0.00 0.00 46.02 45.34 3kci n GLY 4118CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kci n ARG 4119N -2.23 2.05 -1.03 1.61 0.63 -1.20 -1.78 116.66 114.71 3kci n ARG 4119Ca 0.01 0.73 -0.01 0.00 -0.92 0.00 0.00 57.85 57.66 3kci n ARG 4119Cb 0.49 -2.41 -0.00 0.00 0.45 0.00 0.00 32.46 30.98 3kci n ARG 4119CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3kci n TYR 4120N 2.22 0.00 -0.46 -0.14 4.01 -1.26 -4.07 117.16 117.47 3kci n TYR 4120Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 3kci n TYR 4120Cb 0.31 -0.87 0.00 0.00 -0.31 0.00 0.00 39.34 38.47 3kci n TYR 4120CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kci n GLY 4121N -1.54 0.75 0.31 2.72 0.00 -0.73 -2.58 105.19 104.12 3kci n GLY 4121Ca -0.01 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.18 3kci n GLY 4121CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kci h ARG 4122N 3.43 0.00 0.00 1.61 0.11 -1.72 -1.64 114.38 116.17 3kci h ARG 4122Ca 0.00 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.96 3kci h ARG 4122Cb 0.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 3kci h ARG 4122CO 0.00 0.00 -0.55 -0.07 0.10 0.00 0.00 179.97 179.45 3kci h LEU 4123N 0.00 0.00 0.00 0.08 3.38 -1.83 -3.42 115.31 113.52 3kci h LEU 4123Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kci h LEU 4123Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3kci h LEU 4123CO -0.00 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.69 3kci n GLY 4124N 0.88 0.49 1.83 0.83 0.00 -0.62 -4.74 105.19 103.86 3kci n GLY 4124Ca 0.01 -0.91 0.07 0.00 0.00 0.00 0.00 46.02 45.19 3kci n GLY 4124CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kci n HIS 4125N -3.13 1.99 -1.48 1.61 8.25 -1.04 -4.39 115.22 117.02 3kci n HIS 4125Ca 0.00 -0.73 -0.12 0.00 -0.26 0.00 0.00 57.72 56.61 3kci n HIS 4125Cb 0.14 -0.48 -0.04 0.00 1.12 0.00 0.00 29.99 30.72 3kci n HIS 4125CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3kci n SER 4126N 0.61 -4.34 -1.94 0.41 7.64 0.74 -4.97 113.62 111.78 3kci n SER 4126Ca 0.27 0.25 -0.06 0.00 1.01 0.00 0.00 58.87 60.34 3kci n SER 4126Cb 1.16 -2.98 -0.00 0.00 -1.01 0.00 0.00 64.21 61.38 3kci n SER 4126CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3kci n ASP 4127N 0.03 -0.90 -0.86 6.43 5.68 -1.26 -5.00 116.55 120.67 3kci n ASP 4127Ca -0.12 -1.87 0.08 0.00 -0.50 0.00 0.00 54.79 52.38 3kci n ASP 4127Cb 0.42 1.56 0.24 0.00 -1.14 0.00 0.00 41.12 42.21 3kci n ASP 4127CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3kci n SER 4128N -1.58 3.74 -4.75 -1.12 7.64 -1.26 -4.48 113.62 111.80 3kci n SER 4128Ca -0.02 -2.82 -0.40 0.00 1.01 0.00 0.00 58.87 56.64 3kci n SER 4128Cb 0.29 -0.49 -0.05 0.00 -1.01 0.00 0.00 64.21 62.96 3kci n SER 4128CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3kci s GLU 4129N -2.47 4.73 0.65 1.43 0.41 -1.26 -3.26 118.70 118.93 3kci s GLU 4129Ca 0.39 1.65 -0.18 0.00 -0.41 0.00 0.00 54.97 56.42 3kci s GLU 4129Cb 0.30 -3.24 -0.01 0.00 -1.78 0.00 0.00 34.13 29.40 3kci s GLU 4129CO 0.10 0.33 1.26 -0.51 -0.49 0.00 0.00 175.26 175.95 3kci s ASP 4130N -0.90 4.69 -0.17 -0.19 1.01 -1.26 -4.02 116.67 115.84 3kci s ASP 4130Ca 0.44 2.52 0.00 0.00 0.71 0.00 0.00 52.55 56.22 3kci s ASP 4130Cb -0.29 -2.61 0.04 0.00 1.01 0.00 0.00 42.92 41.07 3kci s ASP 4130CO 0.36 -1.94 -0.09 -1.10 0.21 0.00 0.00 175.17 172.61 3kci s GLN 4131N -3.45 1.86 0.00 8.23 -1.52 -0.48 -4.89 119.66 119.41 3kci s GLN 4131Ca 0.80 -0.63 0.28 0.00 -1.95 0.00 0.00 55.36 53.86 3kci s GLN 4131Cb -0.34 -2.15 1.06 0.00 -0.22 0.00 0.00 33.01 31.36 3kci s GLN 4131CO 0.39 -0.37 1.78 1.28 -0.25 0.00 0.00 175.29 178.12 3kci n LEU 4132N 4.79 0.23 -4.13 2.90 4.77 -1.26 -0.32 117.00 123.97 3kci n LEU 4132Ca -0.14 0.25 -0.13 0.00 -0.03 0.00 0.00 56.01 55.96 3kci n LEU 4132Cb 0.48 -0.36 -0.11 0.00 -2.33 0.00 0.00 43.42 41.11 3kci n LEU 4132CO 0.19 0.05 -0.41 -0.54 -1.33 0.00 0.00 177.39 175.35 3kci s LYS 4133N -2.87 0.72 0.28 3.23 1.02 -1.26 -0.51 119.74 120.35 3kci s LYS 4133Ca 0.17 -1.04 -0.29 0.00 0.02 0.00 0.00 55.97 54.83 3kci s LYS 4133Cb 0.19 -0.38 -0.14 0.00 -0.52 0.00 0.00 37.83 36.98 3kci s LYS 4133CO 0.56 0.05 1.13 -2.30 -0.92 0.00 0.00 175.35 173.88 3kci n PRO 4134N 0.79 1.56 -4.32 -1.68 -0.02 -1.26 -4.75 135.00 125.31 3kci n PRO 4134Ca -0.18 0.55 -0.21 0.00 -2.02 0.00 0.00 63.50 61.64 3kci n PRO 4134Cb 0.57 -2.01 -0.16 0.00 -0.02 0.00 0.00 33.50 31.88 3kci n PRO 4134CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3kci s LYS 4135N -1.30 1.04 0.19 -0.52 2.20 -0.50 -4.93 119.74 115.92 3kci s LYS 4135Ca 0.61 -0.23 -0.32 0.00 -0.36 0.00 0.00 55.97 55.68 3kci s LYS 4135Cb -0.69 -0.96 -0.11 0.00 -1.51 0.00 0.00 37.83 34.56 3kci s LYS 4135CO 0.58 0.00 1.69 -1.17 -0.36 0.00 0.00 175.35 176.09 3kci s LEU 4136N 0.63 4.37 -0.91 5.43 2.96 -1.26 -1.53 118.68 128.37 3kci s LEU 4136Ca -0.10 2.79 -0.24 0.00 -0.22 0.00 0.00 54.13 56.36 3kci s LEU 4136Cb -0.13 -3.60 0.05 0.00 0.50 0.00 0.00 46.19 43.01 3kci s LEU 4136CO 0.01 -0.93 1.37 -0.69 -1.32 0.00 0.00 176.35 174.78 3kci s VAL 4137N 1.28 3.87 0.41 1.68 1.01 0.60 -4.87 120.40 124.39 3kci s VAL 4137Ca 0.74 -0.33 0.12 0.00 0.00 0.00 0.00 61.98 62.51 3kci s VAL 4137Cb -0.48 -4.99 0.15 0.00 0.00 0.00 0.00 36.38 31.06 3kci s VAL 4137CO 0.32 -1.89 1.92 -0.33 0.00 0.00 0.00 175.10 175.12 3kci h GLU 4138N 9.86 0.08 0.00 2.72 5.08 -1.87 -2.45 114.58 127.99 3kci h GLU 4138Ca 0.01 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3kci h GLU 4138Cb 1.03 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 3kci h GLU 4138CO 1.36 0.30 -0.02 0.00 -1.00 0.00 0.00 179.01 179.65 3kci h ALA 4139N 1.71 1.02 -0.01 3.43 0.00 -1.89 -1.77 119.26 121.75 3kci h ALA 4139Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kci h ALA 4139Cb 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kci h ALA 4139CO 0.03 0.03 -0.40 1.28 0.00 0.00 0.00 179.25 180.19 3kci n LEU 4140N -3.15 1.23 -4.72 0.00 4.77 -0.92 -4.95 117.00 109.25 3kci n LEU 4140Ca -0.00 -0.38 -0.41 0.00 -0.03 0.00 0.00 56.01 55.18 3kci n LEU 4140Cb 0.25 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3kci n LEU 4140CO 0.26 0.24 0.97 0.00 -1.33 0.00 0.00 177.39 177.53 3kci n GLN 4141N -0.65 2.21 0.00 3.23 6.02 -0.67 -1.12 117.38 126.40 3kci n GLN 4141Ca 0.10 0.78 0.00 0.00 -0.01 0.00 0.00 57.00 57.87 3kci n GLN 4141Cb 0.38 -2.46 0.00 0.00 1.02 0.00 0.00 30.24 29.18 3kci n GLN 4141CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kci n GLY 4142N 0.68 1.31 3.31 1.08 0.00 -1.26 -5.03 105.19 105.28 3kci n GLY 4142Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3kci