#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lo5 n ARG 4 N 0.00 -1.74 -2.06 -2.82 3.00 -1.26 -5.00 116.66 106.78 1lo5 n ARG 4 Ca 0.00 -0.49 -0.32 0.00 -0.01 0.00 0.00 57.85 57.03 1lo5 n ARG 4 Cb 0.00 -1.76 -0.00 0.00 0.00 0.00 0.00 32.46 30.70 1lo5 n ARG 4 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 1lo5 s PRO 5 N -3.56 3.58 0.06 5.56 0.02 -1.26 -5.07 135.00 134.32 1lo5 s PRO 5 Ca 0.58 0.94 0.09 0.00 0.02 0.00 0.00 61.00 62.62 1lo5 s PRO 5 Cb -0.14 -2.08 -0.03 0.00 0.02 0.00 0.00 34.50 32.28 1lo5 s PRO 5 CO 0.66 -0.58 -0.24 1.03 -0.33 0.00 0.00 177.00 177.54 1lo5 s ARG 6 N -4.54 1.55 -0.04 5.54 1.81 -1.26 -5.13 118.95 116.88 1lo5 s ARG 6 Ca 0.58 -1.07 0.04 0.00 -1.72 0.00 0.00 55.73 53.57 1lo5 s ARG 6 Cb -0.12 -1.74 -0.00 0.00 -0.45 0.00 0.00 34.95 32.64 1lo5 s ARG 6 CO 0.42 0.44 -0.16 -0.06 -0.68 0.00 0.00 175.30 175.26 1lo5 s PHE 7 N -0.85 1.63 0.07 -0.53 0.08 -1.26 -5.09 117.98 112.04 1lo5 s PHE 7 Ca 0.10 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.71 1lo5 s PHE 7 Cb -0.10 -1.11 -0.03 0.00 -0.57 0.00 0.00 43.02 41.22 1lo5 s PHE 7 CO 0.02 -0.16 -0.08 -1.17 -0.10 0.00 0.00 175.22 173.73 1lo5 s LEU 8 N 0.07 2.38 -0.05 -0.37 2.96 -1.26 -5.02 118.68 117.38 1lo5 s LEU 8 Ca -0.04 -0.76 -0.01 0.00 -0.22 0.00 0.00 54.13 53.10 1lo5 s LEU 8 Cb -0.11 -0.17 0.03 0.00 0.50 0.00 0.00 46.19 46.43 1lo5 s LEU 8 CO 0.02 -0.30 0.01 0.86 -1.32 0.00 0.00 176.35 175.62 1lo5 s TRP 9 N -2.37 0.48 -0.00 5.38 -0.11 -1.26 -1.28 118.94 119.78 1lo5 s TRP 9 Ca 0.01 -0.06 0.07 0.00 1.22 0.00 0.00 56.10 57.35 1lo5 s TRP 9 Cb -0.03 -0.64 -0.03 0.00 -1.50 0.00 0.00 33.47 31.28 1lo5 s TRP 9 CO -0.01 -0.24 -0.23 -0.65 -4.62 0.00 0.00 176.95 171.20 1lo5 s GLN 10 N 1.67 2.11 -0.04 5.86 -0.21 -0.55 -4.99 119.66 123.52 1lo5 s GLN 10 Ca -0.00 -0.93 0.01 0.00 0.02 0.00 0.00 55.36 54.45 1lo5 s GLN 10 Cb -0.13 -2.12 0.02 0.00 1.00 0.00 0.00 33.01 31.79 1lo5 s GLN 10 CO -0.03 0.56 -0.02 -1.17 -2.12 0.00 0.00 175.29 172.50 1lo5 s LEU 11 N -0.91 1.22 -0.02 2.90 2.96 -1.26 -2.12 118.68 121.45 1lo5 s LEU 11 Ca 0.11 -0.08 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 1lo5 s LEU 11 Cb -0.10 -0.35 0.00 0.00 0.50 0.00 0.00 46.19 46.24 1lo5 s LEU 11 CO 0.01 -0.08 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.32 1lo5 s LYS 12 N 1.01 1.05 -0.28 1.98 1.02 -0.81 -5.03 119.74 118.67 1lo5 s LYS 12 Ca -0.10 -0.36 0.01 0.00 0.02 0.00 0.00 55.97 55.54 1lo5 s LYS 12 Cb -0.14 -0.97 0.06 0.00 -0.52 0.00 0.00 37.83 36.26 1lo5 s LYS 12 CO -0.01 0.15 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.46 1lo5 s PHE 13 N 0.10 3.29 -0.12 3.18 0.40 -1.26 -0.43 117.98 123.13 1lo5 s PHE 13 Ca -0.02 -2.13 -0.04 0.00 -0.60 0.00 0.00 56.93 54.14 1lo5 s PHE 13 Cb -0.08 -2.06 -0.03 0.00 0.51 0.00 0.00 43.02 41.35 1lo5 s PHE 13 CO 0.00 -0.85 0.02 -1.21 0.70 0.00 0.00 175.22 173.89 1lo5 s GLU 14 N 1.17 3.36 -0.39 0.44 2.02 -1.22 -4.96 118.70 119.12 1lo5 s GLU 14 Ca -0.06 -0.38 0.03 0.00 0.02 0.00 0.00 54.97 54.57 1lo5 s GLU 14 Cb -0.20 -2.95 0.11 0.00 0.10 0.00 0.00 34.13 31.19 1lo5 s GLU 14 CO -0.03 0.54 0.13 0.00 0.02 0.00 0.00 175.26 175.92 1lo5 s HIS 16 N 0.70 3.00 -0.40 0.00 3.76 -0.88 -4.93 115.29 116.55 1lo5 s HIS 16 Ca 0.12 0.22 -0.15 0.00 -0.15 0.00 0.00 55.06 55.10 1lo5 s HIS 16 Cb -0.21 -3.64 0.01 0.00 1.11 0.00 0.00 32.58 29.86 1lo5 s HIS 16 CO -0.06 -0.96 0.30 -0.06 -0.85 0.00 0.00 174.74 173.11 1lo5 s PHE 17 N 3.28 3.23 -0.19 1.40 0.08 -1.26 -1.92 117.98 122.60 1lo5 s PHE 17 Ca 0.30 -0.51 -0.05 0.00 0.12 0.00 0.00 56.93 56.79 1lo5 s PHE 17 Cb -0.12 -2.59 -0.03 0.00 -0.57 0.00 0.00 43.02 39.71 1lo5 s PHE 17 CO 0.22 -0.56 -0.01 -0.06 -0.10 0.00 0.00 175.22 174.71 1lo5 s PHE 18 N 1.72 3.04 -0.99 0.36 2.99 0.05 -4.55 117.98 120.60 1lo5 s PHE 18 Ca 0.06 -0.41 -0.05 0.00 0.00 0.00 0.00 56.93 56.53 1lo5 s PHE 18 Cb -0.19 -2.05 0.01 0.00 0.00 0.00 0.00 43.02 40.79 1lo5 s PHE 18 CO 0.10 -0.18 0.86 -1.71 -0.00 0.00 0.00 175.22 174.29 1lo5 n ASN 19 N 4.04 -4.59 0.00 1.36 5.15 -1.26 -2.29 115.26 117.67 1lo5 n ASN 19 Ca -0.17 -0.41 0.00 0.00 -0.60 0.00 0.00 54.58 53.39 1lo5 n ASN 19 Cb 0.52 -3.89 0.00 0.00 -0.53 0.00 0.00 39.78 35.88 1lo5 n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1lo5 n GLY 20 N -1.52 2.00 0.00 8.20 0.00 -1.26 -3.31 105.19 109.30 1lo5 n GLY 20 Ca -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1lo5 n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1lo5 n THR 21 N 0.00 0.00 0.32 2.61 -1.04 -1.26 -4.94 114.28 109.97 1lo5 n THR 21 Ca 0.00 0.00 0.21 0.00 -2.04 0.00 0.00 64.05 62.22 1lo5 n THR 21 Cb 0.00 0.00 1.05 0.00 -1.82 0.00 0.00 70.33 69.56 1lo5 n THR 21 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1lo5 h GLU 22 N 0.00 0.00 -3.16 -2.82 5.08 -1.66 -3.40 114.58 108.63 1lo5 h GLU 22 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1lo5 h GLU 22 Cb 0.03 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 28.92 1lo5 h GLU 22 CO 0.00 0.01 -0.65 0.50 -1.00 0.00 0.00 179.01 177.86 1lo5 s ARG 23 N -4.03 0.02 0.09 2.33 3.52 -0.97 -5.05 118.95 114.87 1lo5 s ARG 23 Ca -0.03 0.50 0.07 0.00 -0.13 0.00 0.00 55.73 56.13 1lo5 s ARG 23 Cb 0.12 -0.30 -0.03 0.00 -1.56 0.00 0.00 34.95 33.18 1lo5 s ARG 23 CO 0.46 -0.29 -0.17 0.08 -0.81 0.00 0.00 175.30 174.57 1lo5 s VAL 24 N 2.09 1.40 -0.22 7.11 1.01 -1.26 -0.77 120.40 129.76 1lo5 s VAL 24 Ca 0.01 -1.46 -0.03 0.00 0.00 0.00 0.00 61.98 60.50 1lo5 s VAL 24 Cb -0.12 -1.33 0.10 0.00 0.00 0.00 0.00 36.38 35.03 1lo5 s VAL 24 CO -0.05 -0.18 0.23 -0.60 0.00 0.00 0.00 175.10 174.50 1lo5 s ARG 25 N -1.92 0.21 -0.00 2.72 3.52 -0.81 -4.97 118.95 117.70 1lo5 s ARG 25 Ca 0.03 0.12 -0.24 0.00 -0.13 0.00 0.00 55.73 55.51 1lo5 s ARG 25 Cb -0.09 -1.13 -0.05 0.00 -1.56 0.00 0.00 34.95 32.12 1lo5 s ARG 25 CO 0.03 -0.73 0.73 -1.17 -0.81 0.00 0.00 175.30 173.35 1lo5 s LEU 26 N 2.32 4.39 -0.50 -0.88 2.96 -1.26 -2.08 118.68 123.64 1lo5 s LEU 26 Ca 0.07 1.32 0.05 0.00 -0.22 0.00 0.00 54.13 55.36 1lo5 s LEU 26 Cb -0.15 -3.15 0.20 0.00 0.50 0.00 0.00 46.19 43.58 1lo5 s LEU 26 CO -0.16 -0.03 0.46 -0.11 -1.32 0.00 0.00 176.35 175.19 1lo5 n LEU 27 N 3.18 0.94 -4.67 -0.68 7.94 0.50 -1.00 117.00 123.21 1lo5 n LEU 27 Ca -0.02 -4.75 -0.42 0.00 -1.11 0.00 0.00 56.01 49.70 1lo5 n LEU 27 Cb 0.51 0.13 -0.03 0.00 0.53 0.00 0.00 43.42 44.56 1lo5 n LEU 27 CO 0.47 1.90 1.53 -0.70 -1.11 0.00 0.00 177.39 179.49 1lo5 s GLU 28 N -0.85 4.15 -0.10 1.96 2.12 -0.37 -3.40 118.70 122.21 1lo5 s GLU 28 Ca 0.32 2.54 0.03 0.00 0.36 0.00 0.00 54.97 58.22 1lo5 s GLU 28 Cb 0.06 -4.00 0.01 0.00 0.26 0.00 0.00 34.13 30.46 1lo5 s GLU 28 CO -0.15 -0.91 -0.19 1.03 -0.54 0.00 0.00 175.26 174.50 1lo5 s ARG 29 N 3.99 2.56 -0.24 4.30 0.52 0.42 -0.29 118.95 130.21 1lo5 s ARG 29 Ca 0.84 -0.70 -0.09 0.00 -0.52 0.00 0.00 55.73 55.27 1lo5 s ARG 29 Cb -0.42 -2.