#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hg1 n GLN 2 N 0.00 0.58 0.00 1.43 1.13 -1.26 -2.21 117.38 117.05 3hg1 n GLN 2 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3hg1 n GLN 2 Cb 0.00 -1.24 0.00 0.00 0.11 0.00 0.00 30.24 29.11 3hg1 n GLN 2 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 3hg1 n THR 3 N 0.50 0.00 -3.74 5.09 5.66 -1.26 -4.88 114.28 115.65 3hg1 n THR 3 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 3hg1 n THR 3 Cb 0.23 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.89 3hg1 n THR 3 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3hg1 s ILE 4 N 0.00 -0.03 0.04 1.09 1.10 -0.94 -0.08 121.20 122.38 3hg1 s ILE 4 Ca 0.00 0.11 0.03 0.00 -0.51 0.00 0.00 60.65 60.28 3hg1 s ILE 4 Cb 0.00 -0.41 -0.02 0.00 0.15 0.00 0.00 42.46 42.18 3hg1 s ILE 4 CO 0.00 0.04 -0.10 -1.00 -2.11 0.00 0.00 174.94 171.77 3hg1 s HIS 5 N 1.02 0.89 -0.08 3.50 3.76 0.29 -4.08 115.29 120.59 3hg1 s HIS 5 Ca -0.07 -0.37 -0.03 0.00 -0.15 0.00 0.00 55.06 54.44 3hg1 s HIS 5 Cb -0.08 -0.53 0.04 0.00 1.11 0.00 0.00 32.58 33.12 3hg1 s HIS 5 CO -0.07 -0.01 0.16 -1.14 -0.85 0.00 0.00 174.74 172.83 3hg1 s GLN 6 N -1.18 0.07 0.02 1.40 0.74 -1.26 -0.65 119.66 118.80 3hg1 s GLN 6 Ca -0.03 0.49 -0.07 0.00 0.05 0.00 0.00 55.36 55.79 3hg1 s GLN 6 Cb -0.08 -0.22 -0.00 0.00 1.10 0.00 0.00 33.01 33.81 3hg1 s GLN 6 CO 0.01 -0.24 0.14 1.67 -0.55 0.00 0.00 175.29 176.32 3hg1 s TRP 7 N 1.78 0.09 0.79 1.67 -2.14 -0.93 -4.44 118.94 115.76 3hg1 s TRP 7 Ca -0.03 -0.28 -0.11 0.00 2.66 0.00 0.00 56.10 58.35 3hg1 s TRP 7 Cb -0.12 -0.07 0.06 0.00 -3.10 0.00 0.00 33.47 30.25 3hg1 s TRP 7 CO -0.06 -0.35 1.09 -2.14 -2.66 0.00 0.00 176.95 172.83 3hg1 s PRO 8 N -2.03 2.14 0.05 3.25 0.02 -1.26 -1.80 135.00 135.37 3hg1 s PRO 8 Ca -0.10 0.87 0.02 0.00 0.02 0.00 0.00 61.00 61.82 3hg1 s PRO 8 Cb -0.04 -1.91 -0.25 0.00 0.02 0.00 0.00 34.50 32.32 3hg1 s PRO 8 CO -0.01 -1.64 1.01 0.00 -0.33 0.00 0.00 177.00 176.03 3hg1 h ALA 9 N -1.11 0.34 -3.52 -1.55 0.00 -1.81 -3.41 119.26 108.20 3hg1 h ALA 9 Ca -0.46 -1.06 -0.26 0.00 0.00 0.00 0.00 54.91 53.13 3hg1 h ALA 9 Cb 1.25 0.12 -0.31 0.00 0.00 0.00 0.00 17.79 18.85 3hg1 h ALA 9 CO 0.56 1.22 -0.69 0.99 0.00 0.00 0.00 179.25 181.33 3hg1 s THR 10 N -2.65 -0.04 -0.08 0.00 2.01 -1.26 -1.49 115.64 112.13 3hg1 s THR 10 Ca -0.04 0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.07 3hg1 s THR 10 Cb 0.08 -0.10 0.04 0.00 0.01 0.00 0.00 72.50 72.52 3hg1 s THR 10 CO 0.84 0.05 0.04 -0.76 -0.69 0.00 0.00 174.62 174.11 3hg1 s LEU 11 N 0.70 0.42 -0.41 4.42 1.43 0.11 -4.95 118.68 120.41 3hg1 s LEU 11 Ca -0.06 -0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 3hg1 s LEU 11 Cb -0.08 -0.30 0.10 0.00 0.03 0.00 0.00 46.19 45.94 3hg1 s LEU 11 CO -0.02 -0.25 0.20 -0.69 0.23 0.00 0.00 176.35 175.82 3hg1 s VAL 12 N 2.07 3.43 0.15 -1.59 1.01 -1.26 0.09 120.40 124.30 3hg1 s VAL 12 Ca 0.04 -1.91 0.09 0.00 0.00 0.00 0.00 61.98 60.19 3hg1 s VAL 12 Cb -0.13 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 3hg1 s VAL 12 CO -0.05 -0.63 -0.19 -1.58 0.00 0.00 0.00 175.10 172.65 3hg1 s GLN 13 N 1.20 1.26 0.25 2.72 0.74 -0.75 -4.59 119.66 120.50 3hg1 s GLN 13 Ca 0.06 -1.37 -0.15 0.00 0.05 0.00 0.00 55.36 53.95 3hg1 s GLN 13 Cb -0.23 -1.38 -0.08 0.00 1.10 0.00 0.00 33.01 32.42 3hg1 s GLN 13 CO -0.03 0.29 0.67 -1.25 -0.55 0.00 0.00 175.29 174.42 3hg1 s PRO 14 N -2.62 4.02 0.29 1.67 0.04 -1.26 -0.72 135.00 136.42 3hg1 s PRO 14 Ca 0.14 0.61 -0.29 0.00 0.04 0.00 0.00 61.00 61.51 3hg1 s PRO 14 Cb -0.07 -2.66 -0.13 0.00 0.04 0.00 0.00 34.50 31.68 3hg1 s PRO 14 CO 0.06 0.30 1.23 0.28 0.04 0.00 0.00 177.00 178.90 3hg1 n VAL 15 N 0.13 1.68 -0.57 -0.36 0.31 0.16 -1.51 118.33 118.17 3hg1 n VAL 15 Ca 0.00 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 3hg1 n VAL 15 Cb 0.52 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 3hg1 n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hg1 n GLY 16 N 1.31 0.78 3.85 2.92 0.00 0.51 -4.96 105.19 109.59 3hg1 n GLY 16 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 3hg1 n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hg1 s SER 17 N -2.95 6.76 0.35 1.61 0.15 -0.57 -4.48 113.70 114.57 3hg1 s SER 17 Ca 0.00 1.37 -0.24 0.00 0.70 0.00 0.00 55.95 57.79 3hg1 s SER 17 Cb 0.00 -2.41 -0.10 0.00 -1.71 0.00 0.00 66.02 61.79 3hg1 s SER 17 CO 0.00 -0.31 0.92 -2.16 1.20 0.00 0.00 173.24 172.90 3hg1 s PRO 18 N -3.26 4.42 -0.02 5.44 0.04 -1.26 0.25 135.00 140.61 3hg1 s PRO 18 Ca 0.56 1.20 0.07 0.00 0.04 0.00 0.00 61.00 62.87 3hg1 s PRO 18 Cb -0.10 -2.59 -0.02 0.00 0.04 0.00 0.00 34.50 31.84 3hg1 s PRO 18 CO 0.20 0.18 -0.22 -1.17 0.04 0.00 0.00 177.00 176.03 3hg1 s LEU 19 N -2.46 2.04 -0.08 -3.56 2.96 -0.33 -4.87 118.68 112.38 3hg1 s LEU 19 Ca 0.54 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 54.01 3hg1 s LEU 19 Cb -0.15 -1.15 0.04 0.00 0.50 0.00 0.00 46.19 45.44 3hg1 s LEU 19 CO 0.20 0.27 0.15 -0.55 -1.32 0.00 0.00 176.35 175.10 3hg1 s SER 20 N -0.52 0.53 -0.06 3.68 0.15 -1.26 -0.29 113.70 115.93 3hg1 s SER 20 Ca 0.09 0.31 0.03 0.00 0.70 0.00 0.00 55.95 57.08 3hg1 s SER 20 Cb -0.09 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 3hg1 s SER 20 CO -0.01 -0.22 -0.16 -0.76 1.20 0.00 0.00 173.24 173.29 3hg1 s LEU 21 N 1.98 1.84 0.00 3.45 1.43 0.29 -4.73 118.68 122.95 3hg1 s LEU 21 Ca -0.00 -0.36 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 3hg1 s LEU 21 Cb -0.12 -0.98 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 3hg1 s LEU 21 CO -0.06 0.11 -0.15 -0.70 0.23 0.00 0.00 176.35 175.78 3hg1 s GLU 22 N 0.32 2.30 -0.05 1.70 2.12 -0.74 -0.62 118.70 123.73 3hg1 s GLU 22 Ca -0.10 -0.84 0.02 0.00 0.36 0.00 0.00 54.97 54.41 3hg1 s GLU 22 Cb -0.14 -2.30 0.01 0.00 0.26 0.00 0.00 34.13 31.96 3hg1 s GLU 22 CO 0.04 0.58 -0.10 0.00 -0.54 0.00 0.00 175.26 175.24 3hg1 s THR 24 N 0.57 1.45 -0.04 0.00 2.01 0.18 -1.60 115.64 118.20 3hg1 s THR 24 Ca -0.11 -0.75 0.04 0.00 0.31 0.00 0.00 61.69 61.19 3hg1 s THR 24 Cb -0.14 -1.23 -0.00 0.00 0.01 0.00 0.00 72.50 71.14 3hg1 s THR 24 CO 0.02 0.41 -0.17 0.54 -0.69 0.00 0.00 174.62 174.73 3hg1 s VAL 25 N -0.14 1.44 0.01 3.82 0.11 -1.12 0.11 120.40 124.63 3hg1 s VAL 25 Ca 0.00 -0.73 0.02 0.00 -2.93 0.00 0.00 61.98 58.35 3hg1 s VAL 25 Cb -0.10 -1.23 -0.01 0.00 -1.53 0.00 0.00 36.38 33.51 3hg1 s VAL 25 CO 0.01 0.41 -0.08 -0.70 -3.33 0.00 0.00 175.10 171.42 3hg1 s GLU 26 N -0.02 0.57 0.00 1.54 2.56 0.89 -4.82 118.70 119.42 3hg1 s GLU 26 Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 54.97 54.54 3hg1 s GLU 26 Cb -0.11 -0.51 0.00 0.00 2.00 0.00 0.00 34.13 35.51 3hg1 s GLU 26 CO 0.02 0.13 0.00 0.41 -0.56 0.00 0.00 175.26 175.26 3hg1 n GLY 27 N 2.50 0.79 3.73 -1.50 0.00 -1.26 -4.21 105.19 105.25 3hg1 n GLY 27 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 3hg1 n GLY 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hg1 s THR 28 N -2.00 0.00 0.02 2.61 -4.23 -1.26 -5.15 115.64 105.63 3hg1 s THR 28 Ca 0.00 -1.16 -0.06 0.00 -1.18 0.00 0.00 61.69 59.29 3hg1 s THR 28 Cb 0.00 -2.57 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 3hg1 s THR 28 CO 0.00 0.00 0.10 -0.94 -0.54 0.00 0.00 174.62 173.24 3hg1 s SER 29 N -3.06 0.11 -1.36 3.99 1.04 -1.26 -4.88 113.70 108.28 3hg1 s SER 29 Ca 0.18 -0.38 -0.10 0.00 0.48 0.00 0.00 55.95 56.12 3hg1 s SER 29 Cb -0.04 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.29 3hg1 s SER 29 CO 0.12 -0.43 0.41 0.59 0.98 0.00 0.00 173.24 174.91 3hg1 n ASN 30 N 1.14 -1.52 -4.96 7.02 5.03 -1.26 -4.44 115.26 116.27 3hg1 n ASN 30 Ca -0.21 -1.14 -0.22 0.00 0.87 0.00 0.00 54.58 53.88 3hg1 n ASN 30 Cb 0.57 -2.42 0.02 0.00 -1.02 0.00 0.00 39.78 36.93 3hg1 n ASN 30 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 3hg1 s PRO 31 N -6.87 2.87 -0.22 3.52 0.04 -1.26 -3.42 135.00 129.66 3hg1 s PRO 31 Ca 0.18 -0.65 -0.21 0.00 0.04 0.00 0.00 61.00 60.35 3hg1 s PRO 31 Cb -0.08 -2.55 -0.02 0.00 0.04 0.00 0.00 34.50 31.88 3hg1 s PRO 31 CO 0.93 -0.41 0.64 -0.80 0.04 0.00 0.00 177.00 177.40 3hg1 s ASN 32 N -4.30 6.66 -0.04 6.66 0.01 0.14 -4.70 114.94 119.38 3hg1 s ASN 32 Ca 0.52 0.80 -0.00 0.00 -0.71 0.00 0.00 52.86 53.47 3hg1 s ASN 32 Cb -0.10 -2.35 -0.03 0.00 0.41 0.00 0.00 41.25 39.17 3hg1 s