n GLY 4142CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kci s HIS 4143N -2.38 2.59 -0.30 1.61 3.76 -0.28 -5.10 115.29 115.20 3kci s HIS 4143Ca 0.00 -0.72 -0.21 0.00 -0.15 0.00 0.00 55.06 53.98 3kci s HIS 4143Cb 0.00 -1.69 -0.01 0.00 1.11 0.00 0.00 32.58 31.99 3kci s HIS 4143CO 0.00 -0.22 0.69 0.50 -0.85 0.00 0.00 174.74 174.86 3kci s ARG 4144N 0.02 3.96 0.10 1.40 3.52 -1.26 -4.74 118.95 121.94 3kci s ARG 4144Ca -0.07 0.45 -0.30 0.00 -0.13 0.00 0.00 55.73 55.67 3kci s ARG 4144Cb -0.15 -3.71 -0.06 0.00 -1.56 0.00 0.00 34.95 29.47 3kci s ARG 4144CO 0.05 -0.58 1.02 0.08 -0.81 0.00 0.00 175.30 175.06 3kci s VAL 4145N 2.71 4.37 0.00 7.11 1.01 -0.53 -1.17 120.40 133.90 3kci s VAL 4145Ca 0.28 1.90 0.00 0.00 0.00 0.00 0.00 61.98 64.16 3kci s VAL 4145Cb -0.15 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.02 3kci s VAL 4145CO 0.11 0.26 0.00 1.33 0.00 0.00 0.00 175.10 176.80 3kci n VAL 4146N 3.03 0.00 -3.63 2.92 0.24 0.30 -4.70 118.33 116.49 3kci n VAL 4146Ca 0.04 -0.30 -0.16 0.00 -2.04 0.00 0.00 64.34 61.88 3kci n VAL 4146Cb 0.48 0.83 -0.07 0.00 -1.47 0.00 0.00 33.84 33.61 3kci n VAL 4146CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kci s ASP 4147N -1.10 -0.46 -0.12 -1.34 2.15 -1.10 -4.98 116.67 109.71 3kci s ASP 4147Ca 0.00 0.47 -0.11 0.00 0.43 0.00 0.00 52.55 53.34 3kci s ASP 4147Cb 0.00 0.46 0.03 0.00 -0.30 0.00 0.00 42.92 43.12 3kci s ASP 4147CO 0.00 -0.53 0.32 -0.51 -0.17 0.00 0.00 175.17 174.28 3kci s ILE 4148N -1.21 -0.00 -0.01 4.11 1.10 -1.26 -1.26 121.20 122.67 3kci s ILE 4148Ca -0.12 0.01 -0.05 0.00 -0.51 0.00 0.00 60.65 59.98 3kci s ILE 4148Cb -0.02 -0.46 0.00 0.00 0.15 0.00 0.00 42.46 42.13 3kci s ILE 4148CO 0.07 0.01 0.11 0.00 -2.11 0.00 0.00 174.94 173.02 3kci s ALA 4149N 0.30 -0.26 0.03 1.50 0.00 -0.22 -4.80 121.76 118.31 3kci s ALA 4149Ca -0.01 -0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.00 3kci s ALA 4149Cb -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 3kci s ALA 4149CO -0.01 -0.15 -0.19 0.00 0.00 0.00 0.00 175.76 175.42 3kci n GLY 4151N 2.07 1.78 3.66 0.00 0.00 0.31 -4.38 105.19 108.63 3kci n GLY 4151Ca -0.17 -2.13 -0.30 0.00 0.00 0.00 0.00 46.02 43.43 3kci n GLY 4151CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kci s SER 4152N -1.80 3.60 0.92 1.61 1.04 -1.26 -1.10 113.70 116.71 3kci s SER 4152Ca 0.14 -1.63 0.00 0.00 0.48 0.00 0.00 55.95 54.94 3kci s SER 4152Cb -0.01 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3kci s SER 4152CO 0.09 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.08 3kci n GLY 4153N -1.10 2.05 3.56 7.32 0.00 -1.26 -3.40 105.19 112.36 3kci n GLY 4153Ca -0.13 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 3kci n GLY 4153CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kci s ASP 4154N -4.00 5.68 0.11 1.61 1.01 -1.26 -4.87 116.67 114.95 3kci s ASP 4154Ca 0.00 0.31 0.02 0.00 0.71 0.00 0.00 52.55 53.59 3kci s ASP 4154Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 3kci s ASP 4154CO 0.00 -2.06 0.19 0.00 0.21 0.00 0.00 175.17 173.51 3kci s ALA 4155N 7.59 3.83 0.46 5.23 0.00 -1.22 -4.69 121.76 132.97 3kci s ALA 4155Ca 0.60 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.62 3kci s ALA 4155Cb -0.12 -1.66 0.02 0.00 0.00 0.00 0.00 23.12 21.36 3kci s ALA 4155CO 0.22 0.68 0.64 1.14 0.00 0.00 0.00 175.76 178.44 3kci s GLN 4156N -2.79 2.74 0.01 0.00 0.00 -1.26 -0.84 119.66 117.51 3kci s GLN 4156Ca 0.33 -1.07 0.02 0.00 -0.00 0.00 0.00 55.36 54.64 3kci s GLN 4156Cb -0.12 -2.66 -0.01 0.00 0.00 0.00 0.00 33.01 30.22 3kci s GLN 4156CO 0.26 -0.42 -0.07 0.99 0.00 0.00 0.00 175.29 176.05 3kci s THR 4157N -2.49 0.54 0.07 3.63 2.01 -0.09 -0.53 115.64 118.78 3kci s THR 4157Ca 0.56 -0.49 0.07 0.00 0.31 0.00 0.00 61.69 62.13 3kci s THR 4157Cb -0.10 -0.49 -0.03 0.00 0.01 0.00 0.00 72.50 71.89 3kci s THR 4157CO 0.35 0.01 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.34 3kci s LEU 4158N -0.53 2.24 0.17 4.42 1.43 -0.08 -1.48 118.68 124.85 3kci s LEU 4158Ca -0.00 -0.59 -0.08 0.00 -1.03 0.00 0.00 54.13 52.42 3kci s LEU 4158Cb -0.04 -0.82 -0.01 0.00 0.03 0.00 0.00 46.19 45.34 3kci s LEU 4158CO 0.00 0.07 0.28 0.00 0.23 0.00 0.00 176.35 176.93 3kci s LEU 4160N -2.98 2.04 0.34 0.00 2.96 -0.39 0.11 118.68 120.77 3kci s LEU 4160Ca 0.19 -0.52 0.08 0.00 -0.22 0.00 0.00 54.13 53.65 3kci s LEU 4160Cb 0.03 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.36 3kci s LEU 4160CO 0.01 0.17 0.29 0.42 -1.32 0.00 0.00 176.35 175.92 3kci s THR 4161N 0.24 3.40 -2.03 3.68 -4.23 -0.36 -0.54 115.64 115.80 3kci s THR 4161Ca -0.15 -1.39 0.28 0.00 -1.18 0.00 0.00 61.69 59.25 3kci s THR 4161Cb -0.17 -3.15 0.78 0.00 1.34 0.00 0.00 72.50 71.30 3kci s THR 4161CO 0.07 -0.16 2.05 -0.90 -0.54 0.00 0.00 174.62 175.14 3kci n ASP 4162N -1.37 0.09 -2.04 3.99 5.75 -0.32 -2.68 116.55 119.97 3kci n ASP 4162Ca -0.01 -1.15 -0.22 0.00 -0.01 0.00 0.00 54.79 53.39 3kci n ASP 4162Cb 0.60 -0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.80 3kci n ASP 4162CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3kci n ASP 4163N -0.87 4.91 -3.60 -1.12 5.68 -1.26 -4.90 116.55 115.39 3kci n ASP 4163Ca 0.21 -3.35 -0.25 0.00 -0.50 0.00 0.00 54.79 50.89 3kci n ASP 4163Cb 0.11 -0.86 0.06 0.00 -1.14 0.00 0.00 41.12 39.29 3kci n ASP 4163CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3kci n ASP 4164N -0.66 -5.99 -4.07 -1.12 2.03 -1.09 -4.83 116.55 100.82 3kci n ASP 4164Ca 0.48 -0.56 -0.23 0.00 0.52 0.00 0.00 54.79 55.01 3kci n ASP 4164Cb 1.14 -4.74 -0.16 0.00 -0.72 0.00 0.00 41.12 36.64 3kci n ASP 4164CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3kci s THR 4165N -3.29 1.07 -0.10 5.18 2.01 -1.23 -2.47 115.64 116.81 3kci s THR 4165Ca 0.57 -0.53 -0.03 0.00 0.31 0.00 0.00 61.69 62.01 3kci s THR 4165Cb -0.26 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 3kci s THR 4165CO 0.70 0.32 0.03 -0.69 -0.69 0.00 0.00 174.62 174.29 3kci s VAL 4166N 0.06 4.53 0.15 3.82 1.01 -1.26 -1.23 120.40 127.48 3kci s VAL 4166Ca -0.02 -0.16 0.11 0.00 0.00 0.00 0.00 61.98 61.91 3kci s VAL 4166Cb -0.09 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3kci s VAL 4166CO 0.01 0.59 -0.24 0.26 0.00 0.00 0.00 175.10 175.72 3kci s TRP 4167N -0.74 2.35 0.01 5.22 0.52 0.12 -0.68 118.94 125.73 3kci s TRP 4167Ca 0.12 -0.35 -0.06 0.00 0.02 0.00 0.00 56.10 55.83 3kci s TRP 4167Cb -0.12 -1.23 -0.00 0.00 -1.15 0.00 0.00 33.47 30.97 3kci s TRP 4167CO 0.02 0.40 0.10 -1.54 0.02 0.00 0.00 176.95 175.96 3kci s SER 4168N -2.27 0.07 0.27 2.95 1.04 -0.04 -1.15 113.70 114.57 3kci s SER 4168Ca 0.17 -0.27 -0.18 0.00 0.48 0.00 0.00 55.95 56.15 3kci s SER 4168Cb -0.09 0.18 0.01 0.00 0.10 0.00 0.00 66.02 66.22 3kci s SER 4168CO 0.08 -0.36 0.65 -1.66 0.98 0.00 0.00 173.24 172.93 3kci s TRP 4169N -1.41 -0.01 0.00 5.02 -2.14 -0.55 -2.08 118.94 117.77 3kci s TRP 4169Ca -0.15 -0.42 0.00 0.00 2.66 0.00 0.00 56.10 58.19 3kci s TRP 4169Cb -0.08 0.55 0.00 0.00 -3.10 0.00 0.00 33.47 30.84 3kci s TRP 4169CO 0.01 -1.17 0.00 0.41 -2.66 0.00 0.00 176.95 173.54 3kci n GLY 4170N -0.44 0.51 3.73 3.67 0.00 0.02 -0.91 105.19 111.77 3kci n GLY 4170Ca -0.03 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 3kci n GLY 4170CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kci s ASP 4171N -4.00 7.01 0.00 1.61 2.15 -0.02 -1.59 116.67 121.83 3kci s ASP 4171Ca 0.00 2.24 0.25 0.00 0.43 0.00 0.00 52.55 55.46 3kci s ASP 4171Cb 0.00 -2.60 0.47 0.00 -0.30 0.00 0.00 42.92 40.49 3kci s ASP 4171CO 0.00 -0.46 1.38 0.61 -0.17 0.00 0.00 175.17 176.54 3kci n GLY 4172N 2.60 -0.96 3.63 2.66 0.00 -1.26 -4.40 105.19 107.44 3kci n GLY 4172Ca 0.06 -0.41 -0.44 0.00 0.00 0.00 0.00 46.02 45.24 3kci n GLY 4172CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kci n ASP 4173N -1.17 1.77 -0.05 1.61 8.00 -1.23 -1.89 116.55 123.59 3kci n ASP 4173Ca 0.08 1.18 -0.01 0.00 0.71 0.00 0.00 54.79 56.75 3kci n ASP 4173Cb 0.35 -1.35 -0.00 0.00 -0.02 0.00 0.00 41.12 40.09 3kci n ASP 4173CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3kci n TYR 4174N 0.23 0.00 -1.00 1.24 4.01 -1.26 -3.26 117.16 117.12 3kci n TYR 4174Ca 0.08 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.82 3kci n TYR 4174Cb 0.34 -1.25 -0.00 0.00 -0.31 0.00 0.00 39.34 38.12 3kci n TYR 4174CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kci n GLY 4175N -0.66 0.47 0.00 2.72 0.00 -0.79 -3.74 105.19 103.19 3kci n GLY 4175Ca -0.01 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.87 3kci n GLY 4175CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kci n LYS 4176N -2.93 0.02 0.19 1.61 2.85 -1.20 -0.82 118.16 117.89 3kci n LYS 4176Ca -0.00 0.21 0.13 0.00 -1.05 0.00 0.00 58.31 57.60 3kci n LYS 4176Cb 0.01 -1.50 0.28 0.00 -0.65 0.00 0.00 35.03 33.17 3kci n LYS 4176CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 3kci h LEU 4177N 0.00 0.00 0.00 -5.58 3.38 -1.81 -3.43 115.31 107.87 3kci h LEU 4177Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kci h LEU 4177Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3kci h LEU 4177CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3kci n GLY 4178N 1.03 0.44 0.78 0.83 0.00 0.00 -4.76 105.19 103.50 3kci n GLY 4178Ca 0.04 -0.88 0.03 0.00 0.00 0.00 0.00 46.02 45.21 3kci n GLY 4178CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kci n ARG 4179N -2.93 1.83 -0.01 1.61 1.74 -1.12 -4.34 116.66 113.45 3kci n ARG 4179Ca 0.00 -3.07 0.00 0.00 -0.77 0.00 0.00 57.85 54.01 3kci n ARG 4179Cb 0.00 -1.71 -0.00 0.00 -1.02 0.00 0.00 32.46 29.73 3kci n ARG 4179CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kci n GLY 4180N -1.09 -2.56 7.00 -0.13 0.00 0.15 -4.98 105.19 103.58 3kci n GLY 4180Ca 0.25 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.81 3kci n GLY 4180CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kci n GLY 4181N -2.06 1.43 0.01 -0.02 0.00 -1.26 -4.54 105.19 98.76 3kci n GLY 4181Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3kci n GLY 4181CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kci n SER 4182N -2.25 0.00 -4.74 1.61 7.64 -1.26 -3.35 113.62 111.27 3kci n SER 4182Ca 0.00 -1.02 -0.41 0.00 1.01 0.00 0.00 58.87 58.45 3kci n SER 4182Cb 0.00 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 3kci n SER 4182CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3kci s ASP 4183N -0.02 6.85 0.85 6.43 1.01 -1.26 -3.57 116.67 126.95 3kci s ASP 4183Ca 0.00 2.48 -0.12 0.00 0.71 0.00 0.00 52.55 55.62 3kci s ASP 4183Cb 0.00 -2.62 0.12 0.00 1.01 0.00 0.00 42.92 41.43 3kci s ASP 4183CO 0.00 -0.55 1.21 -0.83 0.21 0.00 0.00 175.17 175.20 3kci s GLY 4184N 0.22 1.67 0.16 0.21 0.00 -1.26 -4.16 107.32 104.15 3kci s GLY 4184Ca 0.56 -0.89 -0.10 0.00 0.00 0.00 0.00 44.72 44.29 3kci s GLY 4184CO 0.41 -0.31 0.29 0.00 0.00 0.00 0.00 173.10 173.49 3kci n LYS 4186N -0.21 2.76 -3.93 0.00 5.02 -1.26 -0.80 118.16 119.74 3kci n LYS 4186Ca -0.08 -1.70 -0.10 0.00 -2.02 0.00 0.00 58.31 54.40 3kci n LYS 4186Cb 0.63 -1.12 -0.12 0.00 -0.02 0.00 0.00 35.03 34.39 3kci n LYS 4186CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kci s VAL 4187N -0.97 0.06 0.18 -0.18 0.11 -1.26 -0.18 120.40 118.16 3kci s VAL 4187Ca 0.10 -0.51 -0.33 0.00 -2.93 0.00 0.00 61.98 58.31 3kci s VAL 4187Cb 0.06 -0.17 -0.14 0.00 -1.53 0.00 0.00 36.38 34.59 3kci s VAL 4187CO 0.07 -0.28 1.40 -2.65 -3.33 0.00 0.00 175.10 170.32 3kci n PRO 4188N 2.21 1.77 -4.40 1.54 -0.02 -1.26 -4.70 135.00 130.15 3kci n PRO 4188Ca -0.19 0.64 -0.23 0.00 -2.02 0.00 0.00 63.50 61.70 3kci n PRO 4188Cb 0.57 -2.30 -0.13 0.00 -0.02 0.00 0.00 33.50 31.62 3kci n PRO 4188CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3kci s MET 4189N 0.13 1.11 0.41 -0.52 -1.94 -0.88 -4.97 119.30 112.65 3kci s MET 4189Ca 0.75 -0.96 -0.24 0.00 -1.71 0.00 0.00 55.69 53.53 3kci s MET 4189Cb -0.74 -1.23 -0.09 0.00 2.01 0.00 0.00 34.83 34.78 3kci s MET 4189CO 0.46 0.30 1.06 0.15 -0.01 0.00 0.00 175.02 176.98 3kci s LYS 4190N -1.46 4.10 -0.78 2.03 1.02 -1.26 -0.86 119.74 122.53 3kci s LYS 4190Ca 0.04 1.53 -0.16 0.00 0.02 0.00 0.00 55.97 57.40 3kci s LYS 4190Cb -0.09 -2.50 0.18 0.00 -0.52 0.00 0.00 37.83 34.90 3kci s LYS 4190CO 0.02 -0.20 0.78 0.42 -0.92 0.00 0.00 175.35 175.46 3kci s ILE 4191N -1.67 5.34 0.53 2.17 1.01 0.14 -4.83 121.20 123.89 3kci s ILE 4191Ca 0.59 -2.05 0.18 0.00 0.00 0.00 0.00 60.65 59.36 3kci s ILE 4191Cb -0.22 -4.50 0.28 0.00 0.01 0.00 0.00 42.46 38.03 3kci s ILE 4191CO 0.28 -1.09 2.16 0.44 0.00 0.00 0.00 174.94 176.72 3kci h ASP 4192N 8.24 0.00 0.64 3.58 3.32 -1.92 -1.34 116.42 128.93 3kci h ASP 4192Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3kci h ASP 4192Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3kci h ASP 4192CO 0.88 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.86 3kci n SER 4193N -4.46 0.43 -0.42 6.45 3.41 -1.26 -1.73 113.62 116.04 3kci n SER 4193Ca -0.03 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 3kci n SER 4193Cb 0.11 -0.70 0.11 0.00 -0.26 0.00 0.00 64.21 63.47 3kci n SER 4193CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kci n LEU 4194N -1.98 1.72 -4.75 1.04 4.77 -0.51 -4.94 117.00 112.36 3kci n LEU 4194Ca 0.03 -0.61 -0.41 0.00 -0.03 0.00 0.00 56.01 54.99 3kci n LEU 4194Cb 0.20 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 3kci n LEU 4194CO 0.17 0.32 1.07 -0.89 -1.33 0.00 0.00 177.39 176.73 3kci s THR 4195N -2.48 2.76 0.00 -5.08 2.01 -0.70 -2.65 115.64 109.49 3kci s THR 4195Ca 0.20 0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.86 3kci s THR 4195Cb 0.18 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 69.28 3kci s THR 4195CO 0.56 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 175.21 3kci n GLY 4196N 2.03 0.82 0.36 4.40 0.00 -1.03 -4.90 105.19 106.87 3kci n GLY 4196Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 3kci n GLY 4196CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kci n LEU 4197N 0.00 1.44 -1.77 0.99 4.77 -1.09 -4.96 117.00 116.38 3kci n LEU 4197Ca 0.00 -0.46 -0.11 0.00 -0.03 0.00 0.00 56.01 55.41 3kci n LEU 4197Cb 0.00 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.05 3kci n LEU 4197CO 0.00 0.27 0.05 0.61 -1.33 0.00 0.00 177.39 176.98 3kci n GLY 4198N 1.36 0.14 3.68 -0.72 0.00 -1.26 -4.62 105.19 103.77 3kci n GLY 4198Ca 0.12 -0.29 -0.44 0.00 0.00 0.00 0.00 46.02 45.40 3kci n GLY 4198CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kci n VAL 4199N -3.81 0.89 0.02 1.61 0.31 -1.26 -0.36 118.33 115.72 3kci n VAL 4199Ca -0.03 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3kci n VAL 4199Cb 0.55 -1.56 -0.00 0.00 -0.91 0.00 0.00 33.84 31.91 3kci n VAL 4199CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3kci n VAL 4200N 2.06 0.00 -3.74 2.52 0.24 0.66 -4.80 118.33 115.28 3kci n VAL 4200Ca 0.11 -0.31 -0.13 0.00 -2.04 0.00 0.00 64.34 61.97 3kci n VAL 4200Cb 0.32 0.81 -0.10 0.00 -1.47 0.00 0.00 33.84 33.40 3kci n VAL 4200CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3kci s LYS 4201N -1.42 0.45 0.16 7.34 2.47 -1.05 -4.96 119.74 122.72 3kci s LYS 4201Ca 0.00 0.54 0.11 0.00 -1.56 0.00 0.00 55.97 55.06 3kci s LYS 4201Cb 0.00 0.21 -0.04 0.00 -1.46 0.00 0.00 37.83 36.54 3kci s LYS 4201CO 0.03 -0.06 -0.24 0.14 0.16 0.00 0.00 175.35 175.38 3kci s VAL 4202N 0.24 2.22 0.05 4.02 -7.23 -1.26 -0.98 120.40 117.47 3kci s VAL 4202Ca -0.00 -1.90 -0.11 0.00 -1.81 0.00 0.00 61.98 58.17 3kci s VAL 4202Cb -0.03 -2.01 0.01 0.00 0.56 0.00 0.00 36.38 34.91 3kci s VAL 4202CO 0.00 -0.06 0.23 -1.61 -0.31 0.00 0.00 175.10 173.35 3kci s GLU 4203N -2.42 0.77 -0.05 4.82 2.02 -0.45 -4.63 118.70 118.75 3kci s GLU 4203Ca 0.17 -0.67 0.06 0.00 0.02 0.00 0.00 54.97 54.56 3kci s GLU 4203Cb -0.09 0.32 -0.01 0.00 0.10 0.00 0.00 34.13 34.45 3kci s GLU 4203CO 0.08 -0.24 -0.25 0.00 0.02 0.00 0.00 175.26 174.87 3kci n GLY 4205N 2.86 3.84 3.60 0.00 0.00 -0.64 -4.87 105.19 109.98 3kci n GLY 4205Ca -0.17 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.34 3kci n GLY 4205CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kci s SER 4206N -0.45 6.15 -1.80 1.61 0.15 -0.35 -3.00 113.70 116.00 3kci s SER 4206Ca 0.00 1.12 0.00 0.00 0.70 0.00 0.00 55.95 57.77 3kci s SER 4206Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 3kci s SER 4206CO 0.00 -1.54 0.00 0.00 1.20 0.00 0.00 173.24 172.90 3kci n GLN 4207N 8.19 -1.29 -3.96 5.44 1.13 -1.26 -4.83 117.38 120.80 3kci n GLN 4207Ca 0.20 1.06 -0.10 0.00 -1.94 0.00 0.00 57.00 56.22 3kci n GLN 4207Cb 0.47 -5.38 -0.07 0.00 0.11 0.00 0.00 30.24 25.37 3kci n GLN 4207CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 3kci s PHE 4208N -2.72 0.39 0.07 1.08 -0.12 -1.16 -1.06 117.98 114.45 3kci s PHE 4208Ca 0.00 -0.75 0.04 0.00 -0.05 0.00 0.00 56.93 56.18 3kci s PHE 4208Cb 0.00 -0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 42.32 3kci s PHE 4208CO 0.00 -0.74 -0.12 -1.12 -0.05 0.00 0.00 175.22 173.19 3kci s SER 4209N -2.97 1.43 -0.00 1.98 0.01 0.84 -1.63 113.70 113.37 3kci s SER 4209Ca 0.17 -0.62 -0.01 0.00 1.31 0.00 0.00 55.95 56.81 3kci s SER 4209Cb 0.03 -0.02 -0.00 0.00 0.21 0.00 0.00 66.02 66.24 3kci s SER 4209CO 0.00 -0.13 0.01 -0.69 0.41 0.00 0.00 173.24 172.85 3kci s VAL 4210N -1.41 0.01 0.01 3.43 1.01 0.06 -1.66 120.40 121.86 3kci s VAL 4210Ca -0.03 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.86 3kci s VAL 4210Cb -0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 36.38 36.21 3kci s VAL 4210CO 0.02 -0.06 -0.08 0.00 0.00 0.00 0.00 175.10 174.98 3kci s ALA 4211N -0.17 0.65 -0.08 5.51 0.00 -0.14 -1.34 121.76 126.19 3kci s ALA 4211Ca -0.02 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.49 3kci s ALA 4211Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 3kci s ALA 4211CO -0.00 0.11 -0.21 -1.17 0.00 0.00 0.00 175.76 174.48 3kci s LEU 4212N -0.68 2.28 0.21 0.00 2.96 -0.15 -0.38 118.68 122.93 3kci s LEU 4212Ca -0.01 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.50 3kci s LEU 4212Cb -0.05 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 3kci s LEU 4212CO 0.00 0.23 0.32 0.42 -1.32 0.00 0.00 176.35 176.00 3kci s THR 4213N -0.04 5.22 0.34 3.68 -4.23 -0.26 -0.24 115.64 120.11 3kci s THR 4213Ca -0.06 -0.92 0.09 0.00 -1.18 0.00 0.00 61.69 59.62 3kci s THR 4213Cb -0.15 -3.79 0.32 0.00 1.34 0.00 0.00 72.50 70.23 3kci s THR 4213CO 0.05 -0.26 1.80 0.50 -0.54 0.00 0.00 174.62 176.17 3kci h LYS 4214N 1.50 0.65 0.00 3.99 1.63 -0.95 0.44 116.57 123.83 3kci h LYS 4214Ca -0.51 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.25 3kci h LYS 4214Cb 1.22 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 3kci h LYS 4214CO 0.63 0.43 0.00 0.66 -3.45 0.00 0.00 179.45 177.72 3kci h SER 4215N 0.67 0.00 0.00 4.20 4.64 -1.85 -3.46 113.55 117.75 3kci h SER 4215Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 3kci h SER 4215Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3kci h SER 4215CO -0.32 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.25 3kci n GLY 4216N -0.22 0.91 3.80 -0.77 0.00 0.15 -4.77 105.19 104.30 3kci n GLY 4216Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3kci n GLY 4216CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kci s ALA 4217N -2.00 3.20 -0.12 4.61 0.00 -1.26 -2.67 121.76 123.52 3kci s ALA 4217Ca 0.00 0.42 -0.00 0.00 0.00 0.00 0.00 51.96 52.38 3kci s ALA 4217Cb 0.00 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 3kci s ALA 4217CO 0.00 0.19 -0.11 0.08 0.00 0.00 0.00 175.76 175.92 3kci s VAL 4218N -1.76 3.27 -0.06 0.00 1.01 -1.26 -1.10 120.40 120.50 3kci s VAL 4218Ca 0.52 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.94 3kci s VAL 4218Cb -0.16 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 3kci s VAL 