#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1n n ASN -5 N 0.00 -5.98 -4.83 4.31 3.02 -1.26 -5.00 115.26 105.52 3h1n n ASN -5 Ca 0.00 -0.06 -0.33 0.00 -0.03 0.00 0.00 54.58 54.16 3h1n n ASN -5 Cb 0.00 -4.95 -0.06 0.00 -0.61 0.00 0.00 39.78 34.16 3h1n n ASN -5 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3h1n s LEU -4 N -6.15 3.93 0.19 3.41 1.43 -1.26 -4.99 118.68 115.23 3h1n s LEU -4 Ca 0.05 1.54 -0.20 0.00 -1.03 0.00 0.00 54.13 54.49 3h1n s LEU -4 Cb -0.02 -4.39 0.13 0.00 0.03 0.00 0.00 46.19 41.94 3h1n s LEU -4 CO 0.06 -0.35 1.60 0.22 0.23 0.00 0.00 176.35 178.11 3h1n h TYR -3 N 1.84 -0.75 0.00 0.29 3.20 -2.06 -2.53 116.97 116.97 3h1n h TYR -3 Ca -0.48 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.45 3h1n h TYR -3 Cb 1.18 0.41 0.00 0.00 1.54 0.00 0.00 36.73 39.86 3h1n h TYR -3 CO 0.62 -0.35 0.14 0.27 -1.64 0.00 0.00 178.16 177.20 3h1n h PHE -2 N -0.15 0.00 0.00 -3.82 -0.00 -2.04 -1.97 116.94 108.96 3h1n h PHE -2 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.20 3h1n h PHE -2 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.47 3h1n h PHE -2 CO -0.56 0.00 0.00 1.04 -0.00 0.00 0.00 178.31 178.79 3h1n n GLN -1 N -2.19 0.97 -0.31 6.09 6.02 -0.95 -4.40 117.38 122.61 3h1n n GLN -1 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.97 3h1n n GLN -1 Cb 0.17 -1.24 -0.01 0.00 1.02 0.00 0.00 30.24 30.18 3h1n n GLN -1 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h1n n GLY 0 N 0.70 1.67 0.00 1.08 0.00 -0.75 -4.94 105.19 102.96 3h1n n GLY 0 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 1.82 -0.47 -1.88 4.61 0.00 -1.26 -5.21 120.51 118.12 3h1n n ALA 2 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.14 3h1n n ALA 2 Cb 0.30 -0.09 -0.05 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.51 3.39 -0.27 0.00 4.12 -0.67 -4.82 117.35 118.59 3h1n s TYR 3 Ca 0.00 1.48 -0.16 0.00 0.02 0.00 0.00 57.07 58.41 3h1n s TYR 3 Cb 0.00 -2.77 -0.03 0.00 -1.52 0.00 0.00 41.96 37.63 3h1n s TYR 3 CO 0.00 -0.22 0.41 -0.51 0.02 0.00 0.00 175.55 175.25 3h1n s ASP 4 N -2.67 6.29 -0.20 2.29 1.01 -0.89 0.37 116.67 122.87 3h1n s ASP 4 Ca 0.59 0.31 -0.10 0.00 0.71 0.00 0.00 52.55 54.06 3h1n s ASP 4 Cb -0.10 -2.23 -0.05 0.00 1.01 0.00 0.00 42.92 41.56 3h1n s ASP 4 CO 0.23 -0.23 0.13 -0.22 0.21 0.00 0.00 175.17 175.29 3h1n s LEU 5 N 2.14 4.14 -0.25 1.23 2.96 0.41 -0.54 118.68 128.76 3h1n s LEU 5 Ca 0.16 0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.27 3h1n s LEU 5 Cb -0.16 -2.08 0.04 0.00 0.50 0.00 0.00 46.19 44.50 3h1n s LEU 5 CO 0.10 0.16 -0.09 0.26 -1.32 0.00 0.00 176.35 175.45 3h1n s TRP 6 N 0.49 3.15 -0.06 5.38 0.52 -0.04 -1.38 118.94 127.00 3h1n s TRP 6 Ca 0.07 -1.98 -0.29 0.00 0.02 0.00 0.00 56.10 53.93 3h1n s TRP 6 Cb -0.12 -1.99 0.06 0.00 -1.15 0.00 0.00 33.47 30.28 3h1n s TRP 6 CO -0.01 -0.82 0.63 -0.47 0.02 0.00 0.00 176.95 176.30 3h1n s TYR 7 N 1.20 -0.61 0.23 -1.98 5.04 -1.26 -1.91 117.35 118.07 3h1n s TYR 7 Ca -0.04 1.07 -0.29 0.00 -2.44 0.00 0.00 57.07 55.36 3h1n s TYR 7 Cb -0.18 0.36 -0.15 0.00 0.35 0.00 0.00 41.96 42.34 3h1n s TYR 7 CO -0.05 -0.57 0.93 0.91 -1.34 0.00 0.00 175.55 175.43 3h1n n TRP 8 N 1.07 0.85 -1.67 4.97 8.01 -1.26 -4.52 117.44 124.89 3h1n n TRP 8 Ca -0.19 0.77 -0.30 0.00 -1.31 0.00 0.00 57.50 56.47 3h1n n TRP 8 Cb 0.57 -2.18 0.06 0.00 -2.01 0.00 0.00 31.31 27.75 3h1n n TRP 8 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 3h1n s ASP 9 N -0.52 5.11 0.00 -0.99 2.15 -1.26 -4.41 116.67 116.75 3h1n s ASP 9 Ca 0.64 1.35 0.00 0.00 0.43 0.00 0.00 52.55 54.97 3h1n s ASP 9 Cb -0.80 -2.16 0.00 0.00 -0.30 0.00 0.00 42.92 39.65 3h1n s ASP 9 CO 0.57 -1.58 0.00 0.61 -0.17 0.00 0.00 175.17 174.60 3h1n n GLY 10 N -2.36 2.75 3.04 2.66 0.00 -1.26 -5.00 105.19 105.02 3h1n n GLY 10 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 3h1n n GLY 10 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3h1n s ILE 11 N -2.40 0.01 0.06 -0.61 2.07 -1.26 -4.92 121.20 114.15 3h1n s ILE 11 Ca 0.00 -0.08 -0.31 0.00 -1.41 0.00 0.00 60.65 58.85 3h1n s ILE 11 Cb 0.00 -0.25 -0.18 0.00 0.13 0.00 0.00 42.46 42.16 3h1n s ILE 11 CO 0.00 -0.04 1.54 -0.65 -1.91 0.00 0.00 174.94 173.87 3h1n h PRO 12 N 5.71 -0.76 0.00 3.50 0.11 -1.81 -3.47 132.00 135.28 3h1n h PRO 12 Ca -0.26 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3h1n h PRO 12 Cb 1.20 0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3h1n h PRO 12 CO 0.41 -0.48 0.00 0.41 -0.21 0.00 0.00 178.00 178.13 3h1n n GLY 13 N -1.23 0.98 0.19 -0.55 0.00 -1.26 -1.97 105.19 101.35 3h1n n GLY 13 Ca -0.13 -0.72 0.04 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.23 1.61 3.08 -1.95 -3.15 114.38 113.73 3h1n h ARG 14 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h1n h ARG 14 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3h1n h ARG 14 CO 0.00 0.39 0.14 0.78 -1.07 0.00 0.00 179.97 180.22 3h1n h GLY 15 N 1.49 0.33 0.70 0.04 0.00 -1.91 -2.67 103.07 101.04 3h1n h GLY 15 Ca -0.00 -0.13 0.13 0.00 0.00 0.00 0.00 47.33 47.33 3h1n h GLY 15 CO 0.05 0.12 0.52 -2.09 0.00 0.00 0.00 176.54 175.15 3h1n h GLU 16 N 0.32 0.56 -0.76 4.80 4.57 -1.35 -1.01 114.58 121.71 3h1n h GLU 16 Ca 0.08 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.18 3h1n h GLU 16 Cb -0.02 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.41 3h1n h GLU 16 CO -0.02 0.37 0.26 0.74 -1.18 0.00 0.00 179.01 179.18 3h1n h PHE 17 N 0.58 1.19 -0.14 0.92 0.04 -1.69 0.02 116.94 117.86 3h1n h PHE 17 Ca 0.39 -0.11 -0.07 0.00 2.80 0.00 0.00 57.97 60.98 3h1n h PHE 17 Cb 0.69 -0.35 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 3h1n h PHE 17 CO -0.00 0.92 -0.20 0.28 -0.60 0.00 0.00 178.31 178.71 3h1n h VAL 18 N 1.12 1.36 -0.93 -0.55 2.07 -1.54 -3.20 116.25 114.58 3h1n h VAL 18 Ca 0.25 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 3h1n h VAL 18 Cb 0.27 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 3h1n h VAL 18 CO -0.01 0.42 0.56 -0.09 0.02 0.00 0.00 177.57 178.47 3h1n h ARG 19 N -0.00 1.26 -0.70 1.57 2.43 -1.04 -1.52 114.38 116.38 3h1n h ARG 19 Ca 0.02 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 59.11 3h1n h ARG 19 Cb 0.76 -0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 30.00 3h1n h ARG 19 CO 0.05 0.88 0.42 -0.07 -1.51 0.00 0.00 179.97 179.73 3h1n h LEU 20 N 1.27 0.67 -0.30 3.80 3.38 -1.05 -0.19 115.31 122.89 3h1n h LEU 20 Ca 0.33 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.23 3h1n h LEU 20 Cb -0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3h1n h LEU 20 CO -0.06 0.45 -0.15 0.00 0.09 0.00 0.00 178.44 178.77 3h1n h ALA 21 N 1.32 0.42 -0.63 1.53 0.00 -1.44 -1.45 119.26 119.02 3h1n h ALA 21 Ca 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3h1n h ALA 21 Cb 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3h1n h ALA 21 CO -0.13 0.32 0.41 -0.07 0.00 0.00 0.00 179.25 179.77 3h1n h LEU 22 N 0.38 0.73 0.06 0.00 3.38 -1.04 0.14 115.31 118.97 3h1n h LEU 22 Ca 0.07 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3h1n h LEU 22 Cb 0.67 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3h1n h LEU 22 CO 0.04 0.54 -0.03 -0.33 0.09 0.00 0.00 178.44 178.75 3h1n h GLU 23 N 0.85 -0.08 -0.43 1.13 4.39 -0.99 -0.93 114.58 118.51 3h1n h GLU 23 Ca 0.23 0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.85 3h1n h GLU 23 Cb -0.08 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 3h1n h GLU 23 CO -0.05 0.35 -0.09 0.00 -1.16 0.00 0.00 179.01 178.06 3h1n h ALA 24 N 0.34 1.04 0.00 3.43 0.00 -1.28 -2.22 119.26 120.57 3h1n h ALA 24 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3h1n h ALA 24 Cb 0.47 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3h1n h ALA 24 CO 0.01 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.26 3h1n n GLY 25 N -0.50 -1.28 3.71 0.00 0.00 0.50 -4.88 105.19 102.75 3h1n n