#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1n h ARG -7 N 0.00 -0.50 -6.31 1.61 3.08 -2.13 -3.43 114.38 106.71 3h1n h ARG -7 Ca 0.00 0.03 -0.55 0.00 0.07 0.00 0.00 59.98 59.53 3h1n h ARG -7 Cb 0.00 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3h1n h ARG -7 CO 0.00 -0.33 0.69 -2.00 -1.07 0.00 0.00 179.97 177.26 3h1n s GLU -6 N -6.08 4.36 -0.29 0.04 2.12 -1.26 -4.99 118.70 112.60 3h1n s GLU -6 Ca -0.16 1.66 -0.29 0.00 0.36 0.00 0.00 54.97 56.54 3h1n s GLU -6 Cb 0.06 -3.55 0.00 0.00 0.26 0.00 0.00 34.13 30.90 3h1n s GLU -6 CO 0.64 -0.43 1.25 -0.80 -0.54 0.00 0.00 175.26 175.38 3h1n s ASN -5 N 1.44 6.76 0.29 -1.70 0.01 -1.26 -5.03 114.94 115.46 3h1n s ASN -5 Ca 0.55 1.24 0.02 0.00 -0.71 0.00 0.00 52.86 53.97 3h1n s ASN -5 Cb -0.24 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 38.84 3h1n s ASN -5 CO 0.22 -1.00 0.46 -0.76 -1.51 0.00 0.00 177.10 174.51 3h1n s LEU -4 N 4.12 4.16 -0.09 0.60 1.43 -1.26 -5.11 118.68 122.53 3h1n s LEU -4 Ca 0.54 0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 53.77 3h1n s LEU -4 Cb -0.16 -3.11 0.03 0.00 0.03 0.00 0.00 46.19 42.98 3h1n s LEU -4 CO 0.20 -0.19 0.36 -0.72 0.23 0.00 0.00 176.35 176.24 3h1n s TYR -3 N -2.15 -0.33 0.81 0.29 -0.85 -1.26 -5.14 117.35 108.73 3h1n s TYR -3 Ca 0.37 0.71 -0.12 0.00 -0.52 0.00 0.00 57.07 57.52 3h1n s TYR -3 Cb -0.09 0.13 0.08 0.00 0.38 0.00 0.00 41.96 42.46 3h1n s TYR -3 CO 0.33 -0.29 1.15 -0.59 -1.52 0.00 0.00 175.55 174.63 3h1n s PHE -2 N -0.46 2.91 0.14 -3.49 -0.12 -1.26 -4.99 117.98 110.71 3h1n s PHE -2 Ca -0.06 0.86 -0.35 0.00 -0.05 0.00 0.00 56.93 57.33 3h1n s PHE -2 Cb -0.04 -3.37 -0.15 0.00 -0.63 0.00 0.00 43.02 38.84 3h1n s PHE -2 CO 0.02 -1.80 1.49 0.00 -0.05 0.00 0.00 175.22 174.88 3h1n n GLN -1 N -3.37 1.81 -0.86 1.99 10.64 -1.26 -4.44 117.38 121.89 3h1n n GLN -1 Ca 0.07 0.65 0.00 0.00 -1.83 0.00 0.00 57.00 55.90 3h1n n GLN -1 Cb 0.60 -2.38 0.00 0.00 -0.86 0.00 0.00 30.24 27.60 3h1n n GLN -1 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3h1n n GLY 0 N 3.08 0.48 0.11 2.61 0.00 -1.26 -5.23 105.19 104.99 3h1n n GLY 0 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3h1n n GLY 0 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1n n ALA 2 N -0.44 -1.00 -1.67 4.61 0.00 -1.26 -5.01 120.51 115.74 3h1n n ALA 2 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 3h1n n ALA 2 Cb 0.22 -0.05 0.02 0.00 0.00 0.00 0.00 19.45 19.64 3h1n n ALA 2 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3h1n s TYR 3 N -0.25 2.64 -0.35 0.00 4.12 -0.60 -4.79 117.35 118.13 3h1n s TYR 3 Ca 0.00 1.55 -0.12 0.00 0.02 0.00 0.00 57.07 58.52 3h1n s TYR 3 Cb 0.00 -3.25 0.00 0.00 -1.52 0.00 0.00 41.96 37.19 3h1n s TYR 3 CO 0.00 -1.64 0.21 -0.51 0.02 0.00 0.00 175.55 173.63 3h1n s ASP 4 N -2.08 5.81 -0.19 2.29 1.01 -0.24 -0.42 116.67 122.85 3h1n s ASP 4 Ca 0.71 -0.67 -0.18 0.00 0.71 0.00 0.00 52.55 53.11 3h1n s ASP 4 Cb -0.23 -2.07 -0.03 0.00 1.01 0.00 0.00 42.92 41.60 3h1n s ASP 4 CO 0.33 -0.29 0.49 -0.22 0.21 0.00 0.00 175.17 175.69 3h1n s LEU 5 N 1.64 4.17 -0.32 1.23 2.96 -0.20 -0.75 118.68 127.40 3h1n s LEU 5 Ca 0.04 0.67 -0.02 0.00 -0.22 0.00 0.00 54.13 54.60 3h1n s LEU 5 Cb -0.18 -2.68 0.06 0.00 0.50 0.00 0.00 46.19 43.89 3h1n s LEU 5 CO 0.08 -0.14 0.03 0.26 -1.32 0.00 0.00 176.35 175.26 3h1n s TRP 6 N 1.43 3.31 -0.01 5.38 0.52 0.17 -1.74 118.94 128.00 3h1n s TRP 6 Ca 0.24 -1.91 -0.16 0.00 0.02 0.00 0.00 56.10 54.28 3h1n s TRP 6 Cb -0.15 -2.26 0.03 0.00 -1.15 0.00 0.00 33.47 29.94 3h1n s TRP 6 CO 0.09 -0.82 0.35 -0.47 0.02 0.00 0.00 176.95 176.12 3h1n s TYR 7 N 1.25 -0.22 0.17 -1.98 5.04 -1.26 -1.82 117.35 118.53 3h1n s TYR 7 Ca -0.03 0.33 -0.32 0.00 -2.44 0.00 0.00 57.07 54.61 3h1n s TYR 7 Cb -0.20 0.13 -0.17 0.00 0.35 0.00 0.00 41.96 42.07 3h1n s TYR 7 CO -0.01 -0.42 0.93 0.91 -1.34 0.00 0.00 175.55 175.62 3h1n n TRP 8 N 1.17 0.65 -1.95 4.97 7.02 -1.26 -4.57 117.44 123.48 3h1n n TRP 8 Ca -0.21 0.83 -0.30 0.00 -1.02 0.00 0.00 57.50 56.80 3h1n n TRP 8 Cb 0.56 -2.15 0.04 0.00 -2.42 0.00 0.00 31.31 27.35 3h1n n TRP 8 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3h1n s ASP 9 N -0.39 5.55 0.00 -0.99 2.15 -1.26 -4.54 116.67 117.19 3h1n s ASP 9 Ca 0.71 1.11 0.00 0.00 0.43 0.00 0.00 52.55 54.80 3h1n s ASP 9 Cb -0.92 -1.96 0.00 0.00 -0.30 0.00 0.00 42.92 39.74 3h1n s ASP 9 CO 0.55 -1.26 0.00 0.61 -0.17 0.00 0.00 175.17 174.91 3h1n n GLY 10 N -2.93 3.00 3.22 2.66 0.00 -1.26 -5.01 105.19 104.87 3h1n n GLY 10 Ca 0.06 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 3h1n n GLY 10 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3h1n s ILE 11 N -1.81 1.29 0.08 -0.61 -4.36 -1.26 -4.90 121.20 109.63 3h1n s ILE 11 Ca 0.00 -1.56 -0.19 0.00 -0.26 0.00 0.00 60.65 58.64 3h1n s ILE 11 Cb 0.00 -1.37 -0.08 0.00 1.25 0.00 0.00 42.46 42.25 3h1n s ILE 11 CO 0.00 -0.32 1.53 -0.65 0.24 0.00 0.00 174.94 175.74 3h1n h PRO 12 N 3.84 0.42 0.00 0.37 0.11 -1.78 -3.48 132.00 131.48 3h1n h PRO 12 Ca -0.41 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3h1n h PRO 12 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3h1n h PRO 12 CO 0.46 0.59 0.00 0.41 -0.21 0.00 0.00 178.00 179.25 3h1n n GLY 13 N -0.35 0.90 0.21 -0.55 0.00 -1.26 -1.85 105.19 102.28 3h1n n GLY 13 Ca -0.04 -0.70 0.08 0.00 0.00 0.00 0.00 46.02 45.37 3h1n n GLY 13 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h1n h ARG 14 N 0.00 0.00 0.00 1.61 3.08 -1.95 -3.09 114.38 114.03 3h1n h ARG 14 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3h1n h ARG 14 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3h1n h ARG 14 CO 0.00 0.29 -0.16 0.78 -1.07 0.00 0.00 179.97 179.81 3h1n h GLY 15 N 2.03 0.00 1.18 0.04 0.00 -1.92 -2.83 103.07 101.57 3h1n h GLY 15 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.39 3h1n h GLY 15 CO 0.04 0.00 0.39 -2.09 0.00 0.00 0.00 176.54 174.88 3h1n h GLU 16 N 0.00 0.52 -0.70 4.80 4.57 -1.28 -0.38 114.58 122.10 3h1n h GLU 16 Ca -0.00 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.10 3h1n h GLU 16 Cb 0.30 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 3h1n h GLU 16 CO 0.02 0.34 0.25 0.74 -1.18 0.00 0.00 179.01 179.18 3h1n h PHE 17 N 0.54 1.09 -0.13 0.92 0.04 -1.71 -1.00 116.94 116.69 3h1n h PHE 17 Ca 0.26 -0.09 -0.12 0.00 2.80 0.00 0.00 57.97 60.82 3h1n h PHE 17 Cb 0.32 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3h1n h PHE 17 CO -0.00 0.85 -0.38 0.28 -0.60 0.00 0.00 178.31 178.46 3h1n h VAL 18 N 1.03 1.37 -0.80 -0.55 2.07 -1.43 -3.15 116.25 114.79 3h1n h VAL 18 Ca 0.23 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 3h1n h VAL 18 Cb 0.25 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 3h1n h VAL 18 CO -0.01 0.50 0.46 -0.09 0.02 0.00 0.00 177.57 178.45 3h1n h ARG 19 N 0.09 1.10 -0.50 1.57 2.43 -0.93 -1.55 114.38 116.59 3h1n h ARG 19 Ca -0.01 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3h1n h ARG 19 Cb 1.00 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 3h1n h ARG 19 CO 0.08 0.79 0.33 -0.07 -1.51 0.00 0.00 179.97 179.59 3h1n h LEU 20 N 1.10 0.56 -0.56 3.80 3.38 -1.24 -0.60 115.31 121.75 3h1n h LEU 20 Ca 0.28 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 3h1n h LEU 20 Cb -0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3h1n h LEU 20 CO -0.05 0.41 0.16 0.00 0.09 0.00 0.00 178.44 179.05 3h1n h ALA 21 N 1.19 0.73 -0.47 1.53 0.00 -1.39 -0.24 119.26 120.61 3h1n h ALA 21 Ca 0.19 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3h1n h ALA 21 Cb -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3h1n h ALA 21 CO -0.05 0.41 -0.14 -0.07 0.00 0.00 0.00 179.25 179.40 3h1n h LEU 22 N 0.78 0.94 0.16 0.00 3.38 -1.18 0.24 115.31 119.64 3h1n h LEU 22 Ca 0.18 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3h1n h LEU 22 Cb 0.30 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3h1n h LEU 22 CO -0.00 1.10 -0.08 -0.33 0.09 0.00 0.00 178.44 179.22 3h1n h GLU 23 N 0.78 -0.21 -0.32 1.13 4.39 -1.00 0.07 114.58 119.41 3h1n h GLU 23 Ca 0.12 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.72 3h1n h GLU 23 Cb 0.70 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 