ASN 32 CO 0.37 -0.32 0.01 -0.76 -1.51 0.00 0.00 177.10 174.90 3hg1 s LEU 33 N 2.15 3.60 0.01 0.60 1.02 -1.18 -0.93 118.68 123.95 3hg1 s LEU 33 Ca 0.28 0.08 0.00 0.00 0.02 0.00 0.00 54.13 54.52 3hg1 s LEU 33 Cb -0.16 -1.96 -0.01 0.00 0.02 0.00 0.00 46.19 44.08 3hg1 s LEU 33 CO 0.10 0.32 -0.02 -0.31 0.02 0.00 0.00 176.35 176.46 3hg1 s TYR 34 N -1.01 0.21 -0.39 0.29 2.02 0.29 -1.56 117.35 117.20 3hg1 s TYR 34 Ca 0.17 -0.34 -0.03 0.00 -0.37 0.00 0.00 57.07 56.51 3hg1 s TYR 34 Cb -0.11 -0.14 0.10 0.00 -0.40 0.00 0.00 41.96 41.40 3hg1 s TYR 34 CO 0.07 -0.11 0.16 -1.58 -1.57 0.00 0.00 175.55 172.52 3hg1 s TRP 35 N -0.93 3.53 0.49 2.71 0.52 -0.22 -1.90 118.94 123.14 3hg1 s TRP 35 Ca -0.10 -2.30 0.04 0.00 0.02 0.00 0.00 56.10 53.76 3hg1 s TRP 35 Cb -0.06 -2.99 0.02 0.00 -1.15 0.00 0.00 33.47 29.29 3hg1 s TRP 35 CO -0.01 -0.93 0.68 0.71 0.02 0.00 0.00 176.95 177.42 3hg1 s TYR 36 N 1.16 2.85 -0.07 -1.98 2.02 0.68 -0.34 117.35 121.67 3hg1 s TYR 36 Ca 0.06 -0.18 -0.09 0.00 -0.37 0.00 0.00 57.07 56.49 3hg1 s TYR 36 Cb -0.22 -2.57 0.02 0.00 -0.40 0.00 0.00 41.96 38.79 3hg1 s TYR 36 CO -0.03 -0.66 0.24 0.50 -1.57 0.00 0.00 175.55 174.03 3hg1 s ARG 37 N -4.57 0.37 -0.29 -0.62 3.52 0.79 -1.20 118.95 116.96 3hg1 s ARG 37 Ca 0.56 0.15 0.01 0.00 -0.13 0.00 0.00 55.73 56.32 3hg1 s ARG 37 Cb -0.10 0.17 0.09 0.00 -1.56 0.00 0.00 34.95 33.55 3hg1 s ARG 37 CO 0.36 -0.07 0.03 -1.14 -0.81 0.00 0.00 175.30 173.67 3hg1 s GLN 38 N -0.31 1.24 0.00 5.12 0.74 0.11 -0.68 119.66 125.88 3hg1 s GLN 38 Ca -0.04 -1.27 0.00 0.00 0.05 0.00 0.00 55.36 54.10 3hg1 s GLN 38 Cb -0.03 -2.55 0.00 0.00 1.10 0.00 0.00 33.01 31.52 3hg1 s GLN 38 CO 0.01 -0.83 0.00 0.00 -0.55 0.00 0.00 175.29 173.92 3hg1 n ALA 39 N 4.62 0.00 0.00 1.58 0.00 -1.26 -0.52 120.51 124.93 3hg1 n ALA 39 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3hg1 n ALA 39 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3hg1 n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hg1 n ALA 40 N -3.00 0.00 -1.16 0.00 0.00 -1.26 -4.12 120.51 110.97 3hg1 n ALA 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hg1 n ALA 40 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hg1 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hg1 n GLY 41 N 0.00 0.81 0.00 0.00 0.00 -1.26 -5.08 105.19 99.66 3hg1 n GLY 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hg1 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hg1 n ARG 42 N 0.00 2.07 -0.10 1.61 3.00 -1.26 -5.00 116.66 116.98 3hg1 n ARG 42 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3hg1 n ARG 42 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3hg1 n ARG 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hg1 n GLY 43 N 5.00 -1.20 3.85 -0.13 0.00 -1.26 -4.77 105.19 106.68 3hg1 n GLY 43 Ca 0.00 -1.09 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 3hg1 n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hg1 s LEU 44 N -0.35 4.10 -0.05 0.99 2.01 -1.26 -4.45 118.68 119.67 3hg1 s LEU 44 Ca 0.00 1.26 0.04 0.00 0.01 0.00 0.00 54.13 55.45 3hg1 s LEU 44 Cb 0.00 -4.00 -0.00 0.00 0.01 0.00 0.00 46.19 42.19 3hg1 s LEU 44 CO 0.00 -0.17 -0.18 -1.58 1.01 0.00 0.00 176.35 175.43 3hg1 s GLN 45 N -2.88 1.91 -0.34 1.70 0.74 0.14 -4.87 119.66 116.06 3hg1 s GLN 45 Ca 0.53 -0.64 -0.24 0.00 0.05 0.00 0.00 55.36 55.05 3hg1 s GLN 45 Cb -0.11 -1.64 0.01 0.00 1.10 0.00 0.00 33.01 32.37 3hg1 s GLN 45 CO 0.18 0.25 0.80 -1.17 -0.55 0.00 0.00 175.29 174.80 3hg1 s LEU 46 N 0.05 4.09 -0.22 3.68 2.96 -1.26 -0.15 118.68 127.83 3hg1 s LEU 46 Ca -0.05 0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 54.31 3hg1 s LEU 46 Cb -0.12 -3.08 -0.19 0.00 0.50 0.00 0.00 46.19 43.30 3hg1 s LEU 46 CO 0.03 -0.70 -0.06 0.18 -1.32 0.00 0.00 176.35 174.48 3hg1 n LEU 47 N 6.38 2.58 -3.94 -0.68 4.32 0.53 -4.61 117.00 121.58 3hg1 n LEU 47 Ca 0.04 0.10 -0.10 0.00 -0.02 0.00 0.00 56.01 56.03 3hg1 n LEU 47 Cb 0.48 -0.95 -0.11 0.00 -1.62 0.00 0.00 43.42 41.22 3hg1 n LEU 47 CO 0.53 0.78 -0.31 -0.36 -1.22 0.00 0.00 177.39 176.81 3hg1 s PHE 48 N -2.51 0.18 -0.03 -1.77 0.08 -1.11 -1.75 117.98 111.07 3hg1 s PHE 48 Ca -0.32 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 56.34 3hg1 s PHE 48 Cb 0.09 -0.14 0.02 0.00 -0.57 0.00 0.00 43.02 42.43 3hg1 s PHE 48 CO 0.62 -0.20 0.06 -0.47 -0.10 0.00 0.00 175.22 175.13 3hg1 s TYR 49 N -1.32 -0.03 -0.12 0.36 5.04 -1.10 -1.06 117.35 119.12 3hg1 s TYR 49 Ca -0.14 0.19 0.02 0.00 -2.44 0.00 0.00 57.07 54.70 3hg1 s TYR 49 Cb -0.09 -0.12 0.01 0.00 0.35 0.00 0.00 41.96 42.11 3hg1 s TYR 49 CO -0.00 -0.08 -0.17 0.45 -1.34 0.00 0.00 175.55 174.40 3hg1 s SER 50 N 0.74 2.65 0.12 4.32 0.15 -0.60 -1.86 113.70 119.22 3hg1 s SER 50 Ca -0.06 -0.48 -0.02 0.00 0.70 0.00 0.00 55.95 56.09 3hg1 s SER 50 Cb -0.08 -1.20 -0.14 0.00 -1.71 0.00 0.00 66.02 62.89 3hg1 s SER 50 CO -0.03 0.04 1.27 0.58 1.20 0.00 0.00 173.24 176.30 3hg1 h VAL 51 N 5.92 1.47 -2.55 4.45 2.07 -1.88 -3.12 116.25 122.62 3hg1 h VAL 51 Ca -0.31 -2.73 0.01 0.00 0.82 0.00 0.00 66.70 64.48 3hg1 h VAL 51 Cb 1.18 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 3hg1 h VAL 51 CO 0.51 0.80 0.22 0.61 0.02 0.00 0.00 177.57 179.74 3hg1 n GLY 52 N 1.14 1.23 3.47 2.17 0.00 -1.26 -4.71 105.19 107.23 3hg1 n GLY 52 Ca -0.06 -1.15 -0.46 0.00 0.00 0.00 0.00 46.02 44.35 3hg1 n GLY 52 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3hg1 n ILE 53 N -0.37 1.92 -0.78 -0.61 0.13 -1.26 -1.09 119.36 117.29 3hg1 n ILE 53 Ca -0.05 -0.50 -0.03 0.00 -1.10 0.00 0.00 62.75 61.07 3hg1 n ILE 53 Cb 0.38 -0.44 -0.01 0.00 -0.84 0.00 0.00 39.64 38.72 3hg1 n ILE 53 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3hg1 n GLY 54 N 1.69 0.33 3.17 4.50 0.00 0.91 -4.88 105.19 110.91 3hg1 n GLY 54 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3hg1 n GLY 54 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hg1 s GLN 55 N -1.66 2.28 0.38 1.61 -0.21 -0.25 -4.86 119.66 116.95 3hg1 s GLN 55 Ca 0.00 -1.52 0.08 0.00 0.02 0.00 0.00 55.36 53.94 3hg1 s GLN 55 Cb 0.00 -3.46 -0.03 0.00 1.00 0.00 0.00 33.01 30.52 3hg1 s GLN 55 CO 0.00 -0.86 0.28 0.42 -2.12 0.00 0.00 175.29 173.01 3hg1 s ILE 56 N 1.24 2.90 -0.29 1.08 -1.09 -1.26 -3.64 121.20 120.14 3hg1 s ILE 56 Ca 0.02 -1.47 0.02 0.00 -2.23 0.00 0.00 60.65 56.98 3hg1 s ILE 56 Cb -0.21 -3.04 0.20 0.00 -1.58 0.00 0.00 42.46 37.82 3hg1 s ILE 56 CO -0.02 -0.08 0.70 -0.55 -1.23 0.00 0.00 174.94 173.76 3hg1 s SER 57 N -4.01 -1.34 0.40 3.58 0.15 -0.78 -4.93 113.70 106.77 3hg1 s SER 57 Ca 0.43 0.19 -0.27 0.00 0.70 0.00 0.00 55.95 57.01 3hg1 s SER 57 Cb -0.03 1.87 -0.10 0.00 -1.71 0.00 0.00 66.02 66.05 3hg1 s SER 57 CO 0.26 -0.25 1.44 -0.55 1.20 0.00 0.00 173.24 175.34 3hg1 s SER 58 N 2.86 6.22 0.00 5.45 0.15 -1.26 -2.71 113.70 124.41 3hg1 s SER 58 Ca 0.14 2.95 0.16 0.00 0.70 0.00 0.00 55.95 59.90 3hg1 s SER 58 Cb -0.08 -2.66 0.13 0.00 -1.71 0.00 0.00 66.02 61.70 3hg1 s SER 58 CO -0.25 -0.94 1.01 -0.62 1.20 0.00 0.00 173.24 173.64 3hg1 n GLU 59 N 0.25 1.24 -3.64 5.44 -0.58 -0.72 -4.96 120.64 117.67 3hg1 n GLU 59 Ca 0.02 -1.47 -0.06 0.00 -0.42 0.00 0.00 57.16 55.24 3hg1 n GLU 59 Cb 0.41 -1.30 -0.07 0.00 -0.57 0.00 0.00 31.44 29.90 3hg1 n GLU 59 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3hg1 s VAL 60 N -1.31 0.00 -0.49 2.62 0.11 -1.26 -5.00 120.40 115.07 3hg1 s VAL 60 Ca 0.19 0.00 -0.43 0.00 -2.93 0.00 0.00 61.98 58.80 3hg1 s VAL 60 Cb 0.13 -1.00 -0.19 0.00 -1.53 0.00 0.00 36.38 33.80 3hg1 s VAL 60 CO 0.20 0.00 2.06 -2.65 -3.33 0.00 0.00 175.10 171.38 3hg1 n PRO 61 N 2.95 0.00 -3.87 1.54 -0.01 -1.26 -4.80 135.00 129.55 3hg1 n PRO 61 Ca -0.15 0.00 -0.20 0.00 -0.01 0.00 0.00 63.50 63.14 3hg1 n PRO 61 Cb 0.57 -1.47 -0.06 0.00 -0.01 0.00 0.00 33.50 32.53 3hg1 n PRO 61 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 175.50 176.43 3hg1 n GLN 62 N 7.12 0.68 -0.00 -0.52 7.27 -1.26 -5.05 117.38 125.62 3hg1 n GLN 62 Ca 0.52 -2.68 0.00 0.00 0.07 0.00 0.00 57.00 54.92 3hg1 n GLN 62 Cb -0.04 1.41 -0.00 0.00 2.41 0.00 0.00 30.24 34.02 3hg1 n GLN 62 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 3hg1 n ASN 63 N -1.62 4.52 -4.90 1.69 5.15 -1.26 -5.04 115.26 113.80 3hg1 n ASN 63 Ca -0.05 -0.04 -0.28 0.00 -0.60 0.00 0.00 54.58 53.62 3hg1 n ASN 63 