GLY 25 Ca 0.02 0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.93 -5.98 -3.54 1.61 5.02 -0.61 -4.98 118.16 107.74 3h1n n LYS 26 Ca 0.04 0.69 -0.38 0.00 -2.02 0.00 0.00 58.31 56.63 3h1n n LYS 26 Cb 0.25 -5.52 -0.11 0.00 -0.02 0.00 0.00 35.03 29.63 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 -3.44 5.28 0.29 -0.18 1.01 -0.45 -5.05 121.20 118.65 3h1n s ILE 27 Ca 0.33 0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.87 3h1n s ILE 27 Cb -0.16 -3.59 -0.11 0.00 0.01 0.00 0.00 42.46 38.61 3h1n s ILE 27 CO 0.79 0.20 1.59 -2.84 0.00 0.00 0.00 174.94 174.68 3h1n s PRO 28 N 1.82 4.13 0.14 2.79 0.02 -1.26 -4.70 135.00 137.93 3h1n s PRO 28 Ca 0.08 2.57 -0.16 0.00 0.02 0.00 0.00 61.00 63.52 3h1n s PRO 28 Cb -0.16 -3.03 0.03 0.00 0.02 0.00 0.00 34.50 31.36 3h1n s PRO 28 CO 0.11 -0.63 0.41 1.52 -0.33 0.00 0.00 177.00 178.08 3h1n s TYR 29 N -0.00 -0.14 -0.14 6.54 -0.85 -1.26 -1.67 117.35 119.82 3h1n s TYR 29 Ca 0.63 -0.19 0.00 0.00 -0.52 0.00 0.00 57.07 56.99 3h1n s TYR 29 Cb -0.48 0.26 -0.01 0.00 0.38 0.00 0.00 41.96 42.11 3h1n s TYR 29 CO 0.48 -0.74 -0.14 1.03 -1.52 0.00 0.00 175.55 174.66 3h1n s ARG 30 N -3.83 3.29 -1.16 -3.49 1.81 0.16 -4.84 118.95 110.89 3h1n s ARG 30 Ca 0.05 -0.72 -0.16 0.00 -1.72 0.00 0.00 55.73 53.18 3h1n s ARG 30 Cb 0.01 -2.62 0.14 0.00 -0.45 0.00 0.00 34.95 32.04 3h1n s ARG 30 CO -0.10 0.11 1.42 0.34 -0.68 0.00 0.00 175.30 176.39 3h1n s ASP 31 N 0.60 6.93 0.19 0.23 -1.08 -1.26 -0.45 116.67 121.83 3h1n s ASP 31 Ca -0.08 -2.67 -0.12 0.00 -0.52 0.00 0.00 52.55 49.15 3h1n s ASP 31 Cb -0.16 -2.43 0.11 0.00 -1.46 0.00 0.00 42.92 38.98 3h1n s ASP 31 CO 0.03 -0.90 1.86 0.03 0.52 0.00 0.00 175.17 176.71 3h1n h ARG 32 N 7.65 0.82 0.00 4.34 2.47 -1.59 -2.05 114.38 126.01 3h1n h ARG 32 Ca 0.30 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 3h1n h ARG 32 Cb 0.91 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 3h1n h ARG 32 CO 1.26 0.54 0.00 0.00 0.56 0.00 0.00 179.97 182.33 3h1n n ALA 33 N -2.27 1.58 1.10 0.04 0.00 -1.26 -2.02 120.51 117.68 3h1n n ALA 33 Ca 0.05 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.58 3h1n n ALA 33 Cb 0.02 -1.23 0.16 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.59 1.00 -2.91 0.00 1.74 -0.77 -4.54 116.66 109.59 3h1n n ARG 34 Ca 0.03 -0.74 -0.35 0.00 -0.77 0.00 0.00 57.85 56.02 3h1n n ARG 34 Cb 0.16 -1.48 -0.07 0.00 -1.02 0.00 0.00 32.46 30.05 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 -2.51 4.30 0.19 5.56 2.02 -0.86 -4.98 118.70 122.42 3h1n s GLU 35 Ca 0.21 1.07 -0.21 0.00 0.02 0.00 0.00 54.97 56.06 3h1n s GLU 35 Cb 0.18 -2.53 0.13 0.00 0.10 0.00 0.00 34.13 32.02 3h1n s GLU 35 CO 0.56 0.17 1.58 -1.35 0.02 0.00 0.00 175.26 176.24 3h1n h PRO 36 N 2.61 -0.14 -0.99 0.39 0.11 -1.92 -2.00 132.00 130.06 3h1n h PRO 36 Ca -0.48 0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.38 3h1n h PRO 36 Cb 1.18 0.03 -0.15 0.00 0.11 0.00 0.00 31.00 32.17 3h1n h PRO 36 CO 0.64 -0.09 0.33 0.41 -0.21 0.00 0.00 178.00 179.07 3h1n n GLY 37 N -1.44 3.26 3.76 -0.55 0.00 -1.26 -4.98 105.19 103.99 3h1n n GLY 37 Ca 0.05 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 3h1n n GLY 37 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3h1n s GLU 38 N -1.76 3.66 -0.07 1.61 4.04 -0.76 -5.15 118.70 120.27 3h1n s GLU 38 Ca 0.30 1.96 -0.07 0.00 0.04 0.00 0.00 54.97 57.20 3h1n s GLU 38 Cb 0.25 -2.45 0.02 0.00 0.02 0.00 0.00 34.13 31.97 3h1n s GLU 38 CO 0.06 -0.69 0.20 0.34 -1.84 0.00 0.00 175.26 173.33 3h1n s ASP 39 N -1.14 -0.20 0.00 0.83 -1.08 -1.26 -5.07 116.67 108.76 3h1n s ASP 39 Ca 0.64 0.37 0.00 0.00 -0.52 0.00 0.00 52.55 53.04 3h1n s ASP 39 Cb -0.33 0.39 0.00 0.00 -1.46 0.00 0.00 42.92 41.52 3h1n s ASP 39 CO 0.41 -0.08 0.00 -0.11 0.52 0.00 0.00 175.17 175.90 3h1n n LEU 41 N 2.90 0.00 0.09 -1.34 -0.00 -1.26 -1.42 117.00 115.97 3h1n n LEU 41 Ca -0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.86 3h1n n LEU 41 Cb 0.58 0.00 0.22 0.00 -0.00 0.00 0.00 43.42 44.23 3h1n n LEU 41 CO 0.20 0.00 0.65 0.44 -0.00 0.00 0.00 177.39 178.68 3h1n h ASP 42 N 0.00 0.28 0.00 1.96 3.45 -2.04 -3.06 116.42 117.01 3h1n h ASP 42 Ca 0.00 -0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.35 3h1n h ASP 42 Cb 0.00 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.69 3h1n h ASP 42 CO 0.00 0.65 0.00 -0.67 -1.57 0.00 0.00 179.24 177.65 3h1n n ASP 43 N -4.03 0.66 0.00 6.45 2.03 -0.51 -3.56 116.55 117.58 3h1n n ASP 43 Ca -0.01 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.44 3h1n n ASP 43 Cb 0.47 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 3h1n n ASP 43 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 3h1n n ARG 45 N 0.42 0.00 -1.71 -0.67 1.85 -1.16 -4.89 116.66 110.50 3h1n n ARG 45 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.47 3h1n n ARG 45 Cb 0.14 0.00 0.06 0.00 -1.05 0.00 0.00 32.46 31.60 3h1n n ARG 45 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3h1n n ARG 46 N 0.00 1.23 -2.07 2.89 1.74 -1.23 -4.92 116.66 114.29 3h1n n ARG 46 Ca 0.00 0.47 -0.42 0.00 -0.77 0.00 0.00 57.85 57.13 3h1n n ARG 46 Cb 0.00 -2.48 -0.03 0.00 -1.02 0.00 0.00 32.46 28.93 3h1n n ARG 46 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3h1n s ARG 47 N -3.13 4.22 0.10 5.56 3.52 -1.26 -4.98 118.95 122.97 3h1n s ARG 47 Ca 0.79 2.13 0.05 0.00 -0.13 0.00 0.00 55.73 58.57 3h1n s ARG 47 Cb -0.40 -3.76 -0.03 0.00 -1.56 0.00 0.00 34.95 29.20 3h1n s ARG 47 CO 0.44 -0.73 -0.13 1.03 -0.81 0.00 0.00 175.30 175.10 3h1n s ARG 48 N 3.18 0.91 0.29 5.12 0.52 -1.26 -5.02 118.95 122.69 3h1n s ARG 48 Ca 0.70 -1.14 0.14 0.00 -0.52 0.00 0.00 55.73 54.91 3h1n s ARG 48 Cb -0.34 -0.75 0.34 0.00 0.52 0.00 0.00 34.95 34.72 3h1n s ARG 48 CO 0.28 0.14 1.58 -0.44 0.02 0.00 0.00 175.30 176.88 3h1n h ASP 49 N 3.72 0.00 -2.50 0.23 5.19 -1.99 -3.37 116.42 117.70 3h1n h ASP 49 Ca -0.39 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.42 3h1n h ASP 49 Cb 1.19 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 40.30 3h1n h ASP 49 CO 0.49 0.56 -0.79 0.35 -3.12 0.00 0.00 179.24 176.73 3h1n n THR 50 N -3.51 0.56 -2.16 0.35 -2.24 -1.26 -5.12 114.28 100.90 3h1n n THR 50 Ca -0.00 -4.38 -0.41 0.00 -2.27 0.00 0.00 64.05 56.99 3h1n n THR 50 Cb 0.65 -1.98 -0.03 0.00 -2.10 0.00 0.00 70.33 66.87 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 -1.19 4.36 0.33 -0.78 0.04 -1.26 -4.73 135.00 131.78 3h1n s PRO 51 Ca 0.32 2.13 -0.28 0.00 0.04 0.00 0.00 61.00 63.21 3h1n s PRO 51 Cb 0.06 -3.15 -0.10 0.00 0.04 0.00 0.00 34.50 31.35 3h1n s PRO 51 CO -0.14 -0.27 1.21 -2.14 0.04 0.00 0.00 177.00 175.71 3h1n s PRO 52 N -0.47 4.37 0.08 0.56 0.02 -1.26 -4.95 135.00 133.35 3h1n s PRO 52 Ca 0.56 2.01 -0.13 0.00 0.02 0.00 0.00 61.00 63.45 3h1n s PRO 52 Cb -0.38 -3.02 -0.21 0.00 0.02 0.00 0.00 34.50 30.91 3h1n s PRO 52 CO 0.42 -0.09 1.22 0.35 -0.33 0.00 0.00 177.00 178.56 3h1n h PHE 53 N 3.35 1.04 -3.02 6.54 3.57 -1.96 -3.48 116.94 122.97 3h1n h PHE 53 Ca -0.48 -0.54 0.01 0.00 3.53 0.00 0.00 57.97 60.48 3h1n h PHE 53 Cb 1.22 -0.13 -0.10 0.00 2.79 0.00 0.00 35.95 39.74 3h1n h PHE 53 CO 0.56 1.38 0.20 0.00 -2.23 0.00 0.00 178.31 178.23 3h1n s ALA 54 N -3.41 -1.46 0.79 2.41 0.00 -1.26 -5.17 121.76 113.67 3h1n s ALA 54 Ca -0.10 0.23 -0.11 0.00 0.00 0.00 0.00 51.96 51.98 3h1n s ALA 54 Cb 0.07 0.87 0.07 0.00 0.00 0.00 0.00 23.12 24.14 3h1n s ALA 54 CO 0.92 -0.85 1.09 -2.14 0.00 0.00 0.00 175.76 174.78 3h1n s PRO 55 N -3.80 2.07 0.52 0.00 0.02 -1.26 -4.53 135.00 128.01 3h1n s PRO 55 Ca 0.04 1.15 -0.19 0.00 0.02 0.00 0.00 61.00 62.02 3h1n s PRO 55 Cb -0.02 -1.88 -0.07 0.00 0.02 0.00 0.00 34.50 32.55 3h1n s PRO 55 CO -0.07 -1.77 1.05 -1.25 -0.33 0.00 0.00 177.00 174.64 3h1n s PRO 56 N -4.89 3.65 0.06 5.54 0.04 -1.26 -4.94 135.00 133.19 3h1n s PRO 56 Ca 0.62 1.34 0.02 0.00 0.04 0.00 0.00 61.00 63.01 