#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t60 h HIS 4 N 0.00 0.00 0.00 2.11 3.86 -1.88 -3.48 115.15 115.76 1t60 h HIS 4 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1t60 h HIS 4 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1t60 h HIS 4 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 1t60 n GLY 5 N 1.13 0.90 3.90 2.45 0.00 -1.26 -5.13 105.19 107.19 1t60 n GLY 5 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1t60 n GLY 5 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1t60 s PHE 6 N -1.35 3.49 0.06 1.61 0.40 -1.23 -4.98 117.98 115.98 1t60 s PHE 6 Ca 0.00 0.76 0.04 0.00 -0.60 0.00 0.00 56.93 57.14 1t60 s PHE 6 Cb 0.00 -2.22 -0.03 0.00 0.51 0.00 0.00 43.02 41.28 1t60 s PHE 6 CO 0.00 0.01 -0.12 -0.51 0.70 0.00 0.00 175.22 175.29 1t60 s LEU 7 N -3.91 2.25 -0.03 -0.37 1.43 -1.26 -0.90 118.68 115.89 1t60 s LEU 7 Ca 0.46 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 1t60 s LEU 7 Cb -0.10 -0.44 -0.00 0.00 0.03 0.00 0.00 46.19 45.67 1t60 s LEU 7 CO 0.33 -0.08 -0.13 0.54 0.23 0.00 0.00 176.35 177.24 1t60 s VAL 8 N -1.20 1.07 -0.06 -1.59 0.11 0.13 -4.83 120.40 114.03 1t60 s VAL 8 Ca -0.03 -0.53 0.05 0.00 -2.93 0.00 0.00 61.98 58.54 1t60 s VAL 8 Cb -0.09 -0.92 -0.02 0.00 -1.53 0.00 0.00 36.38 33.82 1t60 s VAL 8 CO 0.02 0.32 -0.21 -0.89 -3.33 0.00 0.00 175.10 171.01 1t60 s THR 9 N 0.06 2.46 0.04 5.04 2.01 -1.26 -0.18 115.64 123.80 1t60 s THR 9 Ca -0.02 -0.93 0.06 0.00 0.31 0.00 0.00 61.69 61.11 1t60 s THR 9 Cb -0.09 -1.93 -0.02 0.00 0.01 0.00 0.00 72.50 70.47 1t60 s THR 9 CO 0.01 0.57 -0.16 -0.60 -0.69 0.00 0.00 174.62 173.75 1t60 s ARG 10 N -0.27 1.06 -0.11 4.92 3.52 0.08 -4.82 118.95 123.32 1t60 s ARG 10 Ca 0.00 -0.81 0.03 0.00 -0.13 0.00 0.00 55.73 54.82 1t60 s ARG 10 Cb -0.13 -1.10 0.01 0.00 -1.56 0.00 0.00 34.95 32.17 1t60 s ARG 10 CO 0.03 0.28 -0.20 -1.01 -0.81 0.00 0.00 175.30 173.58 1t60 s HIS 11 N -0.83 2.39 0.16 5.12 3.76 -1.26 -0.74 115.29 123.88 1t60 s HIS 11 Ca 0.03 -1.10 0.07 0.00 -0.15 0.00 0.00 55.06 53.92 1t60 s HIS 11 Cb -0.08 -1.64 -0.06 0.00 1.11 0.00 0.00 32.58 31.91 1t60 s HIS 11 CO 0.01 -0.50 1.36 0.66 -0.85 0.00 0.00 174.74 175.43 1t60 h SER 12 N 7.13 0.02 -1.26 1.40 4.64 -1.18 -3.47 113.55 120.83 1t60 h SER 12 Ca -0.28 -0.02 -0.29 0.00 -0.47 0.00 0.00 61.79 60.74 1t60 h SER 12 Cb 1.20 -0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 63.21 1t60 h SER 12 CO 0.51 0.91 -0.31 0.00 -0.87 0.00 0.00 176.83 177.07 1t60 n GLN 13 N -3.48 -1.06 -3.98 4.77 6.02 -1.26 -4.95 117.38 113.45 1t60 n GLN 13 Ca -0.01 0.87 -0.15 0.00 -0.01 0.00 0.00 57.00 57.70 1t60 n GLN 13 Cb 0.86 -5.06 -0.04 0.00 1.02 0.00 0.00 30.24 27.02 1t60 n GLN 13 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1t60 n THR 14 N -3.19 0.00 1.47 5.09 -2.24 -1.26 -4.09 114.28 110.06 1t60 n THR 14 Ca -0.15 -1.86 0.14 0.00 -2.27 0.00 0.00 64.05 59.91 1t60 n THR 14 Cb 0.54 1.10 0.64 0.00 -2.10 0.00 0.00 70.33 70.51 1t60 n THR 14 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1t60 n THR 15 N -0.58 0.00 -3.44 4.28 -2.24 -1.26 -1.41 114.28 109.64 1t60 n THR 15 Ca 0.02 -0.07 -0.38 0.00 -2.27 0.00 0.00 64.05 