Cb 0.47 1.03 -0.01 0.00 -0.53 0.00 0.00 39.78 40.75 3hg1 n ASN 63 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3hg1 s LEU 64 N -2.97 3.66 0.27 1.20 1.02 -1.26 -4.47 118.68 116.12 3hg1 s LEU 64 Ca -0.00 0.94 0.08 0.00 0.02 0.00 0.00 54.13 55.17 3hg1 s LEU 64 Cb 0.00 -3.88 -0.05 0.00 0.02 0.00 0.00 46.19 42.28 3hg1 s LEU 64 CO 0.03 -0.55 -0.11 -0.44 0.02 0.00 0.00 176.35 175.30 3hg1 s SER 65 N -3.98 3.00 -0.02 2.29 0.01 0.43 -4.95 113.70 110.49 3hg1 s SER 65 Ca 0.48 -1.12 -0.16 0.00 1.31 0.00 0.00 55.95 56.46 3hg1 s SER 65 Cb -0.10 -0.21 0.03 0.00 0.21 0.00 0.00 66.02 65.94 3hg1 s SER 65 CO 0.43 -0.21 0.34 0.00 0.41 0.00 0.00 173.24 174.21 3hg1 s ALA 66 N -2.85 -0.86 0.07 1.44 0.00 -1.26 0.25 121.76 118.55 3hg1 s ALA 66 Ca 0.28 0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.51 3hg1 s ALA 66 Cb 0.01 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.22 3hg1 s ALA 66 CO 0.12 -0.27 0.28 -1.54 0.00 0.00 0.00 175.76 174.35 3hg1 s SER 67 N -1.32 -0.06 -0.51 0.00 1.04 -0.69 -4.91 113.70 107.25 3hg1 s SER 67 Ca -0.13 -0.35 0.06 0.00 0.48 0.00 0.00 55.95 56.01 3hg1 s SER 67 Cb -0.05 0.36 0.21 0.00 0.10 0.00 0.00 66.02 66.64 3hg1 s SER 67 CO 0.05 -0.67 0.50 -1.14 0.98 0.00 0.00 173.24 172.96 3hg1 n ARG 68 N 0.31 1.14 0.00 4.02 0.63 -1.26 -1.23 116.66 120.27 3hg1 n ARG 68 Ca -0.17 -3.76 0.01 0.00 -0.92 0.00 0.00 57.85 53.00 3hg1 n ARG 68 Cb 0.61 -1.79 0.03 0.00 0.45 0.00 0.00 32.46 31.76 3hg1 n ARG 68 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3hg1 n PRO 69 N 1.87 0.00 -3.54 -0.14 -0.02 -1.20 -0.06 135.00 131.90 3hg1 n PRO 69 Ca 0.25 0.44 -0.15 0.00 -2.02 0.00 0.00 63.50 62.02 3hg1 n PRO 69 Cb 0.45 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.38 3hg1 n PRO 69 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3hg1 s GLN 70 N -2.92 0.87 0.33 -0.52 0.74 -1.25 -4.89 119.66 112.02 3hg1 s GLN 70 Ca 0.01 0.23 0.21 0.00 0.05 0.00 0.00 55.36 55.86 3hg1 s GLN 70 Cb 0.01 0.41 1.16 0.00 1.10 0.00 0.00 33.01 35.69 3hg1 s GLN 70 CO 0.03 -0.27 1.30 -3.47 -0.55 0.00 0.00 175.29 172.33 3hg1 n ASP 71 N 0.88 0.25 -0.11 6.67 2.03 -1.26 -0.68 116.55 124.33 3hg1 n ASP 71 Ca -0.15 1.29 0.07 0.00 0.52 0.00 0.00 54.79 56.52 3hg1 n ASP 71 Cb 0.57 -0.63 0.10 0.00 -0.72 0.00 0.00 41.12 40.45 3hg1 n ASP 71 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3hg1 n ARG 72 N -4.67 1.34 -4.00 -0.67 1.74 -1.26 -4.65 116.66 104.48 3hg1 n ARG 72 Ca 0.32 -2.22 -0.32 0.00 -0.77 0.00 0.00 57.85 54.87 3hg1 n ARG 72 Cb 1.16 -1.30 -0.15 0.00 -1.02 0.00 0.00 32.46 31.15 3hg1 n ARG 72 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3hg1 s GLN 73 N -2.25 1.67 -0.12 5.56 0.74 0.14 -2.79 119.66 122.60 3hg1 s GLN 73 Ca 0.24 -1.78 -0.04 0.00 0.05 0.00 0.00 55.36 53.83 3hg1 s GLN 73 Cb 0.21 -3.19 -0.03 0.00 1.10 0.00 0.00 33.01 31.09 3hg1 s GLN 73 CO 0.02 -0.89 0.02 0.12 -0.55 0.00 0.00 175.29 174.02 3hg1 s PHE 74 N 0.96 3.20 0.03 1.67 5.36 -0.63 -3.28 117.98 125.30 3hg1 s PHE 74 Ca 0.07 0.11 0.03 0.00 -0.96 0.00 0.00 56.93 56.18 3hg1 s PHE 74 Cb -0.19 -1.90 -0.02 0.00 -0.34 0.00 0.00 43.02 40.57 3hg1 s PHE 74 CO -0.07 0.33 -0.08 0.42 -1.46 0.00 0.00 175.22 174.36 3hg1 s ILE 75 N -0.38 0.63 -0.05 3.12 1.01 -0.36 -0.15 121.20 125.01 3hg1 s ILE 75 Ca 0.08 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.93 3hg1 s ILE 75 Cb -0.12 -0.63 -0.00 0.00 0.01 0.00 0.00 42.46 41.72 3hg1 s ILE 75 CO 0.02 -0.17 -0.17 -0.22 0.00 0.00 0.00 174.94 174.40 3hg1 s LEU 76 N -1.11 1.89 0.12 2.97 2.96 0.21 -1.71 118.68 124.01 3hg1 s LEU 76 Ca -0.04 -0.36 -0.11 0.00 -0.22 0.00 0.00 54.13 53.40 3hg1 s LEU 76 Cb -0.07 -0.98 0.01 0.00 0.50 0.00 0.00 46.19 45.64 3hg1 s LEU 76 CO 0.00 0.14 0.27 -0.94 -1.32 0.00 0.00 176.35 174.50 3hg1 s SER 77 N 0.15 0.01 -0.01 3.68 1.04 0.14 0.11 113.70 118.81 3hg1 s SER 77 Ca -0.06 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.76 3hg1 s SER 77 Cb -0.13 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.40 3hg1 s SER 77 CO 0.03 -0.80 0.00 -0.55 0.98 0.00 0.00 173.24 172.90 3hg1 s SER 78 N -2.87 0.07 0.16 7.02 0.15 0.60 0.16 113.70 118.99 3hg1 s SER 78 Ca 0.07 0.00 -0.16 0.00 0.70 0.00 0.00 55.95 56.56 3hg1 s SER 78 Cb 0.04 -0.03 0.04 0.00 -1.71 0.00 0.00 66.02 64.36 3hg1 s SER 78 CO -0.09 -0.03 1.78 0.11 1.20 0.00 0.00 173.24 176.22 3hg1 h LYS 79 N 6.43 0.39 -1.03 5.44 1.79 -1.87 -0.87 116.57 126.86 3hg1 h LYS 79 Ca -0.30 -0.02 0.12 0.00 -2.18 0.00 0.00 60.65 58.27 3hg1 h LYS 79 Cb 1.19 -0.09 -0.21 0.00 -1.58 0.00 0.00 32.23 31.54 3hg1 h LYS 79 CO 0.50 0.26 -0.15 -1.59 -1.08 0.00 0.00 179.45 177.39 3hg1 s LYS 80 N -6.16 0.49 0.61 3.15 -2.85 -1.25 -4.00 119.74 109.73 3hg1 s LYS 80 Ca -0.13 0.94 -0.18 0.00 -1.00 0.00 0.00 55.97 55.61 3hg1 s LYS 80 Cb 0.11 0.54 -0.06 0.00 -2.06 0.00 0.00 37.83 36.36 3hg1 s LYS 80 CO 0.72 -0.46 0.71 1.28 0.10 0.00 0.00 175.35 177.70 3hg1 n LEU 81 N 5.41 2.04 -4.35 2.77 4.77 0.69 -4.60 117.00 123.74 3hg1 n LEU 81 Ca -0.04 0.74 -0.26 0.00 -0.03 0.00 0.00 56.01 56.41 3hg1 n LEU 81 Cb 0.51 -1.27 -0.13 0.00 -2.33 0.00 0.00 43.42 40.21 3hg1 n LEU 81 CO -0.01 -2.57 -0.54 -0.76 -1.33 0.00 0.00 177.39 172.18 3hg1 s LEU 82 N -0.64 2.33 0.25 2.23 1.02 -1.26 -0.37 118.68 122.25 3hg1 s LEU 82 Ca 0.72 -0.75 -0.14 0.00 0.02 0.00 0.00 54.13 53.98 3hg1 s LEU 82 Cb -0.41 -1.05 0.32 0.00 0.02 0.00 0.00 46.19 45.07 3hg1 s LEU 82 CO 0.51 0.11 1.56 -0.07 0.02 0.00 0.00 176.35 178.48 3hg1 h LEU 83 N 3.83 -1.15 -1.00 1.79 3.38 -1.93 0.79 115.31 121.03 3hg1 h LEU 83 Ca -0.48 0.29 0.41 0.00 0.09 0.00 0.00 57.88 58.20 3hg1 h LEU 83 Cb 1.18 0.66 -0.17 0.00 0.09 0.00 0.00 40.66 42.42 3hg1 h LEU 83 CO 0.41 -0.30 0.54 -1.20 0.09 0.00 0.00 178.44 177.98 3hg1 n SER 84 N -5.53 0.34 0.27 -0.43 7.64 -1.26 -0.05 113.62 114.59 3hg1 n SER 84 Ca 0.12 1.62 0.18 0.00 1.01 0.00 0.00 58.87 61.80 3hg1 n SER 84 Cb 0.43 -0.79 0.98 0.00 -1.01 0.00 0.00 64.21 63.82 3hg1 n SER 84 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3hg1 h ASP 85 N 0.00 0.00 -3.40 6.43 3.32 0.23 -3.43 116.42 119.56 3hg1 h ASP 85 Ca 0.83 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 57.32 3hg1 h ASP 85 Cb 2.23 0.00 0.18 0.00 0.22 0.00 0.00 39.33 41.96 3hg1 h ASP 85 CO -0.74 0.00 -0.22 -1.20 -1.72 0.00 0.00 179.24 175.36 3hg1 n SER 86 N -2.75 -0.58 0.00 6.45 7.64 0.92 -4.92 113.62 120.38 3hg1 n SER 86 Ca -0.02 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.48 3hg1 n SER 86 Cb 0.06 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 61.97 3hg1 n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hg1 n GLY 87 N 1.46 1.71 3.30 0.23 0.00 -0.42 -4.85 105.19 106.62 3hg1 n GLY 87 Ca 0.11 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 3hg1 n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hg1 s PHE 88 N -1.82 3.31 -0.19 1.61 5.36 0.33 -1.21 117.98 125.36 3hg1 s PHE 88 Ca 0.00 -1.39 -0.24 0.00 -0.96 0.00 0.00 56.93 54.34 3hg1 s PHE 88 Cb 0.00 -3.36 -0.01 0.00 -0.34 0.00 0.00 43.02 39.31 3hg1 s PHE 88 CO 0.00 -0.91 0.79 0.71 -1.46 0.00 0.00 175.22 174.35 3hg1 s TYR 89 N 1.51 3.39 -0.12 10.12 1.51 -0.07 0.08 117.35 133.77 3hg1 s TYR 89 Ca 0.04 1.17 0.01 0.00 -1.01 0.00 0.00 57.07 57.28 3hg1 s TYR 89 Cb -0.26 -2.98 -0.01 0.00 -0.11 0.00 0.00 41.96 38.60 3hg1 s TYR 89 CO 0.03 -0.26 -0.16 -0.51 -1.11 0.00 0.00 175.55 173.54 3hg1 s LEU 90 N 2.24 2.52 -0.14 -1.29 1.43 -0.34 -0.55 118.68 122.56 3hg1 s LEU 90 Ca 0.36 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 52.99 3hg1 s LEU 90 Cb -0.16 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 3hg1 s LEU 90 CO 0.11 0.16 0.09 0.00 0.23 0.00 0.00 176.35 176.94 3hg1 s ALA 92 N -0.42 -0.17 0.03 0.00 0.00 -0.80 -1.57 121.76 118.83 3hg1 s ALA 92 Ca 0.11 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.39 3hg1 s ALA 92 Cb -0.12 0.56 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 3hg1 s ALA 92 CO 0.02 -0.54 -0.04 1.67 0.00 0.00 0.00 175.76 176.87 3hg1 s TRP 93 N -3.88 0.37 0.10 0.00 1.48 -0.76 -0.55 118.94 115.69 3hg1 s TRP 93 Ca 0.07 -0.56 0.06 0.00 -1.06 0.00 0.00 56.10 54.62 3hg1 s TRP 93 Cb 0.05 -0.25 -0.03 0.00 -1.16 0.00 0.00 33.47 32.07 3hg1 s TRP 93 CO -0.09 -0.18 -0.16 -1.54 -4.06 0.00 0.00 176.95 170.93 3hg1 s SER 94 N -1.59 2.03 0.34 -2.66 1.04 -0.11 -0.00 113.70 112.75 3hg1 s SER 94 Ca -0.13 -0.72 -0.29 0.00 0.48 0.00 0.00 55.95 55.29 3hg1 s SER 94 Cb -0.09 -0.08 -0.11 0.00 0.10 0.00 0.00 66.02 65.84 3hg1 s SER 94 CO -0.01 -0.07 1.55 -1.61 0.98 0.00 0.00 173.24 174.08 3hg1 s GLU 95 N -2.18 4.10 -0.11 4.02 2.02 -1.26 0.26 118.70 125.55 3hg1 s GLU 95 Ca 0.05 2.60 -0.36 0.00 0.02 0.00 0.00 54.97 57.28 3hg1 s GLU 95 Cb -0.08 -2.99 -0.17 0.00 0.10 0.00 0.00 34.13 30.99 3hg1 s GLU 95 CO 0.03 -0.60 1.05 -2.37 0.02 0.00 0.00 175.26 173.39 3hg1 n THR 96 N 1.24 0.00 0.00 3.63 5.66 -1.22 -4.40 114.28 119.19 3hg1 n THR 96 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 3hg1 n THR 96 Cb 0.38 -0.11 0.00 0.00 -1.55 0.00 0.00 70.33 69.06 3hg1 n THR 96 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hg1 n GLY 97 N 1.84 0.19 2.40 1.09 0.00 -1.26 -4.82 105.19 104.63 3hg1 n GLY 97 Ca 0.20 -2.01 -0.17 0.00 0.00 0.00 0.00 46.02 44.04 3hg1 n GLY 97 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hg1 n LEU 98 N 0.00 -0.81 0.00 0.99 7.94 -1.26 -4.95 117.00 118.91 3hg1 n LEU 98 Ca 0.00 -4.28 0.00 0.00 -1.11 0.00 0.00 56.01 50.62 3hg1 n LEU 98 Cb 0.00 0.75 0.00 0.00 0.53 0.00 0.00 43.42 44.70 3hg1 n LEU 98 CO 0.00 2.10 0.00 0.61 -1.11 0.00 0.00 177.39 178.99 3hg1 n GLY 99 N 1.11 1.76 0.26 -3.96 0.00 -1.26 -4.85 105.19 98.25 3hg1 n GLY 99 Ca 0.17 -1.72 0.05 0.00 0.00 0.00 0.00 46.02 44.52 3hg1 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hg1 h THR 100 N 0.00 0.00 -0.54 2.61 1.03 -1.99 -3.46 112.91 110.55 3hg1 h THR 100 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 66.41 66.45 3hg1 h THR 100 Cb 0.00 0.23 -0.01 0.00 -1.07 0.00 0.00 68.15 67.29 3hg1 h THR 100 CO 0.00 0.00 -0.07 0.61 -0.01 0.00 0.00 175.52 176.05 3hg1 n GLY 101 N -1.32 -2.12 0.00 2.99 0.00 -1.26 -5.06 105.19 98.42 3hg1 n GLY 101 Ca -0.01 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3hg1 n GLY 101 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hg1 n GLU 102 N -1.29 0.00 -4.16 1.61 2.13 -1.26 -4.98 120.64 112.70 3hg1 n GLU 102 Ca 0.00 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.56 3hg1 n GLU 102 Cb 0.09 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.73 3hg1 n GLU 102 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 3hg1 s LEU 103 N 0.00 3.50 -0.25 4.31 2.34 -1.26 -4.49 118.68 122.83 3hg1 s LEU 103 Ca 0.00 -0.29 -0.05 0.00 0.06 0.00 0.00 54.13 53.85 3hg1 s LEU 103 Cb 0.00 -2.14 -0.00 0.00 -0.56 0.00 0.00 46.19 43.49 3hg1 s LEU 103 CO 0.00 0.09 0.01 -0.36 -1.06 0.00 0.00 176.35 175.03 3hg1 s PHE 104 N -1.72 3.06 0.71 3.48 0.40 1.00 -4.85 117.98 120.05 3hg1 s PHE 104 Ca 0.29 -0.96 -0.07 0.00 -0.60 0.00 0.00 56.93 55.59 3hg1 s PHE 104 Cb -0.10 -2.17 0.06 0.00 0.51 0.00 0.00 43.02 41.33 3hg1 s PHE 104 CO 0.20 -0.56 1.02 -0.06 0.70 0.00 0.00 175.22 176.53 3hg1 s PHE 105 N 1.48 2.86 0.07 0.36 0.40 -1.26 -1.83 117.98 120.07 3hg1 s PHE 105 Ca 0.04 0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.79 3hg1 s PHE 105 Cb -0.16 -3.21 0.00 0.00 0.51 0.00 0.00 43.02 40.17 3hg1 s PHE 105 CO -0.00 -1.44 0.02 0.41 0.70 0.00 0.00 175.22 174.91 3hg1 n GLY 106 N -2.93 3.64 0.34 4.36 0.00 -0.61 -4.24 105.19 105.75 3hg1 n GLY 106 Ca 0.08 -2.21 0.19 0.00 0.00 0.00 0.00 46.02 44.07 3hg1 n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hg1 h GLU 107 N 0.00 0.52 0.00 1.61 4.39 -1.84 -3.46 114.58 115.80 3hg1 h GLU 107 Ca -0.05 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3hg1 h GLU 107 Cb 0.18 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3hg1 h GLU 107 CO 0.09 0.34 0.00 0.41 -1.16 0.00 0.00 179.01 178.69 3hg1 n GLY 108 N -1.31 0.09 2.71 -3.84 0.00 -1.26 -5.01 105.19 96.57 3hg1 n GLY 108 Ca 0.28 -1.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.31 3hg1 n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hg1 s SER 109 N -1.89 1.51 -0.16 1.61 0.01 0.29 -4.60 113.70 110.47 3hg1 s SER 109 Ca 0.00 -0.16 -0.22 0.00 1.31 0.00 0.00 55.95 56.88 3hg1 s SER 109 Cb 0.00 0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.25 3hg1 s SER 109 CO 0.00 -0.30 0.69 -0.13 0.41 0.00 0.00 173.24 173.91 3hg1 s ARG 110 N 2.22 4.28 -0.22 12.44 0.52 -0.56 -0.89 118.95 136.75 3hg1 s ARG 110 Ca 0.04 0.76 0.02 0.00 -0.52 0.00 0.00 55.73 56.03 3hg1 s ARG 110 Cb -0.14 -3.54 0.04 0.00 0.52 0.00 0.00 34.95 31.83 3hg1 s ARG 110 CO -0.08 -0.18 -0.14 -1.17 0.02 0.00 0.00 175.30 173.75 3hg1 s LEU 111 N 1.70 2.79 -0.35 2.53 2.96 -0.35 0.10 118.68 128.05 3hg1 s LEU 111 Ca 0.33 -1.05 -0.09 0.00 -0.22 0.00 0.00 54.13 53.10 3hg1 s LEU 111 Cb -0.16 -1.47 0.03 0.00 0.50 0.00 0.00 46.19 45.09 3hg1 s LEU 111 CO 0.12 -0.11 0.15 -0.89 -1.32 0.00 0.00 176.35 174.30 3hg1 s THR 112 N 1.21 4.16 -0.41 3.68 2.01 0.11 -1.30 115.64 125.10 3hg1 s THR 112 Ca -0.03 -1.00 -0.24 0.00 0.31 0.00 0.00 61.69 60.74 3hg1 s THR 112 Cb -0.17 -3.33 0.02 0.00 0.01 0.00 0.00 72.50 69.03 3hg1 s THR 112 CO -0.08 -0.20 0.82 -0.69 -0.69 0.00 0.00 174.62 173.77 3hg1 s VAL 113 N 1.47 4.65 0.16 3.82 1.01 -1.26 -1.80 120.40 128.46 3hg1 s VAL 113 Ca 0.00 0.72 -0.04 0.00 0.00 0.00 0.00 61.98 62.67 3hg1 s VAL 113 Cb -0.19 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.84 3hg1 s VAL 113 CO 0.05 -0.61 0.39 -0.76 0.00 0.00 0.00 175.10 174.16 3hg1 s LEU 114 N 3.30 4.24 -0.10 3.92 1.43 0.10 -4.79 118.68 126.79 3hg1 s LEU 114 Ca 0.32 0.54 0.01 0.00 -1.03 0.00 0.00 54.13 53.97 3hg1 s LEU 114 Cb -0.12 -3.28 -0.25 0.00 0.03 0.00 0.00 46.19 42.57 3hg1 s LEU 114 CO 0.21 0.01 0.45 1.21 0.23 0.00 0.00 176.35 178.46 3hg1 n GLU 115 N -0.17 0.71 -3.52 1.70 0.00 -1.26 -0.66 120.64 117.44 3hg1 n GLU 115 Ca -0.03 0.27 -0.25 0.00 0.00 0.00 0.00 57.16 57.15 3hg1 n GLU 115 Cb 0.52 -1.73 -0.14 0.00 0.00 0.00 0.00 31.44 30.09 3hg1 n GLU 115 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3hg1 s ASP 116 N -6.66 2.74 0.64 4.31 2.15 -1.26 -4.65 116.67 113.94 3hg1 s ASP 116 Ca -0.16 -0.95 0.30 0.00 0.43 0.00 0.00 52.55 52.16 3hg1 s ASP 116 Cb 0.07 -0.08 1.60 0.00 -0.30 0.00 0.00 42.92 44.20 3hg1 s ASP 116 CO 0.79 -0.40 1.93 -0.07 -0.17 0.00 0.00 175.17 177.25 3hg1 h LEU 117 N 8.37 0.00 -0.95 -1.34 3.38 -1.97 -2.50 115.31 120.29 3hg1 h LEU 117 Ca -0.17 0.00 0.30 0.00 0.09 0.00 0.00 57.88 58.09 3hg1 h LEU 117 Cb 1.06 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.65 3hg1 h LEU 117 CO 0.38 0.00 0.33 0.50 0.09 0.00 0.00 178.44 179.74 3hg1 h LYS 118 N 0.00 0.16 0.00 1.13 3.11 -1.99 0.16 116.57 119.14 3hg1 h LYS 118 Ca 0.07 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 3hg1 h LYS 118 Cb 0.79 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.98 3hg1 h LYS 118 CO -0.00 0.10 0.00 0.09 -2.81 0.00 0.00 179.45 176.83 3hg1 n ASN 119 N -5.24 0.00 -4.69 4.20 5.03 -0.94 -4.82 115.26 108.80 3hg1 n ASN 119 Ca 0.27 -0.39 -0.42 0.00 0.87 0.00 0.00 54.58 54.91 3hg1 n ASN 119 Cb 0.88 -0.12 -0.03 0.00 -1.02 0.00 0.00 39.78 39.49 3hg1 n ASN 119 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hg1 s VAL 120 N -2.25 4.37 -0.00 2.41 1.01 0.57 -4.77 120.40 121.74 3hg1 s VAL 120 Ca 0.27 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.93 3hg1 s VAL 120 Cb 0.14 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3hg1 s VAL 120 CO 0.28 0.00 -0.00 -0.36 0.00 0.00 0.00 175.10 175.02 3hg1 s PHE 121 N 2.13 0.09 0.91 5.22 0.08 0.03 -4.81 117.98 121.63 3hg1 s PHE 121 Ca 0.54 0.00 -0.13 0.00 0.12 0.00 0.00 56.93 57.46 3hg1 s PHE 121 Cb -0.23 -0.09 0.14 0.00 -0.57 0.00 0.00 43.02 42.26 3hg1 s PHE 121 CO 0.21 -0.02 1.18 -1.25 -0.10 0.00 0.00 175.22 175.25 3hg1 s PRO 122 N 0.16 1.14 0.43 0.24 0.04 -1.26 -1.05 135.00 134.70 3hg1 s PRO 122 Ca -0.01 0.07 -0.05 0.00 0.04 0.00 0.00 61.00 61.05 3hg1 s PRO 122 Cb -0.03 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 3hg1 s PRO 122 CO -0.00 -2.15 0.73 -1.25 0.04 0.00 0.00 177.00 174.36 3hg1 s PRO 123 N -5.50 3.58 -0.38 0.56 0.04 -1.26 -4.11 135.00 127.93 3hg1 s PRO 123 Ca 0.66 0.14 -0.00 0.00 0.04 0.00 0.00 61.00 61.84 3hg1 s PRO 123 Cb -0.11 -2.44 0.10 0.00 0.04 0.00 0.00 34.50 32.09 3hg1 s PRO 123 CO 0.52 -0.09 0.13 -1.21 0.04 0.00 0.00 177.00 176.39 3hg1 s GLU 124 N -4.44 1.85 0.05 4.56 2.02 -0.26 -4.87 118.70 117.61 3hg1 s GLU 124 Ca 0.47 -1.80 -0.30 0.00 0.02 0.00 