4218CO 0.20 0.53 -0.13 -0.31 0.00 0.00 0.00 175.10 175.40 3kci s TYR 4219N 0.16 2.76 0.09 5.22 2.02 0.49 -0.13 117.35 127.96 3kci s TYR 4219Ca -0.06 -0.16 0.04 0.00 -0.37 0.00 0.00 57.07 56.52 3kci s TYR 4219Cb -0.15 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.71 3kci s TYR 4219CO 0.04 0.18 -0.11 0.95 -1.57 0.00 0.00 175.55 175.05 3kci s THR 4220N -0.65 0.94 0.15 -0.71 -4.23 -0.45 -0.97 115.64 109.73 3kci s THR 4220Ca 0.10 -1.50 -0.22 0.00 -1.18 0.00 0.00 61.69 58.88 3kci s THR 4220Cb -0.11 -1.21 0.06 0.00 1.34 0.00 0.00 72.50 72.58 3kci s THR 4220CO 0.01 -0.46 0.56 -1.66 -0.54 0.00 0.00 174.62 172.53 3kci s TRP 4221N -2.05 -0.48 -0.26 3.99 -2.14 -0.66 -2.16 118.94 115.17 3kci s TRP 4221Ca 0.02 0.27 0.00 0.00 2.66 0.00 0.00 56.10 59.05 3kci s TRP 4221Cb -0.05 0.50 0.00 0.00 -3.10 0.00 0.00 33.47 30.82 3kci s TRP 4221CO 0.01 -0.82 0.00 0.41 -2.66 0.00 0.00 176.95 173.89 3kci n GLY 4222N -0.32 0.35 3.72 3.67 0.00 0.13 -0.11 105.19 112.62 3kci n GLY 4222Ca -0.17 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.34 3kci n GLY 4222CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kci s LYS 4223N -0.10 4.23 0.02 1.61 2.20 -0.22 -1.37 119.74 126.09 3kci s LYS 4223Ca 0.00 2.33 0.22 0.00 -0.36 0.00 0.00 55.97 58.17 3kci s LYS 4223Cb 0.00 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 33.13 3kci s LYS 4223CO 0.00 -0.58 0.98 0.41 -0.36 0.00 0.00 175.35 175.79 3kci n GLY 4224N 3.68 -1.12 3.61 5.54 0.00 -1.26 -4.58 105.19 111.05 3kci n GLY 4224Ca 0.13 -0.48 -0.45 0.00 0.00 0.00 0.00 46.02 45.23 3kci n GLY 4224CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kci n ASP 4225N -1.76 1.56 -0.89 1.61 9.92 -1.23 -2.24 116.55 123.53 3kci n ASP 4225Ca 0.03 1.18 -0.12 0.00 -0.53 0.00 0.00 54.79 55.35 3kci n ASP 4225Cb 0.40 -1.32 -0.05 0.00 -0.64 0.00 0.00 41.12 39.51 3kci n ASP 4225CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3kci n TYR 4226N 0.40 0.00 -1.27 1.24 4.01 -1.26 -3.70 117.16 116.58 3kci n TYR 4226Ca 0.09 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.74 3kci n TYR 4226Cb 0.32 -2.36 -0.04 0.00 -0.31 0.00 0.00 39.34 36.95 3kci n TYR 4226CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3kci n HIS 4227N -2.50 0.00 0.20 -0.72 8.25 -0.95 -2.85 115.22 116.65 3kci n HIS 4227Ca -0.12 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.50 3kci n HIS 4227Cb 0.46 -1.85 0.79 0.00 1.12 0.00 0.00 29.99 30.51 3kci n HIS 4227CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 3kci h ARG 4228N 0.05 0.00 0.00 -0.41 0.11 -1.73 -2.49 114.38 109.90 3kci h ARG 4228Ca -0.19 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.85 3kci h ARG 4228Cb 0.64 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.72 3kci h ARG 4228CO 0.28 0.00 -0.46 -0.07 0.10 0.00 0.00 179.97 179.81 3kci h LEU 4229N 0.00 0.00 0.11 0.08 3.38 -1.84 -3.43 115.31 113.60 3kci h LEU 4229Ca 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3kci h LEU 4229Cb 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3kci h LEU 4229CO -0.00 0.17 -0.04 0.61 0.09 0.00 0.00 178.44 179.27 3kci n GLY 4230N 1.17 0.55 0.24 0.83 0.00 -0.94 -4.76 105.19 102.29 3kci n GLY 4230Ca 0.01 -0.97 0.13 0.00 0.00 0.00 0.00 46.02 45.20 3kci n GLY 4230CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kci n HIS 4231N -2.93 0.00 -0.27 1.61 8.25 -1.24 -4.26 115.22 116.38 3kci n HIS 4231Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3kci n HIS 4231Cb 0.07 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.06 3kci n HIS 4231CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kci n GLY 4232N 1.37 0.85 3.60 -1.41 0.00 -1.09 -4.99 105.19 103.53 3kci n GLY 4232Ca 0.11 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 3kci n GLY 4232CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kci s SER 4233N -2.15 -0.26 -0.17 1.61 1.04 -1.26 -5.02 113.70 107.48 3kci s SER 4233Ca 0.00 -0.54 0.15 0.00 0.48 0.00 0.00 55.95 56.04 3kci s SER 4233Cb 0.00 0.62 0.73 0.00 0.10 0.00 0.00 66.02 67.47 3kci s SER 4233CO 0.00 -1.13 1.63 -0.90 0.98 0.00 0.00 173.24 173.82 3kci n ASP 4234N -0.38 5.02 -4.77 7.02 5.68 -1.26 -4.74 116.55 123.13 3kci n ASP 4234Ca -0.08 -2.67 -0.40 0.00 -0.50 0.00 0.00 54.79 51.15 3kci n ASP 4234Cb 0.62 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 3kci n ASP 4234CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 3kci s ASP 4235N -0.79 6.18 0.51 -1.12 1.01 -1.26 -3.47 116.67 117.74 3kci s ASP 4235Ca 0.50 2.74 -0.22 0.00 0.71 0.00 0.00 52.55 56.28 3kci s ASP 4235Cb 0.35 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.58 3kci s ASP 4235CO 0.19 -0.95 1.27 -1.00 0.21 0.00 0.00 175.17 174.89 3kci s HIS 4236N -1.24 2.55 -0.16 4.23 3.76 -1.26 -4.09 115.29 119.07 3kci s HIS 4236Ca 0.58 1.44 0.01 0.00 -0.15 0.00 0.00 55.06 56.94 3kci s HIS 4236Cb -0.40 -3.62 0.02 0.00 1.11 0.00 0.00 32.58 29.70 3kci s HIS 4236CO 0.51 -2.29 -0.15 0.08 -0.85 0.00 0.00 174.74 172.05 3kci s VAL 4237N -1.41 1.67 -2.13 -0.90 1.01 -0.47 -4.92 120.40 113.26 3kci s VAL 4237Ca 0.68 -0.74 0.17 0.00 0.00 0.00 0.00 61.98 62.09 3kci s VAL 4237Cb -0.35 -1.58 0.16 0.00 0.00 0.00 0.00 36.38 34.60 3kci s VAL 4237CO 0.42 0.43 1.07 0.54 0.00 0.00 0.00 175.10 177.57 3kci n ARG 4238N 4.73 1.49 -3.99 2.72 1.74 -1.26 0.19 116.66 122.28 3kci n ARG 4238Ca -0.17 -1.58 -0.09 0.00 -0.77 0.00 0.00 57.85 55.23 3kci n ARG 4238Cb 0.50 -1.34 -0.11 0.00 -1.02 0.00 0.00 32.46 30.49 3kci n ARG 4238CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3kci s ARG 4239N -1.42 0.33 0.16 5.56 0.52 -1.26 -0.68 118.95 122.17 3kci s ARG 4239Ca 0.21 -0.63 -0.34 0.00 -0.52 0.00 0.00 55.73 54.45 3kci s ARG 4239Cb 0.15 0.07 -0.14 0.00 0.52 0.00 0.00 34.95 35.55 3kci s ARG 4239CO 0.22 -0.04 1.51 -2.30 0.02 0.00 0.00 175.30 174.71 3kci n PRO 4240N 1.58 1.98 -4.77 3.54 -0.02 -1.26 -4.77 135.00 131.27 3kci n PRO 4240Ca -0.24 0.71 -0.27 0.00 -2.02 0.00 0.00 63.50 61.69 3kci n PRO 4240Cb 0.55 -2.44 -0.17 0.00 -0.02 0.00 0.00 33.50 31.42 3kci n PRO 4240CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3kci s ARG 4241N 0.63 2.03 0.30 -0.52 3.52 -0.92 -4.95 118.95 119.05 3kci s ARG 4241Ca 0.78 -0.55 -0.29 0.00 -0.13 0.00 0.00 55.73 55.54 3kci s ARG 4241Cb -0.72 -1.64 -0.10 0.00 -1.56 0.00 0.00 34.95 30.94 3kci s ARG 4241CO 0.41 0.09 1.30 -1.14 -0.81 0.00 0.00 175.30 175.15 3kci s GLN 4242N 0.52 4.38 -0.61 5.12 0.74 -1.26 -1.34 119.66 127.20 3kci s GLN 4242Ca -0.15 2.16 -0.27 0.00 0.05 0.00 0.00 55.36 57.15 3kci s GLN 4242Cb -0.16 -3.11 0.03 0.00 1.10 0.00 0.00 33.01 30.88 3kci s GLN 4242CO 0.05 -0.18 1.18 0.08 -0.55 0.00 0.00 175.29 175.87 3kci s VAL 4243N -0.81 4.00 0.04 1.34 1.01 0.82 -4.88 120.40 121.92 3kci s VAL 4243Ca 0.51 0.73 0.30 0.00 0.00 0.00 0.00 61.98 63.51 3kci s VAL 4243Cb -0.39 -4.75 0.34 0.00 0.00 0.00 0.00 36.38 31.59 3kci s VAL 4243CO 0.48 -1.43 1.89 1.56 0.00 0.00 0.00 175.10 177.61 3kci h GLN 4244N 9.62 0.00 0.00 2.72 1.08 -1.88 -2.10 115.11 124.55 3kci h GLN 4244Ca -0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 3kci h GLN 4244Cb 1.