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 1lo5 s ARG 29 CO 0.39 0.05 0.11 0.00 0.02 0.00 0.00 175.30 175.87 1lo5 s ILE 31 N 1.29 1.24 -0.20 0.00 1.09 -0.90 0.35 121.20 124.07 1lo5 s ILE 31 Ca 0.06 -0.59 -0.03 0.00 -1.10 0.00 0.00 60.65 58.99 1lo5 s ILE 31 Cb -0.14 -1.09 -0.01 0.00 -1.06 0.00 0.00 42.46 40.15 1lo5 s ILE 31 CO 0.05 0.37 -0.06 -0.47 -0.10 0.00 0.00 174.94 174.73 1lo5 s TYR 32 N 0.28 2.94 0.00 3.97 5.04 0.32 -1.48 117.35 128.42 1lo5 s TYR 32 Ca -0.08 -0.84 0.00 0.00 -2.44 0.00 0.00 57.07 53.71 1lo5 s TYR 32 Cb -0.13 -2.05 0.00 0.00 0.35 0.00 0.00 41.96 40.13 1lo5 s TYR 32 CO 0.03 -0.45 0.00 0.09 -1.34 0.00 0.00 175.55 173.87 1lo5 n ASN 33 N 4.50 0.00 -0.08 4.32 3.02 -0.40 -1.27 115.26 125.34 1lo5 n ASN 33 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1lo5 n ASN 33 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1lo5 n ASN 33 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1lo5 n GLN 34 N 0.00 0.00 -3.87 3.52 7.27 -1.26 -4.87 117.38 118.17 1lo5 n GLN 34 Ca 0.00 -0.48 -0.35 0.00 0.07 0.00 0.00 57.00 56.24 1lo5 n GLN 34 Cb 0.00 -0.41 -0.14 0.00 2.41 0.00 0.00 30.24 32.10 1lo5 n GLN 34 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1lo5 s GLU 35 N 0.00 3.35 -0.16 3.69 2.02 -0.40 -5.07 118.70 122.14 1lo5 s GLU 35 Ca 0.00 -0.65 -0.29 0.00 0.02 0.00 0.00 54.97 54.04 1lo5 s GLU 35 Cb 0.00 -3.10 -0.03 0.00 0.10 0.00 0.00 34.13 31.10 1lo5 s GLU 35 CO 0.00 -0.24 1.55 -2.00 0.02 0.00 0.00 175.26 174.60 1lo5 s GLU 36 N 1.49 4.01 -0.13 1.61 2.12 -1.26 -0.52 118.70 126.02 1lo5 s GLU 36 Ca 0.05 1.83 0.11 0.00 0.36 0.00 0.00 54.97 57.32 1lo5 s GLU 36 Cb -0.15 -3.96 -0.24 0.00 0.26 0.00 0.00 34.13 30.04 1lo5 s GLU 36 CO -0.02 -1.03 0.31 -1.13 -0.54 0.00 0.00 175.26 172.86 1lo5 n SER 37 N 7.64 0.81 -3.67 -1.70 3.41 0.15 -4.61 113.62 115.66 1lo5 n SER 37 Ca 0.17 0.18 -0.14 0.00 -0.26 0.00 0.00 58.87 58.82 1lo5 n SER 37 Cb 0.44 0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 64.51 1lo5 n SER 37 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1lo5 s VAL 38 N -2.54 0.01 0.06 -3.33 0.11 -1.17 -2.51 120.40 111.03 1lo5 s VAL 38 Ca -0.12 -0.05 -0.13 0.00 -2.93 0.00 0.00 61.98 58.75 1lo5 s VAL 38 Cb 0.07 -0.79 0.02 0.00 -1.53 0.00 0.00 36.38 34.15 1lo5 s VAL 38 CO 0.80 -0.03 0.30 0.00 -3.33 0.00 0.00 175.10 172.83 1lo5 s ARG 39 N -0.09 0.85 -0.01 1.54 1.70 -1.05 0.42 118.95 122.32 1lo5 s ARG 39 Ca -0.03 -0.61 0.05 0.00 -0.47 0.00 0.00 55.73 54.67 1lo5 s ARG 39 Cb -0.03 0.36 -0.03 0.00 -0.57 0.00 0.00 34.95 34.68 1lo5 s ARG 39 CO 0.02 -0.28 -0.14 0.12 -1.08 0.00 0.00 175.30 173.94 1lo5 s PHE 40 N -2.93 2.69 -0.07 5.89 5.36 0.60 -1.72 117.98 127.80 1lo5 s PHE 40 Ca -0.02 -0.17 -0.02 0.00 -0.96 0.00 0.00 56.93 55.76 1lo5 s PHE 40 Cb 0.00 -1.57 0.04 0.00 -0.34 0.00 0.00 43.02 41.15 1lo5 s PHE 40 CO -0.06 0.25 0.05 0.34 -1.46 0.00 0.00 175.22 174.34 1lo5 s ASP 41 N -1.13 1.49 0.49 6.13 -1.08 -1.25 -1.24 116.67 120.08 1lo5 s ASP 41 Ca 0.14 -0.10 0.29 0.00 -0.52 0.00 0.00 52.55 52.37 1lo5 s ASP 41 Cb -0.11 -0.24 1.38 0.00 -1.46 0.00 0.00 42.92 42.49 1lo5 s ASP 41 CO 0.04 -0.25 1.80 0.77 0.52 0.00 0.00 175.17 178.04 1lo5 h SER 42 N 8.40 0.17 0.44 -0.34 4.64 -1.42 1.00 113.55 126.44 1lo5 h SER 42 Ca -0.14 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1lo5 h SER 42 Cb 1.13 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1lo5 h SER 42 CO 0.20 0.03 0.00 0.47 -0.87 0.00 0.00 176.83 176.66 1lo5 n ASP 43 N -4.36 0.00 0.00 4.97 9.92 -1.26 -3.17 116.55 122.65 1lo5 n ASP 43 Ca 0.25 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 1lo5 n ASP 43 Cb 1.08 -0.30 0.00 0.00 -0.64 0.00 0.00 41.12 41.26 1lo5 n ASP 43 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1lo5 n VAL 44 N -1.30 0.00 0.00 2.53 0.31 0.26 -5.05 118.33 115.08 1lo5 n VAL 44 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1lo5 n VAL 44 Cb 0.18 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 1lo5 n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1lo5 n GLY 45 N 2.19 3.00 3.24 2.92 0.00 0.27 -4.99 105.19 111.83 1lo5 n GLY 45 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1lo5 n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1lo5 s GLU 46 N -0.04 1.30 0.54 1.61 -1.05 -1.26 -4.86 118.70 114.94 1lo5 s GLU 46 Ca 0.00 -1.70 -0.17 0.00 -0.15 0.00 0.00 54.97 52.95 1lo5 s GLU 46 Cb 0.00 0.11 -0.06 0.00 -0.44 0.00 0.00 34.13 33.74 1lo5 s GLU 46 CO 0.00 -0.38 1.03 0.71 0.95 0.00 0.00 175.26 177.58 1lo5 s TYR 47 N -4.00 3.09 -0.18 4.83 1.51 -1.26 -3.91 117.35 117.43 1lo5 s TYR 47 Ca 0.39 1.53 -0.14 0.00 -1.01 0.00 0.00 57.07 57.84 1lo5 s TYR 47 Cb 0.07 -2.98 0.05 0.00 -0.11 0.00 0.00 41.96 39.00 1lo5 s TYR 47 CO 0.13 -0.85 0.46 1.03 -1.11 0.00 0.00 175.55 175.22 1lo5 s ARG 48 N -3.80 0.50 0.78 -0.62 0.52 -0.70 -4.89 118.95 110.75 1lo5 s ARG 48 Ca 0.64 0.75 -0.11 0.00 -0.52 0.00 0.00 55.73 56.49 1lo5 s ARG 48 Cb -0.15 0.15 0.06 0.00 0.52 0.00 0.00 34.95 35.53 1lo5 s ARG 48 CO 0.30 -0.11 1.08 0.00 0.02 0.00 0.00 175.30 176.60 1lo5 s ALA 49 N 0.80 2.27 0.00 2.13 0.00 -1.26 -2.52 121.76 123.17 1lo5 s ALA 49 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1lo5 s ALA 49 Cb -0.05 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1lo5 s ALA 49 CO -0.06 -1.69 0.13 1.33 0.00 0.00 0.00 175.76 175.47 1lo5 n VAL 50 N -3.44 0.00 -3.56 0.00 0.24 -1.04 -4.91 118.33 105.62 1lo5 n VAL 50 Ca 0.08 -0.13 -0.15 0.00 -2.04 0.00 0.00 64.34 62.10 1lo5 n VAL 50 Cb 0.54 1.73 -0.06 0.00 -1.47 0.00 0.00 33.84 34.59 1lo5 n VAL 50 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1lo5 s THR 51 N -0.00 0.00 0.31 3.34 -4.23 -1.26 -4.99 115.64 108.81 1lo5 s THR 51 Ca 0.00 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.71 1lo5 s THR 51 Cb 0.00 -1.00 0.33 0.00 1.34 0.00 0.00 72.50 73.17 1lo5 s THR 51 CO 0.00 0.00 1.22 -0.62 -0.54 0.00 0.00 174.62 174.68 1lo5 n GLU 52 N 1.18 -0.04 0.22 3.99 -0.58 -1.26 0.11 120.64 124.26 1lo5 n GLU 52 Ca -0.16 1.03 0.06 0.00 -0.42 0.00 0.00 57.16 57.67 1lo5 n GLU 52 Cb 0.57 -1.92 0.52 0.00 -0.57 0.00 0.00 31.44 30.03 1lo5 n GLU 52 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1lo5 h LEU 53 N 0.00 0.00 -1.06 -4.62 3.38 -1.97 -2.60 115.31 108.44 1lo5 h LEU 53 Ca 0.67 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.55 1lo5 h LEU 53 Cb 1.96 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 1lo5 h LEU 53 CO -0.49 0.20 -0.38 1.23 0.09 0.00 0.00 178.44 179.09 1lo5 h GLY 54 N 0.68 0.17 -0.13 0.83 0.00 0.69 -3.38 103.07 101.94 1lo5 h GLY 54 Ca -0.00 -0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.18 1lo5 h GLY 54 CO 0.03 0.14 -0.08 0.54 0.00 0.00 0.00 176.54 177.17 1lo5 n ARG 55 N -4.06 -0.06 -0.26 4.80 1.74 -0.98 -1.18 116.66 116.67 1lo5 n ARG 55 Ca -0.01 0.66 -0.07 0.00 -0.77 0.00 0.00 57.85 57.66 1lo5 n ARG 55 Cb 0.45 -0.99 -0.02 0.00 -1.02 0.00 0.00 32.46 30.88 1lo5 n ARG 55 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1lo5 h PRO 56 N 0.00 -0.15 -0.20 5.56 0.11 -1.81 -2.58 132.00 132.93 1lo5 h PRO 56 Ca 0.02 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.17 1lo5 h PRO 56 Cb 0.05 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.15 1lo5 h PRO 56 CO -0.12 -0.10 -0.34 -0.44 -0.21 0.00 0.00 178.00 176.79 1lo5 h ASP 57 N -0.15 -1.11 -0.12 -2.05 3.32 -1.41 -1.89 116.42 113.01 1lo5 h ASP 57 Ca 0.22 0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.42 1lo5 h ASP 57 Cb 0.55 0.45 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 1lo5 h ASP 57 CO -0.77 -0.26 -0.19 0.00 -1.72 0.00 0.00 179.24 176.30 1lo5 h ALA 58 N -0.59 -0.50 -1.03 3.45 0.00 -1.11 0.07 119.26 119.55 1lo5 h ALA 58 Ca 0.04 -0.01 0.31 0.00 0.00 0.00 0.00 54.91 55.25 1lo5 h ALA 58 Cb 0.38 0.82 -0.14 0.00 0.00 0.00 0.00 17.79 18.85 1lo5 h ALA 58 CO -0.34 -0.58 0.60 1.49 0.00 0.00 0.00 179.25 180.42 1lo5 h GLU 59 N -0.16 0.36 0.00 0.00 4.57 -1.47 -2.79 114.58 115.10 1lo5 h GLU 59 Ca 0.02 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1lo5 h GLU 59 Cb 0.22 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1lo5 h GLU 59 CO -0.19 0.24 0.00 0.98 -1.18 0.00 0.00 179.01 178.85 1lo5 n TYR 60 N -4.95 0.00 -0.13 0.92 4.19 -0.06 -3.13 117.16 114.01 1lo5 n TYR 60 Ca 0.31 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.49 1lo5 n TYR 60 Cb 0.95 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 40.77 1lo5 n TYR 60 CO 0.00 0.00 0.00 0.91 0.91 0.00 0.00 176.86 178.68 1lo5 n TRP 61 N 0.00 -0.09 0.24 2.98 8.01 -0.80 0.30 117.44 128.08 1lo5 n TRP 61 Ca 0.00 0.38 0.09 0.00 -1.31 0.00 0.00 57.50 56.66 1lo5 n TRP 61 Cb 0.00 -0.55 0.50 0.00 -2.01 0.00 0.00 31.31 29.24 1lo5 n TRP 61 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 1lo5 h ASN 62 N 0.00 0.00 -0.21 -0.99 2.35 -1.62 0.24 115.58 115.35 1lo5 h ASN 62 Ca 0.07 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 1lo5 h ASN 62 Cb 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1lo5 h ASN 62 CO -0.29 0.00 -0.05 -1.28 -1.65 0.00 0.00 177.43 174.16 1lo5 h SER 63 N 0.00 0.41 -1.01 5.81 0.87 0.45 -3.36 113.55 116.72 1lo5 h SER 63 Ca 0.00 -0.36 -0.54 0.00 -1.23 0.00 0.00 61.79 59.65 1lo5 h SER 63 Cb 0.75 -0.11 -0.09 0.00 -0.44 0.00 0.00 62.40 62.51 1lo5 h SER 63 CO 0.00 0.68 1.39 -1.10 -0.53 0.00 0.00 176.83 177.27 1lo5 s GLN 64 N -4.77 3.41 0.53 2.24 1.11 0.85 -4.74 119.66 118.29 1lo5 s GLN 64 Ca -0.14 -1.02 0.32 0.00 0.01 0.00 0.00 55.36 54.54 1lo5 s GLN 64 Cb 0.07 -5.31 1.76 0.00 -1.01 0.00 0.00 33.01 28.51 1lo5 s GLN 64 CO 0.75 -2.45 1.98 1.57 0.01 0.00 0.00 175.29 177.15 1lo5 h LYS 65 N 9.94 0.00 -0.14 2.91 5.09 -1.80 -0.06 116.57 132.52 1lo5 h LYS 65 Ca 0.20 0.00 -0.15 0.00 0.09 0.00 0.00 60.65 60.78 1lo5 h LYS 65 Cb 1.00 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.34 1lo5 h LYS 65 CO 1.39 0.00 -0.51 0.22 -2.09 0.00 0.00 179.45 178.46 1lo5 h ASP 66 N 0.00 0.69 -0.15 7.07 3.58 -1.92 -1.55 116.42 124.15 1lo5 h ASP 66 Ca 0.00 -0.61 -0.22 0.00 0.42 0.00 0.00 57.03 56.62 1lo5 h ASP 66 Cb 0.16 -0.20 0.01 0.00 1.72 0.00 0.00 39.33 41.02 1lo5 h ASP 66 CO 0.00 1.19 -0.75 0.25 -2.88 0.00 0.00 179.24 177.05 1lo5 h LEU 67 N 0.24 0.92 -0.23 2.28 6.46 -1.39 -3.20 115.31 120.38 1lo5 h LEU 67 Ca -0.02 -0.63 0.02 0.00 -0.12 0.00 0.00 57.88 57.12 1lo5 h LEU 67 Cb 1.14 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.78 1lo5 h LEU 67 CO 0.11 1.40 0.11 0.25 -0.62 0.00 0.00 178.44 179.68 1lo5 h LEU 68 N 0.50 0.16 -0.90 2.25 7.12 -1.26 -1.05 115.31 122.13 1lo5 h LEU 68 Ca -0.05 0.01 0.17 0.00 0.13 0.00 0.00 57.88 58.15 1lo5 h LEU 68 Cb 1.38 -0.02 -0.10 0.00 -0.53 0.00 0.00 40.66 41.39 1lo5 h LEU 68 CO 0.15 0.12 0.47 -0.08 -0.13 0.00 0.00 178.44 178.98 1lo5 h GLU 69 N 0.23 0.58 0.32 1.25 4.57 -1.31 -1.62 114.58 118.61 1lo5 h GLU 69 Ca 0.09 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1lo5 h GLU 69 Cb 0.03 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1lo5 h GLU 69 CO -0.07 0.39 -0.15 0.37 -1.18 0.00 0.00 179.01 178.36 1lo5 h GLN 70 N 0.60 -0.41 0.00 1.92 -0.00 -1.35 -2.80 115.11 113.08 1lo5 h GLN 70 Ca 0.51 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 59.19 1lo5 h GLN 70 Cb 0.81 0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.39 1lo5 h GLN 70 CO -0.41 -0.28 0.35 0.54 0.00 0.00 0.00 178.83 179.04 1lo5 n ARG 71 N -3.48 0.00 -0.08 1.69 5.12 -0.47 0.79 116.66 120.22 1lo5 n ARG 71 Ca -0.05 0.13 -0.10 0.00 -1.93 0.00 0.00 57.85 55.90 1lo5 n ARG 71 Cb 0.17 -1.85 -0.15 0.00 -1.16 0.00 0.00 32.46 29.47 1lo5 n ARG 71 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1lo5 n ARG 72 N -1.12 0.68 0.15 5.56 1.74 -0.66 -4.24 116.66 118.76 1lo5 n ARG 72 Ca 0.00 0.07 0.07 0.00 -0.77 0.00 0.00 57.85 57.22 1lo5 n ARG 72 Cb 0.35 -1.58 0.06 0.00 -1.02 0.00 0.00 32.46 30.27 1lo5 n ARG 72 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lo5 h ALA 73 N 0.92 0.75 0.00 7.54 0.00 0.64 -3.33 119.26 125.78 1lo5 h ALA 73 Ca -0.50 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1lo5 h ALA 73 Cb 2.