61.35 1t60 n THR 15 Cb 0.58 -0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 1t60 n THR 15 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1t60 s ASP 16 N -2.39 6.88 0.15 3.42 1.01 -1.26 -4.81 116.67 119.67 1t60 s ASP 16 Ca 0.32 1.05 -0.31 0.00 0.71 0.00 0.00 52.55 54.31 1t60 s ASP 16 Cb 0.20 -2.28 -0.10 0.00 1.01 0.00 0.00 42.92 41.75 1t60 s ASP 16 CO 0.45 0.31 1.58 -1.81 0.21 0.00 0.00 175.17 175.91 1t60 s ASP 17 N -1.08 6.59 0.57 0.27 -0.00 -1.26 -4.55 116.67 117.21 1t60 s ASP 17 Ca 0.25 2.59 -0.16 0.00 -0.00 0.00 0.00 52.55 55.23 1t60 s ASP 17 Cb -0.17 -2.59 -0.05 0.00 -0.00 0.00 0.00 42.92 40.11 1t60 s ASP 17 CO 0.15 -0.83 1.04 -2.16 -0.00 0.00 0.00 175.17 173.37 1t60 s PRO 18 N 1.36 3.48 0.16 8.23 0.04 -1.26 -5.03 135.00 141.98 1t60 s PRO 18 Ca 0.70 1.17 -0.21 0.00 0.04 0.00 0.00 61.00 62.70 1t60 s PRO 18 Cb -0.43 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 31.97 1t60 s PRO 18 CO 0.31 -0.67 0.69 -0.65 0.04 0.00 0.00 177.00 176.72 1t60 s GLN 19 N -4.01 4.33 0.41 4.56 -1.52 -1.26 -4.71 119.66 117.46 1t60 s GLN 19 Ca 0.63 0.91 -0.26 0.00 -1.95 0.00 0.00 55.36 54.69 1t60 s GLN 19 Cb -0.15 -3.10 -0.08 0.00 -0.22 0.00 0.00 33.01 29.45 1t60 s GLN 19 CO 0.34 0.52 1.26 0.00 -0.25 0.00 0.00 175.29 177.17 1t60 s PRO 21 N -2.27 0.82 0.40 0.00 0.04 -1.26 -4.90 135.00 127.83 1t60 s PRO 21 Ca 0.57 0.86 -0.26 0.00 0.04 0.00 0.00 61.00 62.21 1t60 s PRO 21 Cb -0.36 -1.76 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 1t60 s PRO 21 CO 0.46 -2.55 1.23 -2.30 0.04 0.00 0.00 177.00 173.87 1t60 n PRO 22 N -4.10 1.86 -0.75 0.56 -0.02 -1.26 -2.17 135.00 129.12 1t60 n PRO 22 Ca 0.07 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1t60 n PRO 22 Cb 0.55 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1t60 n PRO 22 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t60 n GLY 23 N 0.87 1.17 3.43 -1.23 0.00 -1.26 -5.03 105.19 103.15 1t60 n GLY 23 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1t60 n GLY 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t60 s THR 24 N -3.62 2.43 -0.09 2.61 -4.23 -0.92 -4.31 115.64 107.51 1t60 s THR 24 Ca 0.00 -1.91 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 1t60 s THR 24 Cb 0.00 -2.14 -0.02 0.00 1.34 0.00 0.00 72.50 71.68 1t60 s THR 24 CO 0.00 -0.05 -0.14 -0.54 -0.54 0.00 0.00 174.62 173.35 1t60 s LYS 25 N -2.51 2.91 0.39 3.99 3.01 -0.41 -4.78 119.74 122.34 1t60 s LYS 25 Ca 0.19 -0.69 -0.27 0.00 -1.01 0.00 0.00 55.97 54.19 1t60 s LYS 25 Cb -0.09 -2.50 -0.10 0.00 -1.01 0.00 0.00 37.83 34.14 1t60 s LYS 25 CO 0.09 0.44 1.43 -1.50 0.51 0.00 0.00 175.35 176.32 1t60 s ILE 26 N -0.24 2.21 -0.14 2.17 1.10 -1.26 0.05 121.20 125.09 1t60 s ILE 26 Ca 0.01 0.21 -0.07 0.00 -0.51 0.00 0.00 60.65 60.29 1t60 s ILE 26 Cb -0.13 -3.13 -0.06 0.00 0.15 0.00 0.00 42.46 39.29 1t60 s ILE 26 CO 0.03 0.04 -0.18 0.18 -2.11 0.00 0.00 174.94 172.91 1t60 n LEU 27 N 0.34 0.97 -3.55 8.50 4.77 0.83 -4.79 117.00 124.07 1t60 n LEU 27 Ca 0.02 0.17 -0.07 0.00 -0.03 0.00 0.00 56.01 56.09 1t60 n LEU 27 Cb 0.41 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1t60 n LEU 27 CO 0.61 0.27 0.82 -0.72 -1.33 0.00 0.00 177.39 177.04 1t60 s TYR 28 N -2.25 -0.28 0.28 -1.77 -0.85 -1.15 -5.02 117.35 106.31 1t60 s TYR 28 Ca -0.19 0.26 0.08 0.00 -0.52 0.00 0.00 57.07 56.70 1t60 s TYR 28 Cb 0.07 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.89 1t60 s TYR 28 CO 0.24 -0.38 0.16 -1.01 -1.52 0.00 0.00 175.55 173.04 1t60 s HIS 29 N -2.40 2.93 0.00 -3.49 3.76 -1.26 -1.49 115.29 113.34 1t60 s HIS 29 Ca 0.05 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.76 1t60 s HIS 29 Cb -0.01 -1.45 0.00 0.00 1.11 0.00 0.00 32.58 32.23 1t60 s HIS 29 CO -0.05 0.46 0.00 0.41 -0.85 0.00 0.00 174.74 174.71 1t60 n GLY 30 N -1.14 1.72 3.66 -2.22 0.00 -0.62 -4.54 105.19 102.04 1t60 n GLY 30 Ca -0.06 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 1t60 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t60 s TYR 31 N -2.21 3.01 -0.70 1.61 1.51 0.12 -1.35 117.35 119.34 1t60 s TYR 31 Ca 0.00 0.03 -0.27 0.00 -1.01 0.00 0.00 57.07 55.82 1t60 s TYR 31 Cb 0.00 -1.62 0.02 0.00 -0.11 0.00 0.00 41.96 40.24 1t60 s TYR 31 CO 0.00 0.44 1.44 -1.12 -1.11 0.00 0.00 175.55 175.20 1t60 s SER 32 N -1.70 5.92 -0.18 2.29 0.01 -0.53 -1.61 113.70 117.91 1t60 s SER 32 Ca 0.20 -0.21 -0.21 0.00 1.31 0.00 0.00 55.95 57.04 1t60 s SER 32 Cb -0.11 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.54 1t60 s SER 32 CO 0.11 -1.98 0.65 -0.22 0.41 0.00 0.00 173.24 172.22 1t60 s LEU 33 N 6.64 4.17 -0.18 2.44 2.96 0.30 -1.43 118.68 133.58 1t60 s LEU 33 Ca 0.44 0.90 -0.17 0.00 -0.22 0.00 0.00 54.13 55.08 1t60 s LEU 33 Cb -0.09 -2.93 -0.14 0.00 0.50 0.00 0.00 46.19 43.52 1t60 s LEU 33 CO 0.17 -0.25 0.12 0.25 -1.32 0.00 0.00 176.35 175.31 1t60 h LEU 34 N 7.97 0.00 -7.47 -0.68 5.85 -0.73 -3.41 115.31 116.83 1t60 h LEU 34 Ca -0.33 -0.36 0.21 0.00 0.84 0.00 0.00 57.88 58.24 1t60 h LEU 34 Cb 1.15 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.08 1t60 h LEU 34 CO 0.78 1.21 0.58 -0.72 -0.34 0.00 0.00 178.44 179.95 1t60 s TYR 35 N -2.29 -0.13 0.33 1.25 1.13 -1.04 -2.84 117.35 113.76 1t60 s TYR 35 Ca -0.23 -0.10 0.06 0.00 -1.41 0.00 0.00 57.07 55.39 1t60 s TYR 35 Cb 0.04 0.60 -0.07 0.00 -1.10 0.00 0.00 41.96 41.44 1t60 s TYR 35 CO 0.46 -0.65 -0.01 0.14 -2.51 0.00 0.00 175.55 172.98 1t60 s VAL 36 N -3.03 1.69 -0.18 -3.49 -7.23 -0.55 0.46 120.40 108.07 1t60 s VAL 36 Ca 0.12 -2.07 -0.05 0.00 -1.81 0.00 0.00 61.98 58.17 1t60 s VAL 36 Cb 0.00 -2.71 0.07 0.00 0.56 0.00 0.00 36.38 34.30 1t60 s VAL 36 CO -0.01 -0.13 0.12 -1.58 -0.31 0.00 0.00 175.10 173.20 1t60 s GLN 37 N -3.75 0.10 -0.11 4.82 0.74 -0.43 -0.97 119.66 120.06 1t60 s GLN 37 Ca 0.33 -0.04 0.02 0.00 0.05 0.00 0.00 55.36 55.73 1t60 s GLN 37 Cb 0.07 -1.66 -0.01 0.00 1.10 0.00 0.00 33.01 32.51 1t60 s GLN 37 CO 0.15 -0.69 -0.19 0.20 -0.55 0.00 0.00 175.29 174.22 1t60 s GLY 38 N 2.18 1.43 -1.53 2.59 0.00 -0.24 -1.48 107.32 110.28 1t60 s GLY 38 Ca 0.03 -0.94 -0.10 0.00 0.00 0.00 0.00 44.72 43.71 1t60 s GLY 38 CO -0.11 -0.32 0.77 -2.01 0.00 0.00 0.00 173.10 171.43 1t60 n ASN 39 N 3.41 -2.94 0.00 1.64 5.15 -1.26 -1.04 115.26 120.22 1t60 n ASN 39 Ca -0.18 -0.90 0.00 0.00 -0.60 0.00 0.00 54.58 52.90 1t60 n ASN 39 Cb 0.53 -3.41 0.00 