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 3kci h GLN 4244CO 1.20 0.06 0.00 0.41 -0.95 0.00 0.00 178.83 179.55 3kci n GLY 4245N 0.21 -0.99 0.73 3.46 0.00 -1.26 -1.71 105.19 105.62 3kci n GLY 4245Ca 0.01 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.09 3kci n GLY 4245CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kci n LEU 4246N -1.68 2.87 -4.64 0.99 4.77 -0.79 -4.79 117.00 113.74 3kci n LEU 4246Ca 0.03 -1.72 -0.53 0.00 -0.03 0.00 0.00 56.01 53.76 3kci n LEU 4246Cb 0.16 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 3kci n LEU 4246CO 0.13 0.68 1.10 0.00 -1.33 0.00 0.00 177.39 177.96 3kci n GLN 4247N 0.77 1.32 -0.98 3.23 10.64 -0.69 -0.69 117.38 130.98 3kci n GLN 4247Ca 0.13 0.48 0.00 0.00 -1.83 0.00 0.00 57.00 55.78 3kci n GLN 4247Cb 0.43 -2.16 0.00 0.00 -0.86 0.00 0.00 30.24 27.65 3kci n GLN 4247CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3kci n GLY 4248N 3.23 0.35 3.65 2.61 0.00 -1.26 -5.01 105.19 108.76 3kci n GLY 4248Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 3kci n GLY 4248CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kci s LYS 4249N -0.71 3.68 -0.88 1.61 -0.14 0.14 -5.05 119.74 118.39 3kci s LYS 4249Ca 0.00 -0.36 -0.18 0.00 -1.36 0.00 0.00 55.97 54.08 3kci s LYS 4249Cb 0.00 -3.08 0.15 0.00 -1.68 0.00 0.00 37.83 33.22 3kci s LYS 4249CO 0.00 0.41 1.01 0.21 -0.76 0.00 0.00 175.35 176.22 3kci s LYS 4250N -0.04 3.56 0.07 1.68 2.36 -1.26 -4.67 119.74 121.43 3kci s LYS 4250Ca 0.05 -1.89 -0.30 0.00 -2.55 0.00 0.00 55.97 51.28 3kci s LYS 4250Cb -0.12 -4.74 -0.05 0.00 -1.05 0.00 0.00 37.83 31.87 3kci s LYS 4250CO 0.01 -1.64 1.06 0.08 1.55 0.00 0.00 175.35 176.41 3kci s VAL 4251N 2.08 4.39 -0.19 4.02 1.01 -1.09 -1.34 120.40 129.28 3kci s VAL 4251Ca 0.28 1.82 0.10 0.00 0.00 0.00 0.00 61.98 64.18 3kci s VAL 4251Cb -0.07 -4.16 -0.14 0.00 0.00 0.00 0.00 36.38 32.00 3kci s VAL 4251CO -0.08 0.20 0.30 2.30 0.00 0.00 0.00 175.10 177.82 3kci n ILE 4252N 3.41 0.00 -3.67 2.22 -5.35 0.21 -4.42 119.36 111.75 3kci n ILE 4252Ca 0.05 -0.25 -0.14 0.00 -0.27 0.00 0.00 62.75 62.14 3kci n ILE 4252Cb 0.48 0.55 -0.08 0.00 -1.74 0.00 0.00 39.64 38.85 3kci n ILE 4252CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kci s ALA 4253N -2.42 -1.30 0.01 -1.28 0.00 -1.20 -5.01 121.76 110.55 3kci s ALA 4253Ca -0.01 1.20 -0.02 0.00 0.00 0.00 0.00 51.96 53.13 3kci s ALA 4253Cb 0.07 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 3kci s ALA 4253CO 0.42 -0.28 0.02 -1.50 0.00 0.00 0.00 175.76 174.43 3kci s ILE 4254N -0.39 0.09 0.06 0.00 2.07 -1.26 -1.69 121.20 120.08 3kci s ILE 4254Ca -0.05 -0.74 0.00 0.00 -1.41 0.00 0.00 60.65 58.45 3kci s ILE 4254Cb -0.03 -0.28 -0.04 0.00 0.13 0.00 0.00 42.46 42.24 3kci s ILE 4254CO 0.04 -0.41 -0.05 0.00 -1.91 0.00 0.00 174.94 172.61 3kci s ALA 4255N -1.26 0.64 -0.04 1.50 0.00 -0.04 -5.01 121.76 117.55 3kci s ALA 4255Ca -0.14 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.68 3kci s ALA 4255Cb -0.08 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.26 3kci s ALA 4255CO -0.00 -0.27 -0.06 0.99 0.00 0.00 0.00 175.76 176.41 3kci s THR 4256N -3.35 0.67 0.00 0.00 2.01 -1.26 -1.37 115.64 112.33 3kci s THR 4256Ca 0.05 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.83 3kci s THR 4256Cb 0.04 -0.66 0.00 0.00 0.01 0.00 0.00 72.50 71.89 3kci s THR 4256CO -0.06 0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.72 3kci n GLY 4257N 3.90 1.11 0.16 4.40 0.00 0.09 -4.72 105.19 110.13 3kci n GLY 4257Ca -0.24 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 43.78 3kci n GLY 4257CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3kci h SER 4258N 0.00 0.47 0.00 1.61 0.02 -1.31 -3.37 113.55 110.97 3kci h SER 4258Ca 0.00 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 3kci h SER 4258Cb 0.00 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3kci h SER 4258CO 0.00 0.68 -0.18 0.18 -1.14 0.00 0.00 176.83 176.36 3kci n LEU 4259N -4.60 0.93 -3.88 5.07 4.77 -1.26 -1.22 117.00 116.82 3kci n LEU 4259Ca -0.03 -1.50 -0.09 0.00 -0.03 0.00 0.00 56.01 54.36 3kci n LEU 4259Cb 0.26 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 3kci n LEU 4259CO 0.38 0.36 -0.13 -1.38 -1.33 0.00 0.00 177.39 175.30 3kci s HIS 4260N -0.92 0.19 0.12 -1.77 -3.43 -1.26 -1.38 115.29 106.84 3kci s HIS 4260Ca 0.09 -0.64 0.08 0.00 -0.80 0.00 0.00 55.06 53.79 3kci s HIS 4260Cb 0.08 -0.10 -0.04 0.00 -1.43 0.00 0.00 32.58 31.09 3kci s HIS 4260CO 0.01 -0.52 -0.19 0.00 -2.00 0.00 0.00 174.74 172.04 3kci s VAL 4262N -1.54 0.79 0.16 0.00 0.11 -0.47 -2.45 120.40 117.00 3kci s VAL 4262Ca 0.09 -0.62 -0.11 0.00 -2.93 0.00 0.00 61.98 58.40 3kci s VAL 4262Cb -0.08 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 3kci s VAL 4262CO 0.05 0.08 0.34 0.00 -3.33 0.00 0.00 175.10 172.24 3kci s THR 4265N -2.40 2.36 0.36 0.00 -4.23 -0.15 -0.62 115.64 110.95 3kci s THR 4265Ca 0.02 -1.24 0.05 0.00 -1.18 0.00 0.00 61.69 59.34 3kci s THR 4265Cb -0.03 -2.60 0.29 0.00 1.34 0.00 0.00 72.50 71.50 3kci s THR 4265CO -0.01 0.00 1.96 -0.33 -0.54 0.00 0.00 174.62 175.70 3kci h GLU 4266N 0.70 0.76 -0.26 3.99 5.08 -1.56 -1.41 114.58 121.87 3kci h GLU 4266Ca -0.37 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3kci h GLU 4266Cb 1.28 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3kci h GLU 4266CO 0.51 0.50 0.00 -0.25 -1.00 0.00 0.00 179.01 178.78 3kci n ASP 4267N -4.47 1.77 0.00 1.42 8.00 -1.26 -4.93 116.55 117.07 3kci n ASP 4267Ca 0.10 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.74 3kci n ASP 4267Cb 0.20 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 3kci n ASP 4267CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kci n GLY 4268N 1.09 0.86 3.80 0.44 0.00 -0.53 -4.87 105.19 105.98 3kci n GLY 4268Ca 0.14 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 3kci n GLY 4268CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kci s GLU 4269N -2.05 4.28 -0.06 1.61 2.02 -1.26 -4.29 118.70 118.95 3kci s GLU 4269Ca 0.00 0.84 0.05 0.00 0.02 0.00 0.00 54.97 55.87 3kci s GLU 4269Cb 