#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hg1 n GLU 3 N 0.00 0.00 -3.70 3.69 2.13 -1.26 -4.89 120.64 116.61 3hg1 n GLU 3 Ca 0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 3hg1 n GLU 3 Cb 0.00 0.00 -0.18 0.00 0.27 0.00 0.00 31.44 31.53 3hg1 n GLU 3 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3hg1 s VAL 4 N 0.00 0.08 -0.35 6.31 1.01 -1.25 -1.72 120.40 124.48 3hg1 s VAL 4 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.20 3hg1 s VAL 4 Cb 0.00 -0.37 0.11 0.00 0.00 0.00 0.00 36.38 36.12 3hg1 s VAL 4 CO 0.00 0.13 0.11 -0.70 0.00 0.00 0.00 175.10 174.64 3hg1 s GLU 5 N 2.09 1.06 0.66 2.72 2.12 -0.06 -4.52 118.70 122.77 3hg1 s GLU 5 Ca 0.04 -1.50 -0.05 0.00 0.36 0.00 0.00 54.97 53.82 3hg1 s GLU 5 Cb -0.13 -2.44 0.05 0.00 0.26 0.00 0.00 34.13 31.87 3hg1 s GLU 5 CO -0.05 -1.00 0.96 -0.65 -0.54 0.00 0.00 175.26 173.98 3hg1 s GLN 6 N 1.15 2.36 -0.01 4.30 -0.21 -1.26 -2.84 119.66 123.15 3hg1 s GLN 6 Ca 0.12 -0.31 0.21 0.00 0.02 0.00 0.00 55.36 55.40 3hg1 s GLN 6 Cb -0.19 -2.24 0.62 0.00 1.00 0.00 0.00 33.01 32.20 3hg1 s GLN 6 CO -0.16 -1.07 1.52 -1.71 -2.12 0.00 0.00 175.29 171.75 3hg1 n ASN 7 N -2.77 3.80 0.00 5.90 5.15 -1.26 -4.94 115.26 121.14 3hg1 n ASN 7 Ca 0.07 -2.03 0.00 0.00 -0.60 0.00 0.00 54.58 52.03 3hg1 n ASN 7 Cb 0.60 -0.47 0.00 0.00 -0.53 0.00 0.00 39.78 39.37 3hg1 n ASN 7 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 3hg1 n SER 8 N 1.52 0.00 0.00 1.20 2.88 -1.22 -4.96 113.62 113.04 3hg1 n SER 8 Ca 0.23 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 3hg1 n SER 8 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 3hg1 n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hg1 n GLY 9 N 0.00 -1.79 3.78 0.46 0.00 -1.26 0.86 105.19 107.23 3hg1 n GLY 9 Ca 0.00 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 3hg1 n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hg1 s PRO 10 N 0.00 4.58 0.29 1.61 0.04 -1.26 -4.85 135.00 135.41 3hg1 s PRO 10 Ca 0.00 1.28 -0.03 0.00 0.04 0.00 0.00 61.00 62.29 3hg1 s PRO 10 Cb 0.00 -2.94 -0.04 0.00 0.04 0.00 0.00 34.50 31.56 3hg1 s PRO 10 CO 0.00 0.37 0.52 -0.51 0.04 0.00 0.00 177.00 177.41 3hg1 s LEU 11 N -1.81 4.08 -0.12 -3.56 1.02 -0.65 -4.95 118.68 112.69 3hg1 s LEU 11 Ca 0.46 0.58 0.03 0.00 0.02 0.00 0.00 54.13 55.22 3hg1 s LEU 11 Cb -0.20 -3.40 0.01 0.00 0.02 0.00 0.00 46.19 42.62 3hg1 s LEU 11 CO 0.25 -0.19 -0.21 -0.44 0.02 0.00 0.00 176.35 175.78 3hg1 s SER 12 N -3.40 2.95 -0.03 2.29 0.01 -1.26 -1.40 113.70 112.87 3hg1 s SER 12 Ca 0.42 -0.56 0.01 0.00 1.31 0.00 0.00 55.95 57.13 3hg1 s SER 12 Cb -0.10 -1.36 0.02 0.00 0.21 0.00 0.00 66.02 64.79 3hg1 s SER 12 CO 0.31 0.09 -0.02 0.68 0.41 0.00 0.00 173.24 174.71 3hg1 s VAL 13 N 0.72 0.29 0.31 3.43 -7.23 -0.92 -5.01 120.40 112.00 3hg1 s VAL 13 Ca -0.10 -0.01 -0.28 0.00 -1.81 0.00 0.00 61.98 59.77 3hg1 s VAL 13 Cb -0.16 -0.34 -0.09 0.00 0.56 0.00 0.00 36.38 36.34 3hg1 s VAL 13 CO 0.01 0.15 1.10 -2.16 -0.31 0.00 0.00 175.10 173.89 3hg1 s PRO 14 N 0.78 4.51 -0.01 4.82 0.04 -1.26 -1.69 135.00 142.20 3hg1 s PRO 14 Ca -0.09 1.76 -0.38 0.00 0.04 0.00 0.00 61.00 62.33 3hg1 s PRO 14 Cb -0.12 -3.03 -0.17 0.00 0.04 0.00 0.00 34.50 31.22 3hg1 s PRO 14 CO -0.01 0.11 1.41 -1.91 0.04 0.00 0.00 177.00 176.64 3hg1 n GLU 15 N 0.88 1.04 0.00 4.56 2.13 -0.27 -0.89 120.64 128.09 3hg1 n GLU 15 Ca 0.00 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.20 3hg1 n GLU 15 Cb 0.46 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 30.15 3hg1 n GLU 15 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hg1 n GLY 16 N 2.82 3.08 3.39 8.31 0.00 0.90 -4.93 105.19 118.76 3hg1 n GLY 16 Ca 0.20 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 3hg1 n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hg1 s ALA 17 N -0.71 -0.35 -0.03 4.61 0.00 -0.07 -3.19 121.76 122.02 3hg1 s ALA 17 Ca 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 51.11 3hg1 s ALA 17 Cb 0.00 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 3hg1 s ALA 17 CO 0.00 -4.28 0.17 0.42 0.00 0.00 0.00 175.76 172.07 3hg1 s ILE 18 N -2.50 5.40 -0.22 0.00 1.01 -1.26 0.33 121.20 123.96 3hg1 s ILE 18 Ca 0.69 -0.10 -0.05 0.00 0.00 0.00 0.00 60.65 61.20 3hg1 s ILE 18 Cb -0.13 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 3hg1 s ILE 18 CO 0.58 0.39 -0.02 0.00 0.00 0.00 0.00 174.94 175.89 3hg1 s ALA 19 N -1.25 2.90 -0.15 9.38 0.00 -0.90 -4.86 121.76 126.88 3hg1 s ALA 19 Ca 0.24 -1.13 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 3hg1 s ALA 19 Cb -0.12 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 3hg1 s ALA 19 CO 0.15 -0.39 0.11 -1.54 0.00 0.00 0.00 175.76 174.10 3hg1 s SER 20 N 1.42 6.12 -0.01 0.00 1.04 -1.26 -0.41 113.70 120.59 3hg1 s SER 20 Ca 0.05 0.32 0.02 0.00 0.48 0.00 0.00 55.95 56.82 3hg1 s SER 20 Cb -0.14 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 63.98 3hg1 s SER 20 CO -0.01 0.31 -0.07 -0.76 0.98 0.00 0.00 173.24 173.69 3hg1 s LEU 21 N -0.44 1.85 0.14 2.42 1.43 0.11 -4.98 118.68 119.22 3hg1 s LEU 21 Ca 0.11 -0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.17 3hg1 s LEU 21 Cb -0.12 -0.39 -0.04 0.00 0.03 0.00 0.00 46.19 45.67 3hg1 s LEU 21 CO 0.02 0.06 -0.20 0.20 0.23 0.00 0.00 176.35 176.66 3hg1 s ASN 22 N 0.09 2.64 -0.11 2.29 -0.87 -1.26 -0.86 114.94 116.86 3hg1 s ASN 22 Ca -0.01 -0.79 -0.13 0.00 -1.57 0.00 0.00 52.86 50.36 3hg1 s ASN 22 Cb -0.06 -0.15 0.03 0.00 -0.02 0.00 0.00 41.25 41.05 3hg1 s ASN 22 CO -0.00 0.01 0.35 0.00 -2.57 0.00 0.00 177.10 174.89 3hg1 s THR 24 N -0.12 1.02 -0.09 0.00 -1.32 -1.13 -1.22 115.64 112.78 3hg1 s THR 24 Ca -0.03 -0.41 0.02 0.00 -1.21 0.00 0.00 61.69 60.06 3hg1 s THR 24 Cb -0.03 -0.95 -0.02 0.00 -1.51 0.00 0.00 72.50 69.99 3hg1 s THR 24 CO 0.01 0.33 -0.14 -0.72 -2.21 0.00 0.00 174.62 171.90 3hg1 s TYR 25 N 0.71 2.75 -0.06 9.09 1.13 -0.93 -0.88 117.35 129.16 3hg1 s TYR 25 Ca -0.14 -0.37 -0.04 0.00 -1.41 0.00 0.00 57.07 55.11 3hg1 s TYR 25 Cb -0.16 -1.73 -0.27 0.00 -1.10 0.00 0.00 41.96 38.71 3hg1 s TYR 25 CO 0.03 0.01 0.59 0.66 -2.51 0.00 0.00 175.55 174.33 3hg1 h SER 26 N 5.95 0.39 -3.52 -0.18 4.64 -1.65 -3.44 113.55 115.74 3hg1 h SER 26 Ca -0.37 -0.71 -0.56 0.00 -0.47 0.00 0.00 61.79 59.68 3hg1 h SER 26 Cb 1.18 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 63.08 3hg1 h SER 26 CO 0.53 1.62 0.99 -0.62 -0.87 0.00 0.00 176.83 178.48 3hg1 s ASP 27 N -6.93 6.51 0.00 4.97 -1.08 -1.26 -4.86 116.67 114.01 3hg1 s ASP 27 Ca -0.15 0.63 0.08 0.00 -0.52 0.00 0.00 52.55 52.59 3hg1 s ASP 27 Cb 0.07 -2.55 0.50 0.00 -1.46 0.00 0.00 42.92 39.48 3hg1 s ASP 27 CO 0.81 -1.33 0.93 0.54 0.52 0.00 0.00 175.17 176.65 3hg1 n ARG 28 N 7.94 0.46 0.16 4.34 1.74 -1.26 -1.71 116.66 128.32 3hg1 n ARG 28 Ca 0.14 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.30 3hg1 n ARG 28 Cb 0.49 -1.29 0.07 0.00 -1.02 0.00 0.00 32.46 30.71 3hg1 n ARG 28 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3hg1 h GLY 29 N 2.48 0.00 -5.42 -0.13 0.00 -1.97 -3.47 103.07 94.56 3hg1 h GLY 29 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.64 3hg1 h GLY 29 CO 0.00 0.00 0.24 1.44 0.00 0.00 0.00 176.54 178.22 3hg1 n SER 30 N -3.01 0.98 0.00 0.19 7.64 -0.69 -4.86 113.62 113.86 3hg1 n SER 30 Ca 0.01 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.03 3hg1 n SER 30 Cb 0.61 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 3hg1 n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hg1 n GLN 31 N 1.94 0.80 -3.62 1.43 6.02 -0.75 -5.02 117.38 118.18 3hg1 n GLN 31 Ca 0.18 -0.80 -0.10 0.00 -0.01 0.00 0.00 57.00 56.27 3hg1 n GLN 31 Cb 0.19 -0.84 -0.07 0.00 1.02 0.00 0.00 30.24 30.54 3hg1 n GLN 31 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3hg1 s SER 32 N -0.37 -0.47 0.11 1.08 1.04 -1.25 -4.70 113.70 109.14 3hg1 s SER 32 Ca 0.00 0.84 0.06 0.00 0.48 0.00 0.00 55.95 57.33 3hg1 s SER 32 Cb 0.00 0.83 -0.04 0.00 0.10 0.00 0.00 66.02 66.92 3hg1 s SER 32 CO 0.00 -0.20 -0.15 -0.36 0.98 0.00 0.00 173.24 173.51 3hg1 s PHE 33 N 0.00 1.42 0.13 5.02 0.08 0.22 -0.88 117.98 123.98 3hg1 s PHE 33 Ca 0.02 -0.51 -0.01 0.00 0.12 0.00 0.00 56.93 56.55 3hg1 s PHE 33 Cb -0.04 -0.76 -0.04 0.00 -0.57 0.00 0.00 43.02 41.61 3hg1 s PHE 33 CO -0.04 0.14 0.05 -0.06 -0.10 0.00 0.00 175.22 175.21 3hg1 s PHE 34 N -1.78 0.89 -0.08 0.36 0.08 -0.14 0.25 117.98 117.57 3hg1 s PHE 34 Ca 0.06 -1.21 -0.02 0.00 0.12 0.00 0.00 56.93 55.88 3hg1 s PHE 34 Cb -0.07 -0.50 0.03 0.00 -0.57 0.00 0.00 43.02 41.91 3hg1 s PHE 34 CO 0.03 -0.49 0.02 -1.58 -0.10 0.00 0.00 175.22 173.10 3hg1 s TRP 35 N -4.01 0.59 0.13 0.36 0.52 0.39 -1.67 118.94 115.24 3hg1 s TRP 35 Ca 0.24 -0.16 0.07 0.00 0.02 0.00 0.00 56.10 56.27 3hg1 s TRP 35 Cb 0.07 -0.77 -0.04 0.00 -1.15 0.00 0.00 33.47 31.59 3hg1 s TRP 35 CO 0.02 -0.33 -0.04 0.71 0.02 0.00 0.00 176.95 177.33 3hg1 s TYR 36 N 2.00 2.84 -0.11 -1.98 1.51 0.13 -0.61 117.35 121.13 3hg1 s TYR 36 Ca 0.04 -0.12 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 3hg1 s TYR 36 Cb -0.13 -1.43 -0.01 0.00 -0.11 0.00 0.00 41.96 40.28 3hg1 s TYR 36 CO -0.05 0.48 -0.17 0.50 -1.11 0.00 0.00 175.55 175.20 3hg1 s ARG 37 N -2.53 3.20 -0.10 -0.62 3.52 0.34 0.17 118.95 122.93 3hg1 s ARG 37 Ca 0.25 -0.75 0.02 0.00 -0.13 0.00 0.00 55.73 55.12 3hg1 s ARG 37 Cb -0.11 -2.50 0.01 0.00 -1.56 0.00 0.00 34.95 30.80 3hg1 s ARG 37 CO 0.17 0.24 -0.15 -1.14 -0.81 0.00 0.00 175.30 173.61 3hg1 s GLN 38 N 0.25 2.14 -0.16 5.12 0.74 0.16 -0.25 119.66 127.66 3hg1 s GLN 38 Ca -0.11 -0.53 -0.15 0.00 0.05 0.00 0.00 55.36 54.61 3hg1 s GLN 38 Cb -0.16 -1.82 -0.04 0.00 1.10 0.00 0.00 33.01 32.08 3hg1 s GLN 38 CO 0.06 -0.06 0.34 0.71 -0.55 0.00 0.00 175.29 175.80 3hg1 s TYR 39 N 0.97 3.45 -0.49 1.67 2.02 -1.26 -1.20 117.35 122.51 3hg1 s TYR 39 Ca -0.07 0.64 -0.45 0.00 -0.37 0.00 0.00 57.07 56.82 3hg1 s TYR 39 Cb -0.15 -2.42 -0.19 0.00 -0.40 0.00 0.00 41.96 38.80 3hg1 s TYR 39 CO -0.01 0.16 1.82 0.45 -1.57 0.00 0.00 175.55 176.40 3hg1 n SER 40 N 3.82 0.98 0.00 2.29 2.88 -1.26 -1.10 113.62 121.23 3hg1 n SER 40 Ca -0.10 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 3hg1 n SER 40 Cb 0.52 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 3hg1 n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hg1 n GLY 41 N 5.52 2.32 3.39 0.46 0.00 -1.26 -5.05 105.19 110.57 3hg1 n GLY 41 Ca 0.41 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 3hg1 n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hg1 n LYS 42 N 0.00 -1.02 -2.32 1.61 4.01 -0.25 -5.01 118.16 115.17 3hg1 n LYS 42 Ca 0.00 -0.27 -0.25 0.00 -0.51 0.00 0.00 58.31 57.28 3hg1 n LYS 42 Cb 0.00 -1.87 0.09 0.00 -0.51 0.00 0.00 35.03 32.73 3hg1 n LYS 42 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3hg1 s SER 43 N -2.04 4.56 0.29 4.39 1.04 -1.26 -4.36 113.70 116.32 3hg1 s SER 43 Ca 0.59 0.18 -0.29 0.00 0.48 0.00 0.00 55.95 56.90 3hg1 s SER 43 Cb -0.18 -0.73 -0.10 0.00 0.10 0.00 0.00 66.02 65.10 3hg1 s SER 43 CO 0.66 -1.73 1.40 -2.84 0.98 0.00 0.00 173.24 171.71 3hg1 s PRO 44 N -5.23 4.28 -0.10 4.02 0.02 -1.26 -4.54 135.00 132.19 3hg1 s PRO 44 Ca 0.63 2.30 0.02 0.00 0.02 0.00 0.00 61.00 63.96 3hg1 s PRO 44 Cb -0.09 -3.08 0.02 0.00 0.02 0.00 0.00 34.50 31.37 3hg1 s PRO 44 CO 0.45 -0.35 -0.14 -2.00 -0.33 0.00 0.00 177.00 174.63 3hg1 s GLU 45 N -1.03 2.01 0.36 5.54 2.12 0.66 -4.89 118.70 123.46 3hg1 s GLU 45 Ca 0.55 -0.49 -0.28 0.00 0.36 0.00 0.00 54.97 55.12 3hg1 s GLU 45 Cb -0.42 -1.73 -0.10 0.00 0.26 0.00 0.00 34.13 32.14 3hg1 s GLU 45 CO 0.49 -0.07 1.38 -1.17 -0.54 0.00 0.00 175.26 175.34 3hg1 s LEU 46 N 1.00 4.34 -0.06 2.70 2.96 -1.26 0.13 118.68 128.49 3hg1 s LEU 46 Ca -0.07 2.82 0.00 0.00 -0.22 0.00 0.00 54.13 56.67 3hg1 s LEU 46 Cb -0.15 -3.71 -0.04 0.00 0.50 0.00 0.00 46.19 42.80 3hg1 s LEU 46 CO -0.01 -0.73 -0.05 2.30 -1.32 0.00 0.00 176.35 176.53 3hg1 n ILE 47 N 0.53 0.33 -3.45 6.68 -5.35 0.22 -4.81 119.36 113.51 3hg1 n ILE 47 Ca 0.01 -0.12 -0.13 0.00 -0.27 0.00 0.00 62.75 62.24 3hg1 n ILE 47 Cb 0.41 -0.81 -0.03 0.00 -1.74 0.00 0.00 39.64 37.47 3hg1 n ILE 47 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 3hg1 s MET 48 N -2.12 1.17 0.03 6.28 -1.94 -1.07 -5.00 119.30 116.66 3hg1 s MET 48 Ca -0.08 -0.30 0.01 0.00 -1.71 0.00 0.00 55.69 53.61 3hg1 s MET 48 Cb 0.02 0.54 -0.02 0.00 2.01 0.00 0.00 34.83 37.38 3hg1 s MET 48 CO 0.13 -0.48 -0.05 -0.59 -0.01 0.00 0.00 175.02 174.01 3hg1 s PHE 49 N -3.14 0.49 -0.03 -0.03 -0.71 -1.26 -0.46 117.98 112.85 3hg1 s PHE 49 Ca -0.01 -0.56 -0.03 0.00 -1.04 0.00 0.00 56.93 55.29 3hg1 s PHE 49 Cb -0.01 -0.31 0.01 0.00 -1.21 0.00 0.00 43.02 41.50 3hg1 s PHE 49 CO -0.08 -0.15 0.09 0.42 -1.34 0.00 0.00 175.22 174.16 3hg1 s ILE 50 N -1.63 0.02 -0.00 -4.49 -1.09 0.14 -4.95 121.20 109.20 3hg1 s ILE 50 Ca -0.11 -0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.17 3hg1 s ILE 50 Cb -0.09 -0.18 0.00 0.00 -1.58 0.00 0.00 42.46 40.62 3hg1 s ILE 50 CO -0.01 -0.08 0.59 0.00 -1.23 0.00 0.00 174.94 174.22 3hg1 n TYR 51 N 2.75 0.00 -3.70 3.97 4.11 -1.26 0.72 117.16 123.75 3hg1 n TYR 51 Ca -0.14 -0.04 -0.14 0.00 -0.00 0.00 0.00 57.90 57.58 