3h1n s PRO 56 Cb -0.17 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 3h1n s PRO 56 CO 0.56 -0.56 -0.07 1.52 0.04 0.00 0.00 177.00 178.49 3h1n s TYR 57 N -2.09 0.75 -0.09 0.56 -0.85 -0.80 -3.62 117.35 111.20 3h1n s TYR 57 Ca 0.67 -0.68 0.03 0.00 -0.52 0.00 0.00 57.07 56.57 3h1n s TYR 57 Cb -0.17 -0.44 0.01 0.00 0.38 0.00 0.00 41.96 41.74 3h1n s TYR 57 CO 0.25 -0.12 -0.16 -1.17 -1.52 0.00 0.00 175.55 172.83 3h1n s LEU 58 N -2.18 1.78 -0.30 -3.49 2.96 0.54 -0.86 118.68 117.14 3h1n s LEU 58 Ca -0.01 -0.40 -0.11 0.00 -0.22 0.00 0.00 54.13 53.39 3h1n s LEU 58 Cb -0.04 -1.05 -0.03 0.00 0.50 0.00 0.00 46.19 45.57 3h1n s LEU 58 CO -0.02 0.06 0.18 -0.69 -1.32 0.00 0.00 176.35 174.56 3h1n s VAL 59 N 0.66 5.07 -0.15 1.68 1.01 0.30 -0.78 120.40 128.19 3h1n s VAL 59 Ca -0.14 -0.06 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 3h1n s VAL 59 Cb -0.16 -3.48 0.06 0.00 0.00 0.00 0.00 36.38 32.80 3h1n s VAL 59 CO 0.04 0.17 0.33 0.00 0.00 0.00 0.00 175.10 175.64 3h1n s ALA 60 N 1.71 -0.81 -1.38 5.51 0.00 -1.26 -2.09 121.76 123.43 3h1n s ALA 60 Ca 0.06 1.23 -0.05 0.00 0.00 0.00 0.00 51.96 53.21 3h1n s ALA 60 Cb -0.16 -0.96 0.03 0.00 0.00 0.00 0.00 23.12 22.02 3h1n s ALA 60 CO 0.09 -0.45 0.36 -0.25 0.00 0.00 0.00 175.76 175.51 3h1n n ASP 61 N 4.78 -4.80 -1.57 0.00 10.43 -1.26 -4.68 116.55 119.45 3h1n n ASP 61 Ca -0.16 -0.18 -0.00 0.00 2.57 0.00 0.00 54.79 57.02 3h1n n ASP 61 Cb 0.52 -3.96 0.00 0.00 1.84 0.00 0.00 41.12 39.52 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 -1.19 -0.03 3.19 0.44 0.00 -1.26 -5.23 105.19 101.11 3h1n n GLY 62 Ca -0.10 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.00 -0.96 -0.22 2.61 2.01 -1.26 -5.10 115.64 109.73 3h1n s THR 64 Ca 0.01 -0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 3h1n s THR 64 Cb -0.00 -0.98 -0.01 0.00 0.01 0.00 0.00 72.50 71.52 3h1n s THR 64 CO 0.03 -0.01 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.29 3h1n s ILE 65 N 2.83 3.52 0.52 1.82 1.01 0.04 -4.87 121.20 126.06 3h1n s ILE 65 Ca 0.17 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.40 3h1n s ILE 65 Cb -0.15 -2.60 -0.00 0.00 0.01 0.00 0.00 42.46 39.73 3h1n s ILE 65 CO -0.20 0.42 0.12 0.00 0.00 0.00 0.00 174.94 175.28 3h1n s ALA 66 N 1.37 4.18 0.06 9.38 0.00 -1.26 -0.34 121.76 135.15 3h1n s ALA 66 Ca 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.29 3h1n s ALA 66 Cb -0.14 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.78 3h1n s ALA 66 CO -0.02 -0.15 0.00 1.04 0.00 0.00 0.00 175.76 176.64 3h1n n GLN 67 N -1.40 -2.34 -0.21 0.00 1.13 -1.24 -4.21 117.38 109.11 3h1n n GLN 67 Ca -0.13 1.96 0.01 0.00 -1.94 0.00 0.00 57.00 56.89 3h1n n GLN 67 Cb 0.66 -2.00 0.09 0.00 0.11 0.00 0.00 30.24 29.10 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 1.84 0.41 -0.21 5.09 2.02 -1.94 -0.16 112.91 119.96 3h1n h THR 68 Ca 0.00 -0.02 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 3h1n h THR 68 Cb 0.00 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3h1n h THR 68 CO 0.00 0.01 -0.17 0.00 0.37 0.00 0.00 175.52 175.73 3h1n h ALA 69 N 1.61 1.32 -0.39 6.16 0.00 -1.93 -2.11 119.26 123.93 3h1n h ALA 69 Ca 0.32 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3h1n h ALA 69 Cb 0.51 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3h1n h ALA 69 CO -0.60 0.46 -0.20 -0.97 0.00 0.00 0.00 179.25 177.93 3h1n h ASN 70 N 0.33 0.85 -0.43 0.00 -1.24 -1.32 -0.62 115.58 113.15 3h1n h ASN 70 Ca 0.06 -0.41 -0.02 0.00 0.71 0.00 0.00 56.30 56.64 3h1n h ASN 70 Cb 0.49 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.29 3h1n h ASN 70 CO 0.03 1.07 0.20 0.40 -1.29 0.00 0.00 177.43 177.85 3h1n h ILE 71 N 0.62 1.18 -0.33 2.57 2.04 -0.89 -2.54 117.51 120.16 3h1n h ILE 71 Ca 0.08 -0.51 -0.11 0.00 1.00 0.00 0.00 64.86 65.32 3h1n h ILE 71 Cb 0.76 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3h1n h ILE 71 CO 0.06 0.20 -0.25 -0.07 0.00 0.00 0.00 178.15 178.08 3h1n h LEU 72 N 0.55 0.68 -0.60 1.44 3.38 -1.34 -2.13 115.31 117.29 3h1n h LEU 72 Ca 0.15 -0.25 0.10 0.00 0.09 0.00 0.00 57.88 57.97 3h1n h LEU 72 Cb 0.12 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 3h1n h LEU 72 CO -0.02 0.91 0.20 0.25 0.09 0.00 0.00 178.44 179.88 3h1n h LEU 73 N 0.58 0.17 0.08 1.67 5.85 -0.95 0.27 115.31 122.97 3h1n h LEU 73 Ca 0.08 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3h1n h LEU 73 Cb 0.74 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.85 3h1n h LEU 73 CO 0.06 0.10 -0.04 0.15 -0.34 0.00 0.00 178.44 178.37 3h1n h PHE 74 N 0.37 -0.10 -0.88 1.25 3.57 -1.17 -2.42 116.94 117.56 3h1n h PHE 74 Ca 0.31 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 3h1n h PHE 74 Cb 0.40 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 3h1n h PHE 74 CO -0.19 -0.05 0.50 -0.07 -2.23 0.00 0.00 178.31 176.27 3h1n h LEU 75 N -0.11 1.07 -0.38 0.59 3.38 -0.84 0.28 115.31 119.30 3h1n h LEU 75 Ca -0.01 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 57.95 3h1n h LEU 75 Cb 0.08 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 3h1n h LEU 75 CO 0.02 0.85 -0.01 1.23 0.09 0.00 0.00 178.44 180.61 3h1n h GLY 76 N 1.23 0.37 1.09 0.83 0.00 -0.33 0.74 103.07 106.99 3h1n h GLY 76 Ca 0.31 0.06 -0.26 0.00 0.00 0.00 0.00 47.33 47.44 3h1n h GLY 76 CO -0.05 -0.10 -1.05 -0.39 0.00 0.00 0.00 176.54 174.95 3h1n h VAL 77 N 0.09 1.33 -0.13 4.60 -1.51 -1.09 -2.22 116.25 117.32 3h1n h VAL 77 Ca 0.19 -2.36 -0.18 0.00 -1.23 0.00 0.00 66.70 63.12 3h1n h VAL 77 Cb 0.27 2.68 -0.00 0.00 -2.13 0.00 0.00 31.29 32.10 3h1n h VAL 77 CO -0.32 0.71 -0.65 -0.08 -1.23 0.00 0.00 177.57 175.99 3h1n h GLU 78 N 0.16 0.51 0.00 5.19 4.57 -0.91 -3.34 114.58 120.75 3h1n h GLU 78 Ca -0.15 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3h1n h GLU 78 Cb 1.74 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.40 3h1n h GLU 78 CO 0.20 0.99 -0.01 0.72 -1.18 0.00 0.00 179.01 179.74 3h1n n HIS 79 N -3.90 0.00 -2.25 0.92 8.25 0.25 -5.01 115.22 113.47 3h1n n HIS 79 Ca -0.04 -0.56 -0.11 0.00 -0.26 0.00 0.00 57.72 56.76 3h1n n HIS 79 Cb 0.66 -0.07 -0.00 0.00 1.12 0.00 0.00 29.99 31.71 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 -0.64 -0.05 1.04 -1.41 0.00 -0.88 -4.91 105.19 98.35 3h1n n GLY 80 Ca 0.03 -0.43 0.06 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.60 3.01 -3.76 0.99 4.77 -0.96 -4.85 117.00 114.60 3h1n n LEU 81 Ca -0.12 -1.52 -0.10 0.00 -0.03 0.00 0.00 56.01 54.25 3h1n n LEU 81 Cb 0.59 -0.43 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 3h1n n LEU 81 CO 0.16 0.55 0.03 0.00 -1.33 0.00 0.00 177.39 176.80 3h1n s ALA 82 N -1.67 -0.54 0.85 -1.18 0.00 -1.22 -0.92 121.76 117.08 3h1n s ALA 82 Ca 0.31 -0.37 -0.14 0.00 0.00 0.00 0.00 51.96 51.77 3h1n s ALA 82 Cb 0.20 0.60 0.02 0.00 0.00 0.00 0.00 23.12 23.94 3h1n s ALA 82 CO 0.16 -0.58 0.56 -2.30 0.00 0.00 0.00 175.76 173.60 3h1n n PRO 83 N -0.15 -0.03 0.17 0.00 -0.02 -1.26 -4.88 135.00 128.83 3h1n n PRO 83 Ca -0.15 0.04 0.06 0.00 -2.02 0.00 0.00 63.50 61.43 3h1n n PRO 83 Cb 0.63 -1.93 0.18 0.00 -0.02 0.00 0.00 33.50 32.36 3h1n n PRO 83 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3h1n h PRO 84 N -1.08 0.00 -6.51 0.52 0.11 -1.96 -3.40 132.00 119.68 3h1n h PRO 84 Ca -0.44 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.16 3h1n h PRO 84 Cb 1.