#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3l s THR 38 N 0.00 4.54 -0.04 1.69 -4.23 -1.26 -5.06 115.64 111.28 3h3l s THR 38 Ca 0.00 1.19 -0.03 0.00 -1.18 0.00 0.00 61.69 61.67 3h3l s THR 38 Cb 0.00 -3.69 -0.04 0.00 1.34 0.00 0.00 72.50 70.11 3h3l s THR 38 CO 0.00 -0.57 0.12 -1.10 -0.54 0.00 0.00 174.62 172.54 3h3l s GLN 39 N -3.80 3.28 0.23 3.99 -0.21 -1.26 -5.08 119.66 116.80 3h3l s GLN 39 Ca 0.58 -0.33 -0.30 0.00 0.02 0.00 0.00 55.36 55.33 3h3l s GLN 39 Cb -0.10 -3.02 -0.10 0.00 1.00 0.00 0.00 33.01 30.80 3h3l s GLN 39 CO 0.27 0.70 1.44 0.00 -2.12 0.00 0.00 175.29 175.58 3h3l s ALA 40 N -1.16 3.64 0.03 6.09 0.00 -1.26 -4.98 121.76 124.12 3h3l s ALA 40 Ca 0.21 1.30 0.09 0.00 0.00 0.00 0.00 51.96 53.57 3h3l s ALA 40 Cb -0.12 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 3h3l s ALA 40 CO 0.12 -0.72 -0.26 -0.51 0.00 0.00 0.00 175.76 174.38 3h3l s LEU 41 N -0.07 2.15 0.00 0.00 1.43 -1.26 -1.63 118.68 119.30 3h3l s LEU 41 Ca 0.61 -0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 53.06 3h3l s LEU 41 Cb -0.41 -1.27 0.12 0.00 0.03 0.00 0.00 46.19 44.65 3h3l s LEU 41 CO 0.40 0.26 0.58 -0.90 0.23 0.00 0.00 176.35 176.93 3h3l n ASP 42 N 1.89 -0.48 0.25 2.29 5.68 0.23 -4.82 116.55 121.60 3h3l n ASP 42 Ca -0.17 -1.08 0.17 0.00 -0.50 0.00 0.00 54.79 53.21 3h3l n ASP 42 Cb 0.52 -0.47 0.76 0.00 -1.14 0.00 0.00 41.12 40.79 3h3l n ASP 42 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3h3l h SER 43 N -1.15 0.00 -0.64 -1.12 0.02 -2.01 -0.27 113.55 108.38 3h3l h SER 43 Ca -0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3h3l h SER 43 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3h3l h SER 43 CO 0.14 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.30 3h3l n ASP 44 N -2.86 3.50 -0.01 3.07 8.00 -1.26 -4.96 116.55 122.03 3h3l n ASP 44 Ca -0.00 -2.00 -0.00 0.00 0.71 0.00 0.00 54.79 53.50 3h3l n ASP 44 Cb 0.22 -0.42 -0.00 0.00 -0.02 0.00 0.00 41.12 40.89 3h3l n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h3l n GLY 45 N 1.54 0.42 3.77 0.44 0.00 -0.11 -5.04 105.19 106.21 3h3l n GLY 45 Ca 0.22 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 3h3l n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h3l s ILE 46 N -2.00 5.28 0.26 -0.61 -1.09 -1.26 -4.76 121.20 117.02 3h3l s ILE 46 Ca 0.00 0.14 -0.30 0.00 -2.23 0.00 0.00 60.65 58.25 3h3l s ILE 46 Cb 0.00 -3.35 -0.13 0.00 -1.58 0.00 0.00 42.46 37.39 3h3l s ILE 46 CO 0.00 0.52 1.32 -2.65 -1.23 0.00 0.00 174.94 172.90 3h3l n PRO 47 N 2.86 1.89 0.15 2.79 -0.02 -1.26 -0.60 135.00 140.81 3h3l n PRO 47 Ca -0.18 0.67 0.12 0.00 -2.02 0.00 0.00 63.50 62.09 3h3l n PRO 47 Cb 0.53 -2.27 0.14 0.00 -0.02 0.00 0.00 33.50 31.88 3h3l n PRO 47 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3h3l h THR 48 N 2.80 0.00 -4.33 3.45 1.35 -1.65 -3.45 112.91 111.08 3h3l h THR 48 Ca -0.44 -0.90 -0.43 0.00 -0.55 0.00 0.00 66.41 64.09 3h3l h THR 48 Cb 1.29 1.68 0.14 0.00 -1.73 0.00 0.00 68.15 69.53 3h3l h THR 48 CO 0.71 0.00 0.31 0.61 -0.25 0.00 0.00 175.52 176.90 3h3l n GLY 49 N 1.17 -0.80 0.00 5.82 0.00 -1.26 -5.05 105.19 105.07 3h3l n GLY 49 Ca 0.03 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3h3l n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3l n GLY 50 N -3.08 2.71 3.41 -0.02 0.00 -1.26 -4.99 105.19 101.97 3h3l n GLY 50 Ca 0.16 -2.08 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 3h3l n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h3l s GLU 51 N -2.35 3.52 0.08 1.61 8.01 -1.26 -5.06 118.70 123.24 3h3l s GLU 51 Ca 0.00 -0.59 -0.31 0.00 0.01 0.00 0.00 54.97 54.08 3h3l s GLU 51 Cb 0.00 -2.87 -0.06 0.00 -4.31 0.00 0.00 34.13 26.89 3h3l s GLU 51 CO 0.00 0.11 1.20 -1.58 0.01 0.00 0.00 175.26 175.00 3h3l s TRP 52 N 0.67 3.44 -0.24 1.61 0.52 -1.26 -4.30 118.94 119.37 3h3l s TRP 52 Ca -0.03 1.32 -0.09 0.00 0.02 0.00 0.00 56.10 57.32 3h3l s TRP 52 Cb -0.15 -3.42 -0.04 0.00 -1.15 0.00 0.00 33.47 28.71 3h3l s TRP 52 CO 0.02 -1.27 0.11 0.42 0.02 0.00 0.00 176.95 176.26 3h3l s ILE 53 N 0.89 4.80 1.02 2.03 1.01 0.78 -4.95 121.20 126.76 3h3l s ILE 53 Ca 0.58 -0.01 -0.17 0.00 0.00 0.00 0.00 60.65 61.05 3h3l s ILE 53 Cb -0.30 -3.24 0.22 0.00 0.01 0.00 0.00 42.46 39.15 3h3l s ILE 53 CO 0.30 0.34 1.29 -0.89 0.00 0.00 0.00 174.94 175.98 3h3l s THR 54 N 1.35 1.92 -0.07 2.92 2.01 -1.26 -1.42 115.64 121.09 3h3l s THR 54 Ca 0.06 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.94 3h3l s THR 54 Cb -0.15 -2.91 -0.06 0.00 0.01 0.00 0.00 72.50 69.40 3h3l s THR 54 CO 0.05 0.00 0.37 0.33 -0.69 0.00 0.00 174.62 174.69 3h3l n PHE 56 N -3.98 0.34 1.82 4.92 7.35 -1.22 -4.98 117.46 121.70 3h3l n PHE 56 Ca 0.15 0.31 0.13 0.00 -0.76 0.00 0.00 57.45 57.28 3h3l n PHE 56 Cb 0.59 -0.60 0.70 0.00 0.35 0.00 0.00 39.48 40.52 3h3l n PHE 56 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 3h3l n ASP 57 N 0.78 0.48 0.00 -2.13 5.68 -1.26 -4.74 116.55 115.35 3h3l n ASP 57 Ca 0.07 -1.29 0.00 0.00 -0.50 0.00 0.00 54.79 53.07 3h3l n ASP 57 Cb 0.00 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 3h3l n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h3l n GLY 58 N 0.99 1.75 0.23 6.12 0.00 -1.26 -4.78 105.19 108.23 3h3l n GLY 58 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3h3l n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h3l n LYS 59 N -2.00 0.00 -4.52 1.61 5.02 -1.26 -4.28 118.16 112.73 3h3l n LYS 59 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 3h3l n LYS 59 Cb 0.00 -0.61 -0.09 0.00 -0.02 0.00 0.00 35.03 34.31 3h3l n LYS 59 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3h3l s THR 60 N -1.44 0.91 -0.36 -0.18 -4.23 -1.26 -4.80 115.64 104.27 3h3l s THR 60 Ca 0.00 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.60 3h3l s THR 60 Cb 0.00 -2.51 0.66 0.00 1.34 0.00 0.00 72.50 71.99 3h3l s THR 60 CO 0.00 0.00 1.66 0.18 -0.54 0.00 0.00 174.62 175.92 3h3l n LEU 61 N -0.86 5.55 -4.67 4.79 4.77 -1.26 -4.45 117.00 120.87 3h3l n LEU 61 Ca -0.06 -2.88 -0.46 0.00 -0.03 0.00 0.00 56.01 52.58 3h3l n LEU 61 Cb 0.66 -0.71 -0.04 0.00 -2.33 0.00 0.00 43.42 41.00 3h3l n LEU 61 CO 0.39 0.73 1.10 0.59 -1.33 0.00 0.00 177.39 178.87 3h3l n ASN 62 N -0.04 2.86 0.00 -1.43 3.02 -1.26 -1.17 115.26 117.24 3h3l n ASN 62 Ca 0.35 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 56.01 3h3l n ASN 62 Cb 1.25 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 3h3l n ASN 62 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h3l n GLY 63 N 2.79 0.93 3.52 7.41 0.00 -1.26 -4.79 105.19 113.79 3h3l n GLY 63 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 3h3l n GLY 63 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h3l s TRP 64 N -2.27 2.52 0.23 1.61 0.52 -0.32 -0.42 118.94 120.81 3h3l s TRP 64 Ca 0.00 -0.27 -0.17 0.00 0.02 0.00 0.00 56.10 55.68 3h3l s TRP 64 Cb 0.00 -1.23 0.02 0.00 -1.15 0.00 0.00 33.47 31.11 3h3l s TRP 64 CO 0.00 0.51 0.57 -0.98 0.02 0.00 0.00 176.95 177.07 3h3l s ARG 65 N -2.80 1.55 0.45 4.98 1.70 -0.20 -4.80 118.95 119.83 3h3l s ARG 65 Ca 0.24 -1.02 -0.23 0.00 -0.47 0.00 0.00 55.73 54.25 3h3l s ARG 65 Cb -0.08 0.53 -0.08 0.00 -0.57 0.00 0.00 34.95 34.75 3h3l s ARG 65 CO 0.13 -0.67 1.13 0.20 -1.08 0.00 0.00 175.30 175.02 3h3l s GLY 66 N -2.93 2.75 0.05 3.88 0.00 0.06 -0.40 107.32 110.74 3h3l s GLY 66 Ca 0.14 0.87 -0.33 0.00 0.00 0.00 0.00 44.72 45.39 3h3l s GLY 66 CO 0.03 1.31 1.76 2.98 0.00 0.00 0.00 173.10 179.19 3h3l n TYR 67 N -0.45 