3hg1 n TYR 51 Cb 0.59 -0.01 -0.14 0.00 -0.00 0.00 0.00 39.34 39.78 3hg1 n TYR 51 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 3hg1 s SER 52 N -0.20 0.12 0.11 9.48 1.04 -1.26 -4.87 113.70 118.10 3hg1 s SER 52 Ca 0.00 0.46 -0.26 0.00 0.48 0.00 0.00 55.95 56.63 3hg1 s SER 52 Cb 0.00 0.41 -0.15 0.00 0.10 0.00 0.00 66.02 66.38 3hg1 s SER 52 CO 0.00 -0.20 0.58 0.59 0.98 0.00 0.00 173.24 175.20 3hg1 n ASN 53 N 4.71 -0.66 0.00 7.02 3.02 -1.26 -4.71 115.26 123.38 3hg1 n ASN 53 Ca -0.17 0.93 0.00 0.00 -0.03 0.00 0.00 54.58 55.31 3hg1 n ASN 53 Cb 0.51 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 3hg1 n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hg1 n GLY 54 N 1.49 0.88 3.20 7.41 0.00 -0.79 -4.95 105.19 112.42 3hg1 n GLY 54 Ca 0.15 -1.97 -0.28 0.00 0.00 0.00 0.00 46.02 43.92 3hg1 n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hg1 s ASP 55 N -4.00 2.55 -0.17 1.61 1.11 -1.26 -1.13 116.67 115.38 3hg1 s ASP 55 Ca 0.00 -0.42 0.01 0.00 0.18 0.00 0.00 52.55 52.32 3hg1 s ASP 55 Cb 0.00 -0.64 0.01 0.00 1.07 0.00 0.00 42.92 43.36 3hg1 s ASP 55 CO 0.00 0.20 -0.19 -0.75 1.18 0.00 0.00 175.17 175.61 3hg1 s LYS 56 N -0.12 3.05 -0.11 8.23 2.20 -0.58 -4.95 119.74 127.46 3hg1 s LYS 56 Ca -0.02 -0.82 -0.03 0.00 -0.36 0.00 0.00 55.97 54.75 3hg1 s LYS 56 Cb -0.12 -2.57 -0.03 0.00 -1.51 0.00 0.00 37.83 33.60 3hg1 s LYS 56 CO 0.02 -0.13 0.00 -2.00 -0.36 0.00 0.00 175.35 172.88 3hg1 s GLU 57 N 1.12 3.24 -0.28 4.03 2.12 -1.26 -0.78 118.70 126.90 3hg1 s GLU 57 Ca 0.01 -0.42 -0.01 0.00 0.36 0.00 0.00 54.97 54.91 3hg1 s GLU 57 Cb -0.14 -2.87 0.14 0.00 0.26 0.00 0.00 34.13 31.52 3hg1 s GLU 57 CO -0.08 0.56 0.31 0.34 -0.54 0.00 0.00 175.26 175.85 3hg1 s ASP 58 N -0.48 1.37 1.75 -1.70 -1.08 0.36 -5.01 116.67 111.88 3hg1 s ASP 58 Ca 0.08 -0.59 0.00 0.00 -0.52 0.00 0.00 52.55 51.52 3hg1 s ASP 58 Cb -0.12 0.62 0.00 0.00 -1.46 0.00 0.00 42.92 41.96 3hg1 s ASP 58 CO 0.02 -0.37 0.00 0.61 0.52 0.00 0.00 175.17 175.95 3hg1 n GLY 59 N 5.32 3.48 0.76 2.66 0.00 -1.26 -1.08 105.19 115.07 3hg1 n GLY 59 Ca -0.02 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 45.99 3hg1 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hg1 n ARG 60 N 13.50 1.97 -4.58 1.61 1.74 -1.26 -4.87 116.66 124.76 3hg1 n ARG 60 Ca 0.00 -1.50 -0.33 0.00 -0.77 0.00 0.00 57.85 55.25 3hg1 n ARG 60 Cb 0.00 -1.36 -0.11 0.00 -1.02 0.00 0.00 32.46 29.97 3hg1 n ARG 60 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3hg1 s PHE 61 N -1.50 2.92 -0.08 -1.55 0.08 -0.24 -0.80 117.98 116.80 3hg1 s PHE 61 Ca 0.30 -0.00 -0.03 0.00 0.12 0.00 0.00 56.93 57.32 3hg1 s PHE 61 Cb 0.16 -1.68 0.05 0.00 -0.57 0.00 0.00 43.02 40.98 3hg1 s PHE 61 CO 0.22 0.34 0.16 0.99 -0.10 0.00 0.00 175.22 176.83 3hg1 s THR 62 N -0.87 -0.22 0.18 0.64 2.01 -0.84 -0.49 115.64 116.06 3hg1 s THR 62 Ca 0.14 0.31 -0.02 0.00 0.31 0.00 0.00 61.69 62.44 3hg1 s THR 62 Cb -0.11 -0.29 -0.05 0.00 0.01 0.00 0.00 72.50 72.07 3hg1 s THR 62 CO 0.03 0.13 0.38 0.00 -0.69 0.00 0.00 174.62 174.47 3hg1 s ALA 63 N 2.04 3.83 -0.06 7.40 0.00 0.04 -1.21 121.76 133.80 3hg1 s ALA 63 Ca 0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.18 3hg1 s ALA 63 Cb -0.12 -2.02 0.04 0.00 0.00 0.00 0.00 23.12 21.01 3hg1 s ALA 63 CO -0.06 0.51 0.08 -0.65 0.00 0.00 0.00 175.76 175.64 3hg1 s GLN 64 N -3.12 -0.05 -0.12 0.00 -0.21 -0.46 -1.52 119.66 114.19 3hg1 s GLN 64 Ca 0.39 0.34 0.01 0.00 0.02 0.00 0.00 55.36 56.12 3hg1 s GLN 64 Cb -0.11 -0.66 -0.01 0.00 1.00 0.00 0.00 33.01 33.23 3hg1 s GLN 64 CO 0.28 -0.37 -0.14 -1.17 -2.12 0.00 0.00 175.29 171.76 3hg1 s LEU 65 N 2.18 2.66 -0.34 2.90 2.96 -0.28 0.17 118.68 128.93 3hg1 s LEU 65 Ca 0.04 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 3hg1 s LEU 65 Cb -0.13 -1.59 0.11 0.00 0.50 0.00 0.00 46.19 45.09 3hg1 s LEU 65 CO -0.04 0.18 0.15 0.21 -1.32 0.00 0.00 176.35 175.53 3hg1 s ASN 66 N 0.25 3.69 0.33 3.68 3.84 0.96 -1.89 114.94 125.80 3hg1 s ASN 66 Ca -0.10 -1.88 0.01 0.00 0.21 0.00 0.00 52.86 51.11 3hg1 s ASN 66 Cb -0.16 -0.73 0.55 0.00 -0.55 0.00 0.00 41.25 40.36 3hg1 s ASN 66 CO 0.06 -0.37 1.95 0.11 -2.79 0.00 0.00 177.10 176.06 3hg1 h LYS 67 N 7.68 0.85 -0.86 0.43 1.57 -1.96 0.12 116.57 124.40 3hg1 h LYS 67 Ca -0.09 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.64 3hg1 h LYS 67 Cb 0.99 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 33.08 3hg1 h LYS 67 CO 0.43 0.62 0.56 0.00 -0.57 0.00 0.00 179.45 180.50 3hg1 h ALA 68 N 1.52 1.48 -0.10 3.86 0.00 -1.94 -1.64 119.26 122.43 3hg1 h ALA 68 Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hg1 h ALA 68 Cb 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3hg1 h ALA 68 CO -0.04 0.44 0.00 0.43 0.00 0.00 0.00 179.25 180.08 3hg1 n SER 69 N -4.45 2.92 -3.90 0.00 7.64 -0.92 -4.93 113.62 109.98 3hg1 n SER 69 Ca 0.11 -1.95 -0.26 0.00 1.01 0.00 0.00 58.87 57.79 3hg1 n SER 69 Cb 0.12 -0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 63.26 3hg1 n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hg1 n GLN 70 N 1.25 -3.25 -4.34 1.43 6.02 0.24 -4.88 117.38 113.85 3hg1 n GLN 70 Ca 0.16 0.43 -0.24 0.00 -0.01 0.00 0.00 57.00 57.33 3hg1 n GLN 70 Cb 0.57 -4.54 -0.17 0.00 1.02 0.00 0.00 30.24 27.13 3hg1 n GLN 70 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3hg1 s TYR 71 N -3.89 1.27 -0.09 1.08 6.14 -0.15 -2.19 117.35 119.52 3hg1 s TYR 71 Ca 0.05 -0.48 -0.00 0.00 0.64 0.00 0.00 57.07 57.27 3hg1 s TYR 71 Cb -0.02 -0.99 0.02 0.00 0.42 0.00 0.00 41.96 41.39 3hg1 s TYR 71 CO 0.88 -0.30 -0.06 0.08 0.64 0.00 0.00 175.55 176.79 3hg1 s VAL 72 N 0.94 0.83 0.43 3.14 1.01 -0.36 -0.03 120.40 126.36 3hg1 s VAL 72 Ca -0.10 -0.19 0.06 0.00 0.00 0.00 0.00 61.98 61.76 3hg1 s VAL 72 Cb -0.15 -0.87 -0.07 0.00 0.00 0.00 0.00 36.38 35.29 3hg1 s VAL 72 CO 0.01 0.33 0.03 -0.44 0.00 0.00 0.00 175.10 175.03 3hg1 s SER 73 N 1.61 3.99 -0.09 3.32 0.01 0.13 -1.48 113.70 121.18 3hg1 s SER 73 Ca 0.02 -1.37 -0.04 0.00 1.31 0.00 0.00 55.95 55.86 3hg1 s SER 73 Cb -0.13 -0.27 0.04 0.00 0.21 0.00 0.00 66.02 65.87 3hg1 s SER 73 CO -0.06 -0.52 0.21 -0.22 0.41 0.00 0.00 173.24 173.06 3hg1 s LEU 74 N -3.76 0.45 0.01 2.44 2.96 -0.04 -1.35 118.68 119.39 3hg1 s LEU 74 Ca 0.32 0.45 0.07 0.00 -0.22 0.00 0.00 54.13 54.75 3hg1 s LEU 74 Cb 0.08 0.60 -0.03 0.00 0.50 0.00 0.00 46.19 47.34 3hg1 s LEU 74 CO 0.17 -0.17 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.05 3hg1 s LEU 75 N 1.34 2.36 -0.59 -0.68 2.01 -0.35 0.05 118.68 122.82 3hg1 s LEU 75 Ca -0.08 -0.43 0.04 0.00 0.01 0.00 0.00 54.13 53.66 