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 3h1n h PRO 84 CO 0.39 0.38 -0.15 0.16 -0.21 0.00 0.00 178.00 178.56 3h1n s ASP 85 N -6.37 6.39 0.15 -2.05 -4.77 -1.26 -4.98 116.67 103.77 3h1n s ASP 85 Ca 0.03 0.63 -0.17 0.00 -3.30 0.00 0.00 52.55 49.74 3h1n s ASP 85 Cb 0.08 -2.11 0.03 0.00 -1.09 0.00 0.00 42.92 39.83 3h1n s ASP 85 CO 0.70 -0.24 1.74 0.03 0.70 0.00 0.00 175.17 178.11 3h1n h ARG 86 N 1.36 0.21 -0.59 2.11 3.08 -1.99 -1.81 114.38 116.76 3h1n h ARG 86 Ca -0.48 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 59.65 3h1n h ARG 86 Cb 1.20 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 31.13 3h1n h ARG 86 CO 0.65 0.14 0.19 0.00 -1.07 0.00 0.00 179.97 179.87 3h1n h ALA 87 N 1.21 0.74 -0.39 0.04 0.00 -1.98 0.32 119.26 119.19 3h1n h ALA 87 Ca 0.14 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3h1n h ALA 87 Cb 0.12 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3h1n h ALA 87 CO -0.16 -0.24 0.13 0.78 0.00 0.00 0.00 179.25 179.77 3h1n h GLY 88 N 0.35 0.65 1.24 0.00 0.00 -1.86 -1.28 103.07 102.16 3h1n h GLY 88 Ca 0.30 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 3h1n h GLY 88 CO -0.33 0.35 0.09 3.21 0.00 0.00 0.00 176.54 179.85 3h1n h ARG 89 N 0.49 0.94 -0.40 4.80 3.08 -0.76 -0.79 114.38 121.73 3h1n h ARG 89 Ca 0.13 -0.23 -0.15 0.00 0.07 0.00 0.00 59.98 59.79 3h1n h ARG 89 Cb 0.23 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3h1n h ARG 89 CO -0.01 0.87 -0.35 -0.07 -1.07 0.00 0.00 179.97 179.35 3h1n h LEU 90 N 0.88 0.98 0.12 3.04 3.38 -0.81 0.69 115.31 123.59 3h1n h LEU 90 Ca 0.18 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.73 3h1n h LEU 90 Cb 0.40 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3h1n h LEU 90 CO 0.01 1.23 -0.16 -0.25 0.09 0.00 0.00 178.44 179.36 3h1n h TRP 91 N 0.77 -0.41 -0.77 1.13 -0.00 -0.98 -0.70 115.95 114.98 3h1n h TRP 91 Ca 0.07 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.97 3h1n h TRP 91 Cb 0.94 0.17 -0.04 0.00 -0.00 0.00 0.00 29.16 30.23 3h1n h TRP 91 CO 0.06 -0.24 0.49 0.28 -0.00 0.00 0.00 178.44 179.03 3h1n h VAL 92 N -0.33 1.21 -0.10 2.65 2.07 -1.04 -1.05 116.25 119.67 3h1n h VAL 92 Ca 0.02 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.12 3h1n h VAL 92 Cb 0.33 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3h1n h VAL 92 CO -0.07 0.21 0.04 -1.13 0.02 0.00 0.00 177.57 176.65 3h1n h ASN 93 N 1.05 0.07 -0.38 0.57 -1.24 -0.71 -0.95 115.58 113.98 3h1n h ASN 93 Ca 0.28 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.24 3h1n h ASN 93 Cb -0.08 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 3h1n h ASN 93 CO -0.06 0.05 0.07 0.06 -1.29 0.00 0.00 177.43 176.26 3h1n h GLN 94 N 0.10 0.71 -0.46 6.67 3.07 -0.83 -0.43 115.11 123.95 3h1n h GLN 94 Ca 0.04 -0.15 0.02 0.00 0.09 0.00 0.00 58.65 58.65 3h1n h GLN 94 Cb 0.01 -0.10 -0.03 0.00 0.08 0.00 0.00 27.48 27.43 3h1n h GLN 94 CO -0.03 0.68 0.27 -0.07 0.09 0.00 0.00 178.83 179.77 3h1n h LEU 95 N 0.69 0.42 -0.65 0.06 3.38 -0.96 -0.25 115.31 118.00 3h1n h LEU 95 Ca 0.15 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3h1n h LEU 95 Cb 0.32 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3h1n h LEU 95 CO 0.01 0.30 0.27 -0.61 0.09 0.00 0.00 178.44 178.50 3h1n h GLN 96 N 0.53 0.97 -0.61 1.13 5.75 -0.68 0.08 115.11 122.28 3h1n h GLN 96 Ca 0.19 -0.17 -0.05 0.00 -0.15 0.00 0.00 58.65 58.46 3h1n h GLN 96 Cb 0.03 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.39 3h1n h GLN 96 CO -0.09 0.80 0.17 -0.07 -2.65 0.00 0.00 178.83 176.99 3h1n h LEU 97 N 0.91 0.88 -0.58 -2.39 3.38 -0.81 0.07 115.31 116.76 3h1n h LEU 97 Ca 0.22 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3h1n h LEU 97 Cb 0.19 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3h1n h LEU 97 CO -0.02 0.84 0.03 0.74 0.09 0.00 0.00 178.44 180.12 3h1n h THR 98 N 0.91 1.26 -0.76 0.22 2.02 -0.67 -0.66 112.91 115.24 3h1n h THR 98 Ca 0.20 -1.10 -0.02 0.00 0.77 0.00 0.00 66.41 66.27 3h1n h THR 98 Cb 0.30 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 3h1n h THR 98 CO -0.00 0.40 0.41 0.40 0.37 0.00 0.00 175.52 177.09 3h1n h ILE 99 N 0.90 1.23 -0.24 3.11 2.04 -0.72 -2.13 117.51 121.69 3h1n h ILE 99 Ca 0.17 -0.58 -0.12 0.00 1.00 0.00 0.00 64.86 65.33 3h1n h ILE 99 Cb 0.52 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3h1n h ILE 99 CO 0.02 0.26 -0.34 0.00 0.00 0.00 0.00 178.15 178.09 3h1n h ALA 100 N 1.38 0.95 0.01 1.87 0.00 -0.53 -0.69 119.26 122.26 3h1n h ALA 100 Ca 0.27 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3h1n h ALA 100 Cb 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3h1n h ALA 100 CO -0.04 0.61 -0.00 -0.44 0.00 0.00 0.00 179.25 179.38 3h1n h ASP 101 N 0.44 -0.01 -0.59 0.00 3.32 -0.75 0.33 116.42 119.16 3h1n h ASP 101 Ca 0.05 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.11 3h1n h ASP 101 Cb 0.81 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 3h1n h ASP 101 CO 0.07 -0.00 0.38 0.25 -1.72 0.00 0.00 179.24 178.22 3h1n h LEU 102 N -0.02 0.65 -0.61 1.55 5.85 -1.19 -1.53 115.31 120.01 3h1n h LEU 102 Ca -0.00 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3h1n h LEU 102 Cb 0.01 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3h1n h LEU 102 CO 0.00 0.47 0.40 0.74 -0.34 0.00 0.00 178.44 179.70 3h1n h THR 103 N 0.78 1.13 -0.65 1.05 2.02 -0.85 0.17 112.91 116.54 3h1n h THR 103 Ca 0.22 -0.27 -0.06 0.00 0.77 0.00 0.00 66.41 67.07 3h1n h THR 103 Cb -0.05 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 3h1n h THR 103 CO -0.07 0.15 0.15 0.00 0.37 0.00 0.00 175.52 176.13 3h1n h ALA 104 N 1.24 1.04 -0.67 6.16 0.00 -0.61 -2.34 119.26 124.08 3h1n h ALA 104 Ca 0.23 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3h1n h ALA 104 Cb -0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3h1n h ALA 104 CO -0.07 0.63 0.20 0.93 0.00 0.00 0.00 179.25 180.94 3h1n h GLU 105 N 0.99 1.03 -0.44 0.00 5.08 -0.68 0.60 114.58 121.16 3h1n h GLU 105 Ca 0.21 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3h1n h GLU 105 Cb 0.35 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3h1n h GLU 105 CO 0.00 0.89 0.22 0.00 -1.00 0.00 0.00 179.01 179.12 3h1n h ALA 106 N 1.22 1.57 -0.03 3.43 0.00 -0.62 -1.14 119.26 123.69 3h1n h ALA 106 Ca 0.22 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3h1n h ALA 106 Cb 0.30 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.92 3h1n h ALA 106 CO -0.01 0.35 -0.49 1.25 0.00 0.00 0.00 179.25 180.35 3h1n h HIS 107 N 0.61 0.56 0.00 0.00 -0.00 -1.06 -3.35 115.15 111.92 3h1n h HIS 107 Ca 0.16 -0.28 0.00 0.00 -0.00 0.00 0.00 60.37 60.24 3h1n h HIS 107 Cb 0.05 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.38 3h1n h HIS 107 CO 0.00 1.07 0.00 -0.44 -0.00 0.00 0.00 177.93 178.57 3h1n h ASP 108 N -0.11 0.00 -0.98 3.26 3.32 -0.58 -2.39 116.42 118.93 3h1n h ASP 108 Ca -0.05 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.09 3h1n h ASP 108 Cb 1.18 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.66 3h1n h ASP 108 CO 0.10 0.00 0.63 1.62 -1.72 0.00 0.00 179.24 179.87 3h1n h VAL 109 N 0.00 1.01 0.00 -1.35 3.04 -1.34 -1.43 116.25 116.18 3h1n h VAL 109 Ca 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 3h1n h VAL 109 Cb 0.47 -0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.60 3h1n h VAL 109 CO 0.00 0.19 -1.13 0.00 -1.01 0.00 0.00 177.57 175.62 3h1n n HIS 110 N -4.54 0.00 -3.05 3.17 -0.00 -1.03 -4.42 115.22 105.34 3h1n n HIS 110 Ca 0.17 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.63 3h1n n HIS 110 Cb 0.26 -0.10 -0.05 0.00 -0.00 0.00 0.00 29.99 30.11 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 -1.62 3.46 0.20 -1.40 -0.00 -0.93 -4.61 115.22 110.32 3h1n n HIS 111 Ca 0.02 -3.99 0.09 0.00 -0.00 0.00 0.00 57.72 53.83 3h1n n HIS 111 Cb 0.35 -0.49 0.28 0.00 -0.00 0.00 0.00 29.99 30.13 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 3.20 0.00 0.04 -0.41 0.13 -1.48 -3.32 132.00 130.16 3h1n h PRO 112 Ca 0.14 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.97 3h1n h PRO 112 Cb 0.59 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.69 3h1n h PRO 112 CO 0.78 0.24 -1.61 0.28 -0.23 0.00 0.00 178.00 177.46 3h1n n VAL 113 N -3.24 1.61 -3.63 1.56 0.31 -1.26 -5.00 118.33 108.67 3h1n n VAL 113 Ca 0.02 -0.26 -0.05 0.00 -0.01 0.00 0.00 64.34 64.04 3h1n n VAL 113 Cb 0.54 -1.92 -0.06 0.00 -0.91 