2.38 -2.67 1.90 9.36 0.40 -1.77 117.16 126.30 3h3l n TYR 67 Ca 0.07 0.05 -0.20 0.00 3.32 0.00 0.00 57.90 61.14 3h3l n TYR 67 Cb 0.49 -2.64 0.01 0.00 -0.63 0.00 0.00 39.34 36.56 3h3l n TYR 67 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3h3l s ARG 69 N -5.32 0.55 0.16 0.00 0.52 -0.73 -5.05 118.95 109.09 3h3l s ARG 69 Ca 0.12 -1.00 0.23 0.00 -0.52 0.00 0.00 55.73 54.56 3h3l s ARG 69 Cb -0.06 0.20 0.11 0.00 0.52 0.00 0.00 34.95 35.72 3h3l s ARG 69 CO 0.15 -0.11 1.13 1.96 0.02 0.00 0.00 175.30 178.45 3h3l h GLN 70 N 3.53 0.00 0.00 3.54 1.08 -1.95 -3.36 115.11 117.96 3h3l h GLN 70 Ca -0.33 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 56.50 3h3l h GLN 70 Cb 1.17 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.54 3h3l h GLN 70 CO 0.58 0.00 -0.24 -0.40 -0.95 0.00 0.00 178.83 177.82 3h3l n ASP 71 N -2.43 2.55 -4.75 1.46 5.75 -1.26 -4.82 116.55 113.05 3h3l n ASP 71 Ca 0.01 -2.21 -0.35 0.00 -0.01 0.00 0.00 54.79 52.23 3h3l n ASP 71 Cb 0.50 0.13 -0.08 0.00 -1.03 0.00 0.00 41.12 40.65 3h3l n ASP 71 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3h3l s VAL 72 N -1.89 5.31 0.58 2.12 1.01 -1.26 -0.76 120.40 125.50 3h3l s VAL 72 Ca 0.06 0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.99 3h3l s VAL 72 Cb -0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 3h3l s VAL 72 CO 0.04 0.49 1.21 -2.84 0.00 0.00 0.00 175.10 173.99 3h3l s PRO 73 N 0.04 3.07 0.41 2.72 0.02 -1.26 -4.92 135.00 135.08 3h3l s PRO 73 Ca 0.09 1.84 0.13 0.00 0.02 0.00 0.00 61.00 63.08 3h3l s PRO 73 Cb -0.11 -1.99 0.98 0.00 0.02 0.00 0.00 34.50 33.40 3h3l s PRO 73 CO -0.00 -1.13 1.93 -0.07 -0.33 0.00 0.00 177.00 177.40 3h3l h LEU 74 N 1.04 0.45 -1.20 -5.54 3.38 -1.97 -2.34 115.31 109.13 3h3l h LEU 74 Ca -0.50 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3h3l h LEU 74 Cb 1.29 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3h3l h LEU 74 CO 0.56 0.25 0.00 1.23 0.09 0.00 0.00 178.44 180.56 3h3l h GLY 75 N 0.49 0.00 -6.45 0.83 0.00 -1.91 -3.44 103.07 92.58 3h3l h GLY 75 Ca 0.35 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 47.08 3h3l h GLY 75 CO -0.12 0.00 -0.32 -0.98 0.00 0.00 0.00 176.54 175.12 3h3l s TRP 76 N -3.52 3.38 0.07 5.60 0.52 -0.88 0.08 118.94 124.18 3h3l s TRP 76 Ca 0.02 0.49 -0.02 0.00 0.02 0.00 0.00 56.10 56.62 3h3l s TRP 76 Cb 0.09 -2.40 -0.04 0.00 -1.15 0.00 0.00 33.47 29.98 3h3l s TRP 76 CO 0.43 0.08 0.01 0.14 0.02 0.00 0.00 176.95 177.64 3h3l s VAL 77 N 1.00 0.19 -0.23 4.03 -7.23 -0.36 -4.89 120.40 112.91 3h3l s VAL 77 Ca 0.15 -1.78 -0.15 0.00 -1.81 0.00 0.00 61.98 58.39 3h3l s VAL 77 Cb -0.14 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 3h3l s VAL 77 CO 0.06 -0.86 0.36 -0.69 -0.31 0.00 0.00 175.10 173.65 3h3l s VAL 78 N -3.94 5.21 -0.06 1.32 1.01 -1.26 -0.91 120.40 121.77 3h3l s VAL 78 Ca 0.10 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.68 3h3l s VAL 78 Cb 0.08 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.79 3h3l s VAL 78 CO -0.08 0.22 -0.05 -0.70 0.00 0.00 0.00 175.10 174.50 3h3l s GLU 79 N 1.61 0.92 -1.51 2.72 2.12 -0.26 -4.87 118.70 119.43 3h3l s GLU 79 Ca 0.16 -0.10 -0.11 0.00 0.36 0.00 0.00 54.97 55.28 3h3l s GLU 79 Cb -0.15 -0.98 0.07 0.00 0.26 0.00 0.00 34.13 33.33 3h3l s GLU 79 CO 0.08 -0.13 0.83 -0.25 -0.54 0.00 0.00 175.26 175.26 3h3l n ASP 80 N 4.32 -3.38 -0.06 -1.70 10.43 -1.26 -1.96 116.55 122.94 3h3l n ASP 80 Ca -0.20 -0.85 -0.01 0.00 2.57 0.00 0.00 54.79 56.30 3h3l n ASP 80 Cb 0.51 -3.62 -0.00 0.00 1.84 0.00 0.00 41.12 39.85 3h3l n ASP 80 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3h3l n GLY 81 N -1.66 0.48 3.12 0.44 0.00 -1.26 -5.03 105.19 101.28 3h3l n GLY 81 Ca -0.05 -0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 3h3l n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h3l s SER 82 N -2.26 1.34 0.03 1.61 0.01 -0.83 -4.79 113.70 108.80 3h3l s SER 82 Ca 0.00 -0.52 -0.30 0.00 1.31 0.00 0.00 55.95 56.44 3h3l s SER 82 Cb 0.00 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.15 3h3l s SER 82 CO 0.00 -0.08 0.99 -0.63 0.41 0.00 0.00 173.24 173.93 3h3l s ILE 83 N -1.13 4.72 -0.01 1.44 1.01 0.24 -1.10 121.20 126.37 3h3l s ILE 83 Ca -0.03 2.01 -0.12 0.00 0.00 0.00 0.00 60.65 62.51 3h3l s ILE 83 Cb -0.09 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 38.11 3h3l s ILE 83 CO 0.01 0.19 0.25 0.28 0.00 0.00 0.00 174.94 175.68 3h3l s THR 84 N 0.78 0.06 -0.59 2.92 -1.32 -0.09 -0.45 115.64 116.96 3h3l s THR 84 Ca 0.51 -0.52 -0.23 0.00 -1.21 0.00 0.00 61.69 60.24 3h3l s THR 84 Cb -0.22 -0.55 0.05 0.00 -1.51 0.00 0.00 72.50 70.27 3h3l s THR 84 CO 0.29 -0.29 0.92 -0.47 -2.21 0.00 0.00 174.62 172.86 3h3l s TYR 85 N -1.28 2.76 -0.13 9.09 5.04 -1.26 -1.22 117.35 130.36 3h3l s TYR 85 Ca -0.13 -0.27 0.16 0.00 -2.44 0.00 0.00 57.07 54.39 3h3l s TYR 85 Cb -0.06 -4.11 -0.09 0.00 0.35 0.00 0.00 41.96 38.05 3h3l s TYR 85 CO 0.03 -1.45 0.97 0.87 -1.34 0.00 0.00 175.55 174.64 3h3l h LYS 86 N 9.39 0.00 0.00 4.97 1.79 -0.70 -3.38 116.57 128.64 3h3l h LYS 86 Ca -0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 3h3l h LYS 86 Cb 1.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 3h3l h LYS 86 CO 1.11 0.34 0.00 0.41 -1.08 0.00 0.00 179.45 180.24 3h3l n GLY 87 N 1.35 -1.20 3.11 3.86 0.00 -0.96 -5.03 105.19 106.32 3h3l n GLY 87 Ca -0.07 -1.61 -0.14 0.00 0.00 0.00 0.00 46.02 44.20 3h3l n GLY 87 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h3l s SER 88 N -3.65 1.12 0.00 1.61 0.15 -1.26 -4.36 113.70 107.32 3h3l s SER 88 Ca 0.00 -0.62 0.31 0.00 0.70 0.00 0.00 55.95 56.33 3h3l s SER 88 Cb 0.00 0.02 1.64 0.00 -1.71 0.00 0.00 66.02 65.97 3h3l s SER 88 CO 0.00 -0.20 2.08 -0.90 1.20 0.00 0.00 173.24 175.42 3h3l n ASP 89 N 1.22 0.42 0.00 5.45 5.75 -1.26 -5.02 116.55 123.12 3h3l n ASP 89 Ca -0.21 -1.10 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 3h3l n ASP 89 Cb 0.55 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 3h3l n ASP 89 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3h3l n ASN 90 N -0.69 0.00 -4.58 -1.12 0.23 -1.26 -5.28 115.26 102.56 3h3l n ASN 90 Ca 0.22 0.00 -0.38 0.00 -0.53 0.00 0.00 54.58 53.89 3h3l n ASN 90 Cb 0.19 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 37.93 3h3l n ASN 90 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 3h3l n PHE 96 N 0.00 0.54 -0.77 -2.53 3.72 -1.26 -5.18 117.46 111.97 3h3l n PHE 96 Ca 0.00 0.46 0.02 0.00 -0.05 0.00 0.00 57.45 57.87 3h3l n PHE 96 Cb 0.00 -2.11 0.02 0.00 -0.94 0.00 0.00 39.48 36.45 3h3l n PHE 96 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h3l n GLY 97 N 1.38 0.93 3.78 1.37 0.00 -1.26 -4.73 105.19 106.67 3h3l n GLY 97 Ca 0.12 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 3h3l n GLY 97 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h3l s ASP 98 N -0.95 5.32 -0.18 1.61 1.11 -1.26 -4.55 116.67 117.77 3h3l s ASP 98 Ca 0.05 1.95 -0.03 0.00 0.18 0.00 0.00 52.55 54.70 3h3l s ASP 98 Cb 0.04 -2.55 -0.02 0.00 1.07 0.00 0.00 42.92 41.47 3h3l s ASP 98 CO 0.00 -1.48 -0.05 -0.22 1.18 0.00 0.00 175.17 174.60 3h3l s LEU 99 N -4.73 3.05 0.14 1.23 2.96 -1.26 -0.46 118.68 119.61 3h3l s LEU 99 Ca 0.66 -0.25 0.09 0.00 -0.22 0.00 0.00 54.13 54.41 3h3l s LEU 99 Cb -0.19 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 3h3l s LEU 99 CO 0.40 0.10 -0.17 0.27 -1.32 0.00 0.00 176.35 175.62 3h3l s ILE 100 N 0.78 2.82 0.11 6.68 -4.36 0.47 -4.27 121.20 123.44 3h3l s ILE 100 Ca -0.02 -1.63 -0.28 0.00 -0.26 0.00 0.00 60.65 58.46 3h3l s ILE 100 Cb -0.15 -2.33 -0.06 0.00 1.25 0.00 0.00 42.46 41.17 3h3l s ILE 100 CO 0.02 0.02 0.89 -0.47 0.24 0.00 0.00 174.94 175.63 3h3l s TYR 101 N -1.35 3.82 -1.48 1.37 5.04 -0.44 -1.03 117.35 123.27 3h3l s TYR 101 Ca 0.20 1.71 -0.08 0.00 -2.44 0.00 0.00 57.07 56.45 3h3l s TYR 101 Cb -0.10 -2.96 0.02 0.00 0.35 0.00 0.00 41.96 39.27 3h3l s TYR 101 CO 0.11 0.28 2.63 -3.47 -1.34 0.00 0.00 175.55 173.76 3h3l n ASP 102 N 2.56 7.98 -3.64 4.32 2.03 0.44 -4.59 116.55 125.65 3h3l n ASP 102 Ca -0.00 -2.85 -0.07 0.00 0.52 0.00 0.00 54.79 52.40 3h3l n ASP 102 Cb 0.49 -1.48 -0.07 0.00 -0.72 0.00 0.00 41.12 39.34 3h3l n ASP 102 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3h3l s LYS 103 N 0.81 0.54 0.28 -0.67 2.20 -1.26 -5.04 119.74 116.61 3h3l s LYS 103 Ca 0.61 0.82 -0.24 0.00 -0.36 0.00 0.00 55.97 56.79 3h3l s LYS 103 Cb 0.17 0.18 -0.09 0.00 -1.51 0.00 0.00 37.83 36.58 3h3l s LYS 103 CO -0.07 -0.09 0.86 0.15 -0.36 0.00 0.00 175.35 175.84 3h3l s LYS 104 N 0.99 4.46 0.14 4.03 1.02 -1.26 -4.61 119.74 124.51 3h3l s LYS 104 Ca -0.05 1.16 0.05 0.00 0.02 0.00 0.00 55.97 57.15 3h3l s LYS 104 Cb -0.04 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 3h3l s LYS 104 CO -0.12 0.32 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.46 3h3l s PHE 105 N -1.58 1.32 0.06 3.18 0.08 0.04 -4.85 117.98 116.24 3h3l s PHE 105 Ca 0.47 -0.68 0.00 0.00 0.12 0.00 0.00 56.93 56.85 3h3l s PHE 105 Cb -0.18 -0.67 0.00 0.00 -0.57 0.00 0.00 43.02 41.60 3h3l s PHE 105 CO 0.23 0.12 0.00 1.17 -0.10 0.00 0.00 175.22 176.64 3h3l n LYS 106 N 0.03 0.00 -3.85 0.44 3.00 -1.26 -0.81 118.16 115.71 3h3l n LYS 106 Ca -0.12 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.83 3h3l n LYS 106 Cb 0.59 -0.09 -0.12 0.00 0.00 0.00 0.00 35.03 35.41 3h3l n LYS 106 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3h3l s ASN 107 N -4.87 5.04 0.12 3.14 0.01 -1.26 -4.70 114.94 112.41 3h3l s ASN 107 Ca 0.00 -0.20 -0.25 0.00 -0.71 0.00 0.00 52.86 51.70 3h3l s ASN 107 Cb 0.00 -1.89 0.07 0.00 0.41 0.00 0.00 41.25 39.84 3h3l s ASN 107 CO 0.00 0.00 0.77 0.72 -1.51 0.00 0.00 177.10 177.08 3h3l s PHE 108 N 1.38 -0.36 -0.23 2.20 -0.12 0.15 -0.81 117.98 120.19 3h3l s PHE 108 Ca 0.05 0.13 0.00 0.00 -0.05 0.00 0.00 56.93 57.06 3h3l s PHE 108 Cb -0.15 0.58 0.03 0.00 -0.63 0.00 0.00 43.02 42.86 3h3l s PHE 108 CO 0.03 -0.79 -0.11 0.08 -0.05 0.00 0.00 175.22 174.37 3h3l s VAL 109 N -3.48 2.48 -0.12 -2.49 1.01 0.42 -1.44 120.40 116.78 3h3l s VAL 109 Ca 0.05 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 3h3l s VAL 109 Cb -0.02 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 3h3l s VAL 109 CO -0.07 0.26 -0.07 0.12 0.00 0.00 0.00 175.10 175.35 3h3l s PHE 110 N 1.27 2.94 0.01 5.22 5.36 0.37 -0.89 117.98 132.25 3h3l s PHE 110 Ca -0.00 -0.29 0.06 0.00 -0.96 0.00 0.00 56.93 55.74 3h3l s PHE 110 Cb -0.16 -1.85 -0.02 0.00 -0.34 0.00 0.00 43.02 40.65 3h3l s PHE 110 CO -0.07 0.03 -0.19 -1.21 -1.46 0.00 0.00 175.22 172.32 3h3l s GLU 111 N -0.00 1.41 -0.16 10.12 2.02 0.04 -0.84 118.70 131.28 3h3l s GLU 111 Ca -0.01 -0.74 -0.21 0.00 0.02 0.00 0.00 54.97 54.03 3h3l s GLU 111 Cb -0.14 -1.41 0.05 0.00 0.10 0.00 0.00 34.13 32.74 3h3l s GLU 111 CO 0.03 0.38 0.55 -1.50 0.02 0.00 0.00 175.26 174.74 3h3l s ILE 112 N -0.57 0.01 -0.07 -1.63 2.07 -0.45 -1.68 121.20 118.88 3h3l s ILE 112 Ca 0.07 -0.06 -0.01 0.00 -1.41 0.00 0.00 60.65 59.24 3h3l s ILE 112 Cb -0.08 -0.80 -0.03 0.00 0.13 0.00 0.00 42.46 41.68 3h3l s ILE 112 CO 0.00 -0.03 -0.02 -1.61 -1.91 0.00 0.00 174.94 171.37 3h3l s GLU 113 N -0.17 2.88 0.03 3.50 2.02 0.02 -0.19 118.70 126.80 3h3l s GLU 113 Ca -0.04 -0.48 -0.03 0.00 0.02 0.00 0.00 54.97 54.44 3h3l s GLU 113 Cb -0.03 -2.71 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 3h3l s GLU 113 CO 0.03 0.68 0.05 1.67 0.02 0.00 0.00 175.26 177.70 3h3l s TRP 114 N -0.89 0.26 -0.01 1.61 1.48 -0.42 -1.21 118.94 119.75 3h3l s TRP 114 Ca 0.14 -0.59 0.00 0.00 -1.06 0.00 0.00 56.10 54.59 3h3l s TRP 114 Cb -0.11 -0.19 0.01 0.00 -1.16 0.00 0.00 33.47 32.02 3h3l s TRP 114 CO 0.03 -0.32 0.01 0.21 -4.06 0.00 0.00 176.95 172.81 3h3l s LYS 115 N -2.51 0.07 0.06 3.25 2.20 -0.68 -0.41 119.74 121.73 3h3l s LYS 115 Ca -0.06 0.06 0.09 0.00 -0.36 0.00 0.00 55.97 55.70 3h3l s LYS 115 Cb -0.02 -0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.08 3h3l s LYS 115 CO -0.04 -0.07 -0.24 -1.50 -0.36 0.00 0.00 175.35 173.14 3h3l s ILE 116 N 0.49 2.37 0.62 5.43 2.07 -1.26 -1.08 121.20 129.84 3h3l s ILE 116 Ca -0.04 -1.40 -0.03 0.00 -1.41 0.00 0.00 60.65 57.77 3h3l s ILE 116 Cb -0.07 -1.97 0.04 0.00 0.13 0.00 0.00 42.46 40.59 3h3l s ILE 116 CO -0.01 0.30 0.88 -1.81 -1.91 0.00 0.00 174.94 172.39 3h3l s ASP 117 N -1.47 5.13 0.20 4.50 1.01 -0.29 -0.32 116.67 125.43 3h3l s ASP 117 Ca 0.13 0.27 -0.33 0.00 0.71 0.00 0.00 52.55 53.33 3h3l s ASP 117 Cb -0.10 -1.08 -0.14 0.00 1.01 0.00 0.00 42.92 42.61 3h3l s ASP 117 CO 0.04 -1.31 1.40 1.17 0.21 0.00 0.00 175.17 176.68 3h3l n LYS 118 N -2.60 1.83 -1.40 8.23 4.81 -1.26 -1.63 118.16 126.14 3h3l n LYS 118 Ca 0.07 0.66 -0.14 0.00 -0.87 0.00 0.00 58.31 58.03 3h3l n LYS 118 Cb 0.60 -2.31 -0.06 0.00 0.02 0.00 0.00 35.03 33.28 3h3l n LYS 118 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3h3l n ALA 119 N 2.24 -0.21 -1.63 3.14 0.00 -1.26 -4.99 120.51 117.80 3h3l n ALA 119 Ca 0.14 0.22 -0.31 0.00 0.00 0.00 0.00 53.44 53.49 3h3l n ALA 119 Cb 0.29 -1.84 0.04 0.00 0.00 0.00 0.00 19.45 17.94 3h3l n ALA 119 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3h3l s GLY 120 N -2.53 1.66 -0.06 0.00 0.00 -0.65 -4.84 107.32 100.91 3h3l s GLY 120 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 44.72 44.63 3h3l s GLY 120 CO 0.00 0.35 0.30 0.54 0.00 0.00 0.00 173.10 174.29 3h3l s ASN 121 N -3.87 -0.24 0.00 1.64 2.20 -1.26 -2.05 114.94 111.36 3h3l s ASN 121 Ca 0.58 0.29 0.00 0.00 -0.94 0.00 0.00 52.86 52.79 3h3l s ASN 121 Cb -0.13 0.45 0.00 0.00 -2.00 0.00 0.00 41.25 39.56 3h3l s ASN 121 CO 0.55 -0.31 0.00 -0.24 -2.94 0.00 0.00 177.10 174.16 3h3l n SER 122 N 1.94 0.00 0.00 3.54 2.88 -0.19 -4.10 113.62 117.69 3h3l n SER 122 Ca -0.18 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 3h3l n SER 122 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 3h3l n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h3l n GLY 123 N 0.00 0.99 3.25 0.46 0.00 -1.26 -1.69 105.19 106.94 3h3l n GLY 123 Ca 0.00 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 3h3l n GLY 123 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h3l s ILE 124 N -2.00 2.37 0.06 -0.61 1.01 -0.41 -1.36 121.20 120.26 3h3l s ILE 124 Ca 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.77 3h3l s ILE 124 Cb 0.00 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 3h3l s ILE 124 CO 0.00 0.54 0.12 -0.36 0.00 0.00 0.00 174.94 175.24 3h3l s PHE 125 N 0.54 3.31 0.00 3.97 0.08 0.47 -0.57 117.98 125.77 3h3l s PHE 125 Ca -0.12 0.16 0.00 0.00 0.12 0.00 0.00 56.93 57.09 3h3l s PHE 125 Cb -0.17 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.60 3h3l s PHE 125 CO 0.04 0.55 0.14 2.48 -0.10 0.00 0.00 175.22 178.33 3h3l n TYR 126 N 0.55 0.00 -1.97 0.36 4.11 -1.24 -1.27 117.16 117.70 3h3l n TYR 126 Ca -0.08 0.00 0.04 0.00 -0.00 0.00 0.00 57.90 57.85 3h3l n TYR 126 Cb 0.52 0.01 0.05 0.00 -0.00 0.00 0.00 39.34 39.92 3h3l n TYR 126 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 