3h1n h GLU 23 CO 0.05 0.09 -0.25 0.00 -1.16 0.00 0.00 179.01 177.73 3h1n h ALA 24 N 0.26 0.95 0.00 3.43 0.00 -1.05 -2.53 119.26 120.32 3h1n h ALA 24 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3h1n h ALA 24 Cb 0.40 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3h1n h ALA 24 CO 0.04 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.30 3h1n n GLY 25 N -0.26 -1.09 3.81 0.00 0.00 0.07 -4.87 105.19 102.85 3h1n n GLY 25 Ca -0.00 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 3h1n n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h1n n LYS 26 N -1.17 -4.88 -3.53 1.61 5.02 -0.72 -4.98 118.16 109.51 3h1n n LYS 26 Ca 0.17 0.58 -0.39 0.00 -2.02 0.00 0.00 58.31 56.65 3h1n n LYS 26 Cb 0.17 -5.20 -0.11 0.00 -0.02 0.00 0.00 35.03 29.88 3h1n n LYS 26 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3h1n s ILE 27 N -3.58 5.28 0.25 -0.18 1.01 -0.07 -5.05 121.20 118.86 3h1n s ILE 27 Ca 0.23 0.01 -0.31 0.00 0.00 0.00 0.00 60.65 60.57 3h1n s ILE 27 Cb -0.12 -3.65 -0.12 0.00 0.01 0.00 0.00 42.46 38.58 3h1n s ILE 27 CO 0.83 0.09 1.61 -2.65 0.00 0.00 0.00 174.94 174.82 3h1n n PRO 28 N 5.13 2.60 -3.65 2.79 -0.02 -1.26 -4.67 135.00 135.91 3h1n n PRO 28 Ca -0.13 0.93 -0.11 0.00 -2.02 0.00 0.00 63.50 62.17 3h1n n PRO 28 Cb 0.51 -2.71 -0.05 0.00 -0.02 0.00 0.00 33.50 31.22 3h1n n PRO 28 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3h1n s TYR 29 N 0.39 -0.21 -0.14 6.00 -0.85 -1.26 -1.56 117.35 119.72 3h1n s TYR 29 Ca 0.69 -0.00 0.01 0.00 -0.52 0.00 0.00 57.07 57.25 3h1n s TYR 29 Cb -0.53 0.23 -0.00 0.00 0.38 0.00 0.00 41.96 42.04 3h1n s TYR 29 CO 0.43 -0.65 -0.17 1.03 -1.52 0.00 0.00 175.55 174.67 3h1n s ARG 30 N -3.30 3.20 -1.24 -3.49 0.52 0.44 -4.87 118.95 110.21 3h1n s ARG 30 Ca -0.00 -0.77 -0.16 0.00 -0.52 0.00 0.00 55.73 54.27 3h1n s ARG 30 Cb 0.01 -2.54 0.11 0.00 0.52 0.00 0.00 34.95 33.06 3h1n s ARG 30 CO -0.08 0.09 1.58 0.34 0.02 0.00 0.00 175.30 177.25 3h1n s ASP 31 N 0.61 6.92 0.24 0.23 -1.08 -1.26 -1.04 116.67 121.29 3h1n s ASP 31 Ca -0.10 -2.63 -0.06 0.00 -0.52 0.00 0.00 52.55 49.24 3h1n s ASP 31 Cb -0.16 -2.50 0.23 0.00 -1.46 0.00 0.00 42.92 39.03 3h1n s ASP 31 CO 0.03 -1.00 1.88 0.03 0.52 0.00 0.00 175.17 176.63 3h1n h ARG 32 N 7.53 1.29 0.00 4.34 2.47 -1.71 -2.27 114.38 126.02 3h1n h ARG 32 Ca 0.37 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 3h1n h ARG 32 Cb 0.88 -0.27 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 3h1n h ARG 32 CO 1.36 0.91 0.00 0.00 0.56 0.00 0.00 179.97 182.79 3h1n n ALA 33 N -2.40 1.62 1.00 0.04 0.00 -1.26 -1.64 120.51 117.87 3h1n n ALA 33 Ca 0.10 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.67 3h1n n ALA 33 Cb 0.07 -1.29 0.07 0.00 0.00 0.00 0.00 19.45 18.30 3h1n n ALA 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h1n n ARG 34 N -1.81 0.00 -2.97 0.00 1.74 -0.85 -4.69 116.66 108.07 3h1n n ARG 34 Ca 0.03 -0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.71 3h1n n ARG 34 Cb 0.18 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.07 3h1n n ARG 34 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3h1n s GLU 35 N -3.00 4.53 0.16 5.56 2.02 -0.65 -4.99 118.70 122.33 3h1n s GLU 35 Ca 0.10 1.12 -0.34 0.00 0.02 0.00 0.00 54.97 55.87 3h1n s GLU 35 Cb 0.17 -3.31 -0.14 0.00 0.10 0.00 0.00 34.13 30.94 3h1n s GLU 35 CO 0.78 0.42 1.56 -2.30 0.02 0.00 0.00 175.26 175.75 3h1n n PRO 36 N 2.21 2.11 0.00 0.39 -0.02 -1.26 -2.66 135.00 135.78 3h1n n PRO 36 Ca -0.04 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3h1n n PRO 36 Cb 0.49 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3h1n n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h1n n GLY 37 N 3.34 1.69 3.76 -1.23 0.00 -1.26 -5.04 105.19 106.45 3h1n n GLY 37 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3h1n n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1n s GLU 38 N -0.53 4.81 0.35 1.61 0.41 -1.09 -5.21 118.70 119.06 3h1n s GLU 38 Ca 0.00 1.46 0.06 0.00 -0.41 0.00 0.00 54.97 56.07 3h1n s GLU 38 Cb 0.00 -3.20 -0.07 0.00 -1.78 0.00 0.00 34.13 29.08 3h1n s GLU 38 CO 0.00 0.48 0.01 0.34 -0.49 0.00 0.00 175.26 175.60 3h1n s ASP 39 N -1.25 3.04 0.00 -0.19 -1.08 -1.26 -4.93 116.67 110.99 3h1n s ASP 39 Ca 0.42 -1.34 0.00 0.00 -0.52 0.00 0.00 52.55 51.12 3h1n s ASP 39 Cb -0.25 -0.22 0.00 0.00 -1.46 0.00 0.00 42.92 40.99 3h1n s ASP 39 CO 0.31 -0.49 0.00 0.18 0.52 0.00 0.00 175.17 175.69 3h1n n LEU 41 N -0.78 0.00 -0.04 -1.34 7.99 -1.26 -0.99 117.00 120.59 3h1n n LEU 41 Ca -0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.85 3h1n n LEU 41 Cb 0.66 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.92 3h1n n LEU 41 CO 0.44 0.00 0.83 -0.78 -1.51 0.00 0.00 177.39 176.38 3h1n h ASP 42 N 0.00 0.20 0.00 -1.43 3.58 -2.04 -2.83 116.42 113.90 3h1n h ASP 42 Ca 0.00 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.28 3h1n h ASP 42 Cb 0.00 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.00 3h1n h ASP 42 CO 0.00 0.32 0.00 -0.67 -2.88 0.00 0.00 179.24 176.01 3h1n n ASP 43 N -4.87 0.00 0.00 2.28 2.03 -0.17 -3.29 116.55 112.54 3h1n n ASP 43 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 3h1n n ASP 43 Cb 0.12 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 3h1n n ASP 43 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3h1n n ARG 45 N 0.78 0.00 0.18 -0.67 1.74 -1.07 -3.34 116.66 114.27 3h1n n ARG 45 Ca 0.00 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.20 3h1n n ARG 45 Cb 0.00 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 31.68 3h1n n ARG 45 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h1n h ARG 46 N 0.00 0.00 -5.71 5.56 3.08 -1.87 -3.43 114.38 112.02 3h1n h ARG 46 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 3h1n h ARG 46 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 3h1n h ARG 46 CO 0.00 0.00 0.97 0.50 -1.07 0.00 0.00 179.97 180.37 3h1n s ARG 47 N -3.18 2.72 -0.18 0.04 6.06 -1.21 -4.78 118.95 118.42 3h1n s ARG 47 Ca 0.08 -0.68 0.14 0.00 -2.50 0.00 0.00 55.73 52.77 3h1n s ARG 47 Cb 0.08 -5.16 -0.21 0.00 0.06 0.00 0.00 34.95 29.72 3h1n s ARG 47 CO 0.65 -3.35 0.03 0.54 -2.50 0.00 0.00 175.30 170.67 3h1n n ARG 48 N 8.70 1.05 -0.01 5.12 5.12 -1.26 -3.59 116.66 131.79 3h1n n ARG 48 Ca 0.41 0.01 -0.13 0.00 -1.93 0.00 0.00 57.85 56.21 3h1n n ARG 48 Cb 0.47 -1.45 -0.10 0.00 -1.16 0.00 0.00 32.46 30.22 3h1n n ARG 48 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3h1n h ASP 49 N 0.00 -0.04 -2.55 0.55 5.19 -2.01 -3.38 116.42 114.18 3h1n h ASP 49 Ca -0.48 -0.56 -0.60 0.00 -0.62 0.00 0.00 57.03 54.77 3h1n h ASP 49 Cb 2.04 0.01 -0.41 0.00 0.18 0.00 0.00 39.33 41.16 3h1n h ASP 49 CO 0.01 0.56 -0.73 0.35 -3.12 0.00 0.00 179.24 176.32 3h1n n THR 50 N -4.82 0.98 -2.13 0.35 -2.24 -1.26 -5.11 114.28 100.05 3h1n n THR 50 Ca -0.09 -4.58 -0.41 0.00 -2.27 0.00 0.00 64.05 56.71 3h1n n THR 50 Cb 0.30 -2.03 -0.02 0.00 -2.10 0.00 0.00 70.33 66.48 3h1n n THR 50 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3h1n s PRO 51 N -1.42 4.35 0.39 -0.78 0.04 -1.24 -4.77 135.00 131.57 3h1n s PRO 51 Ca 0.32 2.18 -0.25 0.00 0.04 0.00 0.00 61.00 63.29 3h1n s PRO 51 Cb 0.06 -3.11 -0.09 0.00 0.04 0.00 0.00 34.50 31.40 3h1n s PRO 51 CO -0.12 -0.24 1.14 -1.25 0.04 0.00 0.00 177.00 176.57 3h1n s PRO 52 N -1.07 4.12 0.14 0.56 0.05 -1.26 -4.96 135.00 132.57 3h1n s PRO 52 Ca 0.53 1.78 -0.11 0.00 0.05 0.00 0.00 61.00 63.25 3h1n s PRO 52 Cb -0.39 -2.70 -0.06 0.00 0.05 0.00 0.00 34.50 31.40 3h1n s PRO 52 CO 0.47 -0.24 1.45 0.35 0.05 0.00 0.00 177.00 179.08 3h1n h PHE 53 N 2.72 1.12 -2.83 0.56 3.57 -1.96 -3.48 116.94 116.64 3h1n h PHE 53 Ca -0.48 -0.35 0.04 0.00 3.53 0.00 0.00 57.97 60.70 3h1n h PHE 53 Cb 1.23 -0.23 -0.10 0.00 2.79 0.00 0.00 35.95 39.64 3h1n h PHE 53 CO 0.56 1.18 0.28 0.00 -2.23 0.00 0.00 178.31 178.11 3h1n s ALA 54 N -4.32 -1.55 0.67 2.41 0.00 -1.26 -5.16 121.76 112.55 3h1n s ALA 54 Ca -0.11 0.35 -0.16 0.00 0.00 0.00 0.00 51.96 52.04 3h1n s ALA 54 Cb 0.11 0.79 0.01 0.00 0.00 0.00 0.00 23.12 24.02 3h1n s ALA 54 CO 0.88 -0.84 1.17 -2.14 0.00 0.00 0.00 175.76 174.83 3h1n s PRO 55 N -3.65 2.59 0.50 0.00 0.02 -1.26 -4.55 