0.00 -0.53 0.00 0.00 39.78 36.37 1t60 n ASN 39 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1t60 n GLU 40 N -4.49 -1.04 -4.51 1.20 1.02 -1.26 -5.00 120.64 106.56 1t60 n GLU 40 Ca -0.07 0.26 -0.33 0.00 -0.02 0.00 0.00 57.16 57.00 1t60 n GLU 40 Cb 0.57 -4.07 -0.13 0.00 -0.02 0.00 0.00 31.44 27.79 1t60 n GLU 40 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1t60 s ARG 41 N -1.07 3.58 0.29 3.49 3.52 -0.21 -5.02 118.95 123.53 1t60 s ARG 41 Ca 0.00 -0.57 -0.19 0.00 -0.13 0.00 0.00 55.73 54.83 1t60 s ARG 41 Cb 0.00 -2.83 -0.09 0.00 -1.56 0.00 0.00 34.95 30.47 1t60 s ARG 41 CO 0.00 0.22 0.79 0.00 -0.81 0.00 0.00 175.30 175.50 1t60 s ALA 42 N 0.38 3.31 -0.19 6.12 0.00 -1.26 -1.08 121.76 129.04 1t60 s ALA 42 Ca -0.06 0.21 -0.04 0.00 0.00 0.00 0.00 51.96 52.07 1t60 s ALA 42 Cb -0.15 -2.90 0.09 0.00 0.00 0.00 0.00 23.12 20.16 1t60 s ALA 42 CO 0.04 0.28 0.28 -1.58 0.00 0.00 0.00 175.76 174.78 1t60 s HIS 43 N -1.75 -0.47 0.46 0.00 2.46 -0.14 -4.97 115.29 110.87 1t60 s HIS 43 Ca 0.50 0.65 0.08 0.00 0.47 0.00 0.00 55.06 56.76 1t60 s HIS 43 Cb -0.14 -0.15 0.03 0.00 -0.13 0.00 0.00 32.58 32.19 1t60 s HIS 43 CO 0.19 -0.55 0.64 0.20 -2.47 0.00 0.00 174.74 172.75 1t60 s GLY 44 N 2.42 1.89 -0.17 1.59 0.00 -1.26 -1.48 107.32 110.30 1t60 s GLY 44 Ca 0.06 -1.79 -0.00 0.00 0.00 0.00 0.00 44.72 42.99 1t60 s GLY 44 CO -0.12 -1.53 -0.07 1.20 0.00 0.00 0.00 173.10 172.58 1t60 s GLN 45 N -4.45 1.65 0.05 2.90 -1.52 -1.13 -4.98 119.66 112.18 1t60 s GLN 45 Ca 0.57 -0.61 -0.36 0.00 -1.95 0.00 0.00 55.36 53.01 1t60 s GLN 45 Cb -0.09 -2.13 -0.15 0.00 -0.22 0.00 0.00 33.01 30.42 1t60 s GLN 45 CO 0.35 -0.42 1.56 -3.47 -0.25 0.00 0.00 175.29 173.06 1t60 n ASP 46 N 4.81 2.56 0.08 5.90 -0.08 -1.26 -4.55 116.55 124.02 1t60 n ASP 46 Ca -0.13 1.08 0.05 0.00 -1.51 0.00 0.00 54.79 54.28 1t60 n ASP 46 Cb 0.47 -1.30 0.29 0.00 2.34 0.00 0.00 41.12 42.92 1t60 n ASP 46 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1t60 n LEU 47 N 3.81 0.27 -0.38 -2.67 4.77 -1.26 -0.70 117.00 120.83 1t60 n LEU 47 Ca 0.19 0.62 0.13 0.00 -0.03 0.00 0.00 56.01 56.92 1t60 n LEU 47 Cb 0.24 -0.65 0.35 0.00 -2.33 0.00 0.00 43.42 41.02 1t60 n LEU 47 CO 0.66 -0.71 0.66 0.61 -1.33 0.00 0.00 177.39 177.28 1t60 n GLY 48 N -1.39 -0.27 3.65 -0.72 0.00 -1.26 -4.41 105.19 100.79 1t60 n GLY 48 Ca -0.01 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 1t60 n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t60 s THR 49 N -2.34 3.43 0.53 2.61 -4.23 0.12 -4.01 115.64 111.75 1t60 s THR 49 Ca 0.27 -1.89 0.42 0.00 -1.18 0.00 0.00 61.69 59.31 1t60 s THR 49 Cb 0.20 -2.87 0.43 0.00 1.34 0.00 0.00 72.50 71.60 1t60 s THR 49 CO 0.47 -0.36 2.28 0.00 -0.54 0.00 0.00 174.62 176.47 1t60 h ALA 50 N 1.85 1.00 0.00 3.99 0.00 -1.91 -2.06 119.26 122.13 1t60 h ALA 50 Ca -0.44 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1t60 h ALA 50 Cb 1.