3h3l n THR 127 N 0.00 0.56 -2.26 -3.48 -2.24 -1.12 -4.52 114.28 101.22 3h3l n THR 127 Ca 0.00 -1.08 -0.39 0.00 -2.27 0.00 0.00 64.05 60.30 3h3l n THR 127 Cb 0.33 0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 69.00 3h3l n THR 127 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h3l s ALA 128 N -0.84 3.28 -0.07 6.98 0.00 -0.47 -4.34 121.76 126.29 3h3l s ALA 128 Ca 0.21 1.05 -0.04 0.00 0.00 0.00 0.00 51.96 53.17 3h3l s ALA 128 Cb 0.22 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 3h3l s ALA 128 CO -0.06 -0.52 0.13 -0.65 0.00 0.00 0.00 175.76 174.66 3h3l s GLN 129 N -2.04 3.34 -0.51 0.00 -1.52 -1.26 -0.59 119.66 117.09 3h3l s GLN 129 Ca 0.53 -0.25 -0.25 0.00 -1.95 0.00 0.00 55.36 53.44 3h3l s GLN 129 Cb -0.34 -3.08 0.03 0.00 -0.22 0.00 0.00 33.01 29.41 3h3l s GLN 129 CO 0.43 0.73 0.94 -1.21 -0.25 0.00 0.00 175.29 175.93 3h3l s GLU 130 N -1.35 3.43 -0.19 2.91 2.02 -1.26 -4.87 118.70 119.40 3h3l s GLU 130 Ca 0.19 -0.05 -0.00 0.00 0.02 0.00 0.00 54.97 55.13 3h3l s GLU 130 Cb -0.12 -3.99 0.05 0.00 0.10 0.00 0.00 34.13 30.17 3h3l s GLU 130 CO 0.09 -1.36 -0.05 0.42 0.02 0.00 0.00 175.26 174.38 3h3l s ILE 131 N 3.88 1.18 0.17 -1.63 1.01 -1.26 -5.06 121.20 119.49 3h3l s ILE 131 Ca 0.34 -0.78 -0.32 0.00 0.00 0.00 0.00 60.65 59.88 3h3l s ILE 131 Cb -0.11 -1.41 -0.12 0.00 0.01 0.00 0.00 42.46 40.83 3h3l s ILE 131 CO 0.23 0.05 1.73 -1.84 0.00 0.00 0.00 174.94 175.10 3h3l n GLU 132 N 4.83 2.63 -0.69 2.79 -0.00 -1.26 -1.63 120.64 127.31 3h3l n GLU 132 Ca -0.12 0.95 0.00 0.00 -0.00 0.00 0.00 57.16 57.99 3h3l n GLU 132 Cb 0.47 -2.79 0.00 0.00 -0.00 0.00 0.00 31.44 29.11 3h3l n GLU 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3h3l n GLY 133 N 3.94 1.14 3.28 -1.84 0.00 -1.26 -5.02 105.19 105.43 3h3l n GLY 133 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3h3l n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h3l s THR 134 N -3.50 2.54 0.66 2.61 2.01 -0.65 -5.11 115.64 114.20 3h3l s THR 134 Ca 0.00 -0.84 -0.18 0.00 0.31 0.00 0.00 61.69 60.99 3h3l s THR 134 Cb 0.00 -2.03 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 3h3l s THR 134 CO 0.00 0.54 1.25 -2.65 -0.69 0.00 0.00 174.62 173.07 3h3l n PRO 135 N 3.65 1.02 -0.16 4.92 -0.02 -1.26 -4.60 135.00 138.55 3h3l n PRO 135 Ca -0.19 0.40 0.12 0.00 -2.02 0.00 0.00 63.50 61.82 3h3l n PRO 135 Cb 0.53 -2.49 0.45 0.00 -0.02 0.00 0.00 33.50 31.97 3h3l n PRO 135 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3h3l h ILE 136 N 0.41 0.88 -0.00 4.25 2.10 -1.93 -2.35 117.51 120.87 3h3l h ILE 136 Ca -0.50 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.26 3h3l h ILE 136 Cb 1.34 0.31 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 3h3l h ILE 136 CO 0.52 0.10 -0.00 0.00 -1.08 0.00 0.00 178.15 177.69 3h3l n TYR 137 N -4.49 0.00 0.34 2.19 0.18 -1.26 -2.58 117.16 111.54 3h3l n TYR 137 Ca 0.13 0.00 0.14 0.00 1.88 0.00 0.00 57.90 60.04 3h3l n TYR 137 Cb 0.40 -0.07 0.41 0.00 -0.38 0.00 0.00 39.34 39.71 3h3l n TYR 137 CO 0.00 0.00 0.00 1.88 -2.08 0.00 0.00 176.86 176.66 3h3l h TYR 138 N 0.07 0.00 0.00 -3.48 -1.99 -1.78 -3.37 116.97 106.41 3h3l h TYR 138 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3h3l h TYR 138 Cb 0.08 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.81 3h3l h TYR 138 CO 0.00 0.00 -0.15 -1.13 -0.00 0.00 0.00 178.16 176.88 3h3l n SER 139 N -2.82 1.50 -3.68 3.88 3.41 -1.06 -4.66 113.62 110.18 3h3l n SER 139 Ca 0.03 -2.54 -0.14 0.00 -0.26 0.00 0.00 58.87 55.96 3h3l n SER 139 Cb 0.40 -0.29 -0.08 0.00 -0.26 0.00 0.00 64.21 63.98 3h3l n SER 139 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3h3l s SER 140 N -1.97 -0.44 0.65 4.04 0.15 -1.25 -3.96 113.70 110.92 3h3l s SER 140 Ca 0.17 0.64 -0.18 0.00 0.70 0.00 0.00 55.95 57.29 3h3l s SER 140 Cb 0.15 0.68 -0.01 0.00 -1.71 0.00 0.00 66.02 65.14 3h3l s SER 140 CO 0.02 -0.35 1.28 -2.16 1.20 0.00 0.00 173.24 173.22 3h3l s PRO 141 N -0.56 2.54 -0.19 5.44 0.04 -1.26 -4.80 135.00 136.21 3h3l s PRO 141 Ca -0.07 2.01 -0.03 0.00 0.04 0.00 0.00 61.00 62.94 3h3l s PRO 141 Cb -0.03 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 3h3l s PRO 141 CO 0.04 -1.59 -0.05 -2.00 0.04 0.00 0.00 177.00 173.44 3h3l s GLU 142 N -3.43 3.46 -0.69 4.56 2.12 -1.26 -4.03 118.70 119.43 3h3l s GLU 142 Ca 0.81 -0.60 -0.27 0.00 0.36 0.00 0.00 54.97 55.27 3h3l s GLU 142 Cb -0.36 -2.95 0.03 0.00 0.26 0.00 0.00 34.13 31.11 3h3l s GLU 142 CO 0.40 -0.04 1.29 -0.47 -0.54 0.00 0.00 175.26 175.89 3h3l s TYR 143 N 1.08 2.34 0.33 5.30 6.14 0.26 -0.76 117.35 132.04 3h3l s TYR 143 Ca 0.01 0.13 -0.29 0.00 0.64 0.00 0.00 57.07 57.56 3h3l s TYR 143 Cb -0.15 -4.57 -0.10 0.00 0.42 0.00 0.00 41.96 37.56 3h3l s TYR 143 CO -0.00 -1.96 1.35 -1.14 0.64 0.00 0.00 175.55 174.44 3h3l s GLN 144 N 5.59 4.30 -0.12 4.97 2.00 -0.41 -1.29 119.66 134.70 3h3l s GLN 144 Ca 0.39 2.29 0.03 0.00 -2.00 0.00 0.00 55.36 56.06 3h3l s GLN 144 Cb -0.08 -3.06 0.01 0.00 0.80 0.00 0.00 33.01 30.68 3h3l s GLN 144 CO 0.18 -0.27 -0.20 -0.51 -0.50 0.00 0.00 175.29 173.99 3h3l s LEU 145 N -1.69 1.98 -0.16 3.68 1.43 -0.68 -0.37 118.68 122.87 3h3l s LEU 145 Ca 0.51 -0.54 -0.21 0.00 -1.03 0.00 0.00 54.13 52.87 3h3l s LEU 145 Cb -0.41 -1.31 0.05 0.00 0.03 0.00 0.00 46.19 44.55 3h3l s LEU 145 CO 0.54 0.07 0.55 -0.22 0.23 0.00 0.00 176.35 177.52 3h3l s LEU 146 N 0.78 -0.09 -0.69 1.79 2.96 -1.26 -1.03 118.68 121.13 3h3l s LEU 146 Ca -0.09 0.94 -0.27 0.00 -0.22 0.00 0.00 54.13 54.49 3h3l s LEU 146 Cb -0.16 1.93 0.02 0.00 0.50 0.00 0.00 46.19 48.48 3h3l s LEU 146 CO 0.00 -0.29 1.44 -0.62 -1.32 0.00 0.00 176.35 175.57 3h3l s ASP 147 N -0.12 5.92 0.55 3.68 2.15 -0.87 -4.43 116.67 123.55 3h3l s ASP 147 Ca -0.03 -0.19 0.25 0.00 0.43 0.00 0.00 52.55 53.01 3h3l s ASP 147 Cb -0.03 -2.55 1.56 0.00 -0.30 0.00 0.00 42.92 41.59 3h3l s ASP 147 CO 0.03 -1.97 2.17 0.78 -0.17 0.00 0.00 175.17 176.01 3h3l h ASN 148 N 11.40 0.00 1.50 -0.34 2.35 -1.95 -2.88 115.58 125.65 3h3l h ASN 148 Ca -0.27 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.41 3h3l h ASN 148 Cb 1.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 3h3l h ASN 148 CO 1.26 0.05 -0.52 -0.33 -1.65 0.00 0.00 177.43 176.23 3h3l h GLU 149 N 0.00 0.00 -2.21 0.81 3.07 -2.00 -3.46 114.58 110.79 3h3l h GLU 149 Ca -0.00 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 58.28 3h3l h GLU 149 Cb 0.11 0.00 -0.39 0.00 -0.84 0.00 0.00 28.75 27.62 3h3l h GLU 149 CO 0.01 0.25 -0.95 0.09 -1.40 0.00 0.00 179.01 177.00 3h3l n ASN 150 N -3.07 0.78 0.00 1.42 3.02 -1.09 -5.07 115.26 111.24 3h3l n ASN 150 Ca 0.01 -2.76 0.00 0.00 -0.03 0.00 0.00 54.58 51.79 3h3l n ASN 150 Cb 0.66 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 3h3l n ASN 150 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3h3l n PRO 152 N 1.75 2.21 0.25 3.52 -0.04 -1.26 -4.64 135.00 136.79 3h3l n PRO 152 Ca 0.25 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.88 3h3l n PRO 152 Cb 0.48 -0.88 0.89 0.00 -0.04 0.00 0.00 33.50 33.96 3h3l n PRO 152 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 3h3l h ASP 153 N 0.00 0.00 -0.80 3.54 3.58 -1.96 -0.69 116.42 120.09 3h3l h ASP 153 Ca 0.00 0.00 0.18 0.00 0.42 0.00 0.00 57.03 57.63 3h3l h ASP 153 Cb 0.36 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 41.27 3h3l h ASP 153 CO 0.00 0.00 -0.08 0.00 -2.88 0.00 0.00 179.24 176.28 3h3l h ALA 154 N 1.83 0.72 0.00 -0.78 0.00 -1.89 -2.52 119.26 116.62 3h3l h ALA 154 Ca 