0.00 -3.19 -0.02 0.00 0.10 0.00 0.00 34.13 31.02 3kci s GLU 4269CO 0.00 0.59 -0.20 0.08 0.02 0.00 0.00 175.26 175.75 3kci s VAL 4270N -1.18 2.51 0.01 2.63 1.01 -1.26 -0.98 120.40 123.13 3kci s VAL 4270Ca 0.32 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.46 3kci s VAL 4270Cb -0.20 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3kci s VAL 4270CO 0.21 0.57 -0.18 -0.31 0.00 0.00 0.00 175.10 175.38 3kci s TYR 4271N -0.29 1.64 0.18 5.22 2.02 -0.33 -0.07 117.35 125.71 3kci s TYR 4271Ca 0.01 -0.33 0.05 0.00 -0.37 0.00 0.00 57.07 56.42 3kci s TYR 4271Cb -0.13 -1.02 -0.05 0.00 -0.40 0.00 0.00 41.96 40.37 3kci s TYR 4271CO 0.03 0.02 -0.08 0.95 -1.57 0.00 0.00 175.55 174.89 3kci s THR 4272N -0.60 1.25 0.18 -0.71 -4.23 -0.80 -1.00 115.64 109.73 3kci s THR 4272Ca 0.06 -2.08 -0.24 0.00 -1.18 0.00 0.00 61.69 58.26 3kci s THR 4272Cb -0.08 -2.02 0.05 0.00 1.34 0.00 0.00 72.50 71.80 3kci s THR 4272CO 0.00 -0.61 0.77 -1.66 -0.54 0.00 0.00 174.62 172.59 3kci s TRP 4273N -3.28 -0.29 -0.04 3.99 -2.14 -1.03 -1.65 118.94 114.50 3kci s TRP 4273Ca 0.21 -0.03 0.00 0.00 2.66 0.00 0.00 56.10 58.94 3kci s TRP 4273Cb 0.03 0.63 0.00 0.00 -3.10 0.00 0.00 33.47 31.03 3kci s TRP 4273CO 0.04 -0.94 0.00 0.41 -2.66 0.00 0.00 176.95 173.79 3kci n GLY 4274N -0.41 0.26 3.82 3.67 0.00 -0.27 -1.76 105.19 110.50 3kci n GLY 4274Ca -0.08 -2.06 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 3kci n GLY 4274CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kci s ASP 4275N -4.00 6.58 -0.05 1.61 2.15 -0.48 -1.71 116.67 120.77 3kci s ASP 4275Ca 0.00 1.71 0.17 0.00 0.43 0.00 0.00 52.55 54.86 3kci s ASP 4275Cb 0.00 -2.53 0.32 0.00 -0.30 0.00 0.00 42.92 40.41 3kci s ASP 4275CO 0.00 -0.62 1.14 -3.20 -0.17 0.00 0.00 175.17 172.32 3kci n ASN 4276N -1.20 1.01 0.25 -0.34 5.15 -1.26 -4.56 115.26 114.31 3kci n ASN 4276Ca 0.07 -2.43 0.09 0.00 -0.60 0.00 0.00 54.58 51.72 3kci n ASN 4276Cb 0.54 -0.33 0.63 0.00 -0.53 0.00 0.00 39.78 40.09 3kci n ASN 4276CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 3kci h ASP 4277N 0.70 0.00 -0.45 1.20 5.19 -1.94 -1.35 116.42 119.78 3kci h ASP 4277Ca -0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 3kci h ASP 4277Cb 1.56 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.07 3kci h ASP 4277CO 0.05 0.15 0.00 -0.62 -3.12 0.00 0.00 179.24 175.70 3kci n GLU 4278N -3.95 2.54 -0.87 3.56 -0.58 -1.26 -4.93 120.64 115.15 3kci n GLU 4278Ca -0.02 -2.22 0.00 0.00 -0.42 0.00 0.00 57.16 54.50 3kci n GLU 4278Cb 0.24 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 3kci n GLU 4278CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kci n GLY 4279N 1.09 0.52 0.00 0.62 0.00 -0.51 -3.12 105.19 103.80 3kci n GLY 4279Ca 0.17 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.85 3kci n GLY 4279CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kci n GLN 4280N -2.87 0.10 0.12 1.61 0.00 -1.26 -2.17 117.38 112.92 3kci n GLN 4280Ca 0.00 0.20 0.12 0.00 0.00 0.00 0.00 57.00 57.32 3kci n GLN 4280Cb 0.00 -1.50 0.06 0.00 0.00 0.00 0.00 30.24 28.80 3kci n GLN 4280CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 3kci h LEU 4281N 0.00 0.00 0.32 2.61 3.38 -1.89 -3.43 115.31 116.30 3kci h LEU 4281Ca 0.00 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3kci h LEU 4281Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3kci h LEU 4281CO 0.00 0.01 -0.06 0.61 0.09 0.00 0.00 178.44 179.09 3kci n GLY 4282N 1.18 0.31 1.07 0.83 0.00 -0.92 -4.77 105.19 102.89 3kci n GLY 4282Ca 0.01 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 45.30 3kci n GLY 4282CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kci n ASP 4283N 1.54 4.00 0.00 1.61 5.75 -1.12 -4.29 116.55 124.03 3kci n ASP 4283Ca -0.03 -2.62 0.00 0.00 -0.01 0.00 0.00 54.79 52.13 3kci n ASP 4283Cb 0.47 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 3kci n ASP 4283CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kci n GLY 4284N 0.22 0.70 3.49 6.12 0.00 0.63 -5.01 105.19 111.34 3kci n GLY 4284Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 3kci n GLY 4284CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kci s THR 4285N -2.64 0.60 -0.26 2.61 -4.23 -1.26 -4.98 115.64 105.48 3kci s THR 4285Ca 0.00 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.60 3kci s THR 4285Cb 0.00 -2.40 0.47 0.00 1.34 0.00 0.00 72.50 71.92 3kci s THR 4285CO 0.00 0.00 1.37 0.35 -0.54 0.00 0.00 174.62 175.80 3kci n THR 4286N -0.86 2.43 -3.46 3.99 -2.24 -1.26 -4.35 114.28 108.53 3kci n THR 4286Ca -0.05 -2.96 -0.37 0.00 -2.27 0.00 0.00 64.05 58.40 3kci n THR 4286Cb 0.65 -0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 68.52 3kci n THR 4286CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3kci s ASN 4287N -2.82 6.54 0.67 3.42 0.01 -1.26 -4.21 114.94 117.29 3kci s ASN 4287Ca 0.42 0.64 -0.17 0.00 -0.71 0.00 0.00 52.86 53.04 3kci s ASN 4287Cb 0.39 -2.22 -0.01 0.00 0.41 0.00 0.00 41.25 39.82 3kci s ASN 4287CO -0.03 0.08 1.10 0.00 -1.51 0.00 0.00 177.10 176.73 3kci n ALA 4288N 3.52 0.40 -4.04 0.60 0.00 -1.26 -4.60 120.51 115.13 3kci n ALA 4288Ca -0.10 -0.07 -0.33 0.00 0.00 0.00 0.00 53.44 52.94 3kci n ALA 4288Cb 0.52 -2.20 -0.16 0.00 0.00 0.00 0.00 19.45 17.61 3kci n ALA 4288CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kci s ILE 4289N -1.58 2.13 0.20 0.00 1.01 -0.70 -4.98 121.20 117.29 3kci s ILE 4289Ca 0.78 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 60.57 3kci s ILE 4289Cb -0.38 -1.89 -0.10 0.00 0.01 0.00 0.00 42.46 40.10 3kci s ILE 4289CO 0.45 0.53 1.47 1.56 0.00 0.00 0.00 174.94 178.96 3kci h GLN 4290N 7.88 0.10 -4.91 2.79 4.20 -1.89 -0.70 115.11 122.58 3kci h GLN 4290Ca -0.44 -0.10 -0.32 0.00 0.06 0.00 0.00 58.65 57.85 3kci h GLN 4290Cb 1.15 0.02 -0.19 0.00 0.30 0.00 0.00 27.48 28.76 3kci h GLN 4290CO 0.63 0.82 -0.74 1.03 -0.67 0.00 0.00 178.83 179.90 3kci s ARG 4291N -3.34 0.77 0.16 1.46 0.52 -1.26 -2.65 118.95 114.61 3kci s ARG 4291Ca -0.02 -1.05 -0.34 0.00 -0.52 0.00 0.00 55.73 53.81 3kci s ARG 4291Cb 0.11 -0.50 -0.15 0.00 0.52 0.00 0.00 34.95 34.92 3kci s ARG 4291CO 0.80 0.08 1.29 -2.30 0.02 0.00 0.00 175.30 175.20 3kci n PRO 4292N 0.83 1.43 -4.57 3.54 -0.02 -1.26 -4.76 135.00 130.19 3kci n PRO 4292Ca -0.18 0.51 -0.22 0.00 -2.02 0.00 0.00 63.50 61.59 3kci n PRO 4292Cb 0.57 -2.10 -0.15 0.00 -0.02 0.00 0.00 33.50 31.79 3kci n PRO 4292CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3kci s ARG 4293N -0.05 1.17 0.34 -0.52 3.52 -0.66 -4.95 118.95 117.81 3kci s ARG 4293Ca 0.75 -0.43 -0.29 0.00 -0.13 0.00 0.00 55.73 55.63 3kci s ARG 4293Cb -0.82 -1.09 -0.11 0.00 -1.56 0.00 0.00 34.95 31.37 3kci s ARG 4293CO 0.49 0.21 1.51 -1.17 -0.81 0.00 0.00 175.30 175.53 3kci s LEU 4294N -0.04 4.33 -0.66 -0.88 2.96 -1.26 -1.91 118.68 121.22 3kci s LEU 4294Ca 0.00 2.99 -0.25 0.00 -0.22 0.00 0.00 54.13 56.65 3kci s LEU 4294Cb -0.08 -3.65 0.04 0.00 0.50 0.00 0.00 46.19 43.00 3kci s LEU 4294CO 0.00 -0.87 1.11 -0.69 -1.32 0.00 0.00 176.35 174.59 3kci s VAL 4295N -0.71 4.06 0.25 1.68 1.01 0.90 -4.90 120.40 122.69 3kci s VAL 4295Ca 0.56 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.73 3kci s VAL 4295Cb -0.47 -4.76 0.22 0.00 0.00 0.00 0.00 36.38 31.38 3kci s VAL 4295CO 0.57 -1.54 1.81 0.00 0.00 0.00 0.00 175.10 175.94 3kci h ALA 4296N 9.70 1.22 0.00 5.51 0.00 -1.88 -2.37 119.26 131.44 3kci h ALA 4296Ca -0.28 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3kci h ALA 4296Cb 1.