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.97 1lo5 h ALA 73 CO 0.03 0.35 0.23 0.00 0.00 0.00 0.00 179.25 179.86 1lo5 n ALA 74 N -2.20 0.38 0.18 0.00 0.00 -0.62 0.10 120.51 118.35 1lo5 n ALA 74 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.51 1lo5 n ALA 74 Cb 0.65 -0.33 0.18 0.00 0.00 0.00 0.00 19.45 19.96 1lo5 n ALA 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1lo5 h VAL 75 N 0.00 0.61 0.00 0.00 2.07 -1.86 -2.19 116.25 114.88 1lo5 h VAL 75 Ca 0.00 -1.66 -0.26 0.00 0.82 0.00 0.00 66.70 65.60 1lo5 h VAL 75 Cb 0.45 2.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.32 1lo5 h VAL 75 CO 0.00 0.32 -2.07 0.47 0.02 0.00 0.00 177.57 176.31 1lo5 n ASP 76 N -3.25 1.02 -0.00 0.57 10.43 0.29 -1.50 116.55 124.11 1lo5 n ASP 76 Ca 0.02 0.00 -0.01 0.00 2.57 0.00 0.00 54.79 57.36 1lo5 n ASP 76 Cb 0.61 1.00 -0.11 0.00 1.84 0.00 0.00 41.12 44.45 1lo5 n ASP 76 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1lo5 n THR 77 N -2.54 1.12 0.00 -3.53 -2.24 -1.20 -3.13 114.28 102.76 1lo5 n THR 77 Ca -0.24 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 1lo5 n THR 77 Cb 0.96 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1lo5 n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lo5 n TYR 78 N -2.80 0.00 -0.19 4.78 9.36 -0.91 -4.30 117.16 123.11 1lo5 n TYR 78 Ca -0.14 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.00 1lo5 n TYR 78 Cb 0.89 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.54 1lo5 n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1lo5 h ARG 80 N -0.09 -0.38 -0.27 0.00 2.47 -1.47 -1.37 114.38 113.27 1lo5 h ARG 80 Ca 0.08 0.03 0.06 0.00 -1.26 0.00 0.00 59.98 58.88 1lo5 h ARG 80 Cb 0.29 0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.64 1lo5 h ARG 80 CO -0.50 -0.25 -0.13 1.25 0.56 0.00 0.00 179.97 180.90 1lo5 h HIS 81 N -0.39 -0.32 -0.41 3.04 2.76 -1.35 -2.21 115.15 116.26 1lo5 h HIS 81 Ca -0.03 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1lo5 h HIS 81 Cb 0.32 0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 1lo5 h HIS 81 CO -0.08 -0.20 0.27 -0.91 -1.30 0.00 0.00 177.93 175.71 1lo5 h ASN 82 N -0.10 0.46 -0.84 3.26 2.35 0.05 -2.89 115.58 117.87 1lo5 h ASN 82 Ca 0.14 -0.01 0.21 0.00 -0.55 0.00 0.00 56.30 56.10 1lo5 h ASN 82 Cb 0.31 -0.11 -0.14 0.00 0.05 0.00 0.00 38.32 38.44 1lo5 h ASN 82 CO -0.33 0.33 0.19 0.22 -1.65 0.00 0.00 177.43 176.18 1lo5 h TYR 83 N 0.55 0.27 -0.00 1.19 5.03 -0.62 0.36 116.97 123.75 1lo5 h TYR 83 Ca 0.15 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.51 1lo5 h TYR 83 Cb -0.05 0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.24 1lo5 h TYR 83 CO -0.05 -0.20 -0.12 0.41 -1.32 0.00 0.00 178.16 176.88 1lo5 n GLY 84 N -1.38 -0.95 0.10 1.82 0.00 -1.11 -2.11 105.19 101.56 1lo5 n GLY 84 Ca 0.19 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1lo5 n GLY 84 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1lo5 h VAL 85 N 0.57 1.12 -0.50 1.61 2.07 -0.06 -3.33 116.25 117.73 1lo5 h VAL 85 Ca 0.00 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.15 1lo5 h VAL 85 Cb 0.37 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1lo5 h VAL 85 CO 0.00 0.31 0.00 0.61 0.02 0.00 0.00 177.57 178.51 1lo5 n GLY 86 N 0.76 1.82 0.34 2.17 0.00 -1.11 -4.61 105.19 104.56 1lo5 n GLY 86 Ca -0.08 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.28 1lo5 n GLY 86 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1lo5 h GLU 87 N 4.11 0.00 -0.47 1.61 4.81 -1.54 -1.78 114.58 121.32 1lo5 h GLU 87 Ca 0.00 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1lo5 h GLU 87 Cb 0.92 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.27 1lo5 h GLU 87 CO 0.00 0.00 0.28 0.66 -0.73 0.00 0.00 179.01 179.22 1lo5 h SER 88 N 0.00 0.45 -0.15 1.04 4.64 -1.86 -1.51 113.55 116.17 1lo5 h SER 88 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1lo5 h SER 88 Cb 0.71 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1lo5 h SER 88 CO -0.96 0.32 0.00 2.22 -0.87 0.00 0.00 176.83 177.54 1lo5 n PHE 89 N -4.82 0.17 0.00 4.77 1.16 -0.82 -3.36 117.46 114.56 1lo5 n PHE 89 Ca 0.03 -0.09 0.00 0.00 -1.87 0.00 0.00 57.45 55.52 1lo5 n PHE 89 Cb 0.07 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.94 1lo5 n PHE 89 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1lo5 n THR 90 N 0.91 0.00 0.08 1.97 -2.24 -0.73 -4.34 114.28 109.92 1lo5 n THR 90 Ca 0.17 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.83 1lo5 n THR 90 Cb 0.49 -0.97 -0.07 0.00 -2.10 0.00 0.00 70.33 67.69 1lo5 n THR 90 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1lo5 h VAL 91 N 0.00 0.86 0.00 2.28 2.07 -1.56 -2.50 116.25 117.40 1lo5 h VAL 91 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1lo5 h VAL 91 Cb 0.00 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1lo5 h VAL 91 CO 0.00 0.00 -0.06 1.56 0.02 0.00 0.00 177.57 179.09 1lo5 h GLN 92 N -0.14 0.00 -6.07 1.57 1.08 -1.43 -3.46 115.11 106.66 1lo5 h GLN 92 Ca 0.00 0.00 -0.81 0.00 -1.45 0.00 0.00 58.65 56.39 1lo5 h GLN 92 Cb 0.13 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1lo5 h GLN 92 CO -0.01 0.06 0.72 -2.13 -0.95 0.00 0.00 178.83 176.51 1lo5 n ARG 93 N -3.16 0.49 -3.69 1.46 3.00 -0.94 -4.94 116.66 108.87 1lo5 n ARG 93 Ca 0.01 0.18 -0.13 0.00 -0.00 0.00 0.00 57.85 57.91 1lo5 n ARG 93 Cb 0.38 -1.76 -0.13 0.00 0.00 0.00 0.00 32.46 30.95 1lo5 n ARG 93 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1lo5 s ARG 94 N 2.88 0.18 -0.06 -0.14 0.52 -1.26 -4.14 118.95 116.92 1lo5 s ARG 94 Ca 1.01 0.64 -0.01 0.00 -0.52 0.00 0.00 55.73 56.85 1lo5 s ARG 94 Cb -1.30 -0.08 0.03 0.00 0.52 0.00 0.00 34.95 34.12 1lo5 s ARG 94 CO 0.72 -0.23 -0.01 0.08 0.02 0.00 0.00 175.30 175.88 1lo5 s VAL 95 N 1.86 0.42 0.11 3.52 1.01 -0.57 -5.03 120.40 121.73 1lo5 s VAL 95 Ca -0.04 0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.67 1lo5 s VAL 95 Cb -0.11 -0.54 -0.08 0.00 0.00 0.00 0.00 36.38 35.65 1lo5 s VAL 95 CO -0.09 0.25 1.48 -0.70 0.00 0.00 0.00 175.10 176.04 1lo5 s GLU 96 N 1.62 4.27 1.05 2.72 2.12 -1.26 -4.00 118.70 125.22 1lo5 s GLU 96 Ca -0.00 2.18 -0.12 0.00 0.36 0.00 0.00 54.97 57.38 1lo5 s GLU 96 Cb -0.13 -3.31 0.22 0.00 0.26 0.00 0.00 34.13 31.17 1lo5 s GLU 96 CO -0.04 -0.54 1.07 -1.25 -0.54 0.00 0.00 175.26 173.96 1lo5 s PRO 97 N 1.50 -0.02 -0.19 4.30 0.04 -1.26 -4.70 135.00 134.67 1lo5 s PRO 97 Ca 0.67 0.73 -0.00 0.00 0.04 