0.05 0.28 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 3h3l h ALA 154 Cb 0.31 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3h3l h ALA 154 CO -0.00 -0.43 -0.77 0.11 0.00 0.00 0.00 179.25 178.15 3h3l h TRP 155 N 0.05 0.00 0.00 0.00 0.09 -1.49 -3.40 115.95 111.20 3h3l h TRP 155 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.40 3h3l h TRP 155 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.97 3h3l h TRP 155 CO -0.52 0.31 -0.30 0.93 0.09 0.00 0.00 178.44 178.95 3h3l h GLU 156 N 0.00 0.00 0.00 0.12 4.39 -1.17 -3.45 114.58 114.48 3h3l h GLU 156 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3h3l h GLU 156 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 3h3l h GLU 156 CO 0.03 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.29 3h3l n GLY 157 N 1.30 -1.40 3.19 -3.84 0.00 -1.17 -5.05 105.19 98.21 3h3l n GLY 157 Ca 0.04 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 3h3l n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3l n ASP 159 N 4.65 -5.83 0.00 0.00 2.03 -1.26 -1.97 116.55 114.17 3h3l n ASP 159 Ca -0.14 -0.61 0.00 0.00 0.52 0.00 0.00 54.79 54.55 3h3l n ASP 159 Cb 0.45 -4.69 0.00 0.00 -0.72 0.00 0.00 41.12 36.15 3h3l n ASP 159 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3h3l n GLY 160 N -1.91 0.75 0.00 0.27 0.00 -1.26 -4.96 105.19 98.09 3h3l n GLY 160 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 3h3l n GLY 160 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3h3l n ASN 161 N 0.00 0.00 -0.13 1.61 6.94 -0.83 -1.77 115.26 121.08 3h3l n ASN 161 Ca 0.00 -0.85 0.07 0.00 -0.02 0.00 0.00 54.58 53.78 3h3l n ASN 161 Cb 0.00 0.00 0.10 0.00 -2.36 0.00 0.00 39.78 37.52 3h3l n ASN 161 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3h3l n ARG 162 N -0.85 1.20 -2.36 -3.83 1.74 -1.26 -0.63 116.66 110.68 3h3l n ARG 162 Ca 0.11 -2.19 -0.25 0.00 -0.77 0.00 0.00 57.85 54.75 3h3l n ARG 162 Cb 0.05 -1.28 0.05 0.00 -1.02 0.00 0.00 32.46 30.27 3h3l n ARG 162 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3h3l s GLN 163 N -2.19 2.43 0.15 5.56 1.11 -0.73 -4.36 119.66 121.63 3h3l s GLN 163 Ca 0.23 -0.34 -0.34 0.00 0.01 0.00 0.00 55.36 54.93 3h3l s GLN 163 Cb 0.20 -2.27 -0.13 0.00 -1.01 0.00 0.00 33.01 29.80 3h3l s GLN 163 CO 0.02 -1.00 1.62 0.00 0.01 0.00 0.00 175.29 175.95 3h3l n ALA 164 N -2.71 1.57 0.00 6.09 0.00 -1.26 -1.67 120.51 122.53 3h3l n ALA 164 Ca 0.07 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3h3l n ALA 164 Cb 0.60 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.65 3h3l n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h3l n GLY 165 N 3.58 1.03 3.74 0.00 0.00 0.50 -4.76 105.19 109.28 3h3l n GLY 165 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3h3l n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3l s ALA 166 N -2.33 2.05 -0.45 4.61 0.00 -0.67 -4.62 121.76 120.36 3h3l s ALA 166 Ca 0.00 0.47 -0.27 0.00 0.00 0.00 0.00 51.96 52.15 3h3l s ALA 166 Cb 0.00 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.79 3h3l s ALA 166 CO 0.00 -2.00 1.03 0.08 0.00 0.00 0.00 175.76 174.88 3h3l s VAL 167 N -2.65 4.36 0.04 0.00 1.01 -0.46 -1.29 120.40 121.42 3h3l s VAL 167 Ca 0.65 1.09 -0.35 0.00 0.00 0.00 0.00 61.98 63.36 3h3l s VAL 167 Cb -0.20 -4.50 -0.14 0.00 0.00 0.00 0.00 36.38 31.53 3h3l s VAL 167 CO 0.53 -0.86 1.60 0.00 0.00 0.00 0.00 175.10 176.37 3h3l n TYR 168 N 7.41 2.07 -2.40 5.22 9.36 0.06 -1.68 117.16 137.20 3h3l n TYR 168 Ca 0.09 0.34 -0.15 0.00 3.32 0.00 0.00 57.90 61.50 3h3l n TYR 168 Cb 0.49 -2.50 -0.00 0.00 -0.63 0.00 0.00 39.34 36.69 3h3l n TYR 168 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3h3l n ASP 169 N 4.05 -4.63 -3.05 2.98 2.03 0.20 -4.80 116.55 113.32 3h3l n ASP 169 Ca 0.19 -0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.45 3h3l n ASP 169 Cb 0.25 -3.71 0.00 0.00 -0.72 0.00 0.00 41.12 36.94 3h3l n ASP 169 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3h3l n ILE 171 N -4.05 0.00 -4.85 5.18 5.41 -0.68 -4.46 119.36 115.91 3h3l n ILE 171 Ca -0.16 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.26 3h3l n ILE 171 Cb 0.63 -0.70 -0.13 0.00 -0.71 0.00 0.00 39.64 38.72 3h3l n ILE 171 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3h3l s PRO 173 N -1.80 2.67 -0.25 0.38 0.04 -1.26 -1.36 135.00 133.42 3h3l s PRO 173 Ca 0.00 -0.68 -0.03 0.00 0.04 0.00 0.00 61.00 60.32 3h3l s PRO 173 Cb 0.00 -2.44 0.14 0.00 0.04 0.00 0.00 34.50 32.24 3h3l s PRO 173 CO 0.00 0.56 0.44 0.34 0.04 0.00 0.00 177.00 178.38 3h3l s ASP 174 N -0.56 -0.25 1.09 6.66 -1.08 -0.10 -4.37 116.67 118.06 3h3l s ASP 174 Ca 0.08 0.55 -0.13 0.00 -0.52 0.00 0.00 52.55 52.54 3h3l s ASP 174 Cb -0.11 1.43 0.24 0.00 -1.46 0.00 0.00 42.92 43.01 3h3l s ASP 174 CO 0.01 -0.28 1.06 -2.84 0.52 0.00 0.00 175.17 173.65 3h3l s PRO 175 N 2.64 -0.28 -0.62 4.34 0.02 -1.26 -4.55 135.00 135.29 3h3l s PRO 175 Ca 0.11 0.60 -0.02 0.00 0.02 0.00 0.00 61.00 61.71 3h3l s PRO 175 Cb -0.15 -1.65 0.16 0.00 0.02 0.00 0.00 34.50 32.89 3h3l s PRO 175 CO -0.16 -3.23 0.42 -1.14 -0.33 0.00 0.00 177.00 172.55 3h3l s GLN 176 N -4.76 2.50 -0.10 5.54 2.00 -1.26 -4.70 119.66 118.88 3h3l s GLN 176 Ca 0.67 -2.58 0.14 0.00 -2.00 0.00 0.00 55.36 51.58 3h3l s GLN 176 Cb -0.21 -3.67 0.57 0.00 0.80 0.00 0.00 33.01 30.49 3h3l s GLN 176 CO 0.61 -1.17 1.43 -0.35 -0.50 0.00 0.00 175.29 175.31 3h3l n PRO 177 N 3.36 3.19 -1.79 1.67 -0.04 -1.26 -4.98 135.00 135.15 3h3l n PRO 177 Ca 0.08 -2.22 -0.41 0.00 -0.04 0.00 0.00 63.50 60.91 3h3l n PRO 177 Cb 0.37 -1.78 -0.00 0.00 -0.04 0.00 0.00 33.50 32.04 3h3l n PRO 177 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3h3l s VAL 178 N -1.83 2.03 0.50 0.52 0.11 -1.26 -4.84 120.40 115.63 3h3l s VAL 178 Ca 0.40 0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 59.42 3h3l s VAL 178 Cb 0.26 -3.02 -0.02 0.00 -1.53 0.00 0.00 36.38 32.07 3h3l s VAL 178 CO 0.18 0.01 0.80 -0.54 -3.33 0.00 0.00 175.10 172.22 3h3l s LYS 179 N -2.12 3.38 0.85 1.54 1.02 -1.26 -5.06 119.74 118.09 3h3l s LYS 179 Ca 0.53 0.12 -0.13 0.00 0.02 0.00 0.00 55.97 56.51 3h3l s LYS 179 Cb -0.47 -2.36 0.07 0.00 -0.52 0.00 0.00 37.83 34.55 3h3l s LYS 179 CO 0.63 -0.32 0.91 -2.30 -0.92 0.00 0.00 175.35 173.36 3h3l n PRO 180 N -2.32 -0.02 -1.63 -1.68 -0.02 -1.26 -4.86 135.00 123.21 3h3l n PRO 180 Ca 0.01 0.06 -0.40 0.00 -2.02 0.00 0.00 63.50 61.16 3h3l n PRO 180 Cb 0.56 -2.20 0.03 0.00 -0.02 0.00 0.00 33.50 31.86 3h3l n PRO 180 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3h3l n TYR 181 N -3.39 1.15 -0.87 6.00 0.18 -1.26 -2.13 117.16 116.82 3h3l n TYR 181 Ca 0.11 0.49 0.00 0.00 1.88 0.00 0.00 57.90 60.38 3h3l n TYR 181 Cb 0.51 -2.21 0.00 0.00 -0.38 0.00 0.00 39.34 37.26 3h3l n TYR 181 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3h3l n GLY 182 N 1.18 0.85 3.83 -7.48 0.00 0.57 -4.96 105.19 99.17 3h3l n GLY 182 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3h3l n GLY 182 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h3l s ASN 183 N -2.77 5.91 -0.09 1.61 -0.87 -0.91 -4.98 114.94 112.84 3h3l s ASN 183 Ca 0.00 0.19 -0.30 0.00 -1.57 0.00 0.00 52.86 51.19 3h3l s ASN 183 Cb 0.00 -1.74 -0.02 0.00 -0.02 0.00 0.00 41.25 39.47 3h3l s ASN 183 CO 0.00 0.25 1.06 0.26 -2.57 0.00 0.00 177.10 176.10 3h3l s TRP 184 N -1.28 3.42 0.03 2.20 0.52 -1.26 -4.39 118.94 118.18 3h3l s TRP 184 Ca 0.26 1.48 0.01 0.00 0.02 0.00 0.00 56.10 57.87 3h3l s TRP 184 Cb -0.12 -3.26 -0.04 0.00 -1.15 