0.00 54.97 53.36 3hg1 s GLU 124 Cb -0.10 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 3hg1 s GLU 124 CO 0.40 -0.99 0.99 0.08 0.02 0.00 0.00 175.26 175.76 3hg1 s VAL 125 N 1.06 4.65 -0.28 2.63 1.01 -1.26 -2.64 120.40 125.57 3hg1 s VAL 125 Ca 0.08 2.02 -0.03 0.00 0.00 0.00 0.00 61.98 64.05 3hg1 s VAL 125 Cb -0.21 -4.29 0.11 0.00 0.00 0.00 0.00 36.38 31.98 3hg1 s VAL 125 CO -0.05 0.22 0.17 0.00 0.00 0.00 0.00 175.10 175.43 3hg1 s ALA 126 N 0.59 0.35 -0.32 5.51 0.00 -0.79 -4.62 121.76 122.48 3hg1 s ALA 126 Ca 0.50 -0.85 -0.22 0.00 0.00 0.00 0.00 51.96 51.39 3hg1 s ALA 126 Cb -0.23 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.43 3hg1 s ALA 126 CO 0.29 -1.63 0.74 0.54 0.00 0.00 0.00 175.76 175.70 3hg1 s VAL 127 N 2.16 4.82 0.62 0.00 0.11 -1.26 -2.42 120.40 124.44 3hg1 s VAL 127 Ca 0.09 1.01 -0.07 0.00 -2.93 0.00 0.00 61.98 60.07 3hg1 s VAL 127 Cb -0.16 -4.12 0.02 0.00 -1.53 0.00 0.00 36.38 30.59 3hg1 s VAL 127 CO -0.34 -0.27 0.95 -0.36 -3.33 0.00 0.00 175.10 171.75 3hg1 s PHE 128 N 2.89 3.22 0.15 1.54 0.40 0.33 -4.92 117.98 121.59 3hg1 s PHE 128 Ca 0.30 0.68 0.08 0.00 -0.60 0.00 0.00 56.93 57.39 3hg1 s PHE 128 Cb -0.14 -2.85 -0.04 0.00 0.51 0.00 0.00 43.02 40.50 3hg1 s PHE 128 CO 0.13 -0.96 -0.18 -1.83 0.70 0.00 0.00 175.22 173.08 3hg1 s GLU 129 N -5.08 1.22 0.19 0.44 -1.05 -1.26 -1.69 118.70 111.47 3hg1 s GLU 129 Ca 0.55 -1.35 -0.04 0.00 -0.15 0.00 0.00 54.97 53.98 3hg1 s GLU 129 Cb -0.11 -1.28 -0.03 0.00 -0.44 0.00 0.00 34.13 32.27 3hg1 s GLU 129 CO 0.46 0.26 -0.25 -2.30 0.95 0.00 0.00 175.26 174.39 3hg1 n PRO 130 N 0.44 0.00 -4.17 -4.83 -0.02 -1.25 -4.89 135.00 120.27 3hg1 n PRO 130 Ca -0.14 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.18 3hg1 n PRO 130 Cb 0.57 -0.23 -0.13 0.00 -0.02 0.00 0.00 33.50 33.69 3hg1 n PRO 130 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hg1 s SER 131 N -0.23 0.96 0.00 2.55 0.15 -1.26 -5.02 113.70 110.86 3hg1 s SER 131 Ca 0.06 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.35 3hg1 s SER 131 Cb 0.02 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 3hg1 s SER 131 CO 0.10 -0.05 0.00 -0.62 1.20 0.00 0.00 173.24 173.88 3hg1 n GLU 132 N 2.12 0.00 0.00 5.44 1.02 -1.26 -2.76 120.64 125.20 3hg1 n GLU 132 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 3hg1 n GLU 132 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 3hg1 n GLU 132 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hg1 n ALA 133 N -0.26 0.00 0.00 0.62 0.00 -1.26 -3.05 120.51 116.56 3hg1 n ALA 133 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hg1 n ALA 133 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.52 3hg1 n ALA 133 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3hg1 n GLU 134 N -0.36 0.00 -1.98 0.00 2.13 -1.11 0.68 120.64 120.00 3hg1 n GLU 134 Ca 0.00 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.44 3hg1 n GLU 134 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 3hg1 n GLU 134 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3hg1 n ILE 135 N -0.80 2.70 0.00 6.31 -0.00 -1.16 -0.66 119.36 125.75 3hg1 n ILE 135 Ca 0.00 -2.67 0.00 0.00 -0.00 0.00 0.00 62.75 60.08 3hg1 n ILE 135 Cb 0.00 -2.32 0.00 0.00 -0.00 0.00 0.00 39.64 37.32 3hg1 n ILE 135 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 3hg1 n SER 136 N 10.05 0.00 0.00 4.38 2.88 0.21 -4.84 113.62 126.31 3hg1 n SER 136 Ca 0.48 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 3hg1 n SER 136 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 3hg1 n SER 136 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 3hg1 n HIS 137 N 0.00 0.00 0.00 0.66 -0.00 -1.16 -4.65 115.22 110.08 3hg1 n HIS 137 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3hg1 n HIS 137 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3hg1 n HIS 137 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 3hg1 n THR 138 N 0.00 0.00 -1.59 3.57 -1.04 0.17 -4.99 114.28 110.40 3hg1 n THR 138 Ca 0.00 -0.04 -0.18 0.00 -2.04 0.00 0.00 64.05 61.79 3hg1 n THR 138 Cb 0.00 0.47 -0.07 0.00 -1.82 0.00 0.00 70.33 68.90 3hg1 n THR 138 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hg1 n GLN 139 N -0.23 -1.43 -4.37 -2.82 1.13 -0.68 -4.95 117.38 104.03 3hg1 n GLN 139 Ca 0.00 1.07 -0.25 0.00 -1.94 0.00 0.00 57.00 55.88 3hg1 n GLN 139 Cb 0.00 -5.43 -0.09 0.00 0.11 0.00 0.00 30.24 24.84 3hg1 n GLN 139 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3hg1 s LYS 140 N -3.65 2.04 -0.17 -1.09 1.02 -1.24 -1.66 119.74 114.98 3hg1 s LYS 140 Ca 0.00 -1.76 -0.01 0.00 0.02 0.00 0.00 55.97 54.22 3hg1 s LYS 140 Cb 0.00 -1.90 0.05 0.00 -0.52 0.00 0.00 37.83 35.45 3hg1 s LYS 140 CO 0.00 0.15 -0.03 0.00 -0.92 0.00 0.00 175.35 174.55 3hg1 s ALA 141 N -2.52 1.40 -0.49 5.17 0.00 0.03 -3.12 121.76 122.23 3hg1 s ALA 141 Ca 0.34 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 3hg1 s ALA 141 Cb -0.00 -1.14 0.13 0.00 0.00 0.00 0.00 23.12 22.11 3hg1 s ALA 141 CO 0.19 -0.86 0.27 0.99 0.00 0.00 0.00 175.76 176.35 3hg1 s THR 142 N 1.67 3.22 0.55 0.00 2.01 -1.26 0.26 115.64 122.08 3hg1 s THR 142 Ca 0.00 -2.57 -0.17 0.00 0.31 0.00 0.00 61.69 59.26 3hg1 s THR 142 Cb -0.16 -3.18 -0.06 0.00 0.01 0.00 0.00 72.50 69.11 3hg1 s THR 142 CO -0.07 -0.76 1.03 -0.76 -0.69 0.00 0.00 174.62 173.37 3hg1 s LEU 143 N 0.51 3.60 -0.07 4.42 1.02 0.85 -3.75 118.68 125.25 3hg1 s LEU 143 Ca 0.13 1.75 -0.00 0.00 0.02 0.00 0.00 54.13 56.03 3hg1 s LEU 143 Cb -0.22 -4.53 0.02 0.00 0.02 0.00 0.00 46.19 41.49 3hg1 s LEU 143 CO -0.04 -0.91 -0.04 -0.69 0.02 0.00 0.00 176.35 174.69 3hg1 s VAL 144 N -2.43 0.66 -0.00 -1.59 1.01 -0.68 -1.50 120.40 115.87 3hg1 s VAL 144 Ca 0.63 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.42 3hg1 s VAL 144 Cb -0.14 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 3hg1 s VAL 144 CO 0.32 0.29 0.28 0.00 0.00 0.00 0.00 175.10 175.99 3hg1 s LEU 146 N -1.63 0.76 -0.01 0.00 2.96 -1.01 -2.50 118.68 117.25 3hg1 s LEU 146 Ca 0.26 -1.48 -0.21 0.00 -0.22 0.00 0.00 54.13 52.48 3hg1 s LEU 146 Cb -0.13 -0.40 -0.05 0.00 0.50 0.00 0.00 46.19 46.10 3hg1 s LEU 146 CO 0.15 -0.42 0.62 0.00 -1.32 0.00 0.00 176.35 175.38 3hg1 s ALA 147 N 1.88 3.46 0.16 5.97 0.00 -0.81 -1.88 121.76 130.54 3hg1 s ALA 147 Ca 0.11 0.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.10 3hg1 s ALA 147 Cb -0.17 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 3hg1 s ALA 147 CO -0.30 0.12 0.13 0.95 0.00 0.00 0.00 175.76 176.67 3hg1 s THR 148 N -0.05 0.07 -1.64 0.00 -4.23 -1.08 -1.20 115.64 107.51 3hg1 s THR 148 Ca 0.32 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 3hg1 s THR 148 Cb -0.18 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.55 3hg1 s THR 148 CO 0.18 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 3hg1 n GLY 149 N -0.16 -0.28 3.98 3.99 0.00 0.41 -1.10 105.19 112.03 3hg1 n GLY 149 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 3hg1 n GLY 149 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hg1 s PHE 150 N -2.90 3.15 0.00 1.61 -0.71 -0.86 -4.60 117.98 113.67 3hg1 s PHE 150 Ca 0.00 -0.08 0.00 0.00 -1.04 0.00 0.00 56.93 55.81 3hg1 s PHE 150 Cb 0.00 -2.09 0.00 0.00 -1.21 0.00 0.00 43.02 39.72 3hg1 s PHE 150 CO 0.00 -0.11 0.00 0.98 -1.34 0.00 0.00 175.22 174.75 3hg1 n TYR 151 N -1.77 0.00 -0.18 3.49 9.36 -0.22 0.11 117.16 127.96 3hg1 n TYR 151 Ca 0.00 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.04 3hg1 n TYR 151 Cb 0.58 0.00 0.18 0.00 -0.63 0.00 0.00 39.34 39.47 3hg1 n TYR 151 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3hg1 n PRO 152 N -0.06 -3.37 0.00 2.98 -0.04 -1.26 -0.79 135.00 132.46 3hg1 n PRO 152 Ca 0.00 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.59 3hg1 n PRO 152 Cb 0.00 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 3hg1 n PRO 152 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3hg1 n ASP 153 N -4.23 0.00 -4.57 3.54 -0.08 -1.26 -4.84 116.55 105.11 3hg1 n ASP 153 Ca 0.08 0.35 -0.26 0.00 -1.51 0.00 0.00 54.79 53.45 3hg1 n ASP 153 Cb 0.36 -0.09 -0.11 0.00 2.34 0.00 0.00 41.12 43.62 3hg1 n ASP 153 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 3hg1 s HIS 154 N -1.68 2.41 0.07 -0.67 2.46 -1.26 -4.85 115.29 111.77 3hg1 s HIS 154 Ca 0.00 -0.60 0.00 0.00 