0.00 0.00 33.84 31.48 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 -2.44 -2.05 0.47 3.52 0.00 -1.25 -5.02 121.76 115.00 3h1n s ALA 114 Ca -0.28 2.34 0.17 0.00 0.00 0.00 0.00 51.96 54.20 3h1n s ALA 114 Cb 0.07 -1.58 1.16 0.00 0.00 0.00 0.00 23.12 22.77 3h1n s ALA 114 CO 0.64 -0.47 2.00 0.00 0.00 0.00 0.00 175.76 177.93 3h1n h ALA 115 N 6.91 2.15 -0.01 0.00 0.00 -1.95 -2.73 119.26 123.63 3h1n h ALA 115 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3h1n h ALA 115 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3h1n h ALA 115 CO 0.16 -0.27 -0.13 0.41 0.00 0.00 0.00 179.25 179.42 3h1n n GLY 116 N -1.56 -0.71 3.93 0.00 0.00 -1.26 -4.84 105.19 100.75 3h1n n GLY 116 Ca 0.08 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.38 4.35 0.50 0.99 1.43 -1.03 -5.09 118.68 117.46 3h1n s LEU 117 Ca 0.30 0.24 -0.22 0.00 -1.03 0.00 0.00 54.13 53.43 3h1n s LEU 117 Cb 0.20 -2.95 -0.06 0.00 0.03 0.00 0.00 46.19 43.41 3h1n s LEU 117 CO 0.46 0.13 1.23 -0.31 0.23 0.00 0.00 176.35 178.09 3h1n s TYR 118 N -1.59 2.63 0.27 0.29 2.02 -1.26 -4.90 117.35 114.81 3h1n s TYR 118 Ca 0.35 1.48 -0.00 0.00 -0.37 0.00 0.00 57.07 58.53 3h1n s TYR 118 Cb -0.12 -3.52 0.54 0.00 -0.40 0.00 0.00 41.96 38.45 3h1n s TYR 118 CO 0.28 -2.03 1.79 -0.92 -1.57 0.00 0.00 175.55 173.10 3h1n h TYR 119 N 1.71 0.90 -0.74 2.71 3.20 -1.94 -2.57 116.97 120.25 3h1n h TYR 119 Ca -0.50 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.49 3h1n h TYR 119 Cb 1.27 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 39.23 3h1n h TYR 119 CO 0.50 0.27 0.48 0.93 -1.64 0.00 0.00 178.16 178.71 3h1n h GLU 120 N 0.75 0.64 -0.01 1.82 3.07 -1.91 0.18 114.58 119.11 3h1n h GLU 120 Ca 0.47 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 3h1n h GLU 120 Cb 0.60 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 3h1n h GLU 120 CO -0.32 0.42 -0.02 -0.25 -1.40 0.00 0.00 179.01 177.44 3h1n n ASP 121 N -4.49 0.70 -0.26 1.42 8.00 -0.97 -3.57 116.55 117.39 3h1n n ASP 121 Ca 0.12 -1.13 0.04 0.00 0.71 0.00 0.00 54.79 54.53 3h1n n ASP 121 Cb 0.32 -0.01 0.05 0.00 -0.02 0.00 0.00 41.12 41.46 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 -0.51 0.70 -0.38 -1.24 10.64 -0.03 -4.86 117.38 121.70 3h1n n GLN 122 Ca 0.20 -1.61 -0.02 0.00 -1.83 0.00 0.00 57.00 53.75 3h1n n GLN 122 Cb 0.24 -0.92 0.12 0.00 -0.86 0.00 0.00 30.24 28.81 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 0.00 1.30 -0.57 2.61 4.15 -1.40 -0.09 115.11 121.12 3h1n h GLN 123 Ca 0.00 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 3h1n h GLN 123 Cb 1.15 -0.29 -0.03 0.00 0.21 0.00 0.00 27.48 28.52 3h1n h GLN 123 CO 0.00 0.86 0.31 -0.44 -1.93 0.00 0.00 178.83 177.63 3h1n h ASP 124 N 1.34 0.72 -0.54 -0.69 3.32 -1.89 -0.65 116.42 118.04 3h1n h ASP 124 Ca 0.37 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.27 3h1n h ASP 124 Cb -0.13 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 3h1n h ASP 124 CO -0.09 0.61 0.11 0.58 -1.72 0.00 0.00 179.24 178.73 3h1n h VAL 125 N 0.77 1.25 -1.00 -1.35 2.07 -1.84 -2.99 116.25 113.17 3h1n h VAL 125 Ca 0.20 -0.92 0.10 0.00 0.82 0.00 0.00 66.70 66.90 3h1n h VAL 125 Cb 0.06 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 3h1n h VAL 125 CO -0.03 0.33 0.64 0.00 0.02 0.00 0.00 177.57 178.53 3h1n h ALA 126 N 1.00 1.49 -0.78 1.67 0.00 -0.34 -0.94 119.26 121.35 3h1n h ALA 126 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3h1n h ALA 126 Cb 0.38 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3h1n h ALA 126 CO 0.01 0.31 0.50 -0.07 0.00 0.00 0.00 179.25 180.00 3h1n h LEU 127 N 1.06 0.91 -0.10 0.00 3.38 -0.99 0.50 115.31 120.07 3h1n h LEU 127 Ca 0.46 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.37 3h1n h LEU 127 Cb 0.35 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3h1n h LEU 127 CO -0.22 0.68 -0.03 0.03 0.09 0.00 0.00 178.44 178.99 3h1n h ARG 128 N 1.06 0.20 -0.53 1.13 3.08 -1.30 -2.94 114.38 115.09 3h1n h ARG 128 Ca 0.28 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.20 3h1n h ARG 128 Cb -0.09 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3h1n h ARG 128 CO -0.06 0.53 0.10 -0.09 -1.07 0.00 0.00 179.97 179.38 3h1n h ARG 129 N -0.13 0.82 -0.59 0.04 2.43 -1.02 -2.68 114.38 113.25 3h1n h ARG 129 Ca 0.03 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3h1n h ARG 129 Cb 0.45 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 3h1n h ARG 129 CO 0.01 0.76 0.28 0.00 -1.51 0.00 0.00 179.97 179.51 3h1n h ALA 130 N 1.33 1.38 -0.44 2.80 0.00 -0.90 -0.71 119.26 122.71 3h1n h ALA 130 Ca 0.17 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3h1n h ALA 130 Cb 0.32 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3h1n h ALA 130 CO 0.00 0.49 0.24 0.00 0.00 0.00 0.00 179.25 179.98 3h1n h ALA 131 N 1.47 0.56 -0.40 0.00 0.00 -1.29 0.39 119.26 119.98 3h1n h ALA 131 Ca 0.21 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3h1n h ALA 131 Cb 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3h1n h ALA 131 CO -0.03 -0.10 0.06 0.22 0.00 0.00 0.00 179.25 179.40 3h1n h ASP 132 N 0.48 0.65 -0.71 0.00 3.58 -1.42 -1.27 116.42 117.73 3h1n h ASP 132 Ca 0.18 -0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.35 3h1n h ASP 132 Cb 0.06 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.91 3h1n h ASP 132 CO -0.11 0.75 0.35 0.15 -2.88 0.00 0.00 179.24 177.50 3h1n h PHE 133 N 0.52 1.01 -0.24 0.28 3.57 -0.81 0.79 116.94 122.06 3h1n h PHE 133 Ca 0.12 -0.05 -0.16 0.00 3.53 0.00 0.00 57.97 61.42 3h1n h PHE 133 Cb 0.38 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3h1n h PHE 133 CO 0.03 0.74 -0.46 0.00 -2.23 0.00 0.00 178.31 176.39 3h1n h ARG 134 N 0.99 0.74 0.17 1.11 3.08 -0.91 -2.86 114.38 116.69 3h1n h ARG 134 Ca 0.24 -0.47 -0.33 0.00 0.07 0.00 0.00 59.98 59.50 3h1n h ARG 134 Cb 0.11 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.22 3h1n h ARG 134 CO -0.03 1.10 -1.58 0.93 -1.07 0.00 0.00 179.97 179.32 3h1n h GLU 135 N 0.47 0.36 0.00 0.04 5.08 -0.92 -3.40 114.58 116.21 3h1n h GLU 135 Ca 0.01 -0.62 -0.10 0.00 -1.00 0.00 0.00 59.36 57.65 3h1n h GLU 135 Cb 1.06 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 3h1n h GLU 135 CO 0.10 1.26 -1.39 0.25 -1.00 0.00 0.00 179.01 178.24 3h1n n THR 136 N -3.56 0.39 0.99 1.13 -2.24 0.24 -4.73 114.28 106.50 3h1n n THR 136 Ca -0.19 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3h1n n THR 136 Cb 1.07 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 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 -2.64 1.02 0.00 -0.78 5.12 -1.01 -2.37 116.66 116.00 3h1n n ARG 137 Ca -0.12 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 3h1n n ARG 137 Cb 0.64 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.44 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 0.02 0.00 0.06 5.56 -0.02 -1.26 -1.60 135.00 137.75 3h1n n PRO 139 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 3h1n n PRO 139 Cb 0.26 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.68 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 -0.08 -0.29 -0.52 3.64 -1.83 0.12 116.57 117.62 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 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3h1n h LYS 140 CO 0.00 -0.05 0.00 1.19 -2.27 0.00 0.00 179.45 178.32 3h1n n PHE 141 N -5.14 0.00 0.00 1.91 3.72 -0.63 -2.07 117.46 115.25 3h1n n PHE 141 Ca -0.07 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3h1n n PHE 141 Cb 0.07 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 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 0.49 0.00 -0.01 -1.08 -0.06 0.03 -1.98 117.38 114.77 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 0.03 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.17 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 -0.15 -0.08 3.69 3.20 -1.65 -0.95 