3hg1 s LEU 75 Cb -0.11 -1.42 0.15 0.00 0.01 0.00 0.00 46.19 44.83 3hg1 s LEU 75 CO -0.08 0.29 0.38 -0.63 1.01 0.00 0.00 176.35 177.33 3hg1 s ILE 76 N -0.77 2.32 0.60 -0.59 1.01 0.46 -1.99 121.20 122.24 3hg1 s ILE 76 Ca 0.12 -3.60 -0.18 0.00 0.00 0.00 0.00 60.65 56.99 3hg1 s ILE 76 Cb -0.10 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 3hg1 s ILE 76 CO 0.02 -0.96 0.87 -1.14 0.00 0.00 0.00 174.94 173.73 3hg1 n ARG 77 N 2.59 0.79 -3.98 2.79 0.63 0.02 -2.13 116.66 117.38 3hg1 n ARG 77 Ca 0.15 0.31 -0.39 0.00 -0.92 0.00 0.00 57.85 57.01 3hg1 n ARG 77 Cb 0.36 -2.07 0.01 0.00 0.45 0.00 0.00 32.46 31.20 3hg1 n ARG 77 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3hg1 n ASP 78 N -0.56 -4.20 -4.77 6.15 2.03 -1.15 -4.81 116.55 109.24 3hg1 n ASP 78 Ca 0.13 -1.16 -0.41 0.00 0.52 0.00 0.00 54.79 53.87 3hg1 n ASP 78 Cb 0.48 -1.53 -0.01 0.00 -0.72 0.00 0.00 41.12 39.33 3hg1 n ASP 78 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3hg1 s SER 79 N -3.36 6.43 0.21 1.67 0.01 0.15 -4.62 113.70 114.19 3hg1 s SER 79 Ca 0.31 2.96 0.09 0.00 1.31 0.00 0.00 55.95 60.62 3hg1 s SER 79 Cb -0.18 -2.66 -0.04 0.00 0.21 0.00 0.00 66.02 63.36 3hg1 s SER 79 CO 0.92 -0.82 -0.05 -1.10 0.41 0.00 0.00 173.24 172.60 3hg1 s GLN 80 N -1.65 2.19 0.65 12.44 -1.52 -1.26 -0.07 119.66 130.44 3hg1 s GLN 80 Ca 0.55 -1.31 0.43 0.00 -1.95 0.00 0.00 55.36 53.07 3hg1 s GLN 80 Cb -0.46 -2.18 2.29 0.00 -0.22 0.00 0.00 33.01 32.45 3hg1 s GLN 80 CO 0.58 0.41 2.33 -1.35 -0.25 0.00 0.00 175.29 177.01 3hg1 h PRO 81 N 2.48 0.00 -0.00 2.91 0.11 -1.91 -0.03 132.00 135.55 3hg1 h PRO 81 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hg1 h PRO 81 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hg1 h PRO 81 CO 0.57 0.00 -0.03 -1.13 -0.21 0.00 0.00 178.00 177.21 3hg1 n SER 82 N -3.15 0.27 0.02 -2.05 3.41 -1.26 -2.73 113.62 108.13 3hg1 n SER 82 Ca -0.03 -0.75 0.13 0.00 -0.26 0.00 0.00 58.87 57.97 3hg1 n SER 82 Cb 0.09 -0.08 0.43 0.00 -0.26 0.00 0.00 64.21 64.39 3hg1 n SER 82 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hg1 n ASP 83 N -0.93 0.32 -4.68 4.04 8.00 -0.03 -4.84 116.55 118.42 3hg1 n ASP 83 Ca 0.19 0.22 -0.45 0.00 0.71 0.00 0.00 54.79 55.46 3hg1 n ASP 83 Cb 0.21 -0.21 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 3hg1 n ASP 83 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3hg1 n SER 84 N -1.64 3.49 0.00 -2.24 7.64 -1.10 -4.84 113.62 114.93 3hg1 n SER 84 Ca 0.06 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.99 3hg1 n SER 84 Cb 0.36 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 3hg1 n SER 84 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hg1 n ALA 85 N 4.26 0.00 -2.98 -0.43 0.00 -0.86 -4.93 120.51 115.57 3hg1 n ALA 85 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.27 3hg1 n ALA 85 Cb 0.32 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.65 3hg1 n ALA 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hg1 s THR 86 N -2.89 4.10 -0.27 0.00 2.01 -0.34 0.86 115.64 119.11 3hg1 s THR 86 Ca 0.00 -0.27 -0.07 0.00 0.31 0.00 0.00 61.69 61.66 3hg1 s THR 86 Cb 0.00 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 3hg1 s THR 86 CO 0.00 0.46 0.07 -0.31 -0.69 0.00 0.00 174.62 174.15 3hg1 s TYR 87 N 0.65 3.11 -0.24 4.92 1.51 -0.72 0.38 117.35 126.96 3hg1 s TYR 87 Ca -0.00 -0.69 -0.10 0.00 -1.01 0.00 0.00 57.07 55.26 3hg1 s TYR 87 Cb -0.14 -2.25 -0.05 0.00 -0.11 0.00 0.00 41.96 39.41 3hg1 s TYR 87 CO 0.02 -0.47 0.16 -0.51 -1.11 0.00 0.00 175.55 173.64 3hg1 s LEU 88 N 1.56 4.10 0.02 -1.29 1.02 0.13 -2.08 118.68 122.13 3hg1 s LEU 88 Ca 0.05 0.10 -0.19 0.00 0.02 0.00 0.00 54.13 54.11 3hg1 s LEU 88 Cb -0.16 -2.10 -0.06 0.00 0.02 0.00 0.00 46.19 43.89 3hg1 s LEU 88 CO 0.03 0.07 0.55 0.00 0.02 0.00 0.00 176.35 177.02 3hg1 s ALA 90 N -0.65 0.86 -0.16 0.00 0.00 -0.67 -1.75 121.76 119.40 3hg1 s ALA 90 Ca 0.29 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 3hg1 s ALA 90 Cb -0.18 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 22.90 3hg1 s ALA 90 CO 0.17 0.11 -0.05 0.08 0.00 0.00 0.00 175.76 176.07 3hg1 s VAL 91 N -1.02 1.04 -0.58 0.00 1.01 0.43 -0.97 120.40 120.32 3hg1 s VAL 91 Ca -0.03 -0.58 -0.27 0.00 0.00 0.00 0.00 61.98 61.09 3hg1 s VAL 91 Cb -0.08 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.07 3hg1 s VAL 91 CO 0.01 0.12 1.54 0.21 0.00 0.00 0.00 175.10 176.98 3hg1 s ASN 92 N 1.66 5.90 0.00 3.32 2.47 -0.06 -0.85 114.94 127.39 3hg1 s ASN 92 Ca 0.01 0.28 -0.12 0.00 0.42 0.00 0.00 52.86 53.45 3hg1 s ASN 92 Cb -0.15 -2.54 0.01 0.00 -1.45 0.00 0.00 41.25 37.12 3hg1 s ASN 92 CO -0.08 -1.89 0.25 0.54 -3.72 0.00 0.00 177.10 172.21 3hg1 s VAL 93 N 6.82 0.07 -1.37 -5.21 0.11 0.27 -1.80 120.40 119.29 3hg1 s VAL 93 Ca 0.56 -0.61 -0.06 0.00 -2.93 0.00 0.00 61.98 58.94 3hg1 s VAL 93 Cb -0.12 -0.65 0.03 0.00 -1.53 0.00 0.00 36.38 34.11 3hg1 s VAL 93 CO 0.23 -0.33 0.90 0.00 -3.33 0.00 0.00 175.10 172.56 3hg1 n ALA 94 N 1.15 -1.68 -3.47 1.54 0.00 -1.26 -1.71 120.51 115.08 3hg1 n ALA 94 Ca -0.21 0.04 -0.25 0.00 0.00 0.00 0.00 53.44 53.02 3hg1 n ALA 94 Cb 0.57 -3.32 0.04 0.00 0.00 0.00 0.00 19.45 16.74 3hg1 n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hg1 n GLY 95 N -1.62 -0.52 2.82 0.00 0.00 -1.26 -4.93 105.19 99.68 3hg1 n GLY 95 Ca -0.15 0.18 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 3hg1 n GLY 95 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3hg1 n LYS 96 N -4.43 0.53 -4.34 1.61 2.85 -0.69 -5.15 118.16 108.54 3hg1 n LYS 96 Ca -0.02 -1.17 -0.33 0.00 -1.05 0.00 0.00 58.31 55.73 3hg1 n LYS 96 Cb 0.57 1.56 -0.15 0.00 -0.65 0.00 0.00 35.03 36.35 3hg1 n LYS 96 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 3hg1 s SER 97 N -2.76 3.69 -0.15 -5.58 0.01 -1.26 0.95 113.70 108.61 3hg1 s SER 97 Ca 0.16 -0.48 -0.06 0.00 1.31 0.00 0.00 55.95 56.88 3hg1 s SER 97 Cb -0.02 -1.58 -0.04 0.00 0.21 0.00 0.00 66.02 64.59 3hg1 s SER 97 CO 0.05 0.05 0.06 -0.89 0.41 0.00 0.00 173.24 172.92 3hg1 s THR 98 N 1.02 4.82 0.21 1.44 2.01 -0.03 -4.86 115.64 120.24 3hg1 s THR 98 Ca -0.01 -0.04 0.07 0.00 0.31 0.00 0.00 61.69 62.02 3hg1 s THR 98 Cb -0.15 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 3hg1 s THR 98 CO -0.03 0.52 0.08 -0.36 -0.69 0.00 0.00 174.62 174.14 3hg1 s PHE 99 N -0.18 2.95 0.51 4.92 0.40 -1.26 -0.42 117.98 124.89 3hg1 s PHE 99 Ca 0.08 -0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.30 3hg1 s PHE 99 Cb -0.12 -1.38 0.02 0.00 0.51 0.00 0.00 43.02 42.05 3hg1 s PHE 99 CO 0.01 0.54 0.72 0.20 0.70 0.00 0.00 175.22 