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1t60 h ALA 50 CO 0.61 0.00 -0.01 0.78 0.00 0.00 0.00 179.25 180.63 1t60 h GLY 51 N 0.46 0.00 -0.41 0.00 0.00 -1.94 -0.81 103.07 100.36 1t60 h GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t60 h GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t60 n SER 52 N -3.14 1.23 -3.96 0.19 3.41 -0.77 -4.65 113.62 105.93 1t60 n SER 52 Ca -0.01 -1.60 -0.31 0.00 -0.26 0.00 0.00 58.87 56.69 1t60 n SER 52 Cb 0.18 -0.07 -0.15 0.00 -0.26 0.00 0.00 64.21 63.91 1t60 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 s LEU 54 N 1.21 4.03 0.49 0.00 1.43 -0.63 -4.85 118.68 120.36 1t60 s LEU 54 Ca 0.01 0.25 0.18 0.00 -1.03 0.00 0.00 54.13 53.55 1t60 s LEU 54 Cb -0.19 -1.99 1.23 0.00 0.03 0.00 0.00 46.19 45.27 1t60 s LEU 54 CO -0.09 0.30 2.07 0.03 0.23 0.00 0.00 176.35 178.89 1t60 h ARG 55 N 5.78 0.00 -5.38 1.70 3.08 -1.88 0.34 114.38 118.02 1t60 h ARG 55 Ca -0.47 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.10 1t60 h ARG 55 Cb 1.19 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 30.96 1t60 h ARG 55 CO 0.64 0.11 -0.81 0.15 -1.07 0.00 0.00 179.97 178.99 1t60 s LYS 56 N -4.68 1.13 0.16 0.04 1.02 -1.26 -4.73 119.74 111.42 1t60 s LYS 56 Ca -0.04 -0.61 -0.03 0.00 0.02 0.00 0.00 55.97 55.32 1t60 s LYS 56 Cb 0.16 -1.11 -0.05 0.00 -0.52 0.00 0.00 37.83 36.30 1t60 s LYS 56 CO 0.66 0.30 0.36 0.12 -0.92 0.00 0.00 175.35 175.86 1t60 s PHE 57 N -0.50 3.48 -0.27 3.18 5.36 -1.26 -4.89 117.98 123.09 1t60 s PHE 57 Ca 0.05 0.43 -0.26 0.00 -0.96 0.00 0.00 56.93 56.19 1t60 s PHE 57 Cb -0.06 -1.91 0.13 0.00 -0.34 0.00 0.00 43.02 40.84 1t60 s PHE 57 CO 0.00 0.43 1.09 0.45 -1.46 0.00 0.00 175.22 175.73 1t60 s SER 58 N -2.73 -0.38 0.46 6.13 0.15 -1.26 -5.01 113.70 111.07 1t60 s SER 58 Ca 0.39 0.69 0.31 0.00 0.70 0.00 0.00 55.95 58.05 1t60 s SER 58 Cb -0.12 0.69 1.38 0.00 -1.71 0.00 0.00 66.02 66.26 1t60 s SER 58 CO 0.27 -0.15 1.93 0.71 1.20 0.00 0.00 173.24 177.20 1t60 h THR 59 N 3.39 0.00 -2.26 6.45 1.35 -1.95 -3.31 112.91 116.58 1t60 h THR 59 Ca -0.27 -0.33 -0.55 0.00 -0.55 0.00 0.00 66.41 64.72 1t60 h THR 59 Cb 1.18 1.21 -0.36 0.00 -1.73 0.00 0.00 68.15 68.44 1t60 h THR 59 CO 0.14 0.00 -0.93 -0.32 -0.25 0.00 0.00 175.52 174.16 1t60 s MET 60 N -3.62 0.88 0.00 4.72 -2.45 -1.26 -4.06 119.30 113.52 1t60 s MET 60 Ca 0.01 -1.95 0.00 0.00 -1.25 0.00 0.00 55.69 52.50 1t60 s MET 60 Cb 0.09 -1.28 0.00 0.00 1.25 0.00 0.00 34.83 34.89 1t60 s MET 60 CO 0.46 -1.37 0.83 -0.35 1.05 0.00 0.00 175.02 175.64 1t60 n PRO 61 N 2.96 0.99 -4.03 4.11 -0.04 -1.25 -4.87 135.00 132.88 1t60 n PRO 61 Ca 0.27 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.64 1t60 n PRO 61 Cb 0.48 -1.16 -0.07 0.00 -0.04 0.00 0.00 33.50 32.71 1t60 n PRO 61 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t60 s PHE 62 N -1.68 0.52 0.26 0.54 -0.71 -1.26 -5.09 117.98 110.56 1t60 s PHE 62 Ca 0.00 -0.85 0.03 0.00 -1.04 0.00 0.00 56.93 55.06 1t60 s PHE 62 Cb 0.00 -0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.76 1t60 s PHE 62 CO 0.00 -0.86 0.20 -0.48 -1.34 0.00 0.00 175.22 172.74 1t60 s LEU 63 N -3.03 1.43 0.11 -1.99 0.05 -1.26 -4.62 118.68 109.36 1t60 s LEU 63 Ca 0.24 -1.56 0.04 0.00 0.05 0.00 0.00 54.13 52.90 1t60 s LEU 63 Cb 0.02 0.46 -0.04 0.00 -2.05 0.00 0.00 46.19 44.58 1t60 s LEU 63 CO 0.07 -0.94 -0.11 0.72 -0.55 0.00 0.00 176.35 175.55 1t60 s PHE 64 N -3.83 1.14 0.06 3.48 -0.12 -1.04 -5.00 117.98 112.68 1t60 s PHE 64 Ca 0.40 -0.66 0.05 0.00 -0.05 0.00 0.00 56.93 56.67 1t60 s PHE 64 Cb 0.05 -0.61 -0.03 0.00 -0.63 0.00 0.00 43.02 41.80 1t60 s PHE 64 CO 0.19 0.03 -0.14 0.00 -0.05 0.00 0.00 175.22 175.25 1t60 s ASN 66 N -1.54 4.69 0.31 0.00 2.20 -0.49 -4.96 114.94 115.15 1t60 s ASN 66 Ca -0.00 -1.21 0.24 0.00 -0.94 0.00 0.00 52.86 50.94 1t60 s ASN 66 Cb -0.09 0.49 1.13 0.00 -2.00 0.00 0.00 41.25 40.78 1t60 s ASN 66 CO 0.02 -1.20 1.72 0.16 -2.94 0.00 0.00 177.10 174.86 1t60 h ILE 67 N 0.60 0.00 -0.46 0.54 -0.00 -2.02 -0.75 117.51 115.42 1t60 h ILE 67 Ca -0.35 -0.13 0.00 0.00 -0.00 0.00 0.00 64.86 64.38 1t60 h ILE 67 Cb 1.30 0.77 0.00 0.00 -0.00 0.00 0.00 36.82 38.89 1t60 h ILE 67 CO 0.54 0.00 0.00 0.59 -0.00 0.00 0.00 178.15 179.28 1t60 n ASN 68 N -2.31 2.99 -3.66 2.16 3.02 -1.26 -4.91 115.26 111.29 1t60 n ASN 68 Ca 0.00 -2.16 -0.25 0.00 -0.03 0.00 0.00 54.58 52.14 1t60 n ASN 68 Cb 0.14 -0.40 0.07 0.00 -0.61 0.00 0.00 39.78 38.98 1t60 n ASN 68 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1t60 n ASN 69 N 0.79 -5.89 -4.17 6.41 2.85 -0.29 -5.00 115.26 109.97 1t60 n ASN 69 Ca 0.17 -0.59 -0.31 0.00 -0.11 0.00 0.00 54.58 53.73 1t60 n ASN 69 Cb 0.53 -4.81 -0.17 0.00 1.24 0.00 0.00 39.78 36.58 1t60 n ASN 69 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1t60 s VAL 70 N -3.32 1.93 0.10 3.44 1.01 -1.25 -4.93 120.40 117.37 1t60 s VAL 70 Ca 0.58 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1t60 s VAL 70 Cb -0.26 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1t60 s VAL 70 CO 0.75 0.53 0.02 0.00 0.00 0.00 0.00 175.10 176.40 1t60 s ASN 72 N -2.41 2.11 -0.14 0.00 0.01 -0.08 -4.99 114.94 109.45 1t60 s ASN 72 Ca 0.27 -0.34 0.01 0.00 -0.71 0.00 0.00 52.86 52.09 1t60 s ASN 72 Cb -0.12 -0.42 0.02 0.00 0.41 0.00 0.00 41.25 41.14 1t60 s ASN 72 CO 0.19 0.18 -0.16 0.12 -1.51 0.00 0.00 177.10 175.93 1t60 s PHE 73 N -0.18 2.24 -1.45 2.20 5.36 -1.26 -2.48 117.98 122.41 1t60 s PHE 73 Ca 0.01 -1.20 0.00 0.00 -0.96 0.00 0.00 56.93 54.78 1t60 s PHE 73 Cb -0.09 -1.61 0.00 0.00 -0.34 0.00 0.00 43.02 40.98 1t60 s PHE 73 CO 0.01 -0.63 0.00 0.00 -1.46 0.00 0.00 175.22 173.14 1t60 n ALA 74 N 4.52 -0.30 0.01 11.12 0.00 -1.26 -4.82 120.51 129.78 1t60 n ALA 74 Ca -0.18 0.21 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 1t60 n ALA 74 Cb 0.51 -1.50 -0.10 0.00 0.00 0.00 0.00 19.45 18.36 1t60 n ALA 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t60 n SER 75 N -0.80 0.73 -0.00 0.00 7.64 -1.26 -4.69 113.62 115.24 1t60 n SER 75 Ca -0.14 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1t60 n SER 75 Cb 0.49 0.33 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 1t60 n SER 75 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1t60 n ARG 76 N -2.85 3.05 -3.24 1.43 0.63 -1.26 -5.06 116.66 109.36 1t60 n ARG 76 Ca -0.12 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.56 1t60 n ARG 76 Cb 0.87 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.71 1t60 n ARG 76 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1t60 n ASN 77 N 0.00 2.47 -4.91 6.15 4.13 -1.26 -4.86 115.26 116.97 1t60 n ASN 77 Ca 