0.00 0.00 33.47 28.90 3h3l s TRP 184 CO 0.17 -0.54 0.08 -0.80 0.02 0.00 0.00 176.95 175.89 3h3l s ASN 185 N 1.20 5.64 -0.20 2.95 0.01 0.45 -4.94 114.94 120.05 3h3l s ASN 185 Ca 0.50 0.09 -0.06 0.00 -0.71 0.00 0.00 52.86 52.68 3h3l s ASN 185 Cb -0.20 -1.58 -0.03 0.00 0.41 0.00 0.00 41.25 39.85 3h3l s ASN 185 CO 0.19 0.23 0.02 -1.59 -1.51 0.00 0.00 177.10 174.44 3h3l s LYS 186 N -2.03 3.72 -0.04 -0.60 -2.85 -1.26 -1.31 119.74 115.37 3h3l s LYS 186 Ca 0.26 -0.47 0.04 0.00 -1.00 0.00 0.00 55.97 54.80 3h3l s LYS 186 Cb -0.12 -3.12 -0.03 0.00 -2.06 0.00 0.00 37.83 32.50 3h3l s LYS 186 CO 0.18 0.08 -0.16 0.99 0.10 0.00 0.00 175.35 176.54 3h3l s THR 187 N 0.84 2.92 -0.04 3.79 2.01 0.73 -0.28 115.64 125.62 3h3l s THR 187 Ca 0.02 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 61.25 3h3l s THR 187 Cb -0.14 -2.14 0.00 0.00 0.01 0.00 0.00 72.50 70.24 3h3l s THR 187 CO 0.02 0.58 -0.13 -0.60 -0.69 0.00 0.00 174.62 173.79 3h3l s ARG 188 N -0.76 1.48 -0.11 4.92 3.52 -1.08 -1.34 118.95 125.58 3h3l s ARG 188 Ca 0.12 -0.46 0.02 0.00 -0.13 0.00 0.00 55.73 55.27 3h3l s ARG 188 Cb -0.11 -1.30 0.01 0.00 -1.56 0.00 0.00 34.95 32.00 3h3l s ARG 188 CO 0.01 0.15 -0.16 0.42 -0.81 0.00 0.00 175.30 174.91 3h3l s ILE 189 N 0.22 1.54 -0.10 4.11 1.01 -0.02 -0.24 121.20 127.72 3h3l s ILE 189 Ca -0.06 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.94 3h3l s ILE 189 Cb -0.11 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 3h3l s ILE 189 CO 0.02 0.45 -0.17 -0.69 0.00 0.00 0.00 174.94 174.55 3h3l s VAL 190 N 0.92 2.75 -0.13 2.92 1.01 -0.45 -0.48 120.40 126.93 3h3l s VAL 190 Ca -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.12 3h3l s VAL 190 Cb -0.15 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.14 3h3l s VAL 190 CO -0.01 0.55 -0.13 -0.69 0.00 0.00 0.00 175.10 174.82 3h3l s VAL 191 N 0.09 1.43 -0.22 2.92 1.01 -0.52 -1.28 120.40 123.83 3h3l s VAL 191 Ca -0.07 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 3h3l s VAL 191 Cb -0.15 -1.35 0.10 0.00 0.00 0.00 0.00 36.38 34.98 3h3l s VAL 191 CO 0.05 0.43 0.25 -0.47 0.00 0.00 0.00 175.10 175.36 3h3l s TYR 192 N 1.44 -0.36 -1.39 5.22 5.04 0.24 -0.68 117.35 126.87 3h3l s TYR 192 Ca 0.03 0.26 -0.01 0.00 -2.44 0.00 0.00 57.07 54.90 3h3l s TYR 192 Cb -0.13 -0.32 0.01 0.00 0.35 0.00 0.00 41.96 41.87 3h3l s TYR 192 CO -0.08 -0.64 0.54 0.09 -1.34 0.00 0.00 175.55 174.11 3h3l n ASN 193 N 5.32 -0.88 0.00 4.32 3.02 -1.26 -1.45 115.26 124.34 3h3l n ASN 193 Ca -0.05 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 3h3l n ASN 193 Cb 0.49 -3.38 0.00 0.00 -0.61 0.00 0.00 39.78 36.28 3h3l n ASN 193 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h3l n GLN 194 N -4.37 0.00 -2.84 3.52 6.02 -1.26 -4.99 117.38 113.46 3h3l n GLN 194 Ca -0.28 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.31 3h3l n GLN 194 Cb 0.67 -3.16 -0.05 0.00 1.02 0.00 0.00 30.24 28.72 3h3l n GLN 194 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3h3l s ARG 195 N -0.33 4.63 -0.07 -1.09 3.52 -0.53 -0.59 118.95 124.50 3h3l s ARG 195 Ca 0.00 1.30 0.05 0.00 -0.13 0.00 0.00 55.73 56.95 3h3l s ARG 195 Cb 0.00 -3.35 -0.00 0.00 -1.56 0.00 0.00 34.95 30.03 3h3l s ARG 195 CO 0.00 0.30 -0.22 0.08 -0.81 0.00 0.00 175.30 174.64 3h3l s VAL 196 N -0.23 1.87 -0.07 7.11 1.01 0.41 -0.59 120.40 129.92 3h3l s VAL 196 Ca 0.43 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.48 3h3l s VAL 196 Cb -0.23 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.57 3h3l s VAL 196 CO 0.27 0.52 -0.11 -0.63 0.00 0.00 0.00 175.10 175.15 3h3l s ILE 197 N 0.06 1.10 -0.15 2.22 1.01 -0.40 -1.18 121.20 123.86 3h3l s ILE 197 Ca -0.08 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.02 3h3l s ILE 197 Cb -0.15 -1.02 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 3h3l s ILE 197 CO 0.05 0.35 0.19 -1.00 0.00 0.00 0.00 174.94 174.53 3h3l s HIS 198 N 0.79 3.51 0.00 3.97 3.76 -0.45 -1.34 115.29 125.54 3h3l s HIS 198 Ca -0.12 0.51 0.00 0.00 -0.15 0.00 0.00 55.06 55.29 3h3l s HIS 198 Cb -0.15 -2.13 0.00 0.00 1.11 0.00 0.00 32.58 31.41 3h3l s HIS 198 CO 0.02 0.47 0.00 0.66 -0.85 0.00 0.00 174.74 175.04 3h3l n TYR 199 N 2.84 0.00 -0.60 1.40 4.02 0.67 -1.01 117.16 124.48 3h3l n TYR 199 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 3h3l n TYR 199 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 3h3l n TYR 199 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3h3l n ASN 201 N -1.02 0.00 -1.64 7.72 3.02 0.61 -2.65 115.26 121.31 3h3l n ASN 201 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.37 3h3l n ASN 201 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 3h3l n ASN 201 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3h3l n ASP 202 N 0.09 -5.19 -4.03 6.41 8.00 -1.26 -5.00 116.55 115.57 3h3l n ASP 202 Ca 0.00 0.26 -0.23 0.00 0.71 0.00 0.00 54.79 55.53 3h3l n ASP 202 Cb 0.00 -4.27 -0.16 0.00 -0.02 0.00 0.00 41.12 36.68 3h3l n ASP 202 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3h3l s VAL 203 N -2.76 1.03 -0.01 2.53 1.01 -1.26 -5.11 120.40 115.83 3h3l s VAL 203 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 3h3l s VAL 203 Cb 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 3h3l s VAL 203 CO 0.00 0.32 1.32 -0.75 0.00 0.00 0.00 175.10 175.98 3h3l s LYS 204 N 0.34 4.32 -0.01 2.72 2.20 -1.26 -4.33 119.74 123.71 3h3l s LYS 204 Ca -0.07 1.85 0.10 0.00 -0.36 0.00 0.00 55.97 57.49 3h3l s LYS 204 Cb -0.12 -3.54 -0.16 0.00 -1.51 0.00 0.00 37.83 32.50 3h3l s LYS 204 CO 0.02 -0.51 0.24 0.44 -0.36 0.00 0.00 175.35 175.18 3h3l n ILE 205 N 4.58 0.00 -3.56 5.43 -5.35 -0.18 -4.30 119.36 115.98 3h3l n ILE 205 Ca 0.12 -0.24 -0.06 0.00 -0.27 0.00 0.00 62.75 62.30 3h3l n ILE 205 Cb 0.45 0.32 -0.02 0.00 -1.74 0.00 0.00 39.64 38.65 3h3l n ILE 205 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 3h3l s LEU 206 N -3.62 -0.25 -0.11 7.28 0.05 -1.21 -0.92 118.68 119.90 3h3l s LEU 206 Ca -0.03 -0.03 -0.16 0.00 0.05 0.00 0.00 54.13 53.95 3h3l s LEU 206 Cb 0.07 1.76 0.04 0.00 -2.05 0.00 0.00 46.19 46.01 3h3l s LEU 206 CO 0.42 -0.48 0.42 -0.70 -0.55 0.00 0.00 176.35 175.46 3h3l s GLU 207 N -2.84 0.60 0.38 1.48 2.12 -1.26 -1.34 118.70 117.84 3h3l s GLU 207 Ca 0.07 0.33 -0.15 0.00 0.36 0.00 0.00 54.97 55.59 3h3l s GLU 207 Cb -0.01 0.28 0.05 0.00 0.26 0.00 0.00 34.13 34.71 3h3l s GLU 207 CO -0.06 -0.12 0.76 -0.59 -0.54 0.00 0.00 175.26 174.70 3h3l s PHE 208 N -0.36 0.20 -0.08 5.30 -0.71 -0.33 -5.00 117.98 117.00 3h3l s PHE 208 Ca -0.05 -0.83 -0.01 0.00 -1.04 0.00 0.00 56.93 55.00 3h3l s PHE 208 Cb -0.03 0.75 0.03 0.00 -1.21 0.00 0.00 43.02 42.55 3h3l s PHE 208 CO 0.02 -1.52 -0.02 -1.14 -1.34 0.00 0.00 175.22 171.22 3h3l s GLN 209 N -2.43 0.85 0.85 1.99 2.00 -1.26 -0.44 119.66 121.22 3h3l s GLN 209 Ca 0.17 -0.01 -0.11 0.00 -2.00 0.00 0.00 55.36 53.41 3h3l s GLN 209 Cb -0.05 -1.09 0.11 0.00 0.80 0.00 0.00 33.01 32.78 3h3l s GLN 209 CO 0.12 -0.26 1.16 -0.06 -0.50 0.00 0.00 175.29 175.75 3h3l s PHE 210 N 1.75 1.84 -0.96 1.67 0.08 0.24 -3.96 117.98 118.64 3h3l s PHE 210 Ca 0.02 1.72 0.00 0.00 0.12 0.00 0.00 56.93 58.79 3h3l s PHE 210 Cb -0.13 -3.35 0.00 0.00 -0.57 0.00 0.00 43.02 38.98 3h3l s PHE 210 CO -0.05 -2.65 0.00 0.41 -0.10 0.00 0.00 175.22 172.83 3h3l n GLY 211 N 0.09 0.93 3.45 4.36 0.00 -1.26 -4.91 105.19 107.84 3h3l n GLY 211 Ca 0.12 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 3h3l n GLY 211 