135.00 128.65 3h1n s PRO 55 Ca 0.05 1.63 -0.15 0.00 0.02 0.00 0.00 61.00 62.54 3h1n s PRO 55 Cb -0.02 -1.90 -0.08 0.00 0.02 0.00 0.00 34.50 32.52 3h1n s PRO 55 CO -0.06 -1.46 0.95 -1.25 -0.33 0.00 0.00 177.00 174.85 3h1n s PRO 56 N -3.83 3.92 0.03 5.54 0.04 -1.26 -4.98 135.00 134.46 3h1n s PRO 56 Ca 0.72 0.87 -0.00 0.00 0.04 0.00 0.00 61.00 62.63 3h1n s PRO 56 Cb -0.26 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 3h1n s PRO 56 CO 0.41 -0.23 -0.03 1.52 0.04 0.00 0.00 177.00 178.70 3h1n s TYR 57 N -2.59 0.38 -0.13 0.56 1.13 -0.75 -3.67 117.35 112.28 3h1n s TYR 57 Ca 0.58 -0.73 0.01 0.00 -1.41 0.00 0.00 57.07 55.52 3h1n s TYR 57 Cb -0.10 -0.28 0.02 0.00 -1.10 0.00 0.00 41.96 40.50 3h1n s TYR 57 CO 0.31 -0.25 -0.17 -1.17 -2.51 0.00 0.00 175.55 171.76 3h1n s LEU 58 N -2.02 1.83 -0.39 -3.49 2.96 0.42 -0.65 118.68 117.34 3h1n s LEU 58 Ca -0.07 -0.50 -0.15 0.00 -0.22 0.00 0.00 54.13 53.19 3h1n s LEU 58 Cb -0.03 -1.23 0.01 0.00 0.50 0.00 0.00 46.19 45.44 3h1n s LEU 58 CO -0.04 0.01 0.30 -0.69 -1.32 0.00 0.00 176.35 174.60 3h1n s VAL 59 N 1.09 5.25 -0.13 1.68 1.01 0.07 -0.60 120.40 128.77 3h1n s VAL 59 Ca -0.03 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 3h1n s VAL 59 Cb -0.14 -3.87 0.05 0.00 0.00 0.00 0.00 36.38 32.42 3h1n s VAL 59 CO -0.05 -0.23 0.30 0.00 0.00 0.00 0.00 175.10 175.13 3h1n s ALA 60 N 1.74 -0.72 -1.52 5.51 0.00 -1.26 -1.08 121.76 124.43 3h1n s ALA 60 Ca 0.06 1.17 -0.12 0.00 0.00 0.00 0.00 51.96 53.06 3h1n s ALA 60 Cb -0.18 -0.78 0.08 0.00 0.00 0.00 0.00 23.12 22.23 3h1n s ALA 60 CO 0.10 -0.28 0.93 -0.25 0.00 0.00 0.00 175.76 176.27 3h1n n ASP 61 N 4.39 -4.23 -0.66 0.00 10.43 -1.26 -4.69 116.55 120.53 3h1n n ASP 61 Ca -0.22 -0.80 0.00 0.00 2.57 0.00 0.00 54.79 56.33 3h1n n ASP 61 Cb 0.53 -3.82 0.00 0.00 1.84 0.00 0.00 41.12 39.67 3h1n n ASP 61 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3h1n n GLY 62 N -1.67 0.66 2.87 0.44 0.00 -1.26 -5.21 105.19 101.01 3h1n n GLY 62 Ca -0.00 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 3h1n n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h1n s THR 64 N -2.72 -0.47 -0.19 2.61 2.01 -1.26 -5.14 115.64 110.47 3h1n s THR 64 Ca 0.00 -0.05 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 3h1n s THR 64 Cb 0.00 -0.72 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 3h1n s THR 64 CO 0.00 -0.13 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.08 3h1n s ILE 65 N 2.45 3.12 0.46 1.82 1.01 0.23 -4.88 121.20 125.40 3h1n s ILE 65 Ca 0.09 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.18 3h1n s ILE 65 Cb -0.15 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 3h1n s ILE 65 CO -0.13 0.47 0.01 0.00 0.00 0.00 0.00 174.94 175.28 3h1n s ALA 66 N 1.14 3.62 0.06 9.38 0.00 -1.26 -0.44 121.76 134.26 3h1n s ALA 66 Ca 0.01 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.67 3h1n s ALA 66 Cb -0.14 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.10 3h1n s ALA 66 CO -0.02 -0.08 0.00 1.04 0.00 0.00 0.00 175.76 176.70 3h1n n GLN 67 N -1.11 -1.83 -0.17 0.00 1.13 -1.24 -4.26 117.38 109.90 3h1n n GLN 67 Ca -0.12 1.64 -0.03 0.00 -1.94 0.00 0.00 57.00 56.55 3h1n n GLN 67 Cb 0.67 -1.52 0.04 0.00 0.11 0.00 0.00 30.24 29.54 3h1n n GLN 67 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3h1n h THR 68 N 1.43 0.46 -0.51 5.09 2.02 -1.94 0.63 112.91 120.09 3h1n h THR 68 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3h1n h THR 68 Cb 0.00 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 3h1n h THR 68 CO 0.00 0.00 0.23 0.00 0.37 0.00 0.00 175.52 176.12 3h1n h ALA 69 N 1.51 1.45 -0.13 6.16 0.00 -1.93 -1.86 119.26 124.45 3h1n h ALA 69 Ca 0.25 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3h1n h ALA 69 Cb 0.39 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3h1n h ALA 69 CO -0.55 0.43 -0.13 -0.97 0.00 0.00 0.00 179.25 178.03 3h1n h ASN 70 N 0.72 0.35 -0.47 0.00 -1.24 -1.37 -0.44 115.58 113.12 3h1n h ASN 70 Ca 0.18 -0.48 0.08 0.00 0.71 0.00 0.00 56.30 56.78 3h1n h ASN 70 Cb 0.11 -0.10 -0.07 0.00 0.73 0.00 0.00 38.32 38.99 3h1n h ASN 70 CO -0.02 0.76 0.09 0.40 -1.29 0.00 0.00 177.43 177.37 3h1n h ILE 71 N -0.06 0.74 -0.43 2.57 2.04 -0.78 -2.40 117.51 119.19 3h1n h ILE 71 Ca 0.02 -0.08 -0.14 0.00 1.00 0.00 0.00 64.86 65.66 3h1n h ILE 71 Cb 0.66 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3h1n h ILE 71 CO 0.03 0.04 -0.28 -0.07 0.00 0.00 0.00 178.15 177.87 3h1n h LEU 72 N 0.22 0.98 -0.80 1.44 3.38 -1.29 -2.37 115.31 116.87 3h1n h LEU 72 Ca 0.23 -0.40 0.17 0.00 0.09 0.00 0.00 57.88 57.98 3h1n h LEU 72 Cb 0.31 -0.27 -0.11 0.00 0.09 0.00 0.00 40.66 40.68 3h1n h LEU 72 CO -0.31 1.18 0.30 0.25 0.09 0.00 0.00 178.44 179.96 3h1n h LEU 73 N 0.79 0.23 -0.23 1.67 5.85 -0.77 0.15 115.31 123.00 3h1n h LEU 73 Ca 0.09 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 3h1n h LEU 73 Cb 0.86 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3h1n h LEU 73 CO 0.08 0.04 0.10 0.15 -0.34 0.00 0.00 178.44 178.46 3h1n h PHE 74 N 0.39 0.35 -0.46 1.25 3.57 -0.94 -2.21 116.94 118.88 3h1n h PHE 74 Ca 0.47 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.89 3h1n h PHE 74 Cb 0.79 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 3h1n h PHE 74 CO -0.18 0.37 0.08 -0.07 -2.23 0.00 0.00 178.31 176.27 3h1n h LEU 75 N 0.22 0.66 -0.72 0.59 3.38 -0.88 0.03 115.31 118.58 3h1n h LEU 75 Ca 0.08 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3h1n h LEU 75 Cb 0.17 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3h1n h LEU 75 CO -0.01 0.68 0.30 1.23 0.09 0.00 0.00 178.44 180.74 3h1n h GLY 76 N 0.91 1.15 0.93 0.83 0.00 -0.63 -0.51 103.07 105.75 3h1n h GLY 76 Ca 0.15 -0.61 -0.23 0.00 0.00 0.00 0.00 47.33 46.63 3h1n h GLY 76 CO 0.00 0.58 -0.99 -2.08 0.00 0.00 0.00 176.54 174.05 3h1n h VAL 77 N 1.03 1.40 0.00 4.60 2.07 -0.99 -2.87 116.25 121.50 3h1n h VAL 77 Ca 0.24 -2.46 -0.26 0.00 0.82 0.00 0.00 66.70 65.05 3h1n h VAL 77 Cb 0.19 2.94 -0.04 0.00 -1.52 0.00 0.00 31.29 32.85 3h1n h VAL 77 CO -0.02 0.72 -1.58 -0.08 0.02 0.00 0.00 177.57 176.63 3h1n h GLU 78 N -0.08 0.00 -0.23 1.57 4.57 -1.03 -3.36 114.58 116.02 3h1n h GLU 78 Ca -0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 3h1n h GLU 78 Cb 1.74 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.33 3h1n h GLU 78 CO 0.19 0.48 0.00 0.72 -1.18 0.00 0.00 179.01 179.22 3h1n n HIS 79 N -3.04 0.34 -2.27 0.92 8.25 -0.20 -5.00 115.22 114.22 3h1n n HIS 79 Ca -0.14 -0.53 -0.12 0.00 -0.26 0.00 0.00 57.72 56.68 3h1n n HIS 79 Cb 1.00 -0.05 -0.00 0.00 1.12 0.00 0.00 29.99 32.05 3h1n n HIS 79 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h1n n GLY 80 N 0.13 -0.11 0.58 -1.41 0.00 -1.12 -4.89 105.19 98.37 3h1n n GLY 80 Ca 0.09 -0.38 0.06 0.00 0.00 0.00 0.00 46.02 45.79 3h1n n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h1n n LEU 81 N -1.77 1.69 -3.99 0.99 4.77 -1.10 -4.86 117.00 112.73 3h1n n LEU 81 Ca -0.13 -0.82 -0.10 0.00 -0.03 0.00 0.00 56.01 54.93 3h1n n LEU 81 Cb 0.60 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.43 3h1n n LEU 81 CO 0.17 0.41 -0.05 0.00 -1.33 0.00 0.00 177.39 176.59 3h1n s ALA 82 N -1.61 0.11 0.78 -1.18 0.00 -1.16 -0.87 121.76 117.84 3h1n s ALA 82 Ca 0.23 -0.97 -0.14 0.00 0.00 0.00 0.00 51.96 51.08 3h1n s ALA 82 Cb 0.12 0.88 0.04 0.00 0.00 0.00 0.00 23.12 24.16 3h1n s ALA 82 CO 0.17 -0.63 0.96 -2.30 0.00 0.00 0.00 175.76 173.96 3h1n n PRO 83 N -0.21 0.26 0.15 0.00 -0.02 -1.26 -4.86 135.00 129.06 3h1n n PRO 83 Ca -0.07 0.15 0.13 0.00 -2.02 0.00 0.00 63.50 61.69 3h1n n PRO 83 Cb 0.63 -2.23 0.38 0.00 -0.02 0.00 0.00 33.50 32.26 3h1n n PRO 83 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3h1n h PRO 84 N -0.69 0.00 -6.29 0.52 0.13 -1.96 -3.40 132.00 120.32 3h1n h PRO 84 Ca -0.46 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.16 3h1n h PRO 84 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 3h1n h PRO 84 CO 0.45 0.00 -0.32 0.16 -0.23 0.00 0.00 178.00 178.06 3h1n s ASP 85 N -5.03 6.35 0.09 1.44 -4.77 -1.26 -4.99 116.67 108.50 3h1n s ASP 85 Ca 0.08 0.35 -0.22 0.00 -3.30 0.00 0.00 52.55 49.46 3h1n s ASP 85 Cb 0.10 -1.98 -0.12 0.00 -1.09 0.00 0.00 42.92 39.82 3h1n s ASP 85 CO 0.58 -0.11 1.72 -0.09 0.70 0.00 0.00 175.17 177.97 3h1n h ARG 86 N 1.54 0.10 -0.97 2.11 2.43 -2.00 -1.60 114.38 116.00 3h1n h ARG 86 Ca -0.49 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3h1n h ARG 86 Cb 1.21 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.69 3h1n h ARG 86 CO 0.65 0.10 0.60 0.00 -1.51 0.00 0.00 179.97 179.82 3h1n h ALA 87 N 0.99 1.24 -0.47 2.80 0.00 -1.98 -1.29 119.26 120.56 3h1n h ALA 87 Ca 0.03 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3h1n h ALA 87 Cb 0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3h1n h ALA 87 CO -0.01 0.67 -0.10 0.78 0.00 0.00 0.00 179.25 180.59 3h1n h GLY 88 N 1.33 0.93 0.87 0.00 0.00 -1.85 -1.42 103.07 102.91 3h1n h GLY 88 Ca 0.35 -0.71 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 3h1n h GLY 88 CO -0.07 0.65 -0.01 3.21 0.00 0.00 0.00 176.54 180.32 3h1n h ARG 89 N 0.77 0.49 -0.75 4.80 3.08 -0.86 -1.21 114.38 120.70 3h1n h ARG 89 Ca 0.13 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3h1n h ARG 89 Cb 0.60 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 3h1n h ARG 89 CO 0.04 0.66 0.37 -0.07 -1.07 0.00 0.00 179.97 179.90 3h1n h LEU 90 N 0.27 0.97 -0.14 3.04 3.38 -1.18 -0.62 115.31 121.03 3h1n h LEU 90 Ca 0.08 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3h1n h LEU 90 Cb 0.45 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3h1n h LEU 90 CO 0.02 0.81 0.04 -0.25 0.09 0.00 0.00 178.44 179.15 3h1n h TRP 91 N 1.07 0.24 -0.79 1.13 -0.00 -1.11 -1.28 115.95 115.20 3h1n h TRP 91 Ca 0.26 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 59.12 3h1n h TRP 91 Cb 0.10 -0.07 -0.04 0.00 -0.00 0.00 0.00 29.16 29.15 3h1n h TRP 91 CO 0.01 0.36 0.46 0.28 -0.00 0.00 0.00 178.44 179.55 3h1n h VAL 92 N 0.04 1.23 -0.42 2.65 2.07 -1.07 -1.31 116.25 119.43 3h1n h VAL 92 Ca 0.05 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3h1n h VAL 92 Cb 0.24 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3h1n h VAL 92 CO -0.00 0.25 0.24 -1.13 0.02 0.00 0.00 177.57 176.94 3h1n h ASN 93 N 1.09 0.52 -0.05 0.57 -1.24 -0.97 -0.13 115.58 115.37 3h1n h ASN 93 Ca 0.28 -0.08 -0.13 0.00 0.71 0.00 0.00 56.30 57.09 3h1n h ASN 93 Cb -0.01 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 38.90 3h1n h ASN 93 CO -0.05 0.45 -0.38 0.06 -1.29 0.00 0.00 177.43 176.22 3h1n h GLN 94 N 0.55 0.56 -0.36 6.67 3.07 -1.05 -0.69 115.11 123.86 3h1n h GLN 94 Ca 0.15 -0.27 0.01 0.00 0.09 0.00 0.00 58.65 58.63 3h1n h GLN 94 Cb 0.03 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.57 3h1n h GLN 94 CO -0.03 0.85 0.21 -0.07 0.09 0.00 0.00 178.83 179.89 3h1n h LEU 95 N 0.46 0.35 -0.87 0.06 3.38 -1.01 -1.14 115.31 116.54 3h1n h LEU 95 Ca 0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3h1n h LEU 95 Cb 0.87 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 3h1n h LEU 95 CO 0.07 0.26 0.57 -0.61 0.09 0.00 0.00 178.44 178.82 3h1n h GLN 96 N 0.44 1.16 -0.01 1.13 5.75 -0.69 0.52 115.11 123.40 3h1n h GLN 96 Ca 0.14 -0.08 -0.07 0.00 -0.15 0.00 0.00 58.65 58.50 3h1n h GLN 96 Cb -0.01 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.28 3h1n h GLN 96 CO -0.06 0.78 -0.31 -0.07 -2.65 0.00 0.00 178.83 176.52 3h1n h LEU 97 N 1.19 0.02 -0.05 -2.39 3.38 -0.84 0.14 115.31 116.76 3h1n h LEU 97 Ca 0.32 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 58.03 3h1n h LEU 97 Cb -0.12 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 40.64 3h1n h LEU 97 CO -0.07 0.33 -0.99 0.74 0.09 0.00 0.00 178.44 178.55 3h1n h THR 98 N 0.02 1.29 -0.89 0.22 2.02 -0.55 -0.60 112.91 114.43 3h1n h THR 98 Ca 0.00 -2.23 -0.00 0.00 0.77 0.00 0.00 66.41 64.95 3h1n h THR 98 Cb 0.55 2.32 -0.04 0.00 -1.74 0.00 0.00 68.15 69.24 3h1n h THR 98 CO 0.04 0.69 0.55 0.40 0.37 0.00 0.00 175.52 177.57 3h1n h ILE 99 N 0.40 1.24 -0.49 3.11 2.04 -0.59 -2.11 117.51 121.11 3h1n h ILE 99 Ca -0.11 -0.50 -0.07 0.00 1.00 0.00 0.00 64.86 65.18 3h1n h ILE 99 Cb 1.63 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 3h1n h ILE 99 CO 0.19 0.25 0.02 0.00 0.00 0.00 0.00 178.15 178.61 3h1n h ALA 100 N 1.30 1.11 -0.22 1.87 0.00 -0.76 -0.90 119.26 121.66 3h1n h ALA 100 Ca 0.32 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3h1n h ALA 100 Cb -0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3h1n h ALA 100 CO -0.06 0.57 0.10 -0.44 0.00 0.00 0.00 179.25 179.42 3h1n h ASP 101 N 0.76 0.14 -0.61 0.00 3.32 -0.66 -0.90 116.42 118.48 3h1n h ASP 101 Ca 0.15 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 3h1n h ASP 101 Cb 0.43 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 3h1n h ASP 101 CO 0.02 0.11 0.30 0.25 -1.72 0.00 0.00 179.24 178.20 3h1n h LEU 102 N 0.22 0.79 -0.22 1.55 5.85 -1.11 -1.66 115.31 120.72 3h1n h LEU 102 Ca 0.09 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.69 3h1n h LEU 102 Cb 0.03 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 3h1n h LEU 102 CO -0.07 0.69 0.14 0.74 -0.34 0.00 0.00 178.44 179.60 3h1n h THR 103 N 0.83 1.04 -0.62 1.05 2.02 -1.04 0.53 112.91 116.73 3h1n h THR 103 Ca 0.21 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 3h1n h THR 103 Cb 0.10 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 3h1n h THR 103 CO -0.03 0.05 0.32 0.00 0.37 0.00 0.00 175.52 176.23 3h1n h ALA 104 N 1.09 1.39 -0.30 6.16 0.00 -0.98 -2.13 119.26 124.49 3h1n h ALA 104 Ca 0.09 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3h1n h ALA 104 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3h1n h ALA 104 CO -0.03 0.49 -0.23 0.93 0.00 0.00 0.00 179.25 180.41 3h1n h GLU 105 N 0.87 0.57 0.00 0.00 5.08 -0.77 0.17 114.58 120.50 3h1n h GLU 105 Ca 0.22 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3h1n h GLU 105 Cb 0.06 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3h1n h GLU 105 CO -0.03 0.76 -0.18 0.00 -1.00 0.00 0.00 179.01 178.57 3h1n h ALA 106 N 1.24 1.40 0.09 3.43 0.00 -0.28 -1.66 119.26 123.49 3h1n h ALA 106 Ca 0.07 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 3h1n h ALA 106 Cb 0.68 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.45 3h1n h ALA 106 CO 0.05 0.22 -0.74 1.25 0.00 0.00 0.00 179.25 180.03 3h1n h HIS 107 N 0.00 0.36 0.00 0.00 -0.00 -0.87 -3.35 115.15 111.28 3h1n h HIS 107 Ca -0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 60.37 60.11 3h1n h HIS 107 Cb 0.39 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.79 3h1n h HIS 107 CO 0.00 1.28 0.00 -0.44 -0.00 0.00 0.00 177.93 178.77 3h1n h ASP 108 N -0.56 0.00 -0.62 3.26 5.19 -0.43 -2.54 116.42 120.72 3h1n h ASP 108 Ca -0.15 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.25 3h1n h ASP 108 Cb 1.48 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.96 3h1n h ASP 108 CO 0.08 0.00 0.35 -0.37 -3.12 0.00 0.00 179.24 176.18 3h1n h VAL 109 N 0.00 1.19 0.00 -1.35 -1.51 -1.45 -1.84 116.25 111.30 3h1n h VAL 109 Ca 0.00 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 3h1n h VAL 109 Cb 0.32 0.33 0.00 0.00 -2.13 0.00 0.00 31.29 29.81 3h1n h VAL 109 CO 0.00 0.21 -1.02 0.00 -1.23 0.00 0.00 177.57 175.54 3h1n n HIS 110 N -4.38 0.00 -3.06 5.19 -0.00 -1.01 -4.41 115.22 107.55 3h1n n HIS 110 Ca 0.06 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.54 3h1n n HIS 110 Cb 0.10 -0.04 -0.04 0.00 -0.00 0.00 0.00 29.99 30.01 3h1n n HIS 110 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3h1n n HIS 111 N -1.53 2.66 0.23 -1.40 -0.00 -0.99 -4.59 115.22 109.61 3h1n n HIS 111 Ca 0.03 -3.94 0.12 0.00 -0.00 0.00 0.00 57.72 53.94 3h1n n HIS 111 Cb 0.33 -0.47 0.40 0.00 -0.00 0.00 0.00 29.99 30.25 3h1n n HIS 111 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3h1n h PRO 112 N 3.10 0.00 0.01 -0.41 0.13 -1.56 -3.31 132.00 129.97 3h1n h PRO 112 Ca 0.12 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.94 3h1n h PRO 112 Cb 0.67 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.76 3h1n h PRO 112 CO 0.71 0.11 -1.69 0.28 -0.23 0.00 0.00 178.00 177.17 3h1n n VAL 113 N -3.18 1.56 -3.64 1.56 0.31 -1.26 -5.02 118.33 108.66 3h1n n VAL 113 Ca 0.02 -0.20 -0.06 0.00 -0.01 0.00 0.00 64.34 64.09 3h1n n VAL 113 Cb 0.45 -1.95 -0.07 0.00 -0.91 0.00 0.00 33.84 31.36 3h1n n VAL 113 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h1n s ALA 114 N -2.42 -1.95 0.47 3.52 0.00 -1.25 -5.02 121.76 115.11 3h1n s ALA 114 Ca -0.31 2.39 0.16 0.00 0.00 0.00 0.00 51.96 54.21 3h1n s ALA 114 Cb 0.08 -1.50 1.13 0.00 0.00 0.00 0.00 23.12 22.83 3h1n s ALA 114 CO 0.59 -0.42 2.05 0.00 0.00 0.00 0.00 175.76 177.97 3h1n h ALA 115 N 6.96 1.74 -0.00 0.00 0.00 -1.96 -2.67 119.26 123.33 3h1n h ALA 115 Ca -0.29 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3h1n h ALA 115 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3h1n h ALA 115 CO 0.16 0.16 -0.08 0.41 0.00 0.00 0.00 179.25 179.90 3h1n n GLY 116 N -1.14 -0.85 3.74 0.00 0.00 -1.26 -4.87 105.19 100.81 3h1n n GLY 116 Ca -0.03 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 3h1n n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1n s LEU 117 N -2.35 3.56 0.52 0.99 1.43 -1.01 -5.10 118.68 116.73 3h1n s LEU 117 Ca 0.33 -0.31 -0.20 0.00 -1.03 0.00 0.00 54.13 52.92 3h1n s LEU 117 Cb 0.20 -2.16 -0.07 0.00 0.03 0.00 0.00 46.19 44.20 3h1n s LEU 117 CO 0.44 0.04 1.10 -0.31 0.23 0.00 0.00 176.35 177.85 3h1n s TYR 118 N -1.91 2.78 0.21 0.29 2.02 -1.26 -4.90 117.35 114.58 3h1n s TYR 118 Ca 0.30 1.55 -0.10 0.00 -0.37 0.00 0.00 57.07 58.46 3h1n s TYR 118 Cb -0.09 -3.21 0.28 0.00 -0.40 0.00 0.00 41.96 38.53 3h1n s TYR 118 CO 0.22 -1.32 1.73 -0.92 -1.57 0.00 0.00 175.55 173.68 3h1n h TYR 119 N 1.32 0.31 -0.41 2.71 3.20 -1.94 -2.46 116.97 119.70 3h1n h TYR 119 Ca -0.50 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.50 3h1n h TYR 119 Cb 1.25 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.45 3h1n h TYR 119 CO 0.53 0.04 0.29 0.93 -1.64 0.00 0.00 178.16 178.31 3h1n h GLU 120 N 0.34 0.10 -0.00 1.82 3.07 -1.92 0.14 114.58 118.12 3h1n h GLU 120 Ca 0.30 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 3h1n h GLU 120 Cb 0.41 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 3h1n h GLU 120 CO -0.34 0.06 -0.09 -0.25 -1.40 0.00 0.00 179.01 176.99 3h1n n ASP 121 N -4.44 0.24 -0.81 1.42 8.00 -0.93 -3.58 116.55 116.45 3h1n n ASP 121 Ca 0.06 -0.21 0.04 0.00 0.71 0.00 0.00 54.79 55.39 3h1n n ASP 121 Cb 0.42 -0.19 0.07 0.00 -0.02 0.00 0.00 41.12 41.40 3h1n n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h1n n GLN 122 N -1.21 0.48 -0.24 -1.24 10.64 -0.05 -4.89 117.38 120.87 3h1n n GLN 122 Ca 0.12 -2.01 -0.07 0.00 -1.83 0.00 0.00 57.00 53.22 3h1n n GLN 122 Cb 0.28 -0.67 0.04 0.00 -0.86 0.00 0.00 30.24 29.04 3h1n n GLN 122 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 3h1n h GLN 123 N 0.53 0.99 -0.75 2.61 4.15 -1.39 -0.82 115.11 120.44 3h1n h GLN 123 Ca -0.08 -0.17 0.02 0.00 0.77 0.00 0.00 58.65 59.19 3h1n h GLN 123 Cb 1.45 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 28.93 3h1n h GLN 123 CO 0.04 0.81 0.48 -0.44 -1.93 0.00 0.00 178.83 177.79 3h1n h ASP 124 N 0.95 0.81 -0.45 -0.69 3.32 -1.89 -1.06 116.42 117.40 3h1n h ASP 124 Ca 0.23 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 3h1n h ASP 124 Cb 0.17 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3h1n h ASP 124 CO -0.02 0.57 0.02 0.58 -1.72 0.00 0.00 179.24 178.67 3h1n h VAL 125 N 0.96 1.26 -0.94 -1.35 2.07 -1.89 -3.05 116.25 113.31 3h1n h VAL 125 Ca 0.29 -1.00 0.09 0.00 0.82 0.00 0.00 66.70 66.90 3h1n h VAL 125 Cb -0.03 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 3h1n h VAL 125 CO -0.10 0.35 0.58 0.00 0.02 0.00 0.00 177.57 178.42 3h1n h ALA 126 N 0.92 1.35 -0.96 1.67 0.00 -0.46 -0.44 119.26 121.35 3h1n h ALA 126 Ca 0.13 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3h1n h ALA 126 Cb 0.46 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3h1n h ALA 126 CO 0.02 0.25 0.63 -0.07 0.00 0.00 0.00 179.25 180.07 3h1n h LEU 127 N 0.98 1.05 -0.02 0.00 3.38 -1.11 0.16 115.31 119.76 3h1n h LEU 127 Ca 0.44 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 3h1n h LEU 127 Cb 0.34 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3h1n h LEU 127 CO -0.23 0.73 -0.01 0.03 0.09 0.00 0.00 178.44 179.05 3h1n h ARG 128 N 1.22 0.04 -0.92 1.13 3.08 -1.19 -2.81 114.38 114.93 3h1n h ARG 128 Ca 0.38 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.41 3h1n h ARG 128 Cb -0.02 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 3h1n h ARG 128 CO -0.12 0.47 0.59 -0.09 -1.07 0.00 0.00 179.97 179.75 3h1n h ARG 129 N -0.39 1.22 -0.97 0.04 2.43 -0.90 -2.84 114.38 112.97 3h1n h ARG 129 Ca 0.00 -0.09 0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3h1n h ARG 129 Cb 0.46 -0.27 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 3h1n h ARG 129 CO 0.00 0.83 0.64 0.00 -1.51 0.00 0.00 179.97 179.93 3h1n h ALA 130 N 1.32 1.38 -0.75 2.80 0.00 -0.68 -1.14 119.26 122.20 3h1n h ALA 130 Ca 0.33 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.22 3h1n h ALA 130 Cb -0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.30 3h1n h ALA 130 CO -0.07 0.52 0.49 0.00 0.00 0.00 0.00 179.25 180.19 3h1n h ALA 131 N 1.44 0.96 -0.32 0.00 0.00 -1.24 0.36 119.26 120.45 3h1n h ALA 131 Ca 0.39 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.08 3h1n h ALA 131 Cb 0.03 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3h1n h ALA 131 CO -0.12 0.33 -0.49 0.22 0.00 0.00 0.00 179.25 179.18 3h1n h ASP 132 N 0.98 0.96 -0.38 0.00 3.58 -1.44 -1.64 116.42 118.47 3h1n h ASP 132 Ca 0.28 -0.49 -0.03 0.00 0.42 0.00 0.00 57.03 57.22 3h1n h ASP 132 Cb -0.07 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.69 3h1n h ASP 132 CO -0.08 1.28 0.12 0.15 -2.88 0.00 0.00 179.24 177.84 3h1n h PHE 133 N 0.69 0.61 -0.22 0.28 3.57 -0.80 0.67 116.94 121.74 3h1n h PHE 133 Ca 0.03 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 3h1n h PHE 133 Cb 1.09 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 3h1n h PHE 133 CO 0.07 0.57 -0.02 0.00 -2.23 0.00 0.00 178.31 176.70 3h1n h ARG 134 N 0.47 0.40 0.02 1.11 3.08 -0.97 -2.83 114.38 115.66 3h1n h ARG 134 Ca 0.12 -0.14 -0.17 0.00 0.07 0.00 0.00 59.98 59.87 3h1n h ARG 134 Cb 0.24 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.28 3h1n h ARG 134 CO -0.00 0.61 -0.68 0.93 -1.07 0.00 0.00 179.97 179.75 3h1n h GLU 135 N 0.16 0.43 0.00 0.04 5.08 -1.13 -3.40 114.58 115.76 3h1n h GLU 135 Ca 0.06 -0.49 -0.11 0.00 -1.00 0.00 0.00 59.36 57.82 3h1n h GLU 135 Cb 0.44 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3h1n h GLU 135 CO 0.01 1.15 -1.43 0.25 -1.00 0.00 0.00 179.01 177.99 3h1n n THR 136 N -4.17 0.44 0.88 1.13 -2.24 0.20 -4.74 114.28 105.78 3h1n n THR 136 Ca -0.11 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3h1n n THR 136 Cb 0.72 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 3h1n n THR 136 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3h1n n ARG 137 N -2.74 0.84 0.00 -0.78 5.12 -1.01 -2.41 116.66 115.68 3h1n n ARG 137 Ca -0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 3h1n n ARG 137 Cb 0.64 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.54 3h1n n ARG 137 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3h1n n PRO 139 N 0.05 0.00 0.09 5.56 -0.02 -1.26 -1.55 135.00 137.87 3h1n n PRO 139 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 3h1n n PRO 139 Cb 0.20 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.60 3h1n n PRO 139 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3h1n h LYS 140 N 0.00 -0.18 -0.29 -0.52 3.64 -1.84 -0.34 116.57 117.04 3h1n h LYS 140 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3h1n h LYS 140 Cb 0.00 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3h1n h LYS 140 CO 0.00 0.03 0.00 1.19 -2.27 0.00 0.00 179.45 178.40 3h1n n PHE 141 N -5.09 0.00 0.00 1.91 3.72 -0.60 -1.64 117.46 115.76 3h1n n PHE 141 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3h1n n PHE 141 Cb 0.17 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 3h1n n PHE 141 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3h1n n GLN 143 N 0.55 0.00 -0.02 -1.08 -0.06 -0.14 -1.58 117.38 115.05 3h1n n GLN 143 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 54.90 3h1n n GLN 143 Cb 0.00 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.14 