177.39 3hg1 s GLY 100 N -3.34 1.76 0.00 4.36 0.00 -0.71 -4.76 107.32 104.64 3hg1 s GLY 100 Ca 0.30 -1.29 0.01 0.00 0.00 0.00 0.00 44.72 43.74 3hg1 s GLY 100 CO 0.21 -1.05 0.78 1.22 0.00 0.00 0.00 173.10 174.26 3hg1 n ASP 101 N -2.21 0.00 -0.25 1.64 9.92 -1.26 -4.75 116.55 119.64 3hg1 n ASP 101 Ca 0.06 -1.47 0.03 0.00 -0.53 0.00 0.00 54.79 52.88 3hg1 n ASP 101 Cb 0.59 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.06 3hg1 n ASP 101 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hg1 n GLY 102 N 0.26 -2.40 2.69 0.44 0.00 -1.26 -4.97 105.19 99.95 3hg1 n GLY 102 Ca 0.01 -1.41 -0.23 0.00 0.00 0.00 0.00 46.02 44.39 3hg1 n GLY 102 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hg1 s THR 103 N -2.71 0.11 0.19 2.61 -1.32 -0.89 -3.43 115.64 110.21 3hg1 s THR 103 Ca 0.00 0.07 -0.30 0.00 -1.21 0.00 0.00 61.69 60.25 3hg1 s THR 103 Cb 0.00 -0.47 -0.09 0.00 -1.51 0.00 0.00 72.50 70.43 3hg1 s THR 103 CO 0.00 0.04 1.30 -0.89 -2.21 0.00 0.00 174.62 172.86 3hg1 s THR 104 N 2.07 3.27 0.02 5.08 2.01 0.25 -1.75 115.64 126.59 3hg1 s THR 104 Ca 0.03 1.04 0.08 0.00 0.31 0.00 0.00 61.69 63.16 3hg1 s THR 104 Cb -0.14 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 3hg1 s THR 104 CO -0.06 0.15 -0.25 -0.22 -0.69 0.00 0.00 174.62 173.56 3hg1 s LEU 105 N -0.07 2.23 -0.22 4.42 2.96 0.25 -1.64 118.68 126.60 3hg1 s LEU 105 Ca 0.56 -0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 53.91 3hg1 s LEU 105 Cb -0.36 -1.34 0.08 0.00 0.50 0.00 0.00 46.19 45.07 3hg1 s LEU 105 CO 0.38 0.28 0.14 -0.89 -1.32 0.00 0.00 176.35 174.94 3hg1 s THR 106 N -0.77 -0.15 -0.79 3.68 2.01 -0.50 -2.03 115.64 117.10 3hg1 s THR 106 Ca 0.12 -0.35 -0.19 0.00 0.31 0.00 0.00 61.69 61.57 3hg1 s THR 106 Cb -0.10 -0.74 0.12 0.00 0.01 0.00 0.00 72.50 71.78 3hg1 s THR 106 CO 0.02 -0.41 0.97 -0.69 -0.69 0.00 0.00 174.62 173.81 3hg1 s VAL 107 N 2.18 4.72 0.23 3.82 1.01 -1.26 -2.16 120.40 128.94 3hg1 s VAL 107 Ca 0.06 -1.23 -0.32 0.00 0.00 0.00 0.00 61.98 60.48 3hg1 s VAL 107 Cb -0.16 -4.67 -0.12 0.00 0.00 0.00 0.00 36.38 31.43 3hg1 s VAL 107 CO -0.20 -1.38 1.68 0.29 0.00 0.00 0.00 175.10 175.49 3hg1 n LYS 108 N 6.58 2.71 0.00 2.72 5.02 -0.68 -4.29 118.16 130.22 3hg1 n LYS 108 Ca 0.09 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.36 3hg1 n LYS 108 Cb 0.47 -2.80 0.00 0.00 -0.02 0.00 0.00 35.03 32.68 3hg1 n LYS 108 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3hg1 n PRO 109 N 3.46 0.31 -3.64 1.97 -0.02 -1.26 -1.11 135.00 134.71 3hg1 n PRO 109 Ca 0.14 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.36 3hg1 n PRO 109 Cb 0.35 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.66 3hg1 n PRO 109 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3hg1 s ASN 110 N -1.50 2.49 -0.65 2.55 3.04 -1.26 -4.42 114.94 115.19 3hg1 s ASN 110 Ca 0.00 -0.67 -0.25 0.00 0.04 0.00 0.00 52.86 51.98 3hg1 s ASN 110 Cb 0.00 -0.32 0.05 0.00 -1.54 0.00 0.00 41.25 39.44 3hg1 s ASN 110 CO 0.00 -0.34 1.07 -0.63 -3.04 0.00 0.00 177.10 174.16 3hg1 s ILE 111 N 2.08 4.13 0.21 -5.21 -1.09 -1.26 -4.89 121.20 115.17 3hg1 s ILE 111 Ca 0.02 0.16 -0.11 0.00 -2.23 0.00 0.00 60.65 58.48 3hg1 s ILE 111 Cb -0.16 -4.72 0.19 0.00 -1.58 0.00 0.00 42.46 36.19 3hg1 s ILE 111 CO -0.09 -1.48 1.66 0.06 -1.23 0.00 0.00 174.94 173.86 3hg1 h GLN 112 N 9.63 0.10 -1.94 2.79 3.07 -1.98 -3.36 115.11 123.43 3hg1 h GLN 112 Ca -0.27 -0.01 -0.39 0.00 0.09 0.00 0.00 58.65 58.07 3hg1 h GLN 112 Cb 1.06 -0.02 -0.31 0.00 0.08 0.00 0.00 27.48 28.29 3hg1 h GLN 112 CO 1.19 0.07 -0.72 0.54 0.09 0.00 0.00 178.83 179.99 3hg1 s ASN 113 N -5.24 0.97 0.00 0.06 6.03 -1.26 -5.14 114.94 110.36 3hg1 s ASN 113 Ca -0.14 -1.90 0.00 0.00 -1.03 0.00 0.00 52.86 49.80 3hg1 s ASN 113 Cb 0.19 0.50 0.00 0.00 -3.03 0.00 0.00 41.25 38.91 3hg1 s ASN 113 CO 0.74 -0.22 0.00 -2.65 -2.03 0.00 0.00 177.10 172.94 3hg1 n PRO 114 N 3.83 3.28 0.00 3.55 -0.02 -1.26 -5.02 135.00 139.36 3hg1 n PRO 114 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3hg1 n PRO 114 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.94 3hg1 n PRO 114 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3hg1 n ASP 115 N 0.00 0.00 -4.04 2.55 2.03 -0.54 -4.97 116.55 111.58 3hg1 n ASP 115 Ca 0.00 0.00 -0.56 0.00 0.52 0.00 0.00 54.79 54.75 3hg1 n ASP 115 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 3hg1 n ASP 115 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3hg1 n PRO 116 N 0.00 0.00 -3.68 -0.67 -0.02 -1.14 -4.73 135.00 124.76 3hg1 n PRO 116 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 3hg1 n PRO 116 Cb 0.00 -1.30 -0.09 0.00 -0.02 0.00 0.00 33.50 32.09 3hg1 n PRO 116 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hg1 s ALA 117 N 1.60 -1.34 -0.41 3.55 0.00 -1.13 -2.87 121.76 121.16 3hg1 s ALA 117 Ca 0.87 1.47 0.02 0.00 0.00 0.00 0.00 51.96 54.32 3hg1 s ALA 117 Cb -1.23 -0.81 0.11 0.00 0.00 0.00 0.00 23.12 21.20 3hg1 s ALA 117 CO 0.63 -0.26 0.16 0.08 0.00 0.00 0.00 175.76 176.36 3hg1 s VAL 118 N 0.16 2.67 0.54 0.00 1.01 -0.74 -1.62 120.40 122.43 3hg1 s VAL 118 Ca -0.01 -2.53 0.01 0.00 0.00 0.00 0.00 61.98 59.45 3hg1 s VAL 118 Cb -0.04 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.48 3hg1 s VAL 118 CO 0.01 -0.68 0.77 -0.31 0.00 0.00 0.00 175.10 174.89 3hg1 s TYR 119 N 0.64 2.90 -0.05 5.22 1.51 0.17 -4.58 117.35 123.17 3hg1 s TYR 119 Ca 0.12 0.03 0.04 0.00 -1.01 0.00 0.00 57.07 56.25 3hg1 s TYR 119 Cb -0.21 -2.72 -0.00 0.00 -0.11 0.00 0.00 41.96 38.91 3hg1 s TYR 119 CO -0.05 -0.84 -0.17 1.14 -1.11 0.00 0.00 175.55 174.52 3hg1 s GLN 120 N -4.75 1.82 -0.12 -0.62 -2.07 -1.26 0.12 119.66 112.76 3hg1 s GLN 120 Ca 0.56 -0.61 -0.06 0.00 -1.82 0.00 0.00 55.36 53.44 3hg1 s GLN 120 Cb -0.10 -1.56 -0.04 0.00 -1.09 0.00 0.00 33.01 30.21 3hg1 s GLN 120 CO 0.39 0.23 0.08 -0.51 -1.32 0.00 0.00 175.29 174.16 3hg1 s LEU 121 N 0.08 4.03 0.08 2.60 1.02 0.58 -4.94 118.68 122.14 3hg1 s LEU 121 Ca -0.05 0.29 -0.16 0.00 0.02 0.00 0.00 54.13 54.23 3hg1 s LEU 121 Cb -0.12 -1.97 -0.07 0.00 0.02 0.00 0.00 46.19 44.05 3hg1 s LEU 121 CO 0.02 0.35 0.52 -0.60 0.02 0.00 0.00 176.35 176.66 3hg1 s ARG 122 N -0.67 4.06 -0.69 1.70 6.06 -1.26 -2.16 118.95 125.99 3hg1 s ARG 122 Ca 0.12 0.57 -0.26 0.00 -2.50 0.00 0.00 55.73 53.67 3hg1 s ARG 122 Cb -0.12 -3.13 -0.05 0.00 0.06 0.00 0.00 34.95 31.71 3hg1 s ARG 122 CO 0.02 0.60 2.03 0.34 -2.50 0.00 0.00 175.30 175.79 3hg1 s ASP 123 N -1.31 4.96 -0.90 -2.12 -1.08 -1.22 -4.82 116.67 110.18 3hg1 s ASP 123 Ca 0.31 0.14 -0.23 0.00 -0.52 0.00 0.00 52.55 52.25 