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h3l s THR 212 N -2.36 2.33 0.49 2.61 -4.23 -1.25 -5.04 115.64 108.18 3h3l s THR 212 Ca 0.00 -2.37 0.17 0.00 -1.18 0.00 0.00 61.69 58.31 3h3l s THR 212 Cb 0.00 -2.26 0.24 0.00 1.34 0.00 0.00 72.50 71.82 3h3l s THR 212 CO 0.00 -0.43 2.09 1.55 -0.54 0.00 0.00 174.62 177.28 3h3l h PRO 213 N 2.32 0.00 -0.47 3.99 0.13 -1.94 -1.65 132.00 134.38 3h3l h PRO 213 Ca -0.40 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 3h3l h PRO 213 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 3h3l h PRO 213 CO 0.61 0.08 0.23 0.28 -0.23 0.00 0.00 178.00 178.97 3h3l h VAL 214 N 0.00 1.19 -0.41 1.56 2.07 -1.96 0.50 116.25 119.19 3h3l h VAL 214 Ca -0.00 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.01 3h3l h VAL 214 Cb 0.15 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3h3l h VAL 214 CO 0.01 0.20 0.26 -0.25 0.02 0.00 0.00 177.57 177.81 3h3l h TRP 215 N 0.62 0.49 -0.79 1.57 2.91 -1.59 -1.51 115.95 117.64 3h3l h TRP 215 Ca 0.16 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.24 3h3l h TRP 215 Cb 0.11 -0.16 -0.05 0.00 -0.51 0.00 0.00 29.16 28.55 3h3l h TRP 215 CO -0.01 0.30 0.50 -0.09 -1.03 0.00 0.00 178.44 178.11 3h3l h ARG 216 N 0.52 0.93 -0.68 2.65 2.43 -0.96 -0.38 114.38 118.89 3h3l h ARG 216 Ca 0.15 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3h3l h ARG 216 Cb -0.03 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.28 3h3l h ARG 216 CO -0.05 0.62 0.30 0.00 -1.51 0.00 0.00 179.97 179.33 3h3l h ALA 217 N 1.35 0.88 -0.43 2.80 0.00 -0.52 0.72 119.26 124.06 3h3l h ALA 217 Ca 0.33 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3h3l h ALA 217 Cb 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3h3l h ALA 217 CO -0.13 0.47 0.03 -0.07 0.00 0.00 0.00 179.25 179.55 3h3l h LEU 218 N 0.96 0.72 -0.76 0.00 3.38 -0.79 -2.56 115.31 116.25 3h3l h LEU 218 Ca 0.23 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3h3l h LEU 218 Cb 0.16 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3h3l h LEU 218 CO -0.02 0.83 0.40 0.58 0.09 0.00 0.00 178.44 180.31 3h3l h VAL 219 N 0.58 1.23 -0.49 1.22 2.07 -0.84 -2.87 116.25 117.15 3h3l h VAL 219 Ca 0.13 -0.60 0.08 0.00 0.82 0.00 0.00 66.70 67.13 3h3l h VAL 219 Cb 0.44 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3h3l h VAL 219 CO 0.02 0.26 0.33 0.44 0.02 0.00 0.00 177.57 178.64 3h3l h ASP 220 N 1.05 0.27 -0.08 0.57 3.32 -0.47 -1.36 116.42 119.72 3h3l h ASP 220 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3h3l h ASP 220 Cb 0.06 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3h3l h ASP 220 CO -0.04 0.17 0.00 1.41 -1.72 0.00 0.00 179.24 179.06 3h3l n HIS 221 N -4.46 0.09 -2.69 4.55 8.25 -1.03 -4.67 115.22 115.24 3h3l n HIS 221 Ca 0.07 -0.04 -0.21 0.00 -0.26 0.00 0.00 57.72 57.28 3h3l n HIS 221 Cb 0.34 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.50 3h3l n HIS 221 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3h3l s SER 222 N -1.88 5.04 0.65 0.41 1.04 -0.51 -4.98 113.70 113.46 3h3l s SER 222 Ca 0.34 -0.22 0.39 0.00 0.48 0.00 0.00 55.95 56.93 3h3l s SER 222 Cb 0.20 -0.51 2.11 0.00 0.10 0.00 0.00 66.02 67.92 3h3l s SER 222 CO 0.31 -1.32 2.19 0.07 0.98 0.00 0.00 173.24 175.46 3h3l h LYS 223 N -0.03 0.00 -0.02 4.02 2.10 -1.83 -2.54 116.57 118.27 3h3l h LYS 223 Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 3h3l h LYS 223 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3h3l h LYS 223 CO 0.47 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 179.11 3h3l n PHE 224 N -2.97 0.01 -2.64 0.07 3.72 -1.26 -0.21 117.46 114.19 3h3l n PHE 224 Ca -0.03 -0.01 -0.38 0.00 -0.05 0.00 0.00 57.45 56.99 3h3l n PHE 224 Cb 0.17 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.66 3h3l n PHE 224 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3h3l s SER 225 N -1.96 7.25 0.64 4.37 0.15 -0.96 -2.73 113.70 120.46 3h3l s SER 225 Ca 0.41 2.02 0.40 0.00 0.70 0.00 0.00 55.95 59.48 3h3l s SER 225 Cb 0.21 -2.60 2.19 0.00 -1.71 0.00 0.00 66.02 64.11 3h3l s SER 225 CO 0.34 -0.14 2.31 0.07 1.20 0.00 0.00 173.24 177.02 3h3l h LYS 226 N 3.38 0.00 -0.01 5.44 2.10 -1.90 -2.47 116.57 123.12 3h3l h LYS 226 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3h3l h LYS 226 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 3h3l h LYS 226 CO 0.65 0.01 -0.08 1.19 -2.00 0.00 0.00 179.45 179.22 3h3l n PHE 227 N -3.25 0.00 -2.26 0.07 3.72 -1.26 -4.98 117.46 109.49 3h3l n PHE 227 Ca -0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.95 3h3l n PHE 227 Cb 0.10 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.58 3h3l n PHE 227 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3h3l s SER 228 N -2.15 6.90 -0.15 4.37 0.15 -0.93 -4.92 113.70 116.97 3h3l s SER 228 Ca 0.34 2.17 0.16 0.00 0.70 0.00 0.00 55.95 59.31 3h3l s SER 228 Cb 0.20 -2.58 0.62 0.00 -1.71 0.00 0.00 66.02 62.56 3h3l s SER 228 CO 0.39 -0.62 1.53 0.35 1.20 0.00 0.00 173.24 176.09 3h3l n THR 229 N 4.17 2.13 -2.16 6.45 -2.24 -1.26 -4.94 114.28 116.43 3h3l n THR 229 Ca 0.11 -1.48 -0.36 0.00 -2.27 0.00 0.00 64.05 60.05 3h3l n THR 229 Cb 0.44 -0.06 0.01 0.00 -2.10 0.00 0.00 70.33 68.61 3h3l n THR 229 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3h3l s SER 230 N -1.28 5.73 0.16 3.42 0.15 -1.26 -4.94 113.70 115.68 3h3l s SER 230 Ca 0.45 2.33 0.22 0.00 0.70 0.00 0.00 55.95 59.66 3h3l s SER 230 Cb 0.33 -2.60 0.88 0.00 -1.71 0.00 0.00 66.02 62.92 3h3l s SER 230 CO 0.15 -1.22 1.68 -2.65 1.20 0.00 0.00 173.24 172.40 3h3l n PRO 231 N -1.02 0.14 -0.62 5.44 -0.02 -1.26 -2.51 135.00 135.14 3h3l n PRO 231 Ca 0.10 0.30 0.09 0.00 -2.02 0.00 0.00 63.50 61.98 3h3l n PRO 231 Cb 0.49 -1.73 0.35 0.00 -0.02 0.00 0.00 33.50 32.59 3h3l n PRO 231 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3h3l n GLU 232 N -1.98 3.74 -1.70 -0.52 1.02 -1.26 -5.02 120.64 114.92 3h3l n GLU 232 Ca 0.03 -2.80 -0.42 0.00 -0.02 0.00 0.00 57.16 53.95 3h3l n GLU 232 Cb 0.26 -1.91 -0.01 0.00 -0.02 0.00 0.00 31.44 29.76 3h3l n GLU 232 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3h3l n LYS 233 N 1.08 2.10 -3.31 3.49 2.85 -1.05 -4.94 118.16 118.39 3h3l n LYS 233 Ca 0.25 0.74 -0.25 0.00 -1.05 0.00 0.00 58.31 58.00 3h3l n LYS 233 Cb 0.89 -2.32 -0.08 0.00 -0.65 0.00 0.00 35.03 32.87 3h3l n LYS 233 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3h3l h PRO 235 N 4.31 0.00 0.00 0.00 0.13 -1.73 -1.91 132.00 132.80 3h3l h PRO 235 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3h3l h PRO 235 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3h3l h PRO 235 CO 0.56 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.73 3h3l n GLU 236 N -3.12 0.14 0.01 0.86 1.02 -1.26 -2.32 120.64 115.97 3h3l n GLU 236 Ca -0.01 0.41 0.13 0.00 -0.02 0.00 0.00 57.16 57.66 3h3l n GLU 236 Cb 0.18 -1.78 0.56 0.00 -0.02 0.00 0.00 31.44 30.38 3h3l n GLU 236 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h3l n ALA 237 N -1.70 2.24 0.08 0.62 0.00 -0.72 -4.58 120.51 116.44 3h3l n ALA 237 Ca 0.02 -0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 3h3l n ALA 237 Cb 0.19 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 3h3l n ALA 237 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3h3l h TYR 238 N 0.00 -0.36 -0.18 0.00 3.20 -1.26 -2.79 116.97 115.58 3h3l h TYR 238 Ca 0.00 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.72 3h3l h TYR 238 Cb 0.50 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 3h3l