116.97 121.02 3h1n h TYR 144 Ca 0.00 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 3h1n h TYR 144 Cb 0.00 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3h1n h TYR 144 CO 0.00 -0.10 -0.30 0.74 -1.64 0.00 0.00 178.16 176.86 3h1n h PHE 145 N -0.06 0.17 -0.78 -3.82 0.04 -1.69 0.67 116.94 111.47 3h1n h PHE 145 Ca 0.07 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 3h1n h PHE 145 Cb 0.16 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.23 3h1n h PHE 145 CO -0.19 0.44 0.40 1.49 -0.60 0.00 0.00 178.31 179.85 3h1n h GLU 146 N 0.14 1.12 -0.12 1.51 4.57 -1.72 -1.77 114.58 118.31 3h1n h GLU 146 Ca 0.02 -0.15 -0.18 0.00 -1.18 0.00 0.00 59.36 57.87 3h1n h GLU 146 Cb 0.61 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 3h1n h GLU 146 CO 0.04 0.85 -0.67 1.96 -1.18 0.00 0.00 179.01 180.02 3h1n h GLN 147 N 1.10 0.47 0.00 1.92 1.08 -0.64 -3.02 115.11 116.02 3h1n h GLN 147 Ca 0.27 -0.35 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 3h1n h GLN 147 Cb 0.09 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3h1n h GLN 147 CO -0.04 0.98 -0.04 0.00 -0.95 0.00 0.00 178.83 178.78 3h1n h ALA 148 N 0.93 1.75 -0.23 3.87 0.00 -0.63 -2.25 119.26 122.70 3h1n h ALA 148 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3h1n h ALA 148 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3h1n h ALA 148 CO 0.12 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.69 3h1n n LEU 149 N -4.22 1.62 -4.31 0.00 4.77 -0.69 -4.69 117.00 109.48 3h1n n LEU 149 Ca -0.03 -0.74 -0.43 0.00 -0.03 0.00 0.00 56.01 54.78 3h1n n LEU 149 Cb 0.12 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3h1n n LEU 149 CO 0.32 0.37 1.95 -0.67 -1.33 0.00 0.00 177.39 178.04 3h1n n ASP 150 N 0.33 4.84 -3.53 -1.43 2.03 -0.85 -4.85 116.55 113.09 3h1n n ASP 150 Ca 0.14 -2.94 -0.14 0.00 0.52 0.00 0.00 54.79 52.36 3h1n n ASP 150 Cb 0.29 -1.66 -0.05 0.00 -0.72 0.00 0.00 41.12 38.99 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 2.89 0.91 0.47 -0.67 1.70 -1.26 -5.10 118.95 117.89 3h1n s ARG 151 Ca 0.48 0.08 -0.24 0.00 -0.47 0.00 0.00 55.73 55.58 3h1n s ARG 151 Cb 0.05 0.43 -0.07 0.00 -0.57 0.00 0.00 34.95 34.78 3h1n s ARG 151 CO 0.02 -0.31 1.36 -2.14 -1.08 0.00 0.00 175.30 173.15 3h1n s PRO 152 N -1.65 3.59 0.00 3.89 0.02 -1.26 -3.94 135.00 135.66 3h1n s PRO 152 Ca -0.05 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.23 3h1n s PRO 152 Cb -0.00 -2.54 0.00 0.00 0.02 0.00 0.00 34.50 31.97 3h1n s PRO 152 CO 0.03 -0.83 0.00 0.41 -0.33 0.00 0.00 177.00 176.27 3h1n n GLY 153 N 0.63 0.63 2.10 0.52 0.00 -1.26 -4.67 105.19 103.14 3h1n n GLY 153 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.50 0.61 3.55 -0.02 0.00 -1.25 -4.97 105.19 101.60 3h1n n GLY 154 Ca 0.00 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.09 1.81 -0.37 1.61 0.52 -1.26 -4.81 118.94 114.34 3h1n s TRP 155 Ca 0.00 -1.23 0.26 0.00 0.02 0.00 0.00 56.10 55.16 3h1n s TRP 155 Cb 0.00 -1.23 0.75 0.00 -1.15 0.00 0.00 33.47 31.84 3h1n s TRP 155 CO 0.00 -0.21 1.75 -0.07 0.02 0.00 0.00 176.95 178.44 3h1n h LEU 156 N 1.73 0.00 -9.65 2.99 3.38 -1.91 -3.44 115.31 108.40 3h1n h LEU 156 Ca -0.37 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.00 3h1n h LEU 156 Cb 1.28 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.90 3h1n h LEU 156 CO 0.60 0.00 -0.56 0.42 0.09 0.00 0.00 178.44 178.99 3h1n s THR 157 N -3.31 1.25 -0.88 0.22 -4.23 -1.26 -4.88 115.64 102.55 3h1n s THR 157 Ca 0.06 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.43 3h1n s THR 157 Cb 0.08 -2.54 0.21 0.00 1.34 0.00 0.00 72.50 71.59 3h1n s THR 157 CO 0.60 0.00 0.88 -1.81 -0.54 0.00 0.00 174.62 173.74 3h1n s ASP 158 N -3.70 6.81 0.00 3.99 1.01 -1.26 -4.90 116.67 118.63 3h1n s ASP 158 Ca 0.23 -2.69 0.00 0.00 0.71 0.00 0.00 52.55 50.80 3h1n s ASP 158 Cb 0.05 -2.24 0.00 0.00 1.01 0.00 0.00 42.92 41.74 3h1n s ASP 158 CO 0.12 -0.62 0.15 0.61 0.21 0.00 0.00 175.17 175.63 3h1n n GLY 160 N 4.08 0.90 3.78 0.21 0.00 -1.26 -5.16 105.19 107.75 3h1n n GLY 160 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 1.34 0.51 1.61 1.70 -1.26 -5.16 118.95 117.69 3h1n s ARG 161 Ca 0.00 -0.75 -0.22 0.00 -0.47 0.00 0.00 55.73 54.29 3h1n s ARG 161 Cb 0.00 0.45 -0.06 0.00 -0.57 0.00 0.00 34.95 34.77 3h1n s ARG 161 CO 0.00 -0.61 1.23 1.67 -1.08 0.00 0.00 175.30 176.51 3h1n s TRP 162 N -3.33 2.60 0.44 5.89 1.48 -1.26 -4.86 118.94 119.90 3h1n s TRP 162 Ca 0.13 1.48 0.07 0.00 -1.06 0.00 0.00 56.10 56.72 3h1n s TRP 162 Cb -0.02 -3.53 -0.02 0.00 -1.16 0.00 0.00 33.47 28.73 3h1n s TRP 162 CO 0.04 -2.08 0.30 -1.54 -4.06 0.00 0.00 176.95 169.61 3h1n s SER 163 N -1.27 4.73 0.57 -2.66 1.04 -1.26 -4.82 113.70 110.02 3h1n s SER 163 Ca 0.69 -0.97 0.33 0.00 0.48 0.00 0.00 55.95 56.48 3h1n s SER 163 Cb -0.33 -0.36 1.74 0.00 0.10 0.00 0.00 66.02 67.18 3h1n s SER 163 CO 0.39 -0.69 2.16 0.10 0.98 0.00 0.00 173.24 176.18 3h1n h TYR 164 N 1.14 0.00 -0.03 5.02 -0.00 -1.44 -2.10 116.97 119.56 3h1n h TYR 164 Ca -0.41 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.17 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 0.64 0.05 -0.64 0.00 -0.00 0.00 0.00 178.16 178.22 3h1n h ALA 165 N 1.95 0.87 -0.38 0.10 0.00 -1.88 -1.31 119.26 118.60 3h1n h ALA 165 Ca -0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 3h1n h ALA 165 Cb 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3h1n h ALA 165 CO 0.01 0.77 0.17 -0.44 0.00 0.00 0.00 179.25 179.76 3h1n h ASP 166 N 0.09 0.52 -0.52 0.00 3.32 -1.78 0.35 116.42 118.40 3h1n h ASP 166 Ca -0.01 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 56.90 3h1n h ASP 166 Cb 1.14 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 3h1n h ASP 166 CO 0.09 0.52 0.33 -0.07 -1.72 0.00 0.00 179.24 178.40 3h1n h LEU 167 N 0.48 0.57 -1.02 1.55 3.38 -1.38 -1.44 115.31 117.44 3h1n h LEU 167 Ca 0.13 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3h1n h LEU 167 Cb 0.16 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3h1n h LEU 167 CO -0.01 0.41 -0.13 0.28 0.09 0.00 0.00 178.44 179.08 3h1n h SER 168 N 0.68 0.54 -0.42 -0.43 0.02 -1.04 -1.53 113.55 111.36 3h1n h SER 168 Ca 0.19 -0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 3h1n h SER 168 Cb -0.05 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3h1n h SER 168 CO -0.06 0.70 -0.18 0.25 -1.14 0.00 0.00 176.83 176.40 3h1n h LEU 169 N 0.51 0.89 -0.61 5.07 5.85 -0.76 -1.00 115.31 125.26 3h1n h LEU 169 Ca 0.09 -0.40 0.09 0.00 0.84 0.00 0.00 57.88 58.51 3h1n h LEU 169 Cb 0.52 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 3h1n h LEU 169 CO 0.03 1.09 0.24 0.22 -0.34 0.00 0.00 178.44 179.69 3h1n h TYR 170 N 0.69 0.43 -0.36 1.25 3.20 -1.00 -2.51 116.97 118.68 3h1n h TYR 170 Ca 0.10 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.87 3h1n h TYR 170 Cb 0.74 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 3h1n h TYR 170 CO 0.06 0.12 -0.29 1.25 -1.64 0.00 0.00 178.16 177.66 3h1n h HIS 171 N 0.43 0.98 -0.37 -3.82 2.76 -0.86 -1.28 115.15 113.00 3h1n h HIS 171 Ca 0.31 -0.28 -0.05 0.00 -2.20 0.00 0.00 60.37 58.15 3h1n h HIS 171 Cb 0.36 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 3h1n h HIS 171 CO -0.16 1.06 0.00 -0.24 -1.30 0.00 0.00 177.93 177.30 3h1n h VAL 172 N 0.62 1.20 -0.38 5.26 3.04 -1.15 -0.02 116.25 124.83 3h1n h VAL 172 Ca 0.07 -0.81 -0.04 0.00 -1.01 0.00 0.00 66.70 64.90 3h1n h VAL 172 Cb 0.86 0.92 -0.02 0.00 -2.01 0.00 0.00 31.29 31.05 3h1n h VAL 172 CO 0.07 0.28 0.09 0.58 -1.01 0.00 0.00 177.57 177.59 3h1n h VAL 173 N 0.55 1.23 -0.70 1.51 2.07 -1.25 -0.59 116.25 119.05 3h1n h VAL 173 Ca 0.12 -0.77 0.10 0.00 0.82 0.00 0.00 66.70 66.96 3h1n h VAL 173 Cb 0.34 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 3h1n h VAL 173 CO 0.01 0.27 0.33 -0.33 0.02 0.00 0.00 177.57 177.87 3h1n h GLU 174 N 0.47 0.55 -0.46 1.57 4.39 -0.68 0.16 114.58 120.58 3h1n h GLU 174 Ca 0.12 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 3h1n h GLU 174 Cb 0.31 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 3h1n h GLU 174 CO 0.00 0.36 0.25 0.78 -1.16 0.00 0.00 179.01 179.24 3h1n h GLY 175 N 0.56 0.69 1.49 -3.84 0.00 -0.73 -2.26 103.07 98.98 3h1n h GLY 175 Ca 0.35 -0.31 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 3h1n h GLY 175 CO -0.29 0.30 -0.43 1.41 0.00 0.00 0.00 176.54 177.53 3h1n h LEU 176 N 0.60 0.59 -1.37 3.11 3.38 -0.70 -0.72 115.31 120.20 3h1n h LEU 176 Ca 0.16 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3h1n h LEU 176 Cb 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3h1n h LEU 176 CO -0.03 0.95 0.21 -0.07 0.09 0.00 0.00 178.44 179.59 3h1n h LEU 177 N 0.45 0.57 0.05 1.67 3.38 -0.86 0.13 115.31 120.70 3h1n h LEU 177 Ca 0.03 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3h1n h LEU 177 Cb 0.94 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3h1n h LEU 177 CO 0.08 0.50 -0.03 -0.74 0.09 0.00 0.00 178.44 178.34 3h1n h HIS 178 N 0.64 -0.07 0.04 1.13 2.76 -1.10 -3.25 115.15 115.29 3h1n h HIS 178 Ca 0.16 -0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 58.09 3h1n h HIS 178 Cb 0.08 0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.06 3h1n h HIS 178 CO 0.01 0.54 -1.02 0.00 -1.30 0.00 0.00 177.93 176.15 3h1n h ALA 179 N 0.03 0.31 -2.15 5.26 0.00 -1.05 -3.39 119.26 118.27 3h1n h ALA 179 Ca -0.01 -0.77 -0.55 0.00 0.00 0.00 0.00 54.91 53.59 3h1n h ALA 179 Cb 0.64 -0.02 -0.41 0.00 0.00 0.00 0.00 17.79 17.99 3h1n h ALA 179 CO 0.01 0.88 -0.88 1.19 0.00 0.00 0.00 179.25 180.45 3h1n n PHE 180 N -3.66 2.23 -0.23 0.00 3.72 0.45 -4.35 117.46 115.62 3h1n n PHE 180 Ca -0.07 -3.91 -0.03 0.00 -0.05 0.00 0.00 57.45 53.39 3h1n n PHE 180 Cb 0.89 -0.46 0.16 0.00 -0.94 0.00 0.00 39.48 39.13 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 3.17 1.05 -0.35 -1.08 0.13 -1.69 -2.94 132.00 130.28 3h1n h PRO 181 Ca 0.12 -0.15 -0.05 0.00 -0.87 0.00 0.00 66.00 65.05 3h1n h PRO 181 Cb 0.72 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 3h1n h PRO 181 CO 0.67 0.81 0.01 0.00 -0.23 0.00 0.00 178.00 179.26 3h1n h ARG 182 N 1.04 0.61 -1.17 0.86 3.08 -1.90 -0.54 114.38 116.36 3h1n h ARG 182 Ca 0.25 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3h1n h ARG 182 Cb 0.11 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3h1n h ARG 182 CO -0.03 0.72 0.00 -2.13 -1.07 0.00 0.00 179.97 177.46 3h1n n ARG 183 N -4.52 0.34 0.00 0.04 3.00 -1.07 -2.38 116.66 112.08 3h1n n ARG 183 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 3h1n n ARG 183 Cb 0.27 -1.27 0.00 0.00 0.00 0.00 0.00 32.46 31.46 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 0.64 0.00 -0.09 -0.14 0.63 -0.21 -1.29 116.66 116.21 3h1n n ARG 185 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 3h1n n ARG 185 Cb 0.14 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.00 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 1.31 0.01 5.15 2.02 -1.73 -3.38 112.91 116.28 3h1n h THR 186 Ca 0.00 -1.26 -0.27 0.00 0.77 0.00 0.00 66.41 65.65 3h1n h THR 186 Cb 0.00 1.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3h1n h THR 186 CO 0.00 0.39 -1.47 -0.07 0.37 0.00 0.00 175.52 174.74 3h1n h LEU 187 N 0.27 0.03 -1.54 2.58 3.38 -1.49 -3.39 115.31 115.14 3h1n h LEU 187 Ca 0.05 -0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.12 3h1n h LEU 187 Cb 0.67 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 3h1n h LEU 187 CO 0.04 1.04 0.50 -0.37 0.09 0.00 0.00 178.44 179.74 3h1n h VAL 188 N 0.00 0.81 -0.40 1.22 -1.51 -1.83 -1.04 116.25 113.51 3h1n h VAL 188 Ca -0.20 -0.16 0.10 0.00 -1.23 0.00 0.00 66.70 65.22 3h1n h VAL 188 Cb 1.94 0.32 -0.02 0.00 -2.13 0.00 0.00 31.29 31.39 3h1n h VAL 188 CO 0.10 0.08 0.28 1.12 -1.23 0.00 0.00 177.57 177.92 3h1n h HIS 189 N 0.46 0.08 0.00 5.19 2.07 -1.85 -1.23 115.15 119.87 3h1n h HIS 189 Ca 0.37 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.86 3h1n h HIS 189 Cb 0.80 -0.03 -0.00 0.00 2.57 0.00 0.00 27.41 30.75 3h1n h HIS 189 CO -0.00 0.04 -0.16 0.00 -3.07 0.00 0.00 177.93 174.74 3h1n h ARG 190 N 0.08 0.00 -2.15 5.12 3.08 -1.48 -3.38 114.38 115.65 3h1n h ARG 190 Ca 0.19 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.66 3h1n h ARG 190 Cb 0.65 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.28 3h1n h ARG 190 CO -0.02 0.16 -0.77 0.66 -1.07 0.00 0.00 179.97 178.94 3h1n n TYR 191 N -3.53 2.53 0.05 3.04 4.01 -0.46 -4.93 117.16 117.86 3h1n n TYR 191 Ca -0.01 -3.97 -0.02 0.00 -0.16 0.00 0.00 57.90 53.75 3h1n n TYR 191 Cb 0.31 -0.49 0.26 0.00 -0.31 0.00 0.00 39.34 39.10 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 3.85 0.39 -0.44 -0.72 0.13 -1.75 -2.78 132.00 130.68 3h1n h PRO 192 Ca 0.15 -0.13 -0.12 0.00 -0.87 0.00 0.00 66.00 65.03 3h1n h PRO 192 Cb 0.71 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 3h1n h PRO 192 CO 0.72 0.60 -0.20 0.00 -0.23 0.00 0.00 178.00 178.89 3h1n h ARG 193 N 0.35 0.91 -0.32 0.86 3.08 -1.91 -0.69 114.38 116.67 3h1n h ARG 193 Ca 0.06 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.71 3h1n h ARG 193 Cb 0.59 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3h1n h ARG 193 CO 0.04 1.05 0.00 -0.11 -1.07 0.00 0.00 179.97 179.88 3h1n n LEU 194 N -4.18 0.06 0.00 3.04 7.94 -1.05 -1.13 117.00 121.68 3h1n n LEU 194 Ca -0.01 -0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 3h1n n LEU 194 Cb 0.44 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.37 3h1n n LEU 194 CO 0.46 0.01 0.00 0.00 -1.11 0.00 0.00 177.39 176.75 3h1n n ALA 196 N 0.55 0.00 0.02 1.96 0.00 -0.27 -1.08 120.51 121.70 3h1n n ALA 196 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3h1n n ALA 196 Cb 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.40 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 0.04 -0.50 0.00 7.12 -1.38 -0.60 115.31 119.99 3h1n h LEU 197 Ca 0.00 -0.04 0.06 0.00 0.13 0.00 0.00 57.88 58.03 3h1n h LEU 197 Cb 0.00 -0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 40.07 3h1n h LEU 197 CO 0.00 0.06 0.20 -0.74 -0.13 0.00 0.00 178.44 177.83 3h1n h HIS 198 N 0.01 0.35 -0.64 1.25 2.76 -1.36 -1.58 115.15 115.94 3h1n h HIS 198 Ca 0.01 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.13 3h1n h HIS 198 Cb 0.03 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 3h1n h HIS 198 CO -0.06 0.14 0.09 0.00 -1.30 0.00 0.00 177.93 176.79 3h1n h ALA 199 N 1.31 0.94 -0.32 5.26 0.00 -1.80 -2.66 119.26 122.01 3h1n h ALA 199 Ca 0.23 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3h1n h ALA 199 Cb 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3h1n h ALA 199 CO -0.22 0.65 0.07 -0.09 0.00 0.00 0.00 179.25 179.67 3h1n h ARG 200 N 0.99 0.51 -0.57 0.00 2.43 -0.56 -2.75 114.38 114.43 3h1n h ARG 200 Ca 0.19 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3h1n h ARG 200 Cb 0.45 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 3h1n h ARG 200 CO 0.01 0.58 0.29 0.28 -1.51 0.00 0.00 179.97 179.63 3h1n h VAL 201 N 0.35 1.20 -0.72 0.20 2.07 -1.31 -2.53 116.25 115.52 3h1n h VAL 201 Ca 0.10 -0.54 0.14 0.00 0.82 0.00 0.00 66.70 67.22 3h1n h VAL 201 Cb 0.31 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 3h1n h VAL 201 CO 0.00 0.22 0.48 0.00 0.02 0.00 0.00 177.57 178.29 3h1n h ALA 202 N 1.12 2.12 -0.39 1.67 0.00 -1.34 -1.57 119.26 120.87 3h1n h ALA 202 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3h1n h ALA 202 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3h1n h ALA 202 CO -0.03 -0.30 0.00 0.39 0.00 0.00 0.00 179.25 179.31 3h1n n GLU 203 N -4.47 2.39 -1.68 0.00 -0.58 -1.05 -4.78 120.64 110.47 3h1n n GLU 203 Ca 0.13 -2.11 -0.45 0.00 -0.42 0.00 0.00 57.16 54.31 3h1n n GLU 203 Cb 0.51 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.84 