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3kci h ALA 4296CO 1.20 0.12 0.00 0.00 0.00 0.00 0.00 179.25 180.57 3kci h ALA 4297N 1.47 1.00 -0.02 0.00 0.00 -1.91 -2.45 119.26 117.35 3kci h ALA 4297Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3kci h ALA 4297Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3kci h ALA 4297CO -0.25 0.00 -0.07 1.28 0.00 0.00 0.00 179.25 180.21 3kci n LEU 4298N -3.02 1.86 -4.70 0.00 4.77 -0.89 -4.90 117.00 110.12 3kci n LEU 4298Ca -0.00 -0.61 -0.42 0.00 -0.03 0.00 0.00 56.01 54.94 3kci n LEU 4298Cb 0.25 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 3kci n LEU 4298CO 0.25 0.32 1.28 -1.10 -1.33 0.00 0.00 177.39 176.80 3kci s GLN 4299N -2.11 4.21 0.00 3.23 -1.52 -0.92 -1.49 119.66 121.06 3kci s GLN 4299Ca 0.32 2.34 0.00 0.00 -1.95 0.00 0.00 55.36 56.06 3kci s GLN 4299Cb 0.20 -3.40 0.00 0.00 -0.22 0.00 0.00 33.01 29.60 3kci s GLN 4299CO 0.37 -0.67 0.00 0.41 -0.25 0.00 0.00 175.29 175.15 3kci n GLY 4300N 3.88 1.08 0.41 3.09 0.00 -1.26 -4.95 105.19 107.44 3kci n GLY 4300Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 3kci n GLY 4300CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kci n LYS 4301N -2.00 1.49 -3.76 1.61 4.76 -0.55 -4.95 118.16 114.75 3kci n LYS 4301Ca 0.00 -0.83 -0.27 0.00 -2.87 0.00 0.00 58.31 54.34 3kci n LYS 4301Cb 0.00 -1.48 0.05 0.00 -1.84 0.00 0.00 35.03 31.76 3kci n LYS 4301CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3kci n LYS 4302N -0.03 -6.49 -2.03 1.97 4.76 -1.26 -4.67 118.16 110.41 3kci n LYS 4302Ca 0.18 0.70 -0.42 0.00 -2.87 0.00 0.00 58.31 55.90 3kci n LYS 4302Cb 0.34 -5.64 -0.03 0.00 -1.84 0.00 0.00 35.03 27.86 3kci n LYS 4302CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3kci s VAL 4303N -3.33 2.77 -0.01 -0.18 1.01 -1.26 -4.37 120.40 115.02 3kci s VAL 4303Ca 0.57 0.61 0.01 0.00 0.00 0.00 0.00 61.98 63.17 3kci s VAL 4303Cb -0.27 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.73 3kci s VAL 4303CO 0.79 0.08 0.70 -0.46 0.00 0.00 0.00 175.10 176.21 3kci n ASN 4304N 2.84 0.39 -3.81 3.32 0.23 -0.31 -4.30 115.26 113.62 3kci n ASN 4304Ca 0.09 -1.44 -0.13 0.00 -0.53 0.00 0.00 54.58 52.57 3kci n ASN 4304Cb 0.40 -0.06 -0.13 0.00 -2.08 0.00 0.00 39.78 37.91 3kci n ASN 4304CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 3kci s ARG 4305N -0.27 0.11 0.04 -3.83 1.81 -0.53 -4.94 118.95 111.34 3kci s ARG 4305Ca 0.01 0.20 0.00 0.00 -1.72 0.00 0.00 55.73 54.23 3kci s ARG 4305Cb 0.01 -0.01 -0.03 0.00 -0.45 0.00 0.00 34.95 34.47 3kci s ARG 4305CO 0.00 -0.06 -0.04 0.14 -0.68 0.00 0.00 175.30 174.66 3kci s VAL 4306N 0.37 0.25 0.10 3.52 -7.23 -1.26 -1.12 120.40 115.03 3kci s VAL 4306Ca -0.03 -1.28 -0.15 0.00 -1.81 0.00 0.00 61.98 58.71 3kci s VAL 4306Cb -0.04 -0.80 0.03 0.00 0.56 0.00 0.00 36.38 36.13 3kci s VAL 4306CO -0.01 -0.66 0.37 0.00 -0.31 0.00 0.00 175.10 174.48 3kci s ALA 4307N -2.34 -0.83 0.11 1.32 0.00 -0.06 -4.77 121.76 115.19 3kci s ALA 4307Ca -0.06 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.85 3kci s ALA 4307Cb -0.03 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 3kci s ALA 4307CO -0.04 -0.58 -0.03 0.00 0.00 0.00 0.00 175.76 175.12 3kci n GLY 4309N -0.08 7.02 0.25 0.00 0.00 0.03 -1.02 105.19 111.39 3kci n GLY 4309Ca -0.10 -2.05 0.01 0.00 0.00 0.00 0.00 46.02 43.87 3kci n GLY 4309CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kci h SER 4310N 0.00 -0.52 -0.31 1.61 4.64 -0.61 -3.24 113.55 115.12 3kci h SER 4310Ca 0.00 0.19 -0.22 0.00 -0.47 0.00 0.00 61.79 61.29 3kci h SER 4310Cb 0.00 0.38 -0.32 0.00 -0.31 0.00 0.00 62.40 62.15 3kci h SER 4310CO 0.00 -0.20 -0.84 0.00 -0.87 0.00 0.00 176.83 174.92 3kci n ALA 4311N -3.03 2.69 -2.93 5.18 0.00 -1.26 -1.19 120.51 119.98 3kci n ALA 4311Ca 0.09 -2.19 -0.10 0.00 0.00 0.00 0.00 53.44 51.24 3kci n ALA 4311Cb 0.36 -0.87 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 3kci n ALA 4311CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3kci s HIS 4312N -2.46 0.04 -0.15 0.00 0.00 -1.22 -0.64 115.29 110.86 3kci s HIS 4312Ca 0.21 -0.40 -0.16 0.00 -3.00 0.00 0.00 55.06 51.72 3kci s HIS 4312Cb 0.37 0.16 0.04 0.00 -4.00 0.00 0.00 32.58 29.15 3kci s HIS 4312CO -0.07 -0.74 0.43 0.99 -1.00 0.00 0.00 174.74 174.36 3kci s THR 4313N -3.88 0.00 0.06 -5.38 2.01 -0.24 -0.79 115.64 107.43 3kci s THR 4313Ca 0.09 -0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.08 3kci s THR 4313Cb 0.02 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 3kci s THR 4313CO -0.06 -0.02 -0.10 -0.76 -0.69 0.00 0.00 174.62 172.99 3kci s LEU 4314N 0.07 2.30 -0.16 4.42 1.02 0.38 -1.07 118.68 125.63 3kci s LEU 4314Ca -0.01 -0.63 -0.13 0.00 0.02 0.00 0.00 54.13 53.37 3kci s LEU 4314Cb -0.03 -0.28 0.05 0.00 0.02 0.00 0.00 46.19 45.94 3kci s LEU 4314CO 0.01 -0.19 0.42 0.00 0.02 0.00 0.00 176.35 176.62 3kci s ALA 4315N -1.61 -1.05 0.27 4.21 0.00 -0.47 -0.88 121.76 122.23 3kci s ALA 4315Ca -0.04 1.29 -0.18 0.00 0.00 0.00 0.00 51.96 53.03 3kci s ALA 4315Cb -0.08 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 22.29 3kci s ALA 4315CO 0.01 -0.22 0.63 1.67 0.00 0.00 0.00 175.76 177.85 3kci s TRP 4316N 0.53 0.04 -0.08 0.00 -2.14 -0.27 -1.13 118.94 115.89 3kci s TRP 4316Ca -0.02 -0.46 0.02 0.00 2.66 0.00 0.00 56.10 58.30 3kci s TRP 4316Cb -0.04 0.51 -0.02 0.00 -3.10 0.00 0.00 33.47 30.81 3kci s TRP 4316CO -0.03 -1.15 -0.15 0.45 -2.66 0.00 0.00 176.95 173.41 3kci s SER 4317N -2.96 3.93 0.00 -2.66 0.15 -1.26 -1.16 113.70 109.74 3kci s SER 4317Ca 0.16 -0.28 0.30 0.00 0.70 0.00 0.00 55.95 56.83 3kci s SER 4317Cb -0.04 -1.15 1.39 0.00 -1.71 0.00 0.00 66.02 64.51 3kci s SER 4317CO 0.08 0.26 1.94 0.35 1.20 0.00 0.00 173.24 177.07