0.00 0.00 61.00 62.44 1lo5 s PRO 97 Cb -0.38 -1.67 0.02 0.00 0.04 0.00 0.00 34.50 32.50 1lo5 s PRO 97 CO 0.30 -3.09 -0.16 0.21 0.04 0.00 0.00 177.00 174.30 1lo5 s LYS 98 N -4.74 3.04 -0.02 4.56 2.36 -0.75 -4.93 119.74 119.26 1lo5 s LYS 98 Ca 0.66 -0.81 -0.01 0.00 -2.55 0.00 0.00 55.97 53.26 1lo5 s LYS 98 Cb -0.21 -2.68 -0.04 0.00 -1.05 0.00 0.00 37.83 33.84 1lo5 s LYS 98 CO 0.60 -0.23 0.11 0.08 1.55 0.00 0.00 175.35 177.46 1lo5 s VAL 99 N 1.32 4.94 -0.08 4.02 1.01 -1.26 -1.42 120.40 128.93 1lo5 s VAL 99 Ca 0.05 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 1lo5 s VAL 99 Cb -0.14 -3.26 0.04 0.00 0.00 0.00 0.00 36.38 33.02 1lo5 s VAL 99 CO -0.10 0.37 0.40 -0.89 0.00 0.00 0.00 175.10 174.88 1lo5 s THR 100 N -1.20 0.03 0.03 3.92 2.01 -1.26 -5.00 115.64 114.16 1lo5 s THR 100 Ca 0.23 -0.22 0.07 0.00 0.31 0.00 0.00 61.69 62.08 1lo5 s THR 100 Cb -0.12 -0.65 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 1lo5 s THR 100 CO 0.14 -0.12 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.05 1lo5 s VAL 101 N -0.68 1.63 0.00 3.82 1.01 -1.26 -1.88 120.40 123.04 1lo5 s VAL 101 Ca -0.08 -1.14 -0.29 0.00 0.00 0.00 0.00 61.98 60.48 1lo5 s VAL 101 Cb -0.04 -1.41 0.10 0.00 0.00 0.00 0.00 36.38 35.03 1lo5 s VAL 101 CO 0.03 0.24 0.90 -0.72 0.00 0.00 0.00 175.10 175.55 1lo5 s TYR 102 N -0.75 -0.33 0.08 5.22 -0.85 -1.26 -5.08 117.35 114.39 1lo5 s TYR 102 Ca 0.07 0.18 0.01 0.00 -0.52 0.00 0.00 57.07 56.81 1lo5 s TYR 102 Cb -0.09 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.76 1lo5 s TYR 102 CO 0.01 -0.56 0.22 -1.25 -1.52 0.00 0.00 175.55 172.46 1lo5 s PRO 103 N -3.12 3.42 -0.57 -3.49 0.04 -1.26 -3.64 135.00 126.38 1lo5 s PRO 103 Ca 0.05 -0.48 -0.17 0.00 0.04 0.00 0.00 61.00 60.44 1lo5 s PRO 103 Cb -0.01 -3.01 0.12 0.00 0.04 0.00 0.00 34.50 31.63 1lo5 s PRO 103 CO -0.08 0.59 0.61 -1.54 0.04 0.00 0.00 177.00 176.62 1lo5 s SER 104 N -2.67 6.20 0.00 6.66 1.04 -1.25 -4.50 113.70 119.18 1lo5 s SER 104 Ca 0.35 -1.63 0.00 0.00 0.48 0.00 0.00 55.95 55.15 1lo5 s SER 104 Cb -0.13 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1lo5 s SER 104 CO 0.28 -0.98 0.00 0.29 0.98 0.00 0.00 173.24 173.80 1lo5 n LYS 105 N 5.78 0.00 -1.05 4.02 5.02 -1.26 -4.78 118.16 125.89 1lo5 n LYS 105 Ca -0.11 0.22 -0.41 0.00 -2.02 0.00 0.00 58.31 55.99 1lo5 n LYS 105 Cb 0.41 -0.94 -0.06 0.00 -0.02 0.00 0.00 35.03 34.42 1lo5 n LYS 105 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1lo5 n THR 106 N -0.72 0.00 -4.69 -0.18 -1.04 -1.26 -4.93 114.28 101.46 1lo5 n THR 106 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 1lo5 n THR 106 Cb 0.31 -0.26 -0.08 0.00 -1.82 0.00 0.00 70.33 68.49 1lo5 n THR 106 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1lo5 s GLN 107 N 1.54 2.11 -1.03 -2.82 -0.21 -1.26 -5.09 119.66 112.89 1lo5 s GLN 107 Ca 0.63 -2.32 -0.16 0.00 0.02 0.00 0.00 55.36 53.53 1lo5 s GLN 107 Cb -0.90 -1.31 0.16 0.00 1.00 0.00 0.00 33.01 31.95 1lo5 s GLN 107 CO 0.48 -0.36 1.21 -2.14 -2.12 0.00 0.00 175.29 172.36 1lo5 s PRO 108 N -3.83 3.81 0.00 2.91 0.02 -1.26 -4.98 135.00 131.67 1lo5 s PRO 108 Ca 0.13 -2.17 0.00 0.00 0.02 0.00 0.00 61.00 58.97 1lo5 s PRO 108 Cb 0.03 -4.92 0.00 0.00 0.02 0.00 0.00 34.50 29.63 1lo5 s PRO 108 CO 0.07 -1.71 0.00 -0.11 -0.33 0.00 0.00 177.00 174.92 1lo5 n LEU 109 N 5.87 0.00 0.00 -5.54 7.94 -1.26 -3.74 117.00 120.27 1lo5 n LEU 109 Ca 0.28 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 1lo5 n LEU 109 Cb 0.46 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.41 1lo5 n LEU 109 CO 0.53 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.81 1lo5 n GLN 110 N 0.00 0.00 -3.00 1.96 6.02 -0.97 -4.95 117.38 116.44 1lo5 n GLN 110 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.55 1lo5 n GLN 110 Cb 0.00 -2.04 -0.03 0.00 1.02 0.00 0.00 30.24 29.18 1lo5 n GLN 110 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1lo5 s HIS 111 N -3.30 3.04 0.00 1.08 2.46 -1.25 -4.54 115.29 112.78 1lo5 s HIS 111 Ca 0.00 -1.12 0.00 0.00 0.47 0.00 0.00 55.06 54.41 1lo5 s HIS 111 Cb 0.00 -4.16 0.00 0.00 -0.13 0.00 0.00 32.58 28.29 1lo5 s HIS 111 CO 0.00 -1.43 0.00 -2.39 -2.47 0.00 0.00 174.74 168.45 1lo5 n HIS 112 N 6.52 0.00 -3.34 3.88 1.44 -1.26 -4.86 115.22 117.60 1lo5 n HIS 112 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 1lo5 n HIS 112 Cb 0.46 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.57 1lo5 n HIS 112 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1lo5 n ASN 113 N 0.00 1.16 -3.77 4.39 4.05 -0.54 -4.94 115.26 115.60 1lo5 n ASN 113 Ca 0.00 -0.34 -0.13 0.00 0.45 0.00 0.00 54.58 54.56 1lo5 n ASN 113 Cb 0.00 0.00 -0.12 0.00 1.23 0.00 0.00 39.78 40.89 1lo5 n ASN 113 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1lo5 s LEU 114 N 0.00 0.88 -0.03 1.20 1.43 -1.26 -1.99 118.68 118.91 1lo5 s LEU 114 Ca 0.00 0.54 0.07 0.00 -1.03 0.00 0.00 54.13 53.71 1lo5 s LEU 114 Cb 0.00 0.89 -0.02 0.00 0.03 0.00 0.00 46.19 47.09 1lo5 s LEU 114 CO 0.00 -0.10 -0.24 -0.76 0.23 0.00 0.00 176.35 175.48 1lo5 s LEU 115 N 0.33 2.17 -0.24 1.79 1.02 0.56 -3.78 118.68 120.53 1lo5 s LEU 115 Ca -0.02 -0.43 -0.00 0.00 0.02 0.00 0.00 54.13 53.70 1lo5 s LEU 115 Cb -0.03 -1.38 0.07 0.00 0.02 0.00 0.00 46.19 44.86 1lo5 s LEU 115 CO -0.01 0.31 -0.01 -0.69 0.02 0.00 0.00 176.35 175.97 1lo5 s VAL 116 N -0.56 1.26 0.16 -1.59 1.01 -1.24 0.13 120.40 119.57 1lo5 s VAL 116 Ca 0.08 -1.14 -0.29 0.00 0.00 0.00 0.00 61.98 60.64 1lo5 s VAL 116 Cb -0.11 -1.64 -0.07 0.00 0.00 0.00 0.00 36.38 34.56 1lo5 s VAL 116 CO -0.00 -0.21 0.92 0.00 0.00 0.00 0.00 175.10 175.81 1lo5 n SER 118 N 2.18 2.86 -4.78 0.00 3.41 -0.79 -2.63 113.62 113.88 1lo5 n SER 118 Ca -0.00 -3.21 -0.41 0.00 -0.26 0.00 0.00 58.87 54.99 1lo5 n SER 118 Cb 0.48 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1lo5 n SER 118 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1lo5 s VAL 119 N -1.74 2.14 -0.28 -3.33 1.01 -0.94 -4.13 120.40 113.12 1lo5 s VAL 119 Ca 0.32 0.14 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 1lo5 s VAL 119 Cb 0.06 -3.09 0.10 0.00 0.00 0.00 0.00 36.38 33.45 1lo5 s VAL 119 CO -0.10 0.03 0.66 -0.94 0.00 0.00 0.00 175.10 174.75 1lo5 s SER 120 N -0.27 -1.01 0.00 3.32 1.04 -0.51 -3.04 113.70 113.23 1lo5 s SER 120 Ca 0.54 1.52 0.00 0.00 0.48 0.00 0.00 55.95 58.49 1lo5 