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 1.30 3.35 -0.33 -4.62 4.77 -0.59 -4.88 117.00 116.00 3h1n n LEU 204 Ca 0.19 1.06 0.14 0.00 -0.03 0.00 0.00 56.01 57.37 3h1n n LEU 204 Cb 0.56 -1.46 0.35 0.00 -2.33 0.00 0.00 43.42 40.54 3h1n n LEU 204 CO 0.15 -0.15 1.21 -0.65 -1.33 0.00 0.00 177.39 176.62 3h1n h PRO 205 N 6.51 0.70 -0.30 3.23 0.11 -1.92 -1.52 132.00 138.82 3h1n h PRO 205 Ca -0.45 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.70 3h1n h PRO 205 Cb 1.24 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3h1n h PRO 205 CO 0.91 0.46 0.24 0.93 -0.21 0.00 0.00 178.00 180.33 3h1n h GLU 206 N 0.72 0.00 -0.00 1.05 3.07 -1.89 -2.97 114.58 114.55 3h1n h GLU 206 Ca 0.55 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.41 3h1n h GLU 206 Cb 0.91 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 3h1n h GLU 206 CO -0.33 0.00 -0.41 1.28 -1.40 0.00 0.00 179.01 178.16 3h1n n LEU 207 N -4.18 0.77 -0.11 1.33 4.77 -0.63 -4.30 117.00 114.64 3h1n n LEU 207 Ca 0.04 -0.59 -0.11 0.00 -0.03 0.00 0.00 56.01 55.32 3h1n n LEU 207 Cb 0.40 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 3h1n n LEU 207 CO 0.33 0.17 0.56 -0.09 -1.33 0.00 0.00 177.39 177.02 3h1n h ARG 208 N 0.42 -0.36 0.20 3.23 9.65 -1.23 -1.46 114.38 124.83 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 0.29 0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.95 3h1n h ARG 208 CO 0.00 -0.24 -0.11 0.78 2.80 0.00 0.00 179.97 183.20 3h1n h GLY 209 N -0.37 -0.29 0.87 2.80 0.00 -1.83 -2.85 103.07 101.40 3h1n h GLY 209 Ca 0.11 0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.57 3h1n h GLY 209 CO -0.55 -0.11 -0.00 -1.82 0.00 0.00 0.00 176.54 174.06 3h1n h TYR 210 N -0.28 -0.01 0.00 5.60 5.03 -1.81 -2.57 116.97 122.93 3h1n h TYR 210 Ca -0.02 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.27 3h1n h TYR 210 Cb 0.23 0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.52 3h1n h TYR 210 CO -0.07 -0.01 -0.12 -0.07 -1.32 0.00 0.00 178.16 176.56 3h1n h LEU 211 N 0.03 0.00 -1.33 2.82 3.38 -1.23 -0.82 115.31 118.15 3h1n h LEU 211 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h1n h LEU 211 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3h1n h LEU 211 CO -0.07 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.58 3h1n n ALA 212 N -2.41 2.51 -2.02 1.53 0.00 -1.08 -4.85 120.51 114.19 3h1n n ALA 212 Ca -0.02 -0.60 -0.19 0.00 0.00 0.00 0.00 53.44 52.63 3h1n n ALA 212 Cb 0.20 -1.05 0.02 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.63 5.54 0.06 0.00 1.04 -0.31 -4.99 113.70 113.40 3h1n s SER 213 Ca 0.34 -0.26 0.18 0.00 0.48 0.00 0.00 55.95 56.68 3h1n s SER 213 Cb 0.19 -0.76 0.74 0.00 0.10 0.00 0.00 66.02 66.29 3h1n s SER 213 CO 0.28 -0.88 1.56 0.47 0.98 0.00 0.00 173.24 175.65 3h1n n ASP 214 N -2.02 0.16 0.20 7.02 8.00 -1.26 -2.76 116.55 125.89 3h1n n ASP 214 Ca 0.08 0.54 0.10 0.00 0.71 0.00 0.00 54.79 56.21 3h1n n ASP 214 Cb 0.59 -0.57 0.25 0.00 -0.02 0.00 0.00 41.12 41.37 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 -5.74 -1.24 3.08 -1.94 -3.41 114.38 105.12 3h1n h ARG 215 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 3h1n h ARG 215 Cb 0.30 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.22 3h1n h ARG 215 CO 0.00 0.19 0.48 0.50 -1.07 0.00 0.00 179.97 180.07 3h1n s ARG 216 N -3.28 3.31 0.28 0.04 3.52 -1.11 -5.04 118.95 116.67 3h1n s ARG 216 Ca 0.04 -0.33 -0.21 0.00 -0.13 0.00 0.00 55.73 55.10 3h1n s ARG 216 Cb 0.07 -4.05 -0.09 0.00 -1.56 0.00 0.00 34.95 29.32 3h1n s ARG 216 CO 0.67 -1.42 0.81 -0.51 -0.81 0.00 0.00 175.30 174.04 3h1n s LEU 217 N 3.72 4.29 0.71 -0.88 1.43 -1.26 -4.91 118.68 121.77 3h1n s LEU 217 Ca 0.28 1.56 -0.11 0.00 -1.03 0.00 0.00 54.13 54.84 3h1n s LEU 217 Cb -0.13 -3.84 0.01 0.00 0.03 0.00 0.00 46.19 42.26 3h1n s LEU 217 CO 0.19 -0.05 1.06 -2.16 0.23 0.00 0.00 176.35 175.62 3h1n s PRO 218 N -2.17 2.86 0.74 1.29 0.04 -1.26 -4.60 135.00 131.89 3h1n s PRO 218 Ca 0.48 0.87 -0.14 0.00 0.04 0.00 0.00 61.00 62.24 3h1n s PRO 218 Cb -0.16 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.44 3h1n s PRO 218 CO 0.21 -1.13 1.19 -0.06 0.04 0.00 0.00 177.00 177.25 3h1n s PHE 219 N -3.09 2.08 0.00 0.56 0.08 -1.26 -4.43 117.98 111.92 3h1n s PHE 219 Ca 0.58 1.61 0.00 0.00 0.12 0.00 0.00 56.93 59.24 3h1n s PHE 219 Cb -0.14 -3.42 0.00 0.00 -0.57 0.00 0.00 43.02 38.89 3h1n s PHE 219 CO 0.55 -2.53 0.00 0.41 -0.10 0.00 0.00 175.22 173.55 3h1n n GLY 220 N 0.26 -0.02 2.53 4.36 0.00 -1.26 -5.01 105.19 106.04 3h1n n GLY 220 Ca 0.13 0.50 -0.32 0.00 0.00 0.00 0.00 46.02 46.32 3h1n n GLY 220 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h1n n ASP 221 N 0.00 6.29 0.00 1.61 3.85 -1.26 -4.47 116.55 122.57 3h1n n ASP 221 Ca 0.00 -3.78 0.00 0.00 -0.71 0.00 0.00 54.79 50.30 3h1n n ASP 221 Cb 0.00 -0.75 0.00 0.00 -1.35 0.00 0.00 41.12 39.02 3h1n n ASP 221 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3h1n n GLY 222 N -0.62 0.98 0.11 6.12 0.00 -1.26 -5.01 105.19 105.50 3h1n n GLY 222 Ca 0.50 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 1.08 -3.26 -0.61 2.04 -1.93 -3.42 117.51 111.42 3h1n h ILE 223 Ca 0.00 -1.00 -0.70 0.00 1.00 0.00 0.00 64.86 64.16 3h1n h ILE 223 Cb 0.00 1.69 -0.20 0.00 -0.74 0.00 0.00 36.82 37.58 3h1n h ILE 223 CO 0.00 0.23 -0.07 -0.36 0.00 0.00 0.00 178.15 177.95 3h1n s PHE 224 N -4.17 3.11 -0.09 1.37 0.08 -1.26 -3.84 117.98 113.18 3h1n s PHE 224 Ca -0.15 -0.68 0.04 0.00 0.12 0.00 0.00 56.93 56.27 3h1n s PHE 224 Cb 0.01 -3.43 -0.00 0.00 -0.57 0.00 0.00 43.02 39.03 3h1n s PHE 224 CO 0.59 -0.96 -0.24 1.03 -0.10 0.00 0.00 175.22 175.54 3h1n s ARG 225 N 2.31 2.95 -0.89 0.44 0.52 -1.26 -4.17 118.95 118.86 3h1n s ARG 225 Ca 0.11 -0.88 -0.23 0.00 -0.52 0.00 0.00 55.73 54.22 3h1n s ARG 225 Cb -0.21 -2.29 0.06 0.00 0.52 0.00 0.00 34.95 33.04 3h1n s ARG 225 CO 0.10 0.23 1.29 -1.58 0.02 0.00 0.00 175.30 175.35 3h1n s HIS 226 N 0.22 2.59 -0.42 -0.53 5.65 -1.26 -4.55 115.29 116.99 3h1n s HIS 226 Ca -0.15 -0.69 -0.11 0.00 0.25 0.00 0.00 55.06 54.36 3h1n s HIS 226 Cb -0.17 -4.56 0.07 0.00 -1.18 0.00 0.00 32.58 26.74 3h1n s HIS 226 CO 0.08 -1.86 0.27 0.71 -0.65 0.00 0.00 174.74 173.29 3h1n s TYR 227 N 4.66 3.30 0.60 3.88 2.02 -1.26 -4.98 117.35 125.57 3h1n s TYR 227 Ca 0.38 -1.31 0.31 0.00 -0.37 0.00 0.00 57.07 56.08 3h1n s TYR 227 Cb -0.05 -2.90 1.82 0.00 -0.40 0.00 0.00 41.96 40.43 3h1n s TYR 227 CO -0.01 -0.80 2.19 -1.00 -1.57 0.00 0.00 175.55 174.36 3h1n h PRO 228 N 8.48 0.00 0.00 -1.71 0.13 -1.93 0.12 132.00 137.09 3h1n h PRO 228 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3h1n h PRO 228 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3h1n h PRO 228 CO 0.76 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.58 3h1n h GLU 229 N 0.00 0.00 0.00 0.86 9.09 -1.98 -2.31 114.58 120.24 3h1n h GLU 229 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 3h1n h GLU 229 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 3h1n h GLU 229 CO -0.00 0.00 -1.01 1.28 0.05 0.00 0.00 179.01 179.33 3h1n n LEU 230 N -2.96 0.71 -4.92 3.06 4.77 0.02 -4.93 117.00 112.75 3h1n n LEU 230 Ca -0.00 -0.23 -0.26 0.00 -0.03 0.00 0.00 56.01 55.48 3h1n n LEU 230 Cb 0.24 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 41.33 3h1n n LEU 230 CO 0.24 0.15 0.65 -0.62 -1.33 0.00 0.00 177.39 176.48 3h1n s ASP 231 N -3.40 4.76 0.00 -1.43 2.15 -0.87 -4.78 116.67 113.10 3h1n s ASP 231 Ca 0.06 0.53 0.00 0.00 0.43 0.00 0.00 52.55 53.57 3h1n s ASP 231 Cb 0.16 -1.15 0.00 0.00 -0.30 0.00 0.00 42.92 41.63 3h1n s ASP 231 CO 0.82 -1.66 0.00 0.61 -0.17 0.00 0.00 175.17 174.78 3h1n n GLY 232 N -3.00 1.39 0.00 2.66 0.00 -1.26 -5.02 105.19 99.96 3h1n n GLY 232 Ca 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3h1n n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32