3h1n n GLN 143 CO 0.00 0.00 0.00 -0.92 -0.20 0.00 0.00 177.06 175.94 3h1n h TYR 144 N 0.00 0.02 -0.39 3.69 3.20 -1.54 -1.38 116.97 120.57 3h1n h TYR 144 Ca 0.00 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 3h1n h TYR 144 Cb 0.00 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 3h1n h TYR 144 CO 0.00 0.00 -0.03 0.74 -1.64 0.00 0.00 178.16 177.23 3h1n h PHE 145 N 0.07 0.67 -0.94 -3.82 0.04 -1.57 -0.22 116.94 111.18 3h1n h PHE 145 Ca 0.06 -0.09 0.06 0.00 2.80 0.00 0.00 57.97 60.81 3h1n h PHE 145 Cb 0.07 -0.19 -0.06 0.00 2.20 0.00 0.00 35.95 37.96 3h1n h PHE 145 CO -0.13 0.66 0.60 1.49 -0.60 0.00 0.00 178.31 180.32 3h1n h GLU 146 N 0.60 1.05 -0.03 1.51 4.57 -1.73 -1.72 114.58 118.83 3h1n h GLU 146 Ca 0.12 -0.06 -0.25 0.00 -1.18 0.00 0.00 59.36 57.99 3h1n h GLU 146 Cb 0.42 -0.24 0.01 0.00 -0.16 0.00 0.00 28.75 28.79 3h1n h GLU 146 CO 0.02 0.70 -0.96 1.96 -1.18 0.00 0.00 179.01 179.54 3h1n h GLN 147 N 1.08 0.65 -0.39 1.92 1.08 -0.66 -3.17 115.11 115.63 3h1n h GLN 147 Ca 0.40 -0.66 0.06 0.00 -1.45 0.00 0.00 58.65 57.01 3h1n h GLN 147 Cb 0.16 0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 3h1n h GLN 147 CO -0.17 1.26 0.26 0.00 -0.95 0.00 0.00 178.83 179.23 3h1n h ALA 148 N 0.52 2.04 -0.00 3.87 0.00 -0.76 -0.89 119.26 124.04 3h1n h ALA 148 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3h1n h ALA 148 Cb 1.60 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3h1n h ALA 148 CO 0.19 -0.12 -0.00 1.28 0.00 0.00 0.00 179.25 180.60 3h1n n LEU 149 N -4.47 0.41 -4.07 0.00 4.77 -0.67 -4.64 117.00 108.32 3h1n n LEU 149 Ca 0.05 -0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.47 3h1n n LEU 149 Cb 0.27 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3h1n n LEU 149 CO 0.35 0.07 2.37 -0.67 -1.33 0.00 0.00 177.39 178.18 3h1n n ASP 150 N -0.68 4.34 -3.55 -1.43 2.03 -0.34 -4.82 116.55 112.10 3h1n n ASP 150 Ca 0.22 -2.88 -0.13 0.00 0.52 0.00 0.00 54.79 52.53 3h1n n ASP 150 Cb 0.18 -1.69 -0.04 0.00 -0.72 0.00 0.00 41.12 38.85 3h1n n ASP 150 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h1n s ARG 151 N 3.49 1.11 0.59 -0.67 1.70 -1.26 -5.09 118.95 118.81 3h1n s ARG 151 Ca 0.49 -0.41 -0.18 0.00 -0.47 0.00 0.00 55.73 55.16 3h1n s ARG 151 Cb 0.10 0.50 -0.03 0.00 -0.57 0.00 0.00 34.95 34.95 3h1n s ARG 151 CO -0.02 -0.43 1.14 -1.25 -1.08 0.00 0.00 175.30 173.66 3h1n s PRO 152 N -3.13 3.08 0.00 3.89 0.04 -1.26 -4.14 135.00 133.48 3h1n s PRO 152 Ca -0.02 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.61 3h1n s PRO 152 Cb -0.00 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.57 3h1n s PRO 152 CO -0.07 -1.06 0.00 0.41 0.04 0.00 0.00 177.00 176.31 3h1n n GLY 153 N 0.03 1.64 2.21 0.56 0.00 -1.26 -4.67 105.19 103.70 3h1n n GLY 153 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 3h1n n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1n n GLY 154 N -0.82 0.91 3.46 -0.02 0.00 -1.26 -4.96 105.19 102.50 3h1n n GLY 154 Ca 0.00 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 3h1n n GLY 154 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h1n s TRP 155 N -2.25 1.77 -0.09 1.61 0.52 -1.26 -4.80 118.94 114.43 3h1n s TRP 155 Ca 0.00 -1.27 0.27 0.00 0.02 0.00 0.00 56.10 55.13 3h1n s TRP 155 Cb 0.00 -1.09 0.87 0.00 -1.15 0.00 0.00 33.47 32.10 3h1n s TRP 155 CO 0.00 -0.32 1.80 -0.07 0.02 0.00 0.00 176.95 178.38 3h1n h LEU 156 N 1.95 0.00 -9.70 2.99 3.38 -1.90 -3.44 115.31 108.59 3h1n h LEU 156 Ca -0.35 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.00 3h1n h LEU 156 Cb 1.26 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.88 3h1n h LEU 156 CO 0.57 0.07 -0.56 0.42 0.09 0.00 0.00 178.44 179.03 3h1n s THR 157 N -3.47 1.42 -1.07 0.22 -4.23 -1.26 -4.86 115.64 102.40 3h1n s THR 157 Ca 0.03 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.43 3h1n s THR 157 Cb 0.08 -2.60 0.25 0.00 1.34 0.00 0.00 72.50 71.57 3h1n s THR 157 CO 0.61 0.00 1.08 -1.81 -0.54 0.00 0.00 174.62 173.97 3h1n s ASP 158 N -3.72 7.18 0.00 3.99 1.01 -1.26 -4.88 116.67 118.99 3h1n s ASP 158 Ca 0.24 -3.33 0.00 0.00 0.71 0.00 0.00 52.55 50.17 3h1n s ASP 158 Cb 0.06 -2.24 0.00 0.00 1.01 0.00 0.00 42.92 41.76 3h1n s ASP 158 CO 0.12 -0.41 0.31 0.61 0.21 0.00 0.00 175.17 176.01 3h1n n GLY 160 N 3.16 -0.03 3.82 0.21 0.00 -1.26 -5.14 105.19 105.94 3h1n n GLY 160 Ca 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 3h1n n GLY 160 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3h1n s ARG 161 N 0.00 1.58 0.56 1.61 1.70 -1.26 -5.16 118.95 117.98 3h1n s ARG 161 Ca 0.00 -0.91 -0.21 0.00 -0.47 0.00 0.00 55.73 54.14 3h1n s ARG 161 Cb 0.00 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.85 3h1n s ARG 161 CO 0.00 -0.73 1.31 1.67 -1.08 0.00 0.00 175.30 176.47 3h1n s TRP 162 N -3.31 2.32 0.44 5.89 1.48 -1.26 -4.83 118.94 119.67 3h1n s TRP 162 Ca 0.13 1.43 0.06 0.00 -1.06 0.00 0.00 56.10 56.66 3h1n s TRP 162 Cb -0.04 -3.70 -0.04 0.00 -1.16 0.00 0.00 33.47 28.54 3h1n s TRP 162 CO 0.06 -2.68 0.16 -1.54 -4.06 0.00 0.00 176.95 168.89 3h1n s SER 163 N -1.16 4.33 0.48 -2.66 1.04 -1.26 -4.84 113.70 109.62 3h1n s SER 163 Ca 0.74 -1.23 0.19 0.00 0.48 0.00 0.00 55.95 56.13 3h1n s SER 163 Cb -0.37 -0.20 1.18 0.00 0.10 0.00 0.00 66.02 66.73 3h1n s SER 163 CO 0.43 -0.65 2.03 0.10 0.98 0.00 0.00 173.24 176.12 3h1n h TYR 164 N 1.37 0.00 -0.28 5.02 -0.00 -1.41 -1.90 116.97 119.78 3h1n h TYR 164 Ca -0.42 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.25 3h1n h TYR 164 Cb 1.27 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.98 3h1n h TYR 164 CO 0.83 0.16 -0.08 0.00 -0.00 0.00 0.00 178.16 179.06 3h1n h ALA 165 N 1.84 1.34 -0.66 0.10 0.00 -1.87 -1.03 119.26 118.98 3h1n h ALA 165 Ca -0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3h1n h ALA 165 Cb 0.32 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3h1n h ALA 165 CO 0.02 0.45 0.29 -0.44 0.00 0.00 0.00 179.25 179.57 3h1n h ASP 166 N 0.43 0.88 -0.52 0.00 3.32 -1.74 0.05 116.42 118.84 3h1n h ASP 166 Ca 0.09 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 3h1n h ASP 166 Cb 0.42 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3h1n h ASP 166 CO 0.02 0.79 0.06 -0.07 -1.72 0.00 0.00 179.24 178.32 3h1n h LEU 167 N 0.92 0.84 -1.09 1.55 3.38 -1.31 -1.84 115.31 117.75 3h1n h LEU 167 Ca 0.22 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3h1n h LEU 167 Cb 0.16 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3h1n h LEU 167 CO -0.02 0.90 0.29 0.28 0.09 0.00 0.00 178.44 179.97 3h1n h SER 168 N 0.75 0.84 -0.34 -0.43 0.02 -1.05 -1.52 113.55 111.81 3h1n h SER 168 Ca 0.15 -0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 3h1n h SER 168 Cb 0.43 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 3h1n h SER 168 CO 0.01 0.73 -0.21 0.25 -1.14 0.00 0.00 176.83 176.48 3h1n h LEU 169 N 0.92 0.77 -0.60 5.07 5.85 -0.74 -0.21 115.31 126.36 3h1n h LEU 169 Ca 0.22 -0.42 0.07 0.00 0.84 0.00 0.00 57.88 58.59 3h1n h LEU 169 Cb 0.13 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 3h1n h LEU 169 CO -0.03 1.03 0.28 0.22 -0.34 0.00 0.00 178.44 179.60 3h1n h TYR 170 N 0.52 0.50 -0.38 1.25 3.20 -1.11 -2.19 116.97 118.76 3h1n h TYR 170 Ca 0.07 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 3h1n h TYR 170 Cb 0.76 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 3h1n h TYR 170 CO 0.06 0.19 -0.18 1.25 -1.64 0.00 0.00 178.16 177.84 3h1n h HIS 171 N 0.51 0.92 -0.31 -3.82 2.76 -0.61 -1.04 115.15 113.55 3h1n h HIS 171 Ca 0.29 -0.23 -0.04 0.00 -2.20 0.00 0.00 60.37 58.19 3h1n h HIS 171 Cb 0.27 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 3h1n h HIS 171 CO -0.12 0.97 0.03 -0.24 -1.30 0.00 0.00 177.93 177.27 3h1n h VAL 172 N 0.59 1.17 -0.45 5.26 3.04 -0.94 -0.08 116.25 124.85 3h1n h VAL 172 Ca 0.08 -0.65 -0.14 0.00 -1.01 0.00 0.00 66.70 64.99 3h1n h VAL 172 Cb 0.73 0.90 -0.01 0.00 -2.01 0.00 0.00 31.29 30.90 3h1n h VAL 172 CO 0.06 0.23 -0.28 0.58 -1.01 0.00 0.00 177.57 177.14 3h1n h VAL 173 N 0.45 1.27 -0.56 1.51 2.07 -1.09 -0.79 116.25 119.13 3h1n h VAL 173 Ca 0.10 -1.45 0.04 0.00 0.82 0.00 0.00 66.70 66.22 3h1n h