s SER 120 Cb -0.45 1.75 0.00 0.00 0.10 0.00 0.00 66.02 67.42 1lo5 s SER 120 CO 0.60 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.20 1lo5 n GLY 121 N 4.80 1.33 0.00 7.32 0.00 -0.63 -1.82 105.19 116.20 1lo5 n GLY 121 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1lo5 n GLY 121 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1lo5 n PHE 122 N 0.00 0.00 0.00 1.61 3.01 -0.90 -4.55 117.46 116.63 1lo5 n PHE 122 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1lo5 n PHE 122 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1lo5 n PHE 122 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 1lo5 n TYR 123 N 0.00 0.00 -0.31 1.38 4.19 -1.26 -3.90 117.16 117.27 1lo5 n TYR 123 Ca 0.00 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.12 1lo5 n TYR 123 Cb 0.00 0.00 0.08 0.00 0.49 0.00 0.00 39.34 39.91 1lo5 n TYR 123 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1lo5 n PRO 124 N 0.46 -2.33 -0.09 2.98 -0.02 -1.26 -1.50 135.00 133.24 1lo5 n PRO 124 Ca 0.00 -0.45 -0.21 0.00 -2.02 0.00 0.00 63.50 60.82 1lo5 n PRO 124 Cb 0.00 -0.51 -0.12 0.00 -0.02 0.00 0.00 33.50 32.85 1lo5 n PRO 124 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1lo5 h GLY 125 N -1.50 0.03 -5.94 -1.23 0.00 -1.98 -3.46 103.07 88.99 1lo5 h GLY 125 Ca -0.11 -0.08 -0.49 0.00 0.00 0.00 0.00 47.33 46.65 1lo5 h GLY 125 CO 0.07 0.07 1.40 -1.26 0.00 0.00 0.00 176.54 176.82 1lo5 n SER 126 N -4.38 0.35 -4.11 0.19 2.88 -1.26 -4.85 113.62 102.44 1lo5 n SER 126 Ca -0.28 0.27 -0.10 0.00 -1.33 0.00 0.00 58.87 57.42 1lo5 n SER 126 Cb 0.68 -0.78 -0.10 0.00 -0.75 0.00 0.00 64.21 63.26 1lo5 n SER 126 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1lo5 s ILE 127 N 6.96 0.51 0.00 2.46 1.10 -1.26 -4.69 121.20 126.28 1lo5 s ILE 127 Ca 1.12 -1.62 0.02 0.00 -0.51 0.00 0.00 60.65 59.66 1lo5 s ILE 127 Cb -1.12 -1.28 -0.01 0.00 0.15 0.00 0.00 42.46 40.20 1lo5 s ILE 127 CO 0.45 -0.75 -0.08 -1.61 -2.11 0.00 0.00 174.94 170.85 1lo5 s GLU 128 N -3.12 0.60 -0.31 3.50 2.02 -1.18 -5.04 118.70 115.17 1lo5 s GLU 128 Ca 0.03 -0.32 0.04 0.00 0.02 0.00 0.00 54.97 54.73 1lo5 s GLU 128 Cb 0.01 -0.57 0.17 0.00 0.10 0.00 0.00 34.13 33.84 1lo5 s GLU 128 CO -0.04 0.15 0.47 0.08 0.02 0.00 0.00 175.26 175.94 1lo5 s VAL 129 N -0.30 -0.73 0.50 2.63 1.01 -1.25 -2.07 120.40 120.19 1lo5 s VAL 129 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1lo5 s VAL 129 Cb -0.04 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.46 1lo5 s VAL 129 CO -0.00 -0.22 0.72 -0.13 0.00 0.00 0.00 175.10 175.48 1lo5 s ARG 130 N 2.48 2.84 0.24 2.72 0.52 -0.79 -4.89 118.95 122.07 1lo5 s ARG 130 Ca 0.11 -0.59 0.11 0.00 -0.52 0.00 0.00 55.73 54.84 1lo5 s ARG 130 Cb -0.11 -2.52 -0.05 0.00 0.52 0.00 0.00 34.95 32.79 1lo5 s ARG 130 CO -0.25 -0.47 -0.16 -1.58 0.02 0.00 0.00 175.30 172.86 1lo5 s TRP 131 N -2.66 2.42 -0.27 -0.53 0.52 -1.26 -1.77 118.94 115.39 1lo5 s TRP 131 Ca 0.52 -0.30 -0.00 0.00 0.02 0.00 0.00 56.10 56.34 1lo5 s TRP 131 Cb -0.10 -1.11 0.14 0.00 -1.15 0.00 0.00 33.47 31.24 1lo5 s TRP 131 CO 0.38 0.61 0.33 -0.06 0.02 0.00 0.00 176.95 178.23 1lo5 s PHE 132 N -2.14 -0.63 -0.62 -1.98 0.08 0.07 -2.64 117.98 110.12 1lo5 s PHE 132 Ca 0.27 0.13 -0.25 0.00 0.12 0.00 0.00 56.93 57.20 1lo5 s PHE 132 Cb -0.07 -0.31 0.05 0.00 -0.57 0.00 0.00 43.02 42.12 1lo5 s PHE 132 CO 0.15 -0.88 1.05 0.50 -0.10 0.00 0.00 175.22 175.93 1lo5 s ARG 133 N 2.43 3.26 -0.92 0.44 3.00 -0.09 -1.68 118.95 125.38 1lo5 s ARG 133 Ca 0.10 -0.36 -0.05 0.00 -1.00 0.00 0.00 55.73 54.42 1lo5 s ARG 133 Cb -0.14 -4.12 0.01 0.00 0.00 0.00 0.00 34.95 30.69 1lo5 s ARG 133 CO -0.28 -1.74 0.60 0.09 0.00 0.00 0.00 175.30 173.97 1lo5 n ASN 134 N 8.03 -4.67 0.00 -2.12 4.13 0.40 -2.71 115.26 118.32 1lo5 n ASN 134 Ca 0.01 -0.27 0.00 0.00 1.68 0.00 0.00 54.58 56.00 1lo5 n ASN 134 Cb 0.47 -3.38 0.00 0.00 -1.54 0.00 0.00 39.78 35.34 1lo5 n ASN 134 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1lo5 n GLY 135 N -1.37 1.48 3.57 7.41 0.00 -1.25 -5.01 105.19 110.01 1lo5 n GLY 135 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1lo5 n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lo5 s GLN 136 N -0.24 3.90 0.46 1.61 -1.52 -1.10 -5.01 119.66 117.76 1lo5 s GLN 136 Ca 0.00 -0.35 -0.23 0.00 -1.95 0.00 0.00 55.36 52.83 1lo5 s GLN 136 Cb 0.00 -3.55 -0.07 0.00 -0.22 0.00 0.00 33.01 29.17 1lo5 s GLN 136 CO 0.00 -0.13 1.21 -2.00 -0.25 0.00 0.00 175.29 174.12 1lo5 s GLU 137 N 1.57 3.70 -0.07 2.91 2.12 -1.26 -0.92 118.70 126.76 1lo5 s GLU 137 Ca 0.07 1.90 0.02 0.00 0.36 0.00 0.00 54.97 57.32 1lo5 s GLU 137 Cb -0.15 -2.44 0.01 0.00 0.26 0.00 0.00 34.13 31.81 1lo5 s GLU 137 CO 0.08 -0.64 -0.11 -1.21 -0.54 0.00 0.00 175.26 172.84 1lo5 s GLU 138 N -2.64 1.63 -0.08 4.30 2.02 -1.08 -4.91 118.70 117.94 1lo5 s GLU 138 Ca 0.64 -0.38 0.12 0.00 0.02 0.00 0.00 54.97 55.36 1lo5 s GLU 138 Cb -0.32 -1.39 0.31 0.00 0.10 0.00 0.00 34.13 32.83 1lo5 s GLU 138 CO 0.39 -0.01 1.23 1.63 0.02 0.00 0.00 175.26 178.53 1lo5 n LYS 139 N 3.93 2.62 -3.89 1.61 5.02 -1.26 -4.45 118.16 121.74 1lo5 n LYS 139 Ca -0.22 -2.28 -0.30 0.00 -2.02 0.00 0.00 58.31 53.49 1lo5 n LYS 139 Cb 0.51 -1.43 -0.15 0.00 -0.02 0.00 0.00 35.03 33.94 1lo5 n LYS 139 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1lo5 s ALA 140 N -1.90 2.23 0.00 7.82 0.00 -1.26 -4.72 121.76 123.93 1lo5 s ALA 140 Ca 0.26 -2.08 0.00 0.00 0.00 0.00 0.00 51.96 50.14 1lo5 s ALA 140 Cb 0.19 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1lo5 s ALA 140 CO 0.08 -1.65 0.00 0.41 0.00 0.00 0.00 175.76 174.60 1lo5 n GLY 141 N 4.54 1.37 2.93 0.00 0.00 -1.26 -4.89 105.19 107.89 1lo5 n GLY 141 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1lo5 n GLY 141 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1lo5 n VAL 142 N -1.08 4.48 -2.47 1.61 0.31 -1.25 -1.01 118.33 118.92 1lo5 n VAL 142 Ca 0.00 -5.67 -0.43 0.00 -0.01 0.00 0.00 64.34 58.23 1lo5 n VAL 142 Cb 0.00 -2.16 -0.02 0.00 -0.91 0.00 0.00 33.84 30.74 1lo5 n VAL 142 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1lo5 s VAL 143 N -2.45 4.33 0.05 2.52 1.01 -0.08 -4.71 120.40 121.07 1lo5 s VAL 143 Ca 0.32 1.63 0.06 0.00 0.00 0.00 0.00 61.98 63.99 1lo5 s VAL 143 Cb 0.04 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1lo5 s VAL 143 CO 0.04 -0.08 -0.14 -0.55 0.00 