0.47 0.00 0.00 55.06 54.93 3hg1 s HIS 154 Cb 0.00 -1.53 -0.00 0.00 -0.13 0.00 0.00 32.58 30.92 3hg1 s HIS 154 CO 0.00 0.49 0.08 1.33 -2.47 0.00 0.00 174.74 174.18 3hg1 n VAL 155 N -0.85 0.00 -3.86 0.89 0.24 -1.26 -4.54 118.33 108.95 3hg1 n VAL 155 Ca -0.05 -0.38 -0.30 0.00 -2.04 0.00 0.00 64.34 61.58 3hg1 n VAL 155 Cb 0.65 0.22 -0.16 0.00 -1.47 0.00 0.00 33.84 33.08 3hg1 n VAL 155 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3hg1 s GLU 156 N -2.18 1.24 0.14 7.34 2.02 0.14 -4.93 118.70 122.47 3hg1 s GLU 156 Ca 0.06 -0.87 -0.21 0.00 0.02 0.00 0.00 54.97 53.96 3hg1 s GLU 156 Cb -0.00 -2.42 -0.07 0.00 0.10 0.00 0.00 34.13 31.74 3hg1 s GLU 156 CO 0.04 -0.67 0.67 -1.17 0.02 0.00 0.00 175.26 174.16 3hg1 s LEU 157 N 1.53 4.51 0.02 1.80 0.20 -1.26 -0.16 118.68 125.32 3hg1 s LEU 157 Ca -0.02 1.42 -0.00 0.00 0.69 0.00 0.00 54.13 56.22 3hg1 s LEU 157 Cb -0.18 -3.18 -0.02 0.00 -0.43 0.00 0.00 46.19 42.38 3hg1 s LEU 157 CO -0.09 0.20 -0.02 -0.55 -0.29 0.00 0.00 176.35 175.60 3hg1 s SER 158 N -1.25 0.23 -0.18 3.68 0.15 0.26 -4.97 113.70 111.62 3hg1 s SER 158 Ca 0.34 -0.49 -0.03 0.00 0.70 0.00 0.00 55.95 56.48 3hg1 s SER 158 Cb -0.20 0.11 -0.01 0.00 -1.71 0.00 0.00 66.02 64.20 3hg1 s SER 158 CO 0.22 -0.31 -0.07 0.26 1.20 0.00 0.00 173.24 174.54 3hg1 s TRP 159 N -1.48 2.92 -0.11 3.44 0.52 -1.26 0.69 118.94 123.66 3hg1 s TRP 159 Ca -0.16 -0.76 0.03 0.00 0.02 0.00 0.00 56.10 55.23 3hg1 s TRP 159 Cb -0.10 -1.99 0.01 0.00 -1.15 0.00 0.00 33.47 30.24 3hg1 s TRP 159 CO -0.01 -0.36 -0.20 -1.58 0.02 0.00 0.00 176.95 174.81 3hg1 s TRP 160 N 0.94 2.35 -0.22 -1.98 0.52 -0.12 0.05 118.94 120.47 3hg1 s TRP 160 Ca -0.01 -1.06 -0.01 0.00 0.02 0.00 0.00 56.10 55.04 3hg1 s TRP 160 Cb -0.15 -1.61 0.02 0.00 -1.15 0.00 0.00 33.47 30.58 3hg1 s TRP 160 CO 0.00 -0.48 -0.10 0.08 0.02 0.00 0.00 176.95 176.47 3hg1 s VAL 161 N 0.66 2.67 -1.63 4.03 1.01 -1.26 -1.62 120.40 124.26 3hg1 s VAL 161 Ca -0.12 -0.93 -0.13 0.00 0.00 0.00 0.00 61.98 60.80 3hg1 s VAL 161 Cb -0.16 -2.27 0.12 0.00 0.00 0.00 0.00 36.38 34.06 3hg1 s VAL 161 CO 0.03 0.34 0.66 0.59 0.00 0.00 0.00 175.10 176.72 3hg1 n ASN 162 N 4.66 -2.38 -1.08 3.32 3.02 0.80 -4.27 115.26 119.32 3hg1 n ASN 162 Ca -0.18 -1.03 0.13 0.00 -0.03 0.00 0.00 54.58 53.47 3hg1 n ASN 162 Cb 0.48 -2.74 -0.07 0.00 -0.61 0.00 0.00 39.78 36.84 3hg1 n ASN 162 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hg1 n GLY 163 N -1.59 -3.05 0.00 7.41 0.00 -1.26 -4.93 105.19 101.77 3hg1 n GLY 163 Ca -0.03 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3hg1 n GLY 163 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hg1 n LYS 164 N -3.78 0.00 0.00 1.61 4.76 -1.26 -4.98 118.16 114.51 3hg1 n LYS 164 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 3hg1 n LYS 164 Cb 0.51 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.70 3hg1 n LYS 164 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 3hg1 n GLU 165 N 0.00 0.00 -4.03 1.97 2.13 -1.26 -4.95 120.64 114.51 3hg1 n GLU 165 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 3hg1 n GLU 165 Cb 0.00 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.60 3hg1 n GLU 165 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3hg1 s VAL 166 N -3.46 0.30 0.00 6.31 -7.23 0.11 -4.73 120.40 111.70 3hg1 s VAL 166 Ca 0.00 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.08 3hg1 s VAL 166 Cb 0.00 -0.55 0.00 0.00 0.56 0.00 0.00 36.38 36.39 3hg1 s VAL 166 CO 0.00 -0.52 0.00 1.41 -0.31 0.00 0.00 175.10 175.68 3hg1 n HIS 167 N 1.35 0.00 -1.42 2.82 -0.00 -1.26 -4.42 115.22 112.28 3hg1 n HIS 167 Ca -0.22 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.19 3hg1 n HIS 167 Cb 0.56 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.63 3hg1 n HIS 167 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3hg1 s SER 168 N -1.97 4.58 -1.45 0.41 0.15 -1.26 -3.70 113.70 110.47 3hg1 s SER 168 Ca 0.00 1.56 -0.11 0.00 0.70 0.00 0.00 55.95 58.10 3hg1 s SER 168 Cb 0.00 -2.32 0.11 0.00 -1.71 0.00 0.00 66.02 62.10 3hg1 s SER 168 CO 0.00 -1.95 0.28 0.61 1.20 0.00 0.00 173.24 173.38 3hg1 n GLY 169 N -1.68 -0.23 3.33 9.45 0.00 -1.26 -4.88 105.19 109.92 3hg1 n GLY 169 Ca 0.08 0.10 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 3hg1 n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hg1 s VAL 170 N -3.45 1.67 -0.30 1.61 1.01 -1.24 -2.20 120.40 117.50 3hg1 s VAL 170 Ca 0.39 -2.10 -0.13 0.00 0.00 0.00 0.00 61.98 60.13 3hg1 s VAL 170 Cb -0.22 -1.94 0.14 0.00 0.00 0.00 0.00 36.38 34.35 3hg1 s VAL 170 CO 0.85 -0.55 0.82 0.00 0.00 0.00 0.00 175.10 176.22 3hg1 s THR 172 N 2.49 1.65 0.40 0.00 2.01 -1.26 0.57 115.64 121.50 3hg1 s THR 172 Ca -0.05 -1.05 -0.24 0.00 0.31 0.00 0.00 61.69 60.66 3hg1 s THR 172 Cb -0.08 -1.41 -0.12 0.00 0.01 0.00 0.00 72.50 70.90 3hg1 s THR 172 CO -0.18 0.33 0.80 0.47 -0.69 0.00 0.00 174.62 175.35 3hg1 n ASP 173 N 2.19 0.28 -0.31 3.53 8.00 0.19 -4.86 116.55 125.56 3hg1 n ASP 173 Ca -0.16 1.00 0.10 0.00 0.71 0.00 0.00 54.79 56.43 3hg1 n ASP 173 Cb 0.53 -1.23 0.31 0.00 -0.02 0.00 0.00 41.12 40.71 3hg1 n ASP 173 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3hg1 h PRO 174 N 1.23 0.81 -2.70 -0.24 0.13 -1.99 -3.45 132.00 125.78 3hg1 h PRO 174 Ca -0.42 -0.05 0.11 0.00 -0.87 0.00 0.00 66.00 64.78 3hg1 h PRO 174 Cb 1.37 -0.18 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 3hg1 h PRO 174 CO 0.55 0.54 0.35 1.14 -0.23 0.00 0.00 178.00 180.35 3hg1 s GLN 175 N -5.81 1.55 0.64 0.86 0.00 -1.26 -5.17 119.66 110.48 3hg1 s GLN 175 Ca -0.11 -0.87 -0.12 0.00 -0.00 0.00 0.00 55.36 54.26 3hg1 s GLN 175 Cb 0.22 0.52 -0.02 0.00 0.00 0.00 0.00 33.01 33.73 3hg1 s GLN 175 CO 0.80 -0.71 1.04 -1.25 0.00 0.00 0.00 175.29 175.17 3hg1 s PRO 176 N -3.49 3.30 -0.03 9.60 0.04 -1.26 -4.93 135.00 138.24 3hg1 s PRO 176 Ca 0.12 0.90 0.05 0.00 0.04 0.00 0.00 61.00 62.12 3hg1 s PRO 176 Cb -0.04 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 3hg1 s PRO 176 CO 0.05 -0.81 -0.18 -0.48 0.04 0.00 0.00 177.00 175.62 3hg1 s LEU 177 N -5.19 2.51 0.38 -3.56 0.05 -0.70 -4.89 118.68 107.27 3hg1 s LEU 177 Ca 0.57 -0.31 -0.28 0.00 0.05 0.00 0.00 54.13 54.17 3hg1 s LEU 177 Cb -0.13 -1.48 -0.10 0.00 -2.05 0.00 0.00 46.19 42.43 3hg1 s LEU 177 CO 0.51 0.33 1.43 -0.54 -0.55 0.00 0.00 176.35 177.53 3hg1 s LYS 178 N -0.79 4.11 -0.03 1.48 1.02 -1.26 -1.96 119.74 122.31 3hg1 s LYS 178 Ca 0.11 2.45 0.03 0.00 0.02 0.00 0.00 55.97 58.59 3hg1 s LYS 178 Cb -0.10 -2.94 0.16 0.00 -0.52 0.00 0.00 37.83 34.42 3hg1 s LYS 178 CO 0.01 -0.49 0.86 0.39 -0.92 0.00 0.00 175.35 175.20 3hg1 n GLU 179 N 0.44 1.66 0.00 1.68 1.02 -0.42 -4.39 120.64 120.63 3hg1 n GLU 179 Ca 0.01 -0.61 0.00 0.00 -0.02 0.00 0.00 57.16 56.55 3hg1 n GLU 179 Cb 0.40 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 3hg1 n GLU 179 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hg1 n GLN 180 N 0.07 0.00 -0.15 3.49 10.64 -1.26 -4.96 117.38 125.21 3hg1 n GLN 180 Ca 0.05 0.00 0.27 0.00 -1.83 0.00 0.00 57.00 55.50 3hg1 n GLN 180 Cb 0.35 0.00 0.57 0.00 -0.86 0.00 0.00 30.24 30.29 3hg1 n GLN 180 CO 0.00 0.00 0.00 -1.35 -1.83 0.00 0.00 177.06 173.88 3hg1 h PRO 181 N 0.00 0.00 -5.73 2.61 0.11 -1.96 -3.26 132.00 123.76 3hg1 h PRO 181 Ca 0.00 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 65.42 3hg1 h PRO 181 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 3hg1 h PRO 181 CO 0.00 0.00 2.11 0.00 -0.21 0.00 0.00 178.00 179.90 3hg1 s ALA 182 N -4.53 3.40 0.00 -0.75 0.00 -1.26 -3.79 121.76 114.83 3hg1 s ALA 182 Ca -0.03 -2.97 0.00 0.00 0.00 0.00 0.00 51.96 48.96 3hg1 s ALA 182 Cb 0.15 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.69 3hg1 s ALA 182 CO 0.53 -3.24 0.00 -0.11 0.00 0.00 0.00 175.76 172.93 3hg1 n LEU 183 N 8.08 0.00 0.00 0.00 0.00 -1.23 -4.95 117.00 118.90 3hg1 n LEU 183 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.49 3hg1 n LEU 183 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.88 3hg1 n LEU 183 CO 0.75 0.00 0.00 0.59 0.00 0.00 0.00 177.39 178.73 3hg1 n ASN 184 N 0.00 0.00 0.23 1.96 3.02 -1.25 -4.45 115.26 114.77 3hg1 n ASN 184 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.62 3hg1 n ASN 184 Cb 0.00 0.00 0.56 0.00 -0.61 0.00 0.00 39.78 39.73 3hg1 n ASN 184 