3hg1 s ASP 123 Cb -0.17 -2.54 -0.20 0.00 -1.46 0.00 0.00 42.92 38.55 3hg1 s ASP 123 CO 0.18 -2.71 1.98 -1.54 0.52 0.00 0.00 175.17 173.60 3hg1 n SER 124 N 14.18 0.81 0.00 -0.34 3.41 -1.26 -1.32 113.62 129.11 3hg1 n SER 124 Ca 0.31 -2.20 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 3hg1 n SER 124 Cb 0.50 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 3hg1 n SER 124 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3hg1 n LYS 125 N 7.60 0.00 0.00 4.33 4.81 -1.26 -5.13 118.16 128.51 3hg1 n LYS 125 Ca 0.36 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 3hg1 n LYS 125 Cb 0.46 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.51 3hg1 n LYS 125 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3hg1 n SER 126 N 0.00 0.00 -4.45 3.14 2.88 -0.43 -5.13 113.62 109.62 3hg1 n SER 126 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 3hg1 n SER 126 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 3hg1 n SER 126 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3hg1 s SER 127 N 0.00 4.38 0.00 -3.46 0.01 -1.26 -3.75 113.70 109.62 3hg1 s SER 127 Ca 0.00 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.06 3hg1 s SER 127 Cb 0.00 -1.55 0.00 0.00 0.21 0.00 0.00 66.02 64.68 3hg1 s SER 127 CO 0.00 0.21 0.00 -0.67 0.41 0.00 0.00 173.24 173.19 3hg1 n ASP 128 N 3.25 0.00 -4.55 2.44 -0.08 -1.26 -5.04 116.55 111.31 3hg1 n ASP 128 Ca -0.18 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.69 3hg1 n ASP 128 Cb 0.53 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.96 3hg1 n ASP 128 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 3hg1 s LYS 129 N 0.00 3.21 0.25 -0.67 -0.14 -1.26 -4.98 119.74 116.15 3hg1 s LYS 129 Ca 0.00 -0.22 0.02 0.00 -1.36 0.00 0.00 55.97 54.42 3hg1 s LYS 129 Cb 0.00 -4.17 -0.05 0.00 -1.68 0.00 0.00 37.83 31.93 3hg1 s LYS 129 CO 0.00 -2.12 0.05 -1.54 -0.76 0.00 0.00 175.35 170.98 3hg1 s SER 130 N 3.69 1.59 0.12 2.83 1.04 -1.26 -3.44 113.70 118.26 3hg1 s SER 130 Ca 0.35 -1.31 0.06 0.00 0.48 0.00 0.00 55.95 55.54 3hg1 s SER 130 Cb -0.08 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 3hg1 s SER 130 CO 0.16 -0.63 -0.15 -0.69 0.98 0.00 0.00 173.24 172.90 3hg1 s VAL 131 N -3.57 1.43 -0.19 5.02 1.01 -0.92 -4.54 120.40 118.65 3hg1 s VAL 131 Ca 0.33 -1.69 -0.09 0.00 0.00 0.00 0.00 61.98 60.53 3hg1 s VAL 131 Cb 0.07 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 3hg1 s VAL 131 CO 0.11 -0.34 0.10 0.00 0.00 0.00 0.00 175.10 174.97 3hg1 s LEU 133 N 0.28 2.58 -0.35 0.00 2.96 0.32 -1.03 118.68 123.43 3hg1 s LEU 133 Ca 0.06 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.39 3hg1 s LEU 133 Cb -0.12 -1.63 0.05 0.00 0.50 0.00 0.00 46.19 45.00 3hg1 s LEU 133 CO -0.01 -0.02 0.13 0.12 -1.32 0.00 0.00 176.35 175.25 3hg1 s PHE 134 N 1.39 3.30 0.25 5.38 5.36 -0.67 0.46 117.98 133.47 3hg1 s PHE 134 Ca 0.05 -1.60 0.05 0.00 -0.96 0.00 0.00 56.93 54.47 3hg1 s PHE 134 Cb -0.14 -2.47 -0.02 0.00 -0.34 0.00 0.00 43.02 40.05 3hg1 s PHE 134 CO -0.07 -0.78 0.17 -2.37 -1.46 0.00 0.00 175.22 170.70 3hg1 n THR 135 N 4.78 0.00 -2.04 0.12 5.66 -0.64 -0.69 114.28 121.47 3hg1 n THR 135 Ca -0.11 -1.71 -0.15 0.00 -3.05 0.00 0.00 64.05 59.03 3hg1 n THR 135 Cb 0.44 0.77 -0.03 0.00 -1.55 0.00 0.00 70.33 69.96 3hg1 n THR 135 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3hg1 n ASP 136 N -1.94 -4.34 -4.90 1.09 9.92 -0.52 -2.85 116.55 113.01 3hg1 n ASP 136 Ca 0.02 0.22 -0.28 0.00 -0.53 0.00 0.00 54.79 54.23 3hg1 n ASP 136 Cb 0.43 -3.77 -0.01 0.00 -0.64 0.00 0.00 41.12 37.13 3hg1 n ASP 136 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3hg1 s PHE 137 N -2.57 3.55 0.60 1.24 -0.71 -1.26 -1.47 117.98 117.36 3hg1 s PHE 137 Ca 0.00 0.85 -0.18 0.00 -1.04 0.00 0.00 56.93 56.56 3hg1 s PHE 137 Cb 0.00 -2.32 -0.05 0.00 -1.21 0.00 0.00 43.02 39.44 3hg1 s PHE 137 CO 0.00 -0.25 0.95 -3.47 -1.34 0.00 0.00 175.22 171.11 3hg1 n ASP 138 N -2.10 0.71 0.03 1.98 2.03 -1.26 -4.50 116.55 113.44 3hg1 n ASP 138 Ca 0.01 0.80 0.04 0.00 0.52 0.00 0.00 54.79 56.16 3hg1 n ASP 138 Cb 0.55 -1.38 0.18 0.00 -0.72 0.00 0.00 41.12 39.75 3hg1 n ASP 138 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 3hg1 n SER 139 N -0.72 0.12 -4.73 1.67 2.88 -1.26 -4.22 113.62 107.35 3hg1 n SER 139 Ca 0.14 0.55 -0.35 0.00 -1.33 0.00 0.00 58.87 57.87 3hg1 n SER 139 Cb 0.47 -0.56 -0.08 0.00 -0.75 0.00 0.00 64.21 63.29 3hg1 n SER 139 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hg1 s GLN 140 N -3.09 4.20 0.00 -1.46 -2.07 -1.26 -4.90 119.66 111.07 3hg1 s GLN 140 Ca 0.02 -0.12 0.00 0.00 -1.82 0.00 0.00 55.36 53.44 3hg1 s GLN 140 Cb 0.04 -3.42 0.00 0.00 -1.09 0.00 0.00 33.01 28.54 3hg1 s GLN 140 CO 0.11 0.29 0.00 2.41 -1.32 0.00 0.00 175.29 176.78 3hg1 n THR 141 N 3.52 0.00 -3.84 3.63 -1.04 -1.26 -5.08 114.28 110.21 3hg1 n THR 141 Ca -0.15 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.49 3hg1 n THR 141 Cb 0.52 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.97 3hg1 n THR 141 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3hg1 s ASN 142 N 0.00 6.43 -0.48 8.00 0.01 -1.26 -5.03 114.94 122.61 3hg1 s ASN 142 Ca 0.00 0.51 -0.25 0.00 -0.71 0.00 0.00 52.86 52.41 3hg1 s ASN 142 Cb 0.00 -2.08 0.03 0.00 0.41 0.00 0.00 41.25 39.61 3hg1 s ASN 142 CO 0.00 0.40 0.93 -0.69 -1.51 0.00 0.00 177.10 176.23 3hg1 s VAL 143 N -1.05 4.44 0.57 1.60 1.01 -1.26 -5.02 120.40 120.70 3hg1 s VAL 143 Ca 0.16 0.64 -0.18 0.00 0.00 0.00 0.00 61.98 62.61 3hg1 s VAL 143 Cb -0.12 -4.46 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 3hg1 s VAL 143 CO 0.05 -0.91 1.09 -0.94 0.00 0.00 0.00 175.10 174.39 3hg1 s SER 144 N 2.41 5.72 1.21 3.32 1.04 -1.26 -4.84 113.70 121.30 3hg1 s SER 144 Ca 0.36 1.99 -0.18 0.00 0.48 0.00 0.00 55.95 58.60 3hg1 s SER 144 Cb -0.11 -2.56 0.29 0.00 0.10 0.00 0.00 66.02 63.74 3hg1 s SER 144 CO 0.25 -1.21 1.05 0.00 0.98 0.00 0.00 173.24 174.31 3hg1 s GLN 145 N -3.67 -1.27 0.32 4.02 -2.07 -1.26 -5.01 119.66 110.72 3hg1 s GLN 145 Ca 0.68 0.21 0.08 0.00 -1.82 0.00 0.00 55.36 54.51 3hg1 s GLN 145 Cb -0.19 -1.57 -0.04 0.00 -1.09 0.00 0.00 33.01 30.12 3hg1 s GLN 145 CO 0.32 -3.80 0.16 0.45 -1.32 0.00 0.00 175.29 171.09 3hg1 s SER 146 N -3.45 4.88 0.51 12.60 0.15 -1.26 -5.07 113.70 122.05 3hg1 s SER 146 Ca 0.69 -0.64 0.05 0.00 0.70 0.00 0.00 55.95 56.76 3hg1 s SER 146 Cb -0.14 -0.87 0.01 0.00 -1.71 0.00 0.00 66.02 63.30 3hg1 s SER 146 CO 0.58 -0.23 0.31 -0.75 1.20 0.00 0.00 173.24 174.35 3hg1 s LYS 147 N -3.85 2.27 -1.63 5.44 2.36 -1.26 -4.53 119.74 118.53 3hg1 s LYS 147 Ca 0.37 -2.00 -0.20 0.00 -2.55 0.00 0.00 55.97 51.59 3hg1 s LYS 147 Cb -0.04 -2.03 0.20 0.00 -1.05 0.00 0.00 37.83 34.91 3hg1 s LYS 147 CO 0.23 -0.46 0.55 -0.25 1.55 0.00 0.00 175.35 176.97 3hg1 n ASP 148 N -1.59 -2.01 -0.33 1.43 8.00 -1.26 -4.01 116.55 116.78 3hg1 n ASP 148 Ca -0.03 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.47 3hg1 n ASP 148 Cb 0.64 -1.