0.00 -3.21 -0.20 0.00 1.68 0.00 0.00 54.58 52.85 1t60 n ASN 77 Cb 0.00 -0.64 -0.02 0.00 -1.54 0.00 0.00 39.78 37.58 1t60 n ASN 77 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1t60 s ASP 78 N -2.27 5.48 0.24 6.41 -0.00 -1.26 -4.85 116.67 120.41 1t60 s ASP 78 Ca 0.40 -0.45 0.03 0.00 -0.00 0.00 0.00 52.55 52.54 1t60 s ASP 78 Cb 0.20 -0.93 -0.05 0.00 -0.00 0.00 0.00 42.92 42.14 1t60 s ASP 78 CO -0.07 -0.48 0.00 -0.31 -0.00 0.00 0.00 175.17 174.31 1t60 s TYR 79 N -2.31 1.59 -0.05 4.23 1.51 -0.55 -2.58 117.35 119.19 1t60 s TYR 79 Ca 0.45 -0.93 -0.05 0.00 -1.01 0.00 0.00 57.07 55.53 1t60 s TYR 79 Cb -0.07 -0.93 0.01 0.00 -0.11 0.00 0.00 41.96 40.87 1t60 s TYR 79 CO 0.29 -0.04 0.14 -1.54 -1.11 0.00 0.00 175.55 173.28 1t60 s SER 80 N -3.32 -0.14 -0.04 2.29 1.04 -0.80 -1.32 113.70 111.42 1t60 s SER 80 Ca 0.29 0.27 0.05 0.00 0.48 0.00 0.00 55.95 57.04 1t60 s SER 80 Cb 0.06 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 1t60 s SER 80 CO 0.09 -0.05 -0.18 -0.31 0.98 0.00 0.00 173.24 173.78 1t60 s TYR 81 N 0.08 1.74 0.05 5.02 2.02 0.17 -1.38 117.35 125.05 1t60 s TYR 81 Ca -0.00 -0.46 0.04 0.00 -0.37 0.00 0.00 57.07 56.28 1t60 s TYR 81 Cb -0.01 -1.16 -0.02 0.00 -0.40 0.00 0.00 41.96 40.36 1t60 s TYR 81 CO 0.00 -0.14 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.14 1t60 s TRP 82 N -0.08 1.08 0.42 2.71 0.52 -1.09 -0.02 118.94 122.48 1t60 s TRP 82 Ca -0.01 -0.40 -0.26 0.00 0.02 0.00 0.00 56.10 55.45 1t60 s TRP 82 Cb -0.11 -0.63 -0.09 0.00 -1.15 0.00 0.00 33.47 31.50 1t60 s TRP 82 CO 0.02 0.02 1.34 -0.51 0.02 0.00 0.00 176.95 177.83 1t60 s LEU 83 N -1.38 4.18 0.50 2.99 1.43 -0.51 -1.00 118.68 124.89 1t60 s LEU 83 Ca -0.02 2.72 0.05 0.00 -1.03 0.00 0.00 54.13 55.86 1t60 s LEU 83 Cb -0.09 -3.92 0.01 0.00 0.03 0.00 0.00 46.19 42.23 1t60 s LEU 83 CO 0.01 -0.94 0.31 -0.94 0.23 0.00 0.00 176.35 175.02 1t60 s SER 84 N -0.68 4.57 0.52 2.29 1.04 0.59 -1.18 113.70 120.84 1t60 s SER 84 Ca 0.58 -1.22 0.07 0.00 0.48 0.00 0.00 55.95 55.86 1t60 s SER 84 Cb -0.39 0.18 0.07 0.00 0.10 0.00 0.00 66.02 65.97 1t60 s SER 84 CO 0.51 -0.93 0.60 0.35 0.98 0.00 0.00 173.24 174.75 1t60 n THR 85 N -1.58 0.00 1.31 2.02 -2.24 -0.71 -4.50 114.28 108.58 1t60 n THR 85 Ca -0.03 -1.84 0.13 0.00 -2.27 0.00 0.00 64.05 60.04 1t60 n THR 85 Cb 0.64 -0.38 0.68 0.00 -2.10 0.00 0.00 70.33 69.17 1t60 n THR 85 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1t60 n PRO 86 N -1.97 0.46 -1.72 -0.78 -0.02 -1.26 -4.86 135.00 124.84 1t60 n PRO 86 Ca 0.09 0.03 -0.60 0.00 -2.02 0.00 0.00 63.50 61.00 1t60 n PRO 86 Cb 0.55 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.45 1t60 n PRO 86 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1t60 n GLU 87 N -1.23 0.85 -1.84 -0.52 4.07 -1.26 -4.87 120.64 115.84 1t60 n GLU 87 Ca 0.14 0.31 -0.39 0.00 -0.06 0.00 0.00 57.16 57.16 1t60 n GLU 87 Cb 0.18 -1.95 0.02 0.00 -0.06 0.00 0.00 31.44 29.64 1t60 n GLU 87 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 1t60 s PRO 88 N 3.32 3.54 0.09 5.31 0.02 -1.26 -4.98 135.00 141.04 1t60 s PRO 88 Ca 1.00 2.30 -0.30 0.00 0.02 0.00 0.00 61.00 64.01 1t60 s PRO 88 Cb -1.18 -2.52 -0.05 