VAL 173 Cb 0.25 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3h1n h VAL 173 CO 0.00 0.49 0.31 -0.33 0.02 0.00 0.00 177.57 178.06 3h1n h GLU 174 N 0.82 0.57 -0.54 1.57 4.39 -0.57 -0.16 114.58 120.67 3h1n h GLU 174 Ca 0.09 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3h1n h GLU 174 Cb 0.86 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.35 3h1n h GLU 174 CO 0.08 0.38 0.34 0.78 -1.16 0.00 0.00 179.01 179.43 3h1n h GLY 175 N 0.59 0.77 1.25 -3.84 0.00 -0.76 -2.07 103.07 99.01 3h1n h GLY 175 Ca 0.24 -0.30 -0.12 0.00 0.00 0.00 0.00 47.33 47.14 3h1n h GLY 175 CO -0.14 0.29 -0.23 1.41 0.00 0.00 0.00 176.54 177.87 3h1n h LEU 176 N 0.73 0.88 -1.31 3.11 3.38 -0.89 -1.09 115.31 120.11 3h1n h LEU 176 Ca 0.20 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3h1n h LEU 176 Cb -0.05 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 3h1n h LEU 176 CO -0.04 1.07 0.48 -0.07 0.09 0.00 0.00 178.44 179.97 3h1n h LEU 177 N 0.74 0.78 -0.02 1.67 3.38 -0.87 0.10 115.31 121.09 3h1n h LEU 177 Ca 0.10 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3h1n h LEU 177 Cb 0.77 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3h1n h LEU 177 CO 0.06 0.54 -0.25 -0.74 0.09 0.00 0.00 178.44 178.14 3h1n h HIS 178 N 0.91 0.29 0.05 1.13 2.76 -1.10 -3.28 115.15 115.91 3h1n h HIS 178 Ca 0.29 -0.14 -0.24 0.00 -2.20 0.00 0.00 60.37 58.07 3h1n h HIS 178 Cb 0.02 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 28.94 3h1n h HIS 178 CO -0.00 0.91 -1.05 0.00 -1.30 0.00 0.00 177.93 176.49 3h1n h ALA 179 N 0.31 0.29 -1.92 5.26 0.00 -1.01 -3.39 119.26 118.80 3h1n h ALA 179 Ca -0.03 -0.79 -0.49 0.00 0.00 0.00 0.00 54.91 53.60 3h1n h ALA 179 Cb 0.97 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 18.32 3h1n h ALA 179 CO 0.05 0.92 -1.06 1.19 0.00 0.00 0.00 179.25 180.35 3h1n n PHE 180 N -3.62 1.29 -0.20 0.00 3.72 0.33 -4.28 117.46 114.70 3h1n n PHE 180 Ca -0.06 -3.70 -0.00 0.00 -0.05 0.00 0.00 57.45 53.63 3h1n n PHE 180 Cb 0.91 -0.42 0.24 0.00 -0.94 0.00 0.00 39.48 39.27 3h1n n PHE 180 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3h1n h PRO 181 N 2.98 0.96 -0.16 -1.08 0.13 -1.70 -2.88 132.00 130.24 3h1n h PRO 181 Ca 0.09 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 65.11 3h1n h PRO 181 Cb 0.89 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 3h1n h PRO 181 CO 0.59 0.67 -0.01 0.00 -0.23 0.00 0.00 178.00 179.01 3h1n h ARG 182 N 0.97 0.30 -1.76 0.86 3.08 -1.91 -0.73 114.38 115.20 3h1n h ARG 182 Ca 0.25 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3h1n h ARG 182 Cb -0.04 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3h1n h ARG 182 CO -0.05 0.54 0.00 -2.13 -1.07 0.00 0.00 179.97 177.26 3h1n n ARG 183 N -4.72 0.19 0.00 0.04 3.00 -0.81 -2.79 116.66 111.57 3h1n n ARG 183 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 3h1n n ARG 183 Cb 0.23 -1.40 0.00 0.00 0.00 0.00 0.00 32.46 31.30 3h1n n ARG 183 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3h1n n ARG 185 N 0.89 0.00 -0.11 -0.14 0.63 -0.28 -1.71 116.66 115.94 3h1n n ARG 185 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 3h1n n ARG 185 Cb 0.09 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.97 3h1n n ARG 185 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 3h1n h THR 186 N 0.00 1.28 0.04 5.15 2.02 -1.79 -3.39 112.91 116.23 3h1n h THR 186 Ca 0.00 -1.46 -0.31 0.00 0.77 0.00 0.00 66.41 65.41 3h1n h THR 186 Cb 0.00 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 3h1n h THR 186 CO 0.00 0.48 -1.73 -0.07 0.37 0.00 0.00 175.52 174.57 3h1n h LEU 187 N 0.62 0.12 -1.71 2.58 3.38 -1.64 -3.41 115.31 115.25 3h1n h LEU 187 Ca 0.06 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.80 3h1n h LEU 187 Cb 0.88 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3h1n h LEU 187 CO 0.08 1.23 0.23 -0.37 0.09 0.00 0.00 178.44 179.69 3h1n h VAL 188 N 0.02 1.04 0.00 1.22 -1.51 -1.83 -0.93 116.25 114.25 3h1n h VAL 188 Ca -0.30 -0.13 -0.01 0.00 -1.23 0.00 0.00 66.70 65.03 3h1n h VAL 188 Cb 2.01 0.62 -0.00 0.00 -2.13 0.00 0.00 31.29 31.79 3h1n h VAL 188 CO 0.09 0.07 -0.03 1.12 -1.23 0.00 0.00 177.57 177.59 3h1n h HIS 189 N 0.38 0.00 0.00 5.19 2.07 -1.85 -1.93 115.15 119.00 3h1n h HIS 189 Ca 0.14 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.62 3h1n h HIS 189 Cb 0.08 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.05 3h1n h HIS 189 CO -0.00 0.03 -0.19 0.00 -3.07 0.00 0.00 177.93 174.70 3h1n h ARG 190 N 0.00 0.00 -2.20 5.12 3.08 -1.45 -3.37 114.38 115.55 3h1n h ARG 190 Ca -0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3h1n h ARG 190 Cb 0.07 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 29.70 3h1n h ARG 190 CO 0.00 0.19 -0.71 0.66 -1.07 0.00 0.00 179.97 179.05 3h1n n TYR 191 N -3.62 3.18 -0.24 3.04 4.01 -0.73 -4.93 117.16 117.87 3h1n n TYR 191 Ca -0.01 -4.01 -0.00 0.00 -0.16 0.00 0.00 57.90 53.72 3h1n n TYR 191 Cb 0.32 -0.50 0.22 0.00 -0.31 0.00 0.00 39.34 39.08 3h1n n TYR 191 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3h1n h PRO 192 N 3.54 1.04 -0.35 -0.72 0.13 -1.74 -2.61 132.00 131.28 3h1n h PRO 192 Ca 0.15 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 65.14 3h1n h PRO 192 Cb 0.64 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 3h1n h PRO 192 CO 0.77 0.70 -0.05 0.00 -0.23 0.00 0.00 178.00 179.19 3h1n h ARG 193 N 1.06 0.64 0.00 0.86 3.08 -1.91 0.88 114.38 118.99 3h1n h ARG 193 Ca 0.28 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3h1n h ARG 193 Cb -0.10 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 29.90 3h1n h ARG 193 CO -0.06 0.79 0.00 -0.11 -1.07 0.00 0.00 179.97 179.52 3h1n n LEU 194 N -4.45 0.00 0.00 3.04 7.94 -0.99 -0.49 117.00 122.05 3h1n n LEU 194 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 3h1n n LEU 194 Cb 0.31 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.26 3h1n n LEU 194 CO 0.41 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.69 3h1n n ALA 196 N 0.46 0.00 -0.09 1.96 0.00 0.30 -1.25 120.51 121.88 3h1n n ALA 196 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3h1n n ALA 196 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3h1n n ALA 196 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3h1n h LEU 197 N 0.00 0.37 -0.37 0.00 6.46 -1.03 -0.50 115.31 120.24 3h1n h LEU 197 Ca 0.00 -0.05 0.05 0.00 -0.12 0.00 0.00 57.88 57.77 3h1n h LEU 197 Cb 0.00 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 39.79 3h1n h LEU 197 CO 0.00 0.31 0.08 -0.74 -0.62 0.00 0.00 178.44 177.46 3h1n h HIS 198 N 0.39 0.13 -0.34 1.25 2.76 -1.44 -1.34 115.15 116.57 3h1n h HIS 198 Ca 0.11 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.22 3h1n h HIS 198 Cb 0.01 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 3h1n h HIS 198 CO -0.04 0.02 -0.14 0.00 -1.30 0.00 0.00 177.93 176.47 3h1n h ALA 199 N 1.27 1.14 -0.20 5.26 0.00 -1.79 -2.18 119.26 122.76 3h1n h ALA 199 Ca 0.18 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3h1n h ALA 199 Cb 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3h1n h ALA 199 CO -0.23 0.54 0.02 -0.09 0.00 0.00 0.00 179.25 179.50 3h1n h ARG 200 N 0.54 0.34 -0.57 0.00 2.43 -0.33 -2.54 114.38 114.25 3h1n h ARG 200 Ca 0.09 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3h1n h ARG 200 Cb 0.55 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 3h1n h ARG 200 CO 0.03 0.51 0.16 0.28 -1.51 0.00 0.00 179.97 179.44 3h1n h VAL 201 N 0.13 1.24 -0.54 0.20 2.07 -1.21 -2.42 116.25 115.72 3h1n h VAL 201 Ca 0.06 -0.85 0.14 0.00 0.82 0.00 0.00 66.70 66.87 3h1n h VAL 201 Cb 0.34 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3h1n h VAL 201 CO 0.01 0.32 0.38 0.00 0.02 0.00 0.00 177.57 178.29 3h1n h ALA 202 N 1.04 2.36 -0.02 1.67 0.00 -1.28 -2.25 119.26 120.78 3h1n h ALA 202 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3h1n h ALA 202 Cb 0.