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 3hg1 n ASP 148 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3hg1 n SER 149 N -2.37 0.00 0.10 -2.24 7.64 -1.26 -2.17 113.62 113.32 3hg1 n SER 149 Ca 0.10 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.10 3hg1 n SER 149 Cb 0.46 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 63.97 3hg1 n SER 149 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 3hg1 h ASP 150 N 0.22 0.00 -3.91 6.43 3.58 -1.97 -3.43 116.42 117.34 3hg1 h ASP 150 Ca 0.00 -0.06 -0.68 0.00 0.42 0.00 0.00 57.03 56.70 3hg1 h ASP 150 Cb 0.00 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 40.84 3hg1 h ASP 150 CO 0.00 0.03 -0.78 0.54 -2.88 0.00 0.00 179.24 176.15 3hg1 s VAL 151 N -3.14 2.99 -0.10 2.25 0.11 -0.92 -4.36 120.40 117.23 3hg1 s VAL 151 Ca 0.09 -1.05 0.03 0.00 -2.93 0.00 0.00 61.98 58.12 3hg1 s VAL 151 Cb 0.12 -2.25 -0.01 0.00 -1.53 0.00 0.00 36.38 32.71 3hg1 s VAL 151 CO 0.65 0.38 -0.21 -0.31 -3.33 0.00 0.00 175.10 172.28 3hg1 s TYR 152 N -0.91 2.63 -0.05 1.54 2.02 0.32 -4.81 117.35 118.09 3hg1 s TYR 152 Ca 0.15 -0.90 0.01 0.00 -0.37 0.00 0.00 57.07 55.96 3hg1 s TYR 152 Cb -0.11 -1.74 0.02 0.00 -0.40 0.00 0.00 41.96 39.73 3hg1 s TYR 152 CO 0.05 -0.34 -0.06 -1.50 -1.57 0.00 0.00 175.55 172.14 3hg1 s ILE 153 N 0.29 0.63 0.39 2.71 2.07 -1.26 0.70 121.20 126.73 3hg1 s ILE 153 Ca -0.15 -0.17 -0.02 0.00 -1.41 0.00 0.00 60.65 58.90 3hg1 s ILE 153 Cb -0.17 -0.64 -0.04 0.00 0.13 0.00 0.00 42.46 41.74 3hg1 s ILE 153 CO 0.08 0.25 0.64 0.42 -1.91 0.00 0.00 174.94 174.41 3hg1 s THR 154 N 0.92 5.02 0.69 4.00 -4.23 0.16 -4.82 115.64 117.38 3hg1 s THR 154 Ca -0.11 -0.16 -0.11 0.00 -1.18 0.00 0.00 61.69 60.13 3hg1 s THR 154 Cb -0.14 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.85 3hg1 s THR 154 CO 0.00 -0.64 1.06 -0.62 -0.54 0.00 0.00 174.62 173.89 3hg1 s ASP 155 N -3.96 5.42 0.44 3.99 3.68 -1.26 -4.15 116.67 120.83 3hg1 s ASP 155 Ca 0.43 1.62 -0.25 0.00 2.13 0.00 0.00 52.55 56.48 3hg1 s ASP 155 Cb -0.10 -2.50 -0.09 0.00 -1.45 0.00 0.00 42.92 38.78 3hg1 s ASP 155 CO 0.38 -1.42 1.28 2.29 0.13 0.00 0.00 175.17 177.84 3hg1 n LYS 156 N -3.08 1.91 -3.82 4.34 2.85 -1.26 -4.69 118.16 114.41 3hg1 n LYS 156 Ca 0.08 0.68 -0.28 0.00 -1.05 0.00 0.00 58.31 57.74 3hg1 n LYS 156 Cb 0.53 -2.42 -0.16 0.00 -0.65 0.00 0.00 35.03 32.34 3hg1 n LYS 156 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3hg1 s VAL 158 N 1.71 4.38 0.03 0.00 1.01 -1.26 -2.26 120.40 124.01 3hg1 s VAL 158 Ca -0.01 1.54 -0.18 0.00 0.00 0.00 0.00 61.98 63.32 3hg1 s VAL 158 Cb -0.17 -4.46 -0.06 0.00 0.00 0.00 0.00 36.38 31.70 3hg1 s VAL 158 CO -0.07 -0.65 0.52 -1.48 0.00 0.00 0.00 175.10 173.42 3hg1 s LEU 159 N 3.98 4.49 -0.26 3.92 0.05 -0.45 -4.92 118.68 125.49 3hg1 s LEU 159 Ca 0.47 1.15 -0.19 0.00 0.05 0.00 0.00 54.13 55.61 3hg1 s LEU 159 Cb -0.11 -2.81 -0.21 0.00 -2.05 0.00 0.00 46.19 41.01 3hg1 s LEU 159 CO 0.21 0.25 1.40 0.47 -0.55 0.00 0.00 176.35 178.13 3hg1 n ASP 160 N 1.99 0.24 0.00 1.48 10.43 -1.26 -3.90 116.55 125.52 3hg1 n ASP 160 Ca -0.11 -1.91 0.00 0.00 2.57 0.00 0.00 54.79 55.34 3hg1 n ASP 160 Cb 0.51 -0.70 0.00 0.00 1.84 0.00 0.00 41.12 42.77 3hg1 n ASP 160 CO 0.00 0.00 0.00 1.15 -1.07 0.00 0.00 177.20 177.28 3hg1 n MET 161 N 6.57 0.00 0.00 -1.24 -0.00 -1.15 -4.81 117.12 116.49 3hg1 n MET 161 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.99 3hg1 n MET 161 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 33.22 33.62 3hg1 n MET 161 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 3hg1 n ARG 162 N -0.36 0.00 0.09 3.17 0.00 -1.25 -4.55 116.66 113.76 3hg1 n ARG 162 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.78 3hg1 n ARG 162 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 32.46 32.48 3hg1 n ARG 162 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3hg1 h SER 163 N 0.00 0.19 0.00 2.89 0.87 -1.95 -2.90 113.55 112.64 3hg1 h SER 163 Ca 0.00 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 3hg1 h SER 163 Cb 0.00 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 3hg1 h SER 163 CO 0.00 0.92 0.00 0.23 -0.53 0.00 0.00 176.83 177.45 3hg1 n MET 164 N -3.68 0.28 -3.12 2.24 2.81 -1.26 -4.86 117.12 109.54 3hg1 n MET 164 Ca -0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 3hg1 n MET 164 Cb 0.77 -1.04 0.00 0.00 -0.71 0.00 0.00 33.22 32.23 3hg1 n MET 164 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3hg1 n ASP 165 N -0.23 -6.81 -3.18 7.83 -0.08 -1.10 -5.02 116.55 107.95 3hg1 n ASP 165 Ca 0.00 0.57 0.04 0.00 -1.51 0.00 0.00 54.79 53.89 3hg1 n ASP 165 Cb 0.02 -1.54 -0.04 0.00 2.34 0.00 0.00 41.12 41.90 3hg1 n ASP 165 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 3hg1 s PHE 166 N -0.68 -0.03 -0.16 -0.67 5.36 -1.26 -4.99 117.98 115.56 3hg1 s PHE 166 Ca 0.00 0.05 -0.04 0.00 -0.96 0.00 0.00 56.93 55.98 3hg1 s PHE 166 Cb 0.00 0.02 -0.03 0.00 -0.34 0.00 0.00 43.02 42.67 3hg1 s PHE 166 CO 0.00 -0.01 -0.04 0.15 -1.46 0.00 0.00 175.22 173.86 3hg1 s LYS 167 N 1.97 3.65 0.03 10.12 1.02 -1.26 -2.94 119.74 132.32 3hg1 s LYS 167 Ca 0.00 -0.53 0.05 0.00 0.02 0.00 0.00 55.97 55.52 3hg1 s LYS 167 Cb -0.00 -2.91 -0.02 0.00 -0.52 0.00 0.00 37.83 34.38 3hg1 s LYS 167 CO -0.16 0.22 -0.16 -1.12 -0.92 0.00 0.00 175.35 173.21 3hg1 s SER 168 N 0.42 1.92 0.21 2.83 0.01 -1.25 -4.84 113.70 112.99 3hg1 s SER 168 Ca -0.04 -0.43 -0.02 0.00 1.31 0.00 0.00 55.95 56.77 3hg1 s SER 168 Cb -0.14 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 3hg1 s SER 168 CO 0.03 0.11 0.42 0.20 0.41 0.00 0.00 173.24 174.40 3hg1 s ASN 169 N -0.95 6.40 -0.08 2.44 0.01 -1.26 -1.34 114.94 120.15 3hg1 s ASN 169 Ca 0.04 0.46 -0.28 0.00 -0.71 0.00 0.00 52.86 52.37 3hg1 s ASN 169 Cb -0.08 -2.04 0.07 0.00 0.41 0.00 0.00 41.25 39.61 3hg1 s ASN 169 CO 0.01 -0.06 0.65 -0.44 -1.51 0.00 0.00 177.10 175.75 3hg1 s SER 170 N -3.13 -0.63 0.03 -1.22 0.01 -0.96 -1.44 113.70 106.36 3hg1 s SER 170 Ca 0.39 0.78 0.01 0.00 1.31 0.00 0.00 55.95 58.44 3hg1 s SER 170 Cb -0.11 0.66 -0.02 0.00 0.21 0.00 0.00 66.02 66.76 3hg1 s SER 170 CO 0.29 -0.53 -0.05 0.00 0.41 0.00 0.00 173.24 173.35 3hg1 s ALA 171 N -0.94 0.34 0.02 1.44 0.00 0.13 0.13 121.76 122.87 3hg1 s ALA 171 Ca -0.09 -0.67 0.07 0.00 0.00 0.00 0.00 51.96 51.27 3hg1 s ALA 171 Cb -0.01 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 3hg1 s ALA 171 CO 0.08 -0.09 -0.21 0.08 0.00 0.00 0.00 175.76 175.62 3hg1 s VAL 172 N -1.40 1.69 0.01 0.00 1.01 -1.26 -1.67 120.40 118.78 3hg1 s VAL 172 Ca -0.13 -1.07 -0.00 0.00 0.00 0.00 0.00 61.98 60.78 3hg1 s VAL 172 Cb -0.10 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 3hg1 s VAL 172 CO -0.00 0.34 -0.00 0.00 0.00 0.00 0.00 175.10 175.43 3hg1 s ALA 173 N -0.65 0.03 0.30 5.51 0.00 -0.19 0.35 121.76 127.10 3hg1 s ALA 173 Ca 0.08 -0.21 -0.18 0.00 0.00 0.00 0.00 51.96 51.65 3hg1 s ALA 173 Cb -0.09 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.11 3hg1 s ALA 173 CO 0.01 -0.06 0.68 1.67 0.00 0.00 0.00 175.76 178.05 3hg1 s TRP 174 N -0.56 0.02 0.00 0.00 -2.14 0.22 0.04 118.94 116.52 3hg1 s TRP 174 Ca -0.06 -0.49 0.00 0.00 2.66 0.00 0.00 56.10 58.20 3hg1 s TRP 174 Cb -0.04 0.60 0.00 0.00 -3.10 0.00 0.00 33.47 30.94 3hg1 s TRP 174 CO -0.00 -1.25 0.00 0.45 -2.66 0.00 0.00 176.95 173.49 3hg1 n SER 175 N -0.66 0.00 -4.28 -2.66 2.88 -1.26 0.12 113.62 107.76 3hg1 n SER 175 Ca -0.04 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.06 3hg1 n SER 175 Cb 0.60 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.06 3hg1 n SER 175 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3hg1 n ASN 176 N 0.00 5.56 -3.90 -3.46 2.04 -1.26 -4.87 115.26 109.37 3hg1 n ASN 176 Ca 0.00 -3.09 -0.09 0.00 -0.44 0.00 0.00 54.58 50.95 3hg1 n ASN 176 Cb 0.00 -1.34 -0.09 0.00 -2.53 0.00 0.00 39.78 35.82 3hg1 n ASN 176 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 3hg1 s LYS 177 N -1.50 0.69 -0.86 -3.83 1.02 -1.26 -5.10 119.74 108.90 3hg1 s LYS 177 Ca 0.31 -0.82 -0.21 0.00 0.02 0.00 0.00 55.97 55.27 3hg1 s LYS 177 Cb -0.08 0.28 0.09 0.00 -0.52 0.00 0.00 37.83 37.60 3hg1 s LYS 177 CO -0.06 -0.19 1.15 -1.12 -0.92 0.00 0.00 175.35 174.21 3hg1 s SER 178 N -2.39 6.46 0.00 2.83 0.01 -1.26 -4.22 113.70 115.13 3hg1 s SER 178 Ca -0.01 -1.57 0.00 0.00 1.31 0.00 0.00 55.95 55.68 3hg1 s SER 178 Cb 0.01 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.80 3hg1 s SER 178 CO -0.07 -1.29 0.00 -0.90 0.41 0.00 0.00 173.24 171.39 3hg1 n ASP 179 N 7.45 0.00 0.00 2.44 3.85 -1.26 -5.13 116.55 123.91 3hg1 n ASP 179 Ca 0.17 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.25 3hg1 n ASP 179 Cb 0.48 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.25 3hg1 n ASP 179 CO 0.00 0.00 0.00 0.33 -1.01 0.00 0.00 177.20 176.52 3hg1 n PHE 180 N 0.00 0.00 -1.22 2.11 -0.00 -1.26 -4.84 117.46 112.24 3hg1 n PHE 180 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3hg1 n PHE 180 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 3hg1 n PHE 180 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3hg1 n ALA 181 N 0.00 0.72 -1.00 3.13 0.00 -1.26 -5.00 120.51 117.10 3hg1 n ALA 181 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hg1 n ALA 181 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hg1 n ALA 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hg1 n ALA 183 N 0.25 0.00 0.05 0.00 0.00 -1.26 -5.08 120.51 114.47 3hg1 n ALA 183 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hg1 n ALA 183 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hg1 n ALA 183 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3hg1 n ASN 184 N 0.00 0.06 0.00 0.00 2.04 -1.26 -4.85 115.26 111.24 3hg1 n ASN 184 Ca 0.00 0.17 0.00 0.00 -0.44 0.00 0.00 54.58 54.31 3hg1 n ASN 184 Cb 0.00 0.09 0.00 0.00 -2.53 0.00 0.00 39.78 37.34 3hg1 n ASN 184 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3hg1 n ALA 185 N -2.90 0.00 0.00 -2.53 0.00 -1.26 -4.51 120.51 109.31 3hg1 n ALA 185 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hg1 n ALA 185 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hg1 n ALA 185 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3hg1 n PHE 186 N 0.00 0.00 0.00 0.00 1.16 -1.26 -4.87 117.46 112.49 3hg1 n PHE 186 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 3hg1 n PHE 186 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 3hg1 n PHE 186 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 3hg1 n ASN 187 N 0.11 0.00 -0.01 5.98 2.85 -1.26 -4.89 115.26 118.04 3hg1 n ASN 187 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3hg1 n ASN 187 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 3hg1 n ASN 187 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 3hg1 n ASN 188 N 0.00 -0.14 -2.07 1.20 4.05 -1.26 -5.13 115.26 111.91 3hg1 n ASN 188 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 3hg1 n ASN 188 Cb 0.00 0.03 0.00 0.00 1.23 0.00 0.00 39.78 41.04 3hg1 n ASN 188 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 3hg1 n SER 189 N -0.03 0.00 -3.70 1.20 7.64 -1.26 -4.66 113.62 112.81 3hg1 n SER 189 Ca 0.00 -0.82 -0.26 0.00 1.01 0.00 0.00 58.87 58.80 3hg1 n SER 189 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3hg1 n SER 189 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hg1 n ILE 190 N -1.48 -2.53 -3.67 0.44 3.06 -1.26 -4.95 119.36 108.98 3hg1 n ILE 190 Ca 0.00 -0.13 -0.15 0.00 -2.50 0.00 0.00 62.75 59.96 3hg1 n ILE 190 Cb 0.00 -2.23 -0.15 0.00 0.54 0.00 0.00 39.64 37.80 3hg1 n ILE 190 CO 0.00 0.00 0.00 0.27 -2.50 0.00 0.00 176.55 174.32 3hg1 s ILE 191 N -3.07 -0.32 0.30 9.51 -0.00 -1.26 -4.29 121.20 122.07 3hg1 s ILE 191 Ca 0.11 0.32 -0.28 0.00 -0.00 0.00 0.00 60.65 60.80 3hg1 s ILE 191 Cb -0.06 -0.36 -0.09 0.00 -0.00 0.00 0.00 42.46 41.95 3hg1 s ILE 191 CO 0.76 0.13 1.03 -2.84 -0.00 0.00 0.00 174.94 174.03 3hg1 s PRO 192 N 2.33 4.57 0.00 0.37 0.02 -1.14 -4.84 135.00 136.31 3hg1 s PRO 192 Ca 0.02 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.65 3hg1 s PRO 192 Cb -0.12 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.39 3hg1 s PRO 192 CO -0.07 0.21 0.00 0.39 -0.33 0.00 0.00 177.00 177.20 3hg1 n GLU 193 N 0.88 0.00 0.00 5.54 4.71 -1.26 -1.78 120.64 128.73 3hg1 n GLU 193 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3hg1 n GLU 193 Cb 0.47 -0.20 0.00 0.00 -1.01 0.00 0.00 31.44 30.70 3hg1 n GLU 193 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3hg1 n ASP 194 N -1.94 0.00 0.00 1.62 10.43 -1.26 -4.70 116.55 120.70 3hg1 n ASP 194 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3hg1 n ASP 194 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3hg1 n ASP 194 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54