0.00 0.02 0.00 0.00 34.50 30.77 1t60 s PRO 88 CO 0.69 -0.89 0.99 1.41 -0.33 0.00 0.00 177.00 178.87 1t60 s MET 89 N -2.59 4.65 0.44 5.54 1.75 -1.26 -4.99 119.30 122.83 1t60 s MET 89 Ca 0.64 1.49 -0.22 0.00 -1.25 0.00 0.00 55.69 56.35 1t60 s MET 89 Cb -0.41 -3.38 -0.12 0.00 2.84 0.00 0.00 34.83 33.75 1t60 s MET 89 CO 0.52 0.12 0.50 -2.30 -0.65 0.00 0.00 175.02 173.21 1t60 n PRO 90 N 3.02 0.52 0.24 4.11 -0.02 -1.26 -4.85 135.00 136.76 1t60 n PRO 90 Ca 0.03 0.19 0.10 0.00 -2.02 0.00 0.00 63.50 61.80 1t60 n PRO 90 Cb 0.49 -1.49 0.63 0.00 -0.02 0.00 0.00 33.50 33.11 1t60 n PRO 90 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1t60 h MET 91 N 0.69 0.00 0.00 -0.52 4.05 -1.98 -2.15 114.93 115.03 1t60 h MET 91 Ca -0.41 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 58.98 1t60 h MET 91 Cb 1.40 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.20 1t60 h MET 91 CO 0.50 0.17 -0.14 0.66 0.23 0.00 0.00 176.91 178.33 1t60 h SER 92 N 0.00 0.00 -0.25 1.39 4.64 -2.04 -3.46 113.55 113.83 1t60 h SER 92 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1t60 h SER 92 Cb 0.38 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.43 1t60 h SER 92 CO 0.02 0.14 -0.10 0.23 -0.87 0.00 0.00 176.83 176.25 1t60 n MET 93 N -3.22 -1.07 -2.67 4.77 0.00 -0.81 -5.00 117.12 109.13 1t60 n MET 93 Ca 0.01 0.57 -0.30 0.00 0.00 0.00 0.00 57.70 57.99 1t60 n MET 93 Cb 0.44 -4.53 -0.02 0.00 0.00 0.00 0.00 33.22 29.11 1t60 n MET 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1t60 s ALA 94 N -1.85 3.31 0.61 3.04 0.00 -1.26 -4.99 121.76 120.62 1t60 s ALA 94 Ca 0.00 -0.22 -0.18 0.00 0.00 0.00 0.00 51.96 51.56 1t60 s ALA 94 Cb 0.00 -2.76 -0.06 0.00 0.00 0.00 0.00 23.12 20.30 1t60 s ALA 94 CO 0.00 -0.17 0.75 -2.30 0.00 0.00 0.00 175.76 174.03 1t60 n PRO 95 N -1.68 0.66 -3.93 0.00 -0.02 -1.26 -4.89 135.00 123.88 1t60 n PRO 95 Ca 0.03 0.26 -0.36 0.00 -2.02 0.00 0.00 63.50 61.41 1t60 n PRO 95 Cb 0.54 -1.95 -0.06 0.00 -0.02 0.00 0.00 33.50 32.01 1t60 n PRO 95 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1t60 s ILE 96 N -1.64 5.38 0.14 4.25 1.01 0.86 -4.89 121.20 126.30 1t60 s ILE 96 Ca 0.72 0.07 0.02 0.00 0.00 0.00 0.00 60.65 61.46 1t60 s ILE 96 Cb -0.42 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1t60 s ILE 96 CO 0.51 0.54 -0.03 0.42 0.00 0.00 0.00 174.94 176.38 1t60 s THR 97 N -1.09 0.71 0.00 2.92 -4.23 -1.26 -1.35 115.64 111.33 1t60 s THR 97 Ca 0.18 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 1t60 s THR 97 Cb -0.12 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.79 1t60 s THR 97 CO 0.07 -0.65 0.00 0.61 -0.54 0.00 0.00 174.62 174.12 1t60 n GLY 98 N -0.16 1.25 0.49 3.99 0.00 -1.26 -2.04 105.19 107.47 1t60 n GLY 98 Ca -0.09 -0.47 0.29 0.00 0.00 0.00 0.00 46.02 45.75 1t60 n GLY 98 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1t60 h GLU 99 N 0.00 0.00 0.00 1.61 4.39 -1.99 0.17 114.58 118.76 1t60 h GLU 99 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1t60 h GLU 99 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1t60 h GLU 99 CO 0.00 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.94 1t60 n ASN 100 N -3.74