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3h1n h ALA 202 CO -0.00 -0.51 -0.19 0.39 0.00 0.00 0.00 179.25 178.94 3h1n n GLU 203 N -4.41 1.43 -1.68 0.00 -0.58 -0.94 -4.85 120.64 109.60 3h1n n GLU 203 Ca 0.10 -1.01 -0.45 0.00 -0.42 0.00 0.00 57.16 55.38 3h1n n GLU 203 Cb 0.54 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.89 3h1n n GLU 203 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3h1n n LEU 204 N 0.09 3.52 -0.03 -4.62 4.77 -0.85 -4.86 117.00 115.02 3h1n n LEU 204 Ca 0.14 1.04 0.09 0.00 -0.03 0.00 0.00 56.01 57.25 3h1n n LEU 204 Cb 0.43 -1.47 0.49 0.00 -2.33 0.00 0.00 43.42 40.54 3h1n n LEU 204 CO 0.22 -0.07 1.17 -0.65 -1.33 0.00 0.00 177.39 176.73 3h1n h PRO 205 N 7.23 0.40 0.00 3.23 0.11 -1.93 -0.95 132.00 140.09 3h1n h PRO 205 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3h1n h PRO 205 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3h1n h PRO 205 CO 0.92 0.27 0.00 -0.85 -0.21 0.00 0.00 178.00 178.13 3h1n n GLU 206 N -4.47 0.18 0.00 1.05 0.00 -1.26 -2.47 120.64 113.66 3h1n n GLU 206 Ca 0.07 0.40 0.08 0.00 0.00 0.00 0.00 57.16 57.71 3h1n n GLU 206 Cb 0.25 -1.83 -0.07 0.00 0.00 0.00 0.00 31.44 29.79 3h1n n GLU 206 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3h1n n LEU 207 N -2.17 1.08 -0.01 -1.84 4.77 -0.41 -4.25 117.00 114.17 3h1n n LEU 207 Ca 0.02 -0.57 -0.09 0.00 -0.03 0.00 0.00 56.01 55.34 3h1n n LEU 207 Cb 0.23 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3h1n n LEU 207 CO 0.20 0.24 0.72 -0.09 -1.33 0.00 0.00 177.39 177.13 3h1n h ARG 208 N 0.54 -0.24 0.06 3.23 9.65 -1.11 -1.33 114.38 125.18 3h1n h ARG 208 Ca 0.00 0.02 0.01 0.00 -1.10 0.00 0.00 59.98 58.90 3h1n h ARG 208 Cb 0.47 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.09 3h1n h ARG 208 CO 0.00 -0.16 -0.08 0.78 2.80 0.00 0.00 179.97 183.31 3h1n h GLY 209 N -0.25 -0.15 0.81 2.80 0.00 -1.85 -2.98 103.07 101.46 3h1n h GLY 209 Ca 0.11 0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.56 3h1n h GLY 209 CO -0.30 -0.09 0.21 -1.82 0.00 0.00 0.00 176.54 174.54 3h1n h TYR 210 N -0.17 0.38 0.00 5.60 5.03 -1.78 -2.35 116.97 123.68 3h1n h TYR 210 Ca 0.01 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.34 3h1n h TYR 210 Cb 0.17 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.34 3h1n h TYR 210 CO -0.12 0.20 0.00 1.28 -1.32 0.00 0.00 178.16 178.21 3h1n n LEU 211 N -4.91 0.70 -0.76 2.82 4.77 -0.53 -1.92 117.00 117.16 3h1n n LEU 211 Ca 0.02 0.66 0.08 0.00 -0.03 0.00 0.00 56.01 56.74 3h1n n LEU 211 Cb 0.09 -0.56 0.11 0.00 -2.33 0.00 0.00 43.42 40.74 3h1n n LEU 211 CO 0.30 -0.54 0.57 0.00 -1.33 0.00 0.00 177.39 176.39 3h1n n ALA 212 N -1.78 2.42 -1.97 -1.18 0.00 -1.02 -4.93 120.51 112.05 3h1n n ALA 212 Ca 0.02 -0.78 -0.22 0.00 0.00 0.00 0.00 53.44 52.46 3h1n n ALA 212 Cb 0.25 -0.60 0.06 0.00 0.00 0.00 0.00 19.45 19.16 3h1n n ALA 212 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3h1n s SER 213 N -1.31 5.03 0.08 0.00 1.04 -0.81 -4.98 113.70 112.74 3h1n s SER 213 Ca 0.24 -0.06 0.20 0.00 0.48 0.00 0.00 55.95 56.81 3h1n s SER 213 Cb 0.15 -0.69 0.84 0.00 0.10 0.00 0.00 66.02 66.42 3h1n s SER 213 CO 0.22 -1.35 1.64 0.47 0.98 0.00 0.00 173.24 175.20 3h1n n ASP 214 N -2.50 0.22 0.24 7.02 8.00 -1.26 -3.34 116.55 124.92 3h1n n ASP 214 Ca 0.10 0.54 0.14 0.00 0.71 0.00 0.00 54.79 56.28 3h1n n ASP 214 Cb 0.60 -0.59 0.36 0.00 -0.02 0.00 0.00 41.12 41.47 3h1n n ASP 214 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3h1n h ARG 215 N 0.00 0.00 -5.31 -1.24 3.08 -1.94 -3.41 114.38 105.57 3h1n h ARG 215 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 3h1n h ARG 215 Cb 0.36 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.26 3h1n h ARG 215 CO 0.00 0.02 0.29 0.50 -1.07 0.00 0.00 179.97 179.71 3h1n s ARG 216 N -3.38 3.19 0.23 0.04 6.06 -1.21 -5.05 118.95 118.83 3h1n s ARG 216 Ca 0.05 -0.70 -0.29 0.00 -2.50 0.00 0.00 55.73 52.29 3h1n s ARG 216 Cb 0.07 -4.11 -0.09 0.00 0.06 0.00 0.00 34.95 30.88 3h1n s ARG 216 CO 0.62 -1.40 0.91 -0.51 -2.50 0.00 0.00 175.30 172.42 3h1n s LEU 217 N 3.25 4.62 0.73 -0.88 1.43 -1.26 -4.95 118.68 121.62 3h1n s LEU 217 Ca 0.21 1.89 -0.11 0.00 -1.03 0.00 0.00 54.13 55.09 3h1n s LEU 217 Cb -0.17 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.49 3h1n s LEU 217 CO 0.14 0.15 1.07 -2.16 0.23 0.00 0.00 176.35 175.78 3h1n s PRO 218 N -1.25 2.61 0.65 1.29 0.04 -1.26 -4.48 135.00 132.60 3h1n s PRO 218 Ca 0.41 1.02 -0.17 0.00 0.04 0.00 0.00 61.00 62.31 3h1n s PRO 218 Cb -0.25 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.34 3h1n s PRO 218 CO 0.30 -1.35 1.19 -0.06 0.04 0.00 0.00 177.00 177.12 3h1n s PHE 219 N -2.99 2.32 0.00 0.56 0.08 -1.26 -4.38 117.98 112.31 3h1n s PHE 219 Ca 0.59 1.55 0.00 0.00 0.12 0.00 0.00 56.93 59.20 3h1n s PHE 219 Cb -0.15 -3.41 0.00 0.00 -0.57 0.00 0.00 43.02 38.88 3h1n s PHE 219 CO 0.55 -2.24 0.00 0.41 -0.10 0.00 0.00 175.22 173.84 3h1n n GLY 220 N 0.26 0.76 2.65 4.36 0.00 -1.26 -5.00 105.19 106.95 3h1n n GLY 220 Ca 0.13 0.34 -0.33 0.00 0.00 0.00 0.00 46.02 46.16 3h1n n GLY 220 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h1n n ASP 221 N 0.00 6.04 0.00 1.61 8.00 -1.26 -4.49 116.55 126.45 3h1n n ASP 221 Ca 0.00 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 51.72 3h1n n ASP 221 Cb 0.00 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.36 3h1n n ASP 221 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h1n n GLY 222 N -0.53 1.02 0.09 0.44 0.00 -1.26 -5.03 105.19 99.92 3h1n n GLY 222 Ca 0.46 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 3h1n n GLY 222 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3h1n h ILE 223 N 0.00 1.26 -3.33 -0.61 2.04 -1.94 -3.42 117.51 111.51 3h1n h ILE 223 Ca 0.00 -1.32 -0.69 0.00 1.00 0.00 0.00 64.86 63.85 3h1n h ILE 223 Cb 0.00 2.09 -0.18 0.00 -0.74 0.00 0.00 36.82 37.99 3h1n h ILE 223 CO 0.00 0.32 -0.02 -0.36 0.00 0.00 0.00 178.15 178.09 3h1n s PHE 224 N -3.65 3.09 -0.08 1.37 0.08 -1.26 -3.90 117.98 113.62 3h1n s PHE 224 Ca -0.15 -0.51 0.04 0.00 0.12 0.00 0.00 56.93 56.42 3h1n s PHE 224 Cb 0.00 -3.39 0.00 0.00 -0.57 0.00 0.00 43.02 39.06 3h1n s PHE 224 CO 0.61 -0.95 -0.20 1.03 -0.10 0.00 0.00 175.22 175.61 3h1n s ARG 225 N 2.48 2.50 -0.62 0.44 0.52 -1.26 -4.22 118.95 118.79 3h1n s ARG 225 Ca 0.14 -0.72 -0.24 0.00 -0.52 0.00 0.00 55.73 54.39 3h1n s ARG 225 Cb -0.19 -1.96 0.05 0.00 0.52 0.00 0.00 34.95 33.37 3h1n s ARG 225 CO 0.12 0.16 1.00 -1.58 0.02 0.00 0.00 175.30 175.02 3h1n s HIS 226 N 0.36 2.67 -0.30 -0.53 5.65 -1.26 -4.60 115.29 117.29 3h1n s HIS 226 Ca -0.15 -0.26 -0.01 0.00 0.25 0.00 0.00 55.06 54.90 3h1n s HIS 226 Cb -0.16 -4.24 0.05 0.00 -1.18 0.00 0.00 32.58 27.05 3h1n s HIS 226 CO 0.06 -1.58 -0.02 0.71 -0.65 0.00 0.00 174.74 173.27 3h1n s TYR 227 N 4.23 3.28 0.39 3.88 2.02 -1.26 -5.01 117.35 124.88 3h1n s TYR 227 Ca 0.27 -1.99 0.14 0.00 -0.37 0.00 0.00 57.07 55.12 3h1n s TYR 227 Cb -0.14 -2.11 0.99 0.00 -0.40 0.00 0.00 41.96 40.30 3h1n s TYR 227 CO 0.15 -0.83 1.84 -1.35 -1.57 0.00 0.00 175.55 173.79 3h1n h PRO 228 N 7.95 0.50 0.00 -1.71 0.11 -1.94 -1.32 132.00 135.58 3h1n h PRO 228 Ca -0.20 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 3h1n h PRO 228 Cb 1.06 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 3h1n h PRO 228 CO 0.52 0.33 -0.06 1.05 -0.21 0.00 0.00 178.00 179.63 3h1n h GLU 229 N 0.51 0.00 0.00 1.05 9.09 -1.99 -1.99 114.58 121.25 3h1n h GLU 229 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.90 3h1n h GLU 229 Cb 1.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.17 3h1n h GLU 229 CO -0.22 0.06 -0.61 1.28 0.05 0.00 0.00 179.01 179.57 3h1n n LEU 230 N -3.32 0.58 -4.96 3.06 4.77 -0.51 -4.93 117.00 111.70 3h1n n LEU 230 Ca -0.01 -0.05 -0.24 0.00 -0.03 0.00 0.00 56.01 55.68 3h1n n LEU 230 Cb 0.23 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 3h1n n LEU 230 CO 0.27 0.12 0.54 -0.62 -1.33 0.00 0.00 177.39 176.37 3h1n s ASP 231 N -3.14 4.75 0.00 -1.43 2.15 -0.75 -4.77 116.67 113.48 3h1n s ASP 231 Ca 0.10 0.11 0.00 0.00 0.43 0.00 0.00 52.55 53.18 3h1n s ASP 231 Cb 0.17 -0.73 0.00 0.00 -0.30 0.00 0.00 42.92 42.06 3h1n s ASP 231 CO 0.73 -1.58 0.00 0.61 -0.17 0.00 0.00 175.17 174.76 3h1n n GLY 232 N -2.77 1.37 0.00 2.66 0.00 -1.26 -5.00 105.19 100.19 3h1n n GLY 232 Ca 0.10 -0.81 0.02 0.00 0.00 0.00 0.00 46.02 45.33 3h1n n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32