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3hg1 h ASP 185 N 0.00 0.00 0.00 6.41 3.45 -1.94 -3.46 116.42 120.88 3hg1 h ASP 185 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3hg1 h ASP 185 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3hg1 h ASP 185 CO 0.00 0.18 0.00 -0.24 -1.57 0.00 0.00 179.24 177.61 3hg1 n SER 186 N -4.09 0.00 -4.92 6.45 2.88 -1.26 -4.88 113.62 107.79 3hg1 n SER 186 Ca -0.02 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.25 3hg1 n SER 186 Cb 0.26 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.78 3hg1 n SER 186 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3hg1 s ARG 187 N 0.00 2.26 0.41 -1.46 0.52 -1.26 -4.84 118.95 114.58 3hg1 s ARG 187 Ca 0.00 -0.16 0.06 0.00 -0.52 0.00 0.00 55.73 55.11 3hg1 s ARG 187 Cb 0.00 -2.15 -0.07 0.00 0.52 0.00 0.00 34.95 33.25 3hg1 s ARG 187 CO 0.00 -1.22 0.02 0.71 0.02 0.00 0.00 175.30 174.83 3hg1 s TYR 188 N -3.26 2.41 0.17 -0.53 2.02 0.30 -1.30 117.35 117.16 3hg1 s TYR 188 Ca 0.60 -0.73 0.01 0.00 -0.37 0.00 0.00 57.07 56.58 3hg1 s TYR 188 Cb -0.11 -1.71 -0.05 0.00 -0.40 0.00 0.00 41.96 39.70 3hg1 s TYR 188 CO 0.45 0.38 0.02 0.00 -1.57 0.00 0.00 175.55 174.83 3hg1 s ALA 189 N -2.79 1.27 -0.18 3.71 0.00 -0.83 -0.45 121.76 122.50 3hg1 s ALA 189 Ca 0.33 -1.58 -0.28 0.00 0.00 0.00 0.00 51.96 50.43 3hg1 s ALA 189 Cb 0.09 0.63 0.10 0.00 0.00 0.00 0.00 23.12 23.94 3hg1 s ALA 189 CO 0.17 -0.36 0.87 -1.17 0.00 0.00 0.00 175.76 175.27 3hg1 s LEU 190 N -3.16 -0.54 0.18 0.00 2.96 -0.34 -1.71 118.68 116.07 3hg1 s LEU 190 Ca 0.25 0.79 0.04 0.00 -0.22 0.00 0.00 54.13 54.99 3hg1 s LEU 190 Cb 0.06 2.16 -0.05 0.00 0.50 0.00 0.00 46.19 48.87 3hg1 s LEU 190 CO 0.04 -0.35 -0.08 -0.94 -1.32 0.00 0.00 176.35 173.70 3hg1 s SER 191 N -0.55 1.87 0.08 3.68 1.04 -1.26 -1.92 113.70 116.64 3hg1 s SER 191 Ca -0.03 -1.07 -0.14 0.00 0.48 0.00 0.00 55.95 55.19 3hg1 s SER 191 Cb -0.02 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.10 3hg1 s SER 191 CO 0.02 -0.37 0.33 -0.94 0.98 0.00 0.00 173.24 173.26 3hg1 s SER 192 N -3.22 -0.13 -0.01 7.02 1.04 -1.04 -0.64 113.70 116.72 3hg1 s SER 192 Ca 0.21 -0.29 0.05 0.00 0.48 0.00 0.00 55.95 56.39 3hg1 s SER 192 Cb 0.03 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 3hg1 s SER 192 CO 0.03 -0.72 -0.15 -0.13 0.98 0.00 0.00 173.24 173.26 3hg1 s ARG 193 N -3.17 1.22 -0.23 4.02 3.00 0.19 -1.57 118.95 122.40 3hg1 s ARG 193 Ca -0.01 -0.55 0.02 0.00 0.00 0.00 0.00 55.73 55.19 3hg1 s ARG 193 Cb 0.01 -1.18 0.05 0.00 0.00 0.00 0.00 34.95 33.83 3hg1 s ARG 193 CO -0.07 0.32 -0.10 -1.17 0.00 0.00 0.00 175.30 174.28 3hg1 s LEU 194 N -0.38 2.86 -0.16 2.53 2.96 -0.56 -1.84 118.68 124.09 3hg1 s LEU 194 Ca 0.06 -1.18 -0.04 0.00 -0.22 0.00 0.00 54.13 52.75 3hg1 s LEU 194 Cb -0.06 -1.37 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 3hg1 s LEU 194 CO -0.01 -0.18 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.21 3hg1 s ARG 195 N 1.26 3.68 -0.04 1.98 3.52 -0.93 -0.11 118.95 128.31 3hg1 s ARG 195 Ca -0.06 -0.50 -0.05 0.00 -0.13 0.00 0.00 55.73 54.99 3hg1 s ARG 195 Cb -0.18 -2.94 0.01 0.00 -1.56 0.00 0.00 34.95 30.28 3hg1 s ARG 195 CO -0.06 0.26 0.13 0.14 -0.81 0.00 0.00 175.30 174.95 3hg1 s VAL 196 N 0.32 0.02 0.00 7.11 -7.23 0.71 -4.76 120.40 116.57 3hg1 s VAL 196 Ca -0.03 -0.14 -0.18 0.00 -1.81 0.00 0.00 61.98 59.82 3hg1 s VAL 196 Cb -0.14 -0.23 -0.09 0.00 0.56 0.00 0.00 36.38 36.48 3hg1 s VAL 196 CO 0.03 -0.07 0.49 -1.54 -0.31 0.00 0.00 175.10 173.69 3hg1 n SER 197 N 2.73 -0.01 -0.28 4.85 3.41 -1.26 -0.79 113.62 122.27 3hg1 n SER 197 Ca -0.14 0.53 0.22 0.00 -0.26 0.00 0.00 58.87 59.23 3hg1 n SER 197 Cb 0.58 -0.42 0.54 0.00 -0.26 0.00 0.00 64.21 64.65 3hg1 n SER 197 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hg1 h ALA 198 N 1.37 2.33 0.00 7.33 0.00 -1.53 0.51 119.26 129.27 3hg1 h ALA 198 Ca -0.23 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3hg1 h ALA 198 Cb 0.66 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3hg1 h ALA 198 CO 0.30 -0.67 -0.12 1.79 0.00 0.00 0.00 179.25 180.56 3hg1 h THR 199 N 0.35 0.31 0.06 0.00 1.35 -1.84 -0.69 112.91 112.44 3hg1 h THR 199 Ca 0.53 -0.80 -0.27 0.00 -0.55 0.00 0.00 66.41 65.32 3hg1 h THR 199 Cb 1.43 1.61 -0.02 0.00 -1.73 0.00 0.00 68.15 69.45 3hg1 h THR 199 CO -0.20 0.11 -1.32 0.15 -0.25 0.00 0.00 175.52 174.01 3hg1 h PHE 200 N 0.00 0.25 -0.00 4.73 3.57 -0.28 -3.10 116.94 122.10 3hg1 h PHE 200 Ca -0.00 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.30 3hg1 h PHE 200 Cb 0.60 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.34 3hg1 h PHE 200 CO 0.00 1.18 -0.08 2.35 -2.23 0.00 0.00 178.31 179.53 3hg1 h TRP 201 N 0.04 0.09 -0.15 0.41 2.91 -1.25 -3.23 115.95 114.76 3hg1 h TRP 201 Ca -0.15 -0.05 0.04 0.00 1.13 0.00 0.00 58.89 59.87 3hg1 h TRP 201 Cb 1.93 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 30.56 3hg1 h TRP 201 CO 0.03 0.82 0.20 1.96 -1.03 0.00 0.00 178.44 180.42 3hg1 h GLN 202 N -0.66 0.00 -5.22 2.65 4.20 -1.17 -0.35 115.11 114.56 3hg1 h GLN 202 Ca -0.01 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.30 3hg1 h GLN 202 Cb 0.84 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 3hg1 h GLN 202 CO 0.02 0.00 1.31 -3.47 -0.67 0.00 0.00 178.83 176.02 3hg1 n ASP 203 N -3.65 2.85 -4.32 1.46 2.03 -1.17 -1.40 116.55 112.35 3hg1 n ASP 203 Ca 0.01 -2.68 -0.40 0.00 0.52 0.00 0.00 54.79 52.23 3hg1 n ASP 203 Cb 0.31 -1.58 0.01 0.00 -0.72 0.00 0.00 41.12 39.15 3hg1 n ASP 203 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3hg1 n PRO 204 N 7.98 0.12 0.00 -0.67 -0.04 0.35 -1.87 135.00 140.88 3hg1 n PRO 204 Ca 0.46 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 3hg1 n PRO 204 Cb 0.45 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 3hg1 n PRO 204 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3hg1 n ARG 205 N 1.16 0.00 -2.79 0.54 0.63 -1.25 -4.79 116.66 110.17 3hg1 n ARG 205 Ca 0.10 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.60 3hg1 n ARG 205 Cb 0.43 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.31 3hg1 n ARG 205 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 3hg1 s ASN 206 N -0.33 6.48 -0.15 6.15 0.01 -0.78 -4.80 114.94 121.51 3hg1 s ASN 206 Ca 0.00 0.05 -0.23 0.00 -0.71 0.00 0.00 52.86 51.98 3hg1 s ASN 206 Cb 0.00 -2.46 -0.03 0.00 0.41 0.00 0.00 41.25 39.17 3hg1 s ASN 206 CO 0.00 -1.13 0.70 -2.28 -1.51 0.00 0.00 177.10 172.87 3hg1 s HIS 207 N 3.94 3.45 0.04 2.20 5.65 -1.26 0.74 115.29 130.05 3hg1 s HIS 207 Ca 0.37 1.10 0.03 0.00 0.25 0.00 0.00 55.06 56.82 3hg1 s HIS 207 Cb -0.10 -2.85 -0.04 0.00 -1.18 0.00 0.00 32.58 28.41 3hg1 s HIS 207 CO 0.25 -0.11 -0.01 -0.06 -0.65 0.00 0.00 174.74 174.17 3hg1 s PHE 208 N 1.61 3.00 -0.29 3.88 0.08 0.32 -0.14 117.98 126.44 3hg1 s PHE 208 Ca 0.34 0.01 -0.12 0.00 0.12 0.00 0.00 56.93 57.27 3hg1 s PHE 208 Cb -0.16 -1.60 0.11 0.00 -0.57 0.00 0.00 43.02 40.80 3hg1 s PHE 208 CO 0.13 0.45 0.66 0.50 -0.10 0.00 0.00 175.22 176.86 3hg1 s ARG 209 N -1.88 0.62 0.08 0.44 3.52 -0.64 -0.30 118.95 120.80 3hg1 s ARG 209 Ca 0.22 1.34 -0.14 0.00 -0.13 0.00 0.00 55.73 57.02 3hg1 s ARG 209 Cb -0.12 0.53 -0.06 0.00 -1.56 0.00 0.00 34.95 33.74 3hg1 s ARG 209 CO 0.13 -0.18 0.48 0.00 -0.81 0.00 0.00 175.30 174.92 3hg1 s GLN 211 N -1.60 0.26 -0.15 0.00 0.74 0.22 -1.17 119.66 117.96 3hg1 s GLN 211 Ca 0.32 -0.13 -0.13 0.00 0.05 0.00 0.00 55.36 55.47 3hg1 s GLN 211 Cb -0.16 -1.75 -0.05 0.00 1.10 0.00 0.00 33.01 32.15 3hg1 s GLN 211 CO 0.17 -0.61 0.26 0.08 -0.55 0.00 0.00 175.29 174.65 3hg1 s VAL 212 N 2.05 5.32 -0.43 1.34 1.01 -0.91 0.89 120.40 129.66 3hg1 s VAL 212 Ca 0.02 0.49 -0.08 0.00 0.00 0.00 0.00 61.98 62.40 3hg1 s VAL 212 Cb -0.16 -3.59 0.09 0.00 0.00 0.00 0.00 36.38 32.72 3hg1 s VAL 212 CO -0.08 0.44 0.26 -1.58 0.00 0.00 0.00 175.10 174.14 3hg1 s GLN 213 N 0.15 2.51 -0.01 2.72 -0.44 0.77 -1.11 119.66 124.25 3hg1 s GLN 213 Ca 0.16 -1.56 -0.15 0.00 -2.50 0.00 0.00 55.36 51.31 3hg1 s GLN 213 Cb -0.13 -3.77 -0.06 0.00 -1.64 0.00 0.00 33.01 27.41 3hg1 s GLN 213 CO 0.04 -1.01 0.41 0.12 0.50 0.00 0.00 175.29 175.35 3hg1 s PHE 214 N 1.37 3.71 -0.21 1.67 5.36 0.34 -0.68 117.98 129.55 3hg1 s PHE 214 Ca 0.04 0.99 -0.02 0.00 -0.96 0.00 0.00 56.93 56.97 3hg1 s PHE 214 Cb -0.24 -2.31 0.00 0.00 -0.34 0.00 0.00 43.02 40.13 3hg1 s PHE 214 CO 0.01 0.60 -0.09 0.71 -1.46 0.00 0.00 175.22 174.99 3hg1 s TYR 215 N -0.93 2.91 0.00 10.12 1.51 -1.26 -1.00 117.35 128.70 3hg1 s TYR 215 Ca 0.24 -1.15 0.00 0.00 -1.01 0.00 0.00 57.07 55.14 3hg1 s TYR 215 Cb -0.17 -2.05 0.00 0.00 -0.11 0.00 0.00 41.96 39.63 3hg1 s TYR 215 CO 0.13 -0.63 0.00 0.41 -1.11 0.00 0.00 175.55 174.35 3hg1 n GLY 216 N 4.74 5.67 3.43 0.71 0.00 -1.26 -4.78 105.19 113.70 3hg1 n GLY 216 Ca -0.19 -0.89 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 3hg1 n GLY 216 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hg1 s LEU 217 N 0.00 0.30 0.08 0.99 1.43 -0.76 -4.30 118.68 116.41 3hg1 s LEU 217 Ca 0.00 1.41 0.08 0.00 -1.03 0.00 0.00 54.13 54.59 3hg1 s LEU 217 Cb 0.00 -3.