h TYR 238 CO 0.00 -0.21 -0.53 -0.44 -1.64 0.00 0.00 178.16 175.34 3h3l h ASP 239 N -0.26 0.57 0.00 -2.11 3.32 -1.85 -1.35 116.42 114.74 3h3l h ASP 239 Ca 0.03 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3h3l h ASP 239 Cb 0.29 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3h3l h ASP 239 CO -0.09 0.99 0.00 0.18 -1.72 0.00 0.00 179.24 178.60 3h3l n LEU 240 N -3.96 0.17 0.00 1.55 4.77 -1.05 -2.60 117.00 115.87 3h3l n LEU 240 Ca -0.03 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3h3l n LEU 240 Cb 0.59 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3h3l n LEU 240 CO 0.46 0.03 0.00 0.18 -1.33 0.00 0.00 177.39 176.74 3h3l n LEU 242 N 0.71 0.00 -0.90 2.23 4.77 -0.51 -2.79 117.00 120.51 3h3l n LEU 242 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 3h3l n LEU 242 Cb 0.03 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.40 3h3l n LEU 242 CO 0.00 0.00 0.73 0.00 -1.33 0.00 0.00 177.39 176.79 3h3l n GLN 243 N 0.00 2.17 -1.65 3.23 1.13 -1.07 -4.61 117.38 116.59 3h3l n GLN 243 Ca 0.00 -1.78 -0.44 0.00 -1.94 0.00 0.00 57.00 52.84 3h3l n GLN 243 Cb 0.00 -1.45 -0.02 0.00 0.11 0.00 0.00 30.24 28.88 3h3l n GLN 243 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3h3l n GLY 245 N 1.47 0.99 0.25 0.00 0.00 -1.26 -4.54 105.19 102.10 3h3l n GLY 245 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.25 3h3l n GLY 245 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h3l n LYS 246 N -2.00 1.06 -3.91 1.61 5.02 -0.99 -4.84 118.16 114.10 3h3l n LYS 246 Ca 0.00 -0.51 -0.09 0.00 -2.02 0.00 0.00 58.31 55.69 3h3l n LYS 246 Cb 0.00 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.47 3h3l n LYS 246 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3h3l s GLN 247 N -2.29 1.47 0.77 1.97 0.00 -1.26 -5.16 119.66 115.16 3h3l s GLN 247 Ca 0.32 -1.12 -0.13 0.00 -0.00 0.00 0.00 55.36 54.43 3h3l s GLN 247 Cb 0.20 0.48 0.06 0.00 0.00 0.00 0.00 33.01 33.76 3h3l s GLN 247 CO 0.43 -0.61 1.17 -2.14 0.00 0.00 0.00 175.29 174.14 3h3l s PRO 248 N -3.96 1.96 0.28 9.60 0.02 -1.26 -4.90 135.00 136.73 3h3l s PRO 248 Ca 0.17 1.61 -0.15 0.00 0.02 0.00 0.00 61.00 62.65 3h3l s PRO 248 Cb -0.01 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.70 3h3l s PRO 248 CO 0.04 -1.94 0.58 0.20 -0.33 0.00 0.00 177.00 175.56 3h3l s GLY 249 N -2.38 0.41 0.18 0.52 0.00 0.01 -4.88 107.32 101.18 3h3l s GLY 249 Ca 0.70 -0.75 -0.04 0.00 0.00 0.00 0.00 44.72 44.63 3h3l s GLY 249 CO 0.49 -0.46 0.41 -0.19 0.00 0.00 0.00 173.10 173.35 3h3l s TYR 250 N -3.73 3.47 -0.14 1.90 2.02 0.24 -0.78 117.35 120.32 3h3l s TYR 250 Ca 0.19 0.55 -0.08 0.00 -0.37 0.00 0.00 57.07 57.36 3h3l s TYR 250 Cb -0.03 -2.01 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 3h3l s TYR 250 CO 0.10 0.38 0.14 0.42 -1.57 0.00 0.00 175.55 175.01 3h3l s ILE 251 N -1.76 5.48 0.00 2.71 1.01 -1.26 -1.37 121.20 126.00 3h3l s ILE 251 Ca 0.41 0.20 0.00 0.00 0.00 0.00 0.00 60.65 61.27 3h3l s ILE 251 Cb -0.12 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.93 3h3l s ILE 251 CO 0.26 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.37 3h3l n GLY 252 N 2.45 3.13 3.35 6.18 0.00 -0.39 -1.33 105.19 118.58 3h3l n GLY 252 Ca -0.19 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 3h3l n GLY 252 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3h3l s GLN 254 N 3.62 2.60 0.71 1.61 0.74 -0.46 -0.40 119.66 128.08 3h3l s GLN 254 Ca 0.00 -0.81 -0.16 0.00 0.05 0.00 0.00 55.36 54.44 3h3l s GLN 254 Cb 0.00 -2.28 0.03 0.00 1.10 0.00 0.00 33.01 31.86 3h3l s GLN 254 CO 0.00 0.46 1.26 -3.47 -0.55 0.00 0.00 175.29 172.98 3h3l n ASP 255 N 2.77 1.66 -2.46 6.67 2.03 -1.26 -3.45 116.55 122.50 3h3l n ASP 255 Ca -0.17 0.73 -0.18 0.00 0.52 0.00 0.00 54.79 55.69 3h3l n ASP 255 Cb 0.52 -1.54 -0.01 0.00 -0.72 0.00 0.00 41.12 39.37 3h3l n ASP 255 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 3h3l n HIS 256 N -2.48 -1.22 -2.29 -0.67 8.25 -1.26 -4.90 115.22 110.66 3h3l n HIS 256 Ca 0.15 0.03 -0.42 0.00 -0.26 0.00 0.00 57.72 57.22 3h3l n HIS 256 Cb 0.49 -3.52 0.00 0.00 1.12 0.00 0.00 29.99 28.08 3h3l n HIS 256 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h3l n GLY 257 N -0.96 4.79 3.76 -1.41 0.00 -1.22 -4.93 105.19 105.21 3h3l n GLY 257 Ca -0.20 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.34 3h3l n GLY 257 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h3l s TYR 258 N 0.38 3.08 -0.24 1.61 2.02 -1.26 -2.67 117.35 120.26 3h3l s TYR 258 Ca 0.41 1.32 0.00 0.00 -0.37 0.00 0.00 57.07 58.42 3h3l s TYR 258 Cb 0.10 -3.69 0.00 0.00 -0.40 0.00 0.00 41.96 37.97 3h3l s TYR 258 CO -0.00 -2.00 0.00 0.41 -1.57 0.00 0.00 175.55 172.39 3h3l n GLY 259 N 1.29 0.54 3.39 0.71 0.00 -1.26 -4.32 105.19 105.53 3h3l n GLY 259 Ca 0.02 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 3h3l n GLY 259 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h3l s VAL 260 N -1.90 3.34 0.04 1.61 1.01 -1.09 -1.14 120.40 122.26 3h3l s VAL 260 Ca 0.00 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.52 3h3l s VAL 260 Cb 0.00 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 3h3l s VAL 260 CO 0.00 0.49 -0.24 0.00 0.00 0.00 0.00 175.10 175.35 3h3l s PHE 262 N -0.82 1.45 0.31 0.00 0.08 0.41 -1.68 117.98 117.73 3h3l s PHE 262 Ca 0.12 -0.34 -0.09 0.00 0.12 0.00 0.00 56.93 56.74 3h3l s PHE 262 Cb -0.10 -0.96 0.01 0.00 -0.57 0.00 0.00 43.02 41.39 3h3l s PHE 262 CO 0.03 -0.09 0.54 -0.98 -0.10 0.00 0.00 175.22 174.62 3h3l s ARG 263 N -0.14 1.82 -1.11 0.44 1.70 -0.35 -0.59 118.95 120.71 3h3l s ARG 263 Ca 0.01 -1.49 -0.19 0.00 -0.47 0.00 0.00 55.73 53.60 3h3l s ARG 263 Cb -0.08 0.49 -0.02 0.00 -0.57 0.00 0.00 34.95 34.77 3h3l s ARG 263 CO 0.01 -0.78 0.81 0.09 -1.08 0.00 0.00 175.30 174.35 3h3l n ASN 264 N -0.98 -5.56 -4.48 -2.89 3.02 -1.26 -0.80 115.26 102.31 3h3l n ASN 264 Ca -0.02 -0.96 -0.38 0.00 -0.03 0.00 0.00 54.58 53.19 3h3l n ASN 264 Cb 0.61 -3.62 -0.12 0.00 -0.61 0.00 0.00 39.78 36.04 3h3l n ASN 264 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3h3l s ILE 265 N -3.44 4.65 0.18 2.41 1.01 -1.26 -3.87 121.20 120.88 3h3l s ILE 265 Ca 0.46 -0.17 -0.15 0.00 0.00 0.00 0.00 60.65 60.79 3h3l s ILE 265 Cb -0.15 -3.25 0.02 0.00 0.01 0.00 0.00 42.46 39.09 3h3l s ILE 265 CO 0.84 0.23 0.44 0.00 0.00 0.00 0.00 174.94 176.45 3h3l s ARG 266 N 1.65 1.27 -0.06 2.79 1.70 -0.68 -3.39 118.95 122.23 3h3l s ARG 266 Ca 0.06 -0.92 -0.12 0.00 -0.47 0.00 0.00 55.73 54.27 3h3l s ARG 266 Cb -0.16 0.47 0.02 0.00 -0.57 0.00 0.00 34.95 34.72 3h3l s ARG 266 CO 0.06 -0.51 0.30 -1.50 -1.08 0.00 0.00 175.30 172.57 3h3l s ILE 267 N -3.89 0.03 -0.15 4.99 2.07 -0.51 -0.78 121.20 122.97 3h3l s ILE 267 Ca 0.10 -0.28 0.00 0.00 -1.41 0.00 0.00 60.65 59.07 3h3l s ILE 267 Cb 0.01 -0.52 0.02 0.00 0.13 0.00 0.00 42.46 42.10 3h3l s ILE 267 CO -0.04 -0.15 -0.15 -0.75 -1.91 0.00 0.00 174.94 171.94 3h3l s LYS 268 N -0.66 2.42 0.25 3.50 2.20 -0.07 -0.16 119.74 127.22 3h3l s LYS 268 Ca -0.08 -0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 54.63 3h3l s LYS 268 Cb -0.04 -2.19 -0.09 0.00 -1.51 0.00 0.00 37.83 34.00 3h3l s LYS 268 CO 0.02 -0.23 0.99 -1.21 -0.36 0.00 0.00 175.35 174.56 3h3l s GLU 269 N 1.45 4.79 0.00 4.03 2.02 -1.26 -0.44 118.70 129.30 3h3l s GLU 269 Ca 0.05 1.58 0.13 0.00 0.02 0.00 0.00 54.97 56.75 3h3l s GLU 269 Cb -0.13 -3.24 0.11 0.00 0.10 0.00 0.00 34.13 30.96 3h3l s GLU 269 CO -0.11 0.42 0.92 1.28 0.02 0.00 0.00 175.26 177.79