0.00 0.00 175.10 174.36 1lo5 s SER 144 N 1.68 4.07 0.29 3.32 0.15 -1.26 0.05 113.70 122.00 1lo5 s SER 144 Ca 0.54 -0.37 0.14 0.00 0.70 0.00 0.00 55.95 56.95 1lo5 s SER 144 Cb -0.22 -0.74 0.35 0.00 -1.71 0.00 0.00 66.02 63.70 1lo5 s SER 144 CO 0.17 0.24 1.58 0.71 1.20 0.00 0.00 173.24 177.14 1lo5 h THR 145 N 3.76 1.20 0.00 6.45 1.35 -1.50 -3.49 112.91 120.69 1lo5 h THR 145 Ca -0.48 -2.11 0.00 0.00 -0.55 0.00 0.00 66.41 63.27 1lo5 h THR 145 Cb 1.16 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.79 1lo5 h THR 145 CO 0.49 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 176.93 1lo5 n GLY 146 N 0.54 1.24 3.63 5.82 0.00 -1.26 -4.93 105.19 110.23 1lo5 n GLY 146 Ca -0.00 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 1lo5 n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1lo5 s LEU 147 N 0.00 3.97 -0.27 0.99 2.96 -1.26 -4.37 118.68 120.69 1lo5 s LEU 147 Ca 0.00 1.91 -0.06 0.00 -0.22 0.00 0.00 54.13 55.76 1lo5 s LEU 147 Cb 0.00 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.17 1lo5 s LEU 147 CO 0.00 -1.29 0.05 -0.63 -1.32 0.00 0.00 176.35 173.15 1lo5 s ILE 148 N 5.42 3.79 -0.16 6.68 -1.09 -1.26 -5.03 121.20 129.55 1lo5 s ILE 148 Ca 0.79 -0.65 -0.17 0.00 -2.23 0.00 0.00 60.65 58.39 1lo5 s ILE 148 Cb -0.30 -2.90 -0.04 0.00 -1.58 0.00 0.00 42.46 37.64 1lo5 s ILE 148 CO 0.32 0.17 0.43 -1.58 -1.23 0.00 0.00 174.94 173.04 1lo5 s GLN 149 N 1.49 4.26 0.08 2.79 0.74 -1.26 -2.14 119.66 125.62 1lo5 s GLN 149 Ca 0.03 0.31 0.23 0.00 0.05 0.00 0.00 55.36 55.98 1lo5 s GLN 149 Cb -0.16 -3.48 0.09 0.00 1.10 0.00 0.00 33.01 30.56 1lo5 s GLN 149 CO 0.01 0.08 1.07 0.09 -0.55 0.00 0.00 175.29 175.99 1lo5 n ASN 150 N 4.01 0.64 0.00 6.67 3.02 -1.01 -4.98 115.26 123.61 1lo5 n ASN 150 Ca -0.08 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 1lo5 n ASN 150 Cb 0.51 0.65 0.00 0.00 -0.61 0.00 0.00 39.78 40.33 1lo5 n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lo5 n GLY 151 N 1.33 1.62 1.31 7.41 0.00 -1.26 -4.84 105.19 110.76 1lo5 n GLY 151 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1lo5 n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1lo5 n ASP 152 N 0.00 4.42 -1.21 1.61 5.75 -1.26 -4.91 116.55 120.95 1lo5 n ASP 152 Ca 0.00 -2.61 -0.03 0.00 -0.01 0.00 0.00 54.79 52.14 1lo5 n ASP 152 Cb 0.00 -0.53 0.01 0.00 -1.03 0.00 0.00 41.12 39.57 1lo5 n ASP 152 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1lo5 n TRP 153 N 0.52 -0.36 -3.68 2.11 7.02 -1.26 -5.07 117.44 116.72 1lo5 n TRP 153 Ca 0.23 0.14 -0.12 0.00 -1.02 0.00 0.00 57.50 56.73 1lo5 n TRP 153 Cb 0.87 -2.15 -0.09 0.00 -2.42 0.00 0.00 31.31 27.53 1lo5 n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1lo5 s THR 154 N -3.05 -0.00 0.44 -0.99 -4.23 -1.26 -4.71 115.64 101.83 1lo5 s THR 154 Ca 0.03 0.02 0.07 0.00 -1.18 0.00 0.00 61.69 60.63 1lo5 s THR 154 Cb -0.01 -0.77 -0.02 0.00 1.34 0.00 0.00 72.50 73.04 1lo5 s THR 154 CO 0.11 0.01 0.31 -0.36 -0.54 0.00 0.00 174.62 174.14 1lo5 s PHE 155 N 0.64 2.43 -0.30 3.99 0.40 -1.25 -2.41 117.98 121.48 1lo5 s PHE 155 Ca -0.03 -0.61 -0.04 0.00 -0.60 0.00 0.00 56.93 55.66 1lo5 s PHE 155 Cb -0.05 -2.04 0.19 0.00 0.51 0.00 0.00 43.02 41.63 1lo5 s PHE 155 CO -0.04 -0.09 0.83 1.14 0.70 0.00 0.00 175.22 177.76 1lo5 s GLN 156 N -4.08 0.35 0.25 0.44 -2.07 -0.91 -1.60 119.66 112.04 1lo5 s GLN 156 Ca 0.42 0.41 0.03 0.00 -1.82 0.00 0.00 55.36 54.41 1lo5 s GLN 156 Cb -0.00 0.20 -0.03 0.00 -1.09 0.00 0.00 33.01 32.09 1lo5 s GLN 156 CO 0.24 -0.59 0.40 -0.08 -1.32 0.00 0.00 175.29 173.95 1lo5 s THR 157 N 2.90 5.22 -0.24 3.63 -1.32 -1.17 -3.99 115.64 120.67 1lo5 s THR 157 Ca 0.16 -0.75 -0.02 0.00 -1.21 0.00 0.00 61.69 59.87 1lo5 s THR 157 Cb -0.07 -3.83 0.08 0.00 -1.51 0.00 0.00 72.50 67.16 1lo5 s THR 157 CO -0.22 -0.34 0.07 -0.76 -2.21 0.00 0.00 174.62 171.16 1lo5 s LEU 158 N -3.90 1.39 -0.39 9.08 1.02 -1.26 -2.21 118.68 122.40 1lo5 s LEU 158 Ca 0.36 -1.14 -0.16 0.00 0.02 0.00 0.00 54.13 53.22 1lo5 s LEU 158 Cb -0.10 -0.63 0.01 0.00 0.02 0.00 0.00 46.19 45.49 1lo5 s LEU 158 CO 0.31 -0.36 0.35 -0.69 0.02 0.00 0.00 176.35 175.98 1lo5 s VAL 159 N 1.83 5.18 0.30 -1.59 1.01 -1.08 -1.06 120.40 124.98 1lo5 s VAL 159 Ca 0.04 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1lo5 s VAL 159 Cb -0.17 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1lo5 s VAL 159 CO -0.18 -0.27 0.45 -0.04 0.00 0.00 0.00 175.10 175.06 1lo5 s MET 160 N 1.92 3.39 -0.05 2.72 1.00 0.11 -1.84 119.30 126.54 1lo5 s MET 160 Ca 0.09 -0.64 -0.02 0.00 0.00 0.00 0.00 55.69 55.12 1lo5 s MET 160 Cb -0.18 -2.79 0.04 0.00 0.00 0.00 0.00 34.83 31.90 1lo5 s MET 160 CO 0.12 0.25 0.11 -1.17 0.00 0.00 0.00 175.02 174.33 1lo5 s LEU 161 N -4.14 0.76 -0.15 -0.03 2.96 0.34 -0.90 118.68 117.52 1lo5 s LEU 161 Ca 0.38 0.22 -0.11 0.00 -0.22 0.00 0.00 54.13 54.40 1lo5 s LEU 161 Cb -0.09 0.23 -0.05 0.00 0.50 0.00 0.00 46.19 46.78 1lo5 s LEU 161 CO 0.32 -0.15 0.22 -1.61 -1.32 0.00 0.00 176.35 173.81 1lo5 s GLU 162 N 1.24 4.04 0.00 1.98 2.02 -0.18 0.21 118.70 128.00 1lo5 s GLU 162 Ca -0.08 -0.02 0.00 0.00 0.02 0.00 0.00 54.97 54.89 1lo5 s GLU 162 Cb -0.12 -3.36 0.00 0.00 0.10 0.00 0.00 34.13 30.75 1lo5 s GLU 162 CO -0.05 0.41 0.00 0.25 0.02 0.00 0.00 175.26 175.89 1lo5 n THR 163 N 3.08 0.00 -3.29 3.63 -2.24 -0.84 -4.83 114.28 109.78 1lo5 n THR 163 Ca -0.15 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.55 1lo5 n THR 163 Cb 0.53 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.70 1lo5 n THR 163 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1lo5 s VAL 164 N -0.78 -0.66 -0.44 2.28 1.01 -1.26 -1.47 120.40 119.09 1lo5 s VAL 164 Ca 0.00 -0.32 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 1lo5 s VAL 164 Cb 0.00 -0.91 -0.15 0.00 0.00 0.00 0.00 36.38 35.32 1lo5 s VAL 164 CO 0.00 -0.27 1.48 -0.81 0.00 0.00 0.00 175.10 175.50 1lo5 n PRO 165 N 5.21 0.04 -2.67 2.72 -0.04 -1.26 -4.82 135.00 134.17 1lo5 n PRO 165 Ca 0.03 -0.84 -0.42 0.00 -0.04 0.00 0.00 63.50 62.22 1lo5 n PRO 165 Cb 0.50 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.50 1lo5 n PRO 165 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1lo5 s ARG 166 N 6.51 4.46 0.78 0.54 1.81 -1.26 -2.30 118.95 129.50 1lo5 s ARG 166 Ca 0.44 1.43 -0.15 0.00 -1.72 0.00 0.00 55.73 55.73 1lo5 s ARG 166 Cb 0.00 -3.51 -0.01 0.00 -0.45 0.00 0.00 34.95 30.98 1lo5 s ARG 166 CO 0.13 -0.24 0.56 0.43 -0.68 0.00 0.00 175.30 175.50 1lo5 n SER 167 N 4.62 -1.20 0.00 0.23 7.64 -1.26 -2.69 113.62 120.96 1lo5 n SER 167 Ca 0.08 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.50 1lo5 n SER 167 Cb 0.49 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 1lo5 n SER 167 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lo5 n GLY 168 N 1.54 2.45 3.74 0.23 0.00 -1.26 -5.00 105.19 106.88 1lo5 n GLY 168 Ca 0.10 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1lo5 n GLY 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lo5 s GLU 169 N 0.00 4.13 -0.32 1.61 2.02 -1.09 -4.87 118.70 120.18 1lo5 s GLU 169 Ca 0.00 2.56 0.01 0.00 0.02 0.00 0.00 54.97 57.56 1lo5 s GLU 169 Cb 0.00 -3.06 0.08 0.00 0.10 0.00 0.00 34.13 31.25 1lo5 s GLU 169 CO 0.00 -0.67 0.02 0.08 0.02 0.00 0.00 175.26 174.71 1lo5 s VAL 170 N 0.54 2.63 0.41 2.63 1.01 -1.26 -2.71 120.40 123.65 1lo5 s VAL 170 Ca 0.68 -1.82 -0.09 0.00 0.00 0.00 0.00 61.98 60.75 1lo5 s VAL 170 Cb -0.48 -2.68 -0.06 0.00 0.00 0.00 0.00 36.38 33.16 1lo5 s VAL 170 CO 0.40 -0.31 0.76 -0.31 0.00 0.00 0.00 175.10 175.64 1lo5 s TYR 171 N 1.10 3.48 -0.26 5.22 2.02 -1.09 0.15 117.35 127.98 1lo5 s TYR 171 Ca 0.00 0.99 -0.21 0.00 -0.37 0.00 0.00 57.07 57.49 1lo5 s TYR 171 Cb -0.20 -2.41 0.07 0.00 -0.40 0.00 0.00 41.96 39.02 1lo5 s TYR 171 CO -0.04 -0.12 0.68 0.99 -1.57 0.00 0.00 175.55 175.49 1lo5 s THR 172 N -2.41 -0.00 -0.36 -0.71 2.01 -0.68 -1.33 115.64 112.17 1lo5 s THR 172 Ca 0.50 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.39 1lo5 s THR 172 Cb -0.10 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.46 1lo5 s THR 172 CO 0.33 0.00 0.21 0.00 -0.69 0.00 0.00 174.62 174.47 1lo5 s GLN 174 N 1.61 3.45 -0.19 0.00 0.74 -0.73 -2.60 119.66 121.95 1lo5 s GLN 174 Ca 0.04 -0.12 -0.05 0.00 0.05 0.00 0.00 55.36 55.28 1lo5 s GLN 174 Cb -0.18 -3.19 0.06 0.00 1.10 0.00 0.00 33.01 30.80 1lo5 s GLN 174 CO 0.08 0.78 0.09 0.08 -0.55 0.00 0.00 175.29 175.76 1lo5 s VAL 175 N -1.04 -0.01 -0.12 1.34 1.01 -0.71 -1.89 120.40 118.99 1lo5 s VAL 175 Ca 0.15 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 1lo5 s VAL 175 Cb -0.12 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1lo5 s VAL 175 CO 0.05 -0.32 0.47 -1.61 0.00 0.00 0.00 175.10 173.68 1lo5 s GLU 176 N 2.10 4.33 0.01 2.72 2.02 -0.88 -2.09 118.70 126.91 1lo5 s GLU 176 Ca 0.02 0.43 0.00 0.00 0.02 0.00 0.00 54.97 55.45 1lo5 s GLU 176 Cb -0.16 -3.44 -0.01 0.00 0.10 0.00 0.00 34.13 30.62 1lo5 s GLU 176 CO -0.12 0.15 -0.03 -1.58 0.02 0.00 0.00 175.26 173.71 1lo5 s HIS 177 N 0.65 0.22 -2.00 1.61 2.46 -1.26 -3.11 115.29 113.86 1lo5 s HIS 177 Ca 0.25 -0.24 0.08 0.00 0.47 0.00 0.00 55.06 55.63 1lo5 s HIS 177 Cb -0.15 -0.15 0.49 0.00 -0.13 0.00 0.00 32.58 32.65 1lo5 s HIS 177 CO 0.10 -0.07 0.93 -0.35 -2.47 0.00 0.00 174.74 172.88 1lo5 n PRO 178 N 2.41 0.27 -0.12 2.88 -0.04 -1.26 -1.15 135.00 137.99 1lo5 n PRO 178 Ca -0.17 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.41 1lo5 n PRO 178 Cb 0.58 -1.47 0.20 0.00 -0.04 0.00 0.00 33.50 32.76 1lo5 n PRO 178 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1lo5 n SER 179 N -0.97 3.15 -3.71 3.54 3.41 -1.26 -4.87 113.62 112.90 1lo5 n SER 179 Ca 0.06 -1.96 -0.16 0.00 -0.26 0.00 0.00 58.87 56.55 1lo5 n SER 179 Cb 0.03 -0.15 -0.16 0.00 -0.26 0.00 0.00 64.21 63.67 1lo5 n SER 179 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1lo5 s VAL 180 N -1.69 -0.14 0.54 -3.33 -7.23 -0.30 -4.67 120.40 103.58 1lo5 s VAL 180 Ca 0.35 0.29 0.26 0.00 -1.81 0.00 0.00 61.98 61.07 1lo5 s VAL 180 Cb 0.22 -0.22 0.32 0.00 0.56 0.00 0.00 36.38 37.25 1lo5 s VAL 180 CO 0.31 0.12 2.19 0.71 -0.31 0.00 0.00 175.10 178.12 1lo5 h THR 181 N 6.28 0.65 -3.39 5.32 1.35 -1.90 -3.42 112.91 117.80 1lo5 h THR 181 Ca -0.28 -0.15 -0.43 0.00 -0.55 0.00 0.00 66.41 65.00 1lo5 h THR 181 Cb 1.12 1.09 -0.35 0.00 -1.73 0.00 0.00 68.15 68.29 1lo5 h THR 181 CO 0.29 0.04 -0.78 -0.94 -0.25 0.00 0.00 175.52 173.88 1lo5 s SER 182 N -6.35 1.22 0.05 5.36 1.04 -1.26 -5.11 113.70 108.64 1lo5 s SER 182 Ca -0.04 -0.14 -0.37 0.00 0.48 0.00 0.00 55.95 55.87 1lo5 s SER 182 Cb 0.15 -0.49 -0.17 0.00 0.10 0.00 0.00 66.02 65.61 1lo5 s SER 182 CO 0.58 -0.09 1.32 -0.81 0.98 0.00 0.00 173.24 175.23 1lo5 n PRO 183 N 4.35 0.97 -1.46 4.02 -0.04 -1.26 -4.94 135.00 136.64 1lo5 n PRO 183 Ca -0.20 0.35 -0.31 0.00 -0.04 0.00 0.00 63.50 63.30 1lo5 n PRO 183 Cb 0.51 -1.97 0.07 0.00 -0.04 0.00 0.00 33.50 32.06 1lo5 n PRO 183 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1lo5 s LEU 184 N 0.58 3.11 0.07 1.53 1.43 -0.89 -4.82 118.68 119.69 1lo5 s LEU 184 Ca 0.86 1.73 -0.12 0.00 -1.03 0.00 0.00 54.13 55.57 1lo5 s LEU 184 Cb -1.01 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 40.71 1lo5 s LEU 184 CO 0.49 -1.69 0.26 0.42 0.23 0.00 0.00 176.35 176.06 1lo5 s THR 185 N -2.94 0.11 -0.26 5.49 -4.23 -1.26 -1.73 115.64 110.81 1lo5 s THR 185 Ca 0.60 -0.87 -0.10 0.00 -1.18 0.00 0.00 61.69 60.13 1lo5 s THR 185 Cb -0.16 -1.09 0.10 0.00 1.34 0.00 0.00 72.50 72.70 1lo5 s THR 185 CO 0.54 -0.48 0.58 -0.69 -0.54 0.00 0.00 174.62 174.04 1lo5 s VAL 186 N -3.13 -0.64 0.08 2.29 1.01 -1.07 -5.00 120.40 113.95 1lo5 s VAL 186 Ca -0.01 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1lo5 s VAL 186 Cb 0.01 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1lo5 s VAL 186 CO -0.07 0.02 0.07 -1.83 0.00 0.00 0.00 175.10 173.29 1lo5 s GLU 187 N 2.45 2.82 -0.03 2.72 1.03 -1.26 -1.13 118.70 125.30 1lo5 s GLU 187 Ca -0.06 -0.72 0.01 0.00 0.03 0.00 0.00 54.97 54.23 1lo5 s GLU 187 Cb -0.10 -2.70 0.03 0.00 -0.80 0.00 0.00 34.13 30.56 1lo5 s GLU 187 CO -0.17 0.56 -0.01 -0.46 -1.33 0.00 0.00 175.26 173.85 1lo5 s TRP 188 N -1.38 0.42 0.41 4.83 -0.00 -0.44 -4.99 118.94 117.80 1lo5 s TRP 188 Ca 0.29 -0.05 -0.23 0.00 -0.00 0.00 0.00 56.10 56.10 1lo5 s TRP 188 Cb -0.12 -0.46 -0.09 0.00 -0.00 0.00 0.00 33.47 32.79 1lo5 s TRP 188 CO 0.21 -0.14 1.03 0.50 -0.00 0.00 0.00 176.95 178.55 1lo5 s ARG 189 N 0.96 4.12 0.00 5.86 3.52 -1.26 -2.66 118.95 129.49 1lo5 s ARG 189 Ca -0.10 1.43 0.31 0.00 -0.13 0.00 0.00 55.73 57.24 1lo5 s ARG 189 Cb -0.14 -2.43 1.68 0.00 -1.56 0.00 0.00 34.95 32.50 1lo5 s ARG 189 CO -0.01 -0.16 2.10 0.00 -0.81 0.00 0.00 175.30 176.42