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.01 3hg1 s LEU 217 CO 0.00 -4.59 -0.21 -0.55 0.23 0.00 0.00 176.35 171.23 3hg1 s SER 218 N -2.51 2.52 0.45 2.29 0.15 -1.26 -2.71 113.70 112.64 3hg1 s SER 218 Ca 0.69 -0.62 -0.22 0.00 0.70 0.00 0.00 55.95 56.50 3hg1 s SER 218 Cb -0.24 -0.17 -0.11 0.00 -1.71 0.00 0.00 66.02 63.79 3hg1 s SER 218 CO 0.65 0.10 0.69 1.21 1.20 0.00 0.00 173.24 177.09 3hg1 n GLU 219 N 1.40 0.79 -3.17 5.44 0.00 -1.26 -2.69 120.64 121.15 3hg1 n GLU 219 Ca -0.18 0.29 -0.05 0.00 0.00 0.00 0.00 57.16 57.22 3hg1 n GLU 219 Cb 0.53 -1.71 0.01 0.00 0.00 0.00 0.00 31.44 30.27 3hg1 n GLU 219 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3hg1 n ASN 220 N 0.84 -7.35 -3.24 4.31 2.85 -1.26 -5.01 115.26 106.40 3hg1 n ASN 220 Ca 0.11 -0.24 -0.03 0.00 -0.11 0.00 0.00 54.58 54.31 3hg1 n ASN 220 Cb 0.41 -4.88 -0.03 0.00 1.24 0.00 0.00 39.78 36.51 3hg1 n ASN 220 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3hg1 s ASP 221 N -3.04 -0.57 0.12 1.20 -1.08 -1.09 -5.14 116.67 107.06 3hg1 s ASP 221 Ca 0.05 0.09 -0.13 0.00 -0.52 0.00 0.00 52.55 52.03 3hg1 s ASP 221 Cb -0.01 1.58 -0.08 0.00 -1.46 0.00 0.00 42.92 42.95 3hg1 s ASP 221 CO 0.77 -0.31 0.21 1.21 0.52 0.00 0.00 175.17 177.57 3hg1 n GLU 222 N 5.39 0.00 -3.15 4.34 2.13 -1.26 -4.91 120.64 123.18 3hg1 n GLU 222 Ca 0.01 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.88 3hg1 n GLU 222 Cb 0.51 -0.50 -0.01 0.00 0.27 0.00 0.00 31.44 31.71 3hg1 n GLU 222 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 3hg1 s TRP 223 N -0.58 -1.38 -0.16 4.31 -0.11 -1.26 -5.05 118.94 114.71 3hg1 s TRP 223 Ca 0.32 1.37 0.20 0.00 1.22 0.00 0.00 56.10 59.21 3hg1 s TRP 223 Cb -0.44 0.45 -0.12 0.00 -1.50 0.00 0.00 33.47 31.86 3hg1 s TRP 223 CO 0.29 -0.76 0.81 2.41 -4.62 0.00 0.00 176.95 175.08 3hg1 n THR 224 N 5.43 0.73 -1.58 5.86 -1.04 -1.26 -4.97 114.28 117.45 3hg1 n THR 224 Ca -0.01 -0.60 -0.43 0.00 -2.04 0.00 0.00 64.05 60.96 3hg1 n THR 224 Cb 0.52 -0.41 -0.00 0.00 -1.82 0.00 0.00 70.33 68.61 3hg1 n THR 224 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hg1 n GLN 225 N -2.67 1.26 -0.13 -2.82 1.13 -1.26 -4.88 117.38 108.01 3hg1 n GLN 225 Ca -0.06 0.45 -0.05 0.00 -1.94 0.00 0.00 57.00 55.40 3hg1 n GLN 225 Cb 0.68 -1.86 0.04 0.00 0.11 0.00 0.00 30.24 29.21 3hg1 n GLN 225 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 3hg1 h ASP 226 N 1.72 0.05 -3.35 1.08 -0.00 -2.04 -3.44 116.42 110.44 3hg1 h ASP 226 Ca -0.41 0.06 -0.43 0.00 -0.00 0.00 0.00 57.03 56.25 3hg1 h ASP 226 Cb 1.35 0.08 0.20 0.00 -0.00 0.00 0.00 39.33 40.96 3hg1 h ASP 226 CO 0.58 0.06 0.04 0.00 -0.00 0.00 0.00 179.24 179.92 3hg1 s ARG 227 N -6.15 -0.88 0.62 0.28 1.70 -1.26 -4.98 118.95 108.28 3hg1 s ARG 227 Ca -0.13 0.66 -0.18 0.00 -0.47 0.00 0.00 55.73 55.61 3hg1 s ARG 227 Cb 0.14 -1.57 -0.02 0.00 -0.57 0.00 0.00 34.95 32.92 3hg1 s ARG 227 CO 0.72 -3.65 1.20 0.00 -1.08 0.00 0.00 175.30 172.49 3hg1 s ALA 228 N -2.58 2.48 -0.07 7.88 0.00 -1.26 -4.91 121.76 123.30 3hg1 s ALA 228 Ca 0.68 0.96 -0.29 0.00 0.00 0.00 0.00 51.96 53.30 3hg1 s ALA 228 Cb -0.23 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.39 3hg1 s ALA 228 CO 0.63 -1.28 1.84 0.21 0.00 0.00 0.00 175.76 177.16 3hg1 s LYS 229 N -3.47 3.97 -1.08 0.00 2.20 -1.26 -4.88 119.74 115.22 3hg1 s LYS 229 Ca 0.76 2.25 -0.19 0.00 -0.36 0.00 0.00 55.97 58.42 3hg1 s LYS 229 Cb -0.30 -4.11 -0.07 0.00 -1.51 0.00 0.00 37.83 31.84 3hg1 s LYS 229 CO 0.35 -1.12 2.00 -0.35 -0.36 0.00 0.00 175.35 175.87 3hg1 n PRO 230 N 7.59 2.07 -2.85 4.03 -0.04 -1.26 -4.94 135.00 139.60 3hg1 n PRO 230 Ca 0.20 -2.28 -0.20 0.00 -0.04 0.00 0.00 63.50 61.17 3hg1 n PRO 230 Cb 0.43 -3.19 0.02 0.00 -0.04 0.00 0.00 33.50 30.72 3hg1 n PRO 230 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3hg1 s VAL 231 N 5.20 3.10 0.40 0.52 -7.23 -1.26 -1.83 120.40 119.30 3hg1 s VAL 231 Ca 0.56 -0.73 -0.23 0.00 -1.81 0.00 0.00 61.98 59.76 3hg1 s VAL 231 Cb 0.11 -3.13 -0.13 0.00 0.56 0.00 0.00 36.38 33.80 3hg1 s VAL 231 CO 0.06 -0.08 0.64 0.41 -0.31 0.00 0.00 175.10 175.82 3hg1 n THR 232 N -2.14 1.88 -3.60 5.32 -1.04 -1.10 -4.52 114.28 109.08 3hg1 n THR 232 Ca 0.06 -0.50 0.01 0.00 -2.04 0.00 0.00 64.05 61.58 3hg1 n THR 232 Cb 0.59 -0.62 -0.01 0.00 -1.82 0.00 0.00 70.33 68.47 3hg1 n THR 232 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hg1 s GLN 233 N -1.59 0.06 -0.21 -2.82 -2.07 -0.17 -4.88 119.66 107.98 3hg1 s GLN 233 Ca 0.63 -0.03 -0.07 0.00 -1.82 0.00 0.00 55.36 54.07 3hg1 s GLN 233 Cb -0.63 0.02 -0.03 0.00 -1.09 0.00 0.00 33.01 31.28 3hg1 s GLN 233 CO 0.58 -0.03 0.05 0.42 -1.32 0.00 0.00 175.29 174.99 3hg1 s ILE 234 N -2.07 4.42 -0.25 3.63 1.09 -1.26 -0.50 121.20 126.26 3hg1 s ILE 234 Ca 0.13 -0.15 0.02 0.00 -1.10 0.00 0.00 60.65 59.55 3hg1 s ILE 234 Cb 0.03 -3.02 0.06 0.00 -1.06 0.00 0.00 42.46 38.47 3hg1 s ILE 234 CO -0.04 0.40 -0.07 -0.69 -0.10 0.00 0.00 174.94 174.44 3hg1 s VAL 235 N 0.99 1.82 0.40 2.92 1.01 -0.26 -4.98 120.40 122.29 3hg1 s VAL 235 Ca 0.03 -1.45 0.03 0.00 0.00 0.00 0.00 61.98 60.60 3hg1 s VAL 235 Cb -0.14 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 3hg1 s VAL 235 CO 0.03 -0.11 0.09 -0.94 0.00 0.00 0.00 175.10 174.17 3hg1 s SER 236 N 1.25 2.87 0.12 3.32 1.04 -1.26 -2.15 113.70 118.89 3hg1 s SER 236 Ca -0.06 -1.59 0.02 0.00 0.48 0.00 0.00 55.95 54.81 3hg1 s SER 236 Cb -0.19 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 3hg1 s SER 236 CO -0.06 -0.82 -0.06 0.00 0.98 0.00 0.00 173.24 173.28 3hg1 s ALA 237 N -3.18 1.15 0.01 5.32 0.00 -0.31 -4.83 121.76 119.92 3hg1 s ALA 237 Ca 0.25 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.78 3hg1 s ALA 237 Cb 0.04 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.38 3hg1 s ALA 237 CO 0.13 -0.22 0.00 0.39 0.00 0.00 0.00 175.76 176.06 3hg1 n GLU 238 N -0.11 1.46 0.00 0.00 1.02 -1.26 -0.94 120.64 120.80 3hg1 n GLU 238 Ca -0.11 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 3hg1 n GLU 238 Cb 0.61 0.05 0.00 0.00 -0.02 0.00 0.00 31.44 32.08 3hg1 n GLU 238 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hg1 n ALA 239 N -2.94 0.00 -2.56 0.62 0.00 0.59 -4.81 120.51 111.41 3hg1 n ALA 239 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.17 3hg1 n ALA 239 Cb 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.37 3hg1 n ALA 239 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3hg1 s TRP 240 N -2.00 2.44 -0.31 0.00 0.52 -1.26 0.12 118.94 118.45 3hg1 s TRP 240 Ca 0.00 -0.54 -0.28 0.00 0.02 0.00 0.00 56.10 55.30 3hg1 s TRP 240 Cb 0.00 -1.50 -0.05 0.00 -1.15 0.00 0.00 33.47 30.78 3hg1 s TRP 240 CO 0.00 0.54 2.15 0.20 0.02 0.00 0.00 176.95 179.86 3hg1 s GLY 241 N -3.65 0.39 -0.28 0.98 0.00 0.23 -4.86 107.32 100.13 3hg1 s GLY 241 Ca 0.33 0.48 -0.09 0.00 0.00 0.00 0.00 44.72 45.44 3hg1 s GLY 241 CO 0.17 3.74 0.13 -1.60 0.00 0.00 0.00 173.10 175.54 3hg1 s ARG 242 N 6.57 3.55 0.81 2.90 3.52 -0.14 -0.49 118.95 135.66 3hg1 s ARG 242 Ca 0.94 -0.57 -0.14 0.00 -0.13 0.00 0.00 55.73 55.84 3hg1 s ARG 242 Cb -0.27 -3.49 0.20 0.00 -1.56 0.00 0.00 34.95 29.83 3hg1 s ARG 242 CO 0.33 -0.30 0.66 0.00 -0.81 0.00 0.00 175.30 175.18 3hg1 n ALA 243 N 4.97 -2.39 0.00 6.12 0.00 -0.49 -3.51 120.51 125.21 3hg1 n ALA 243 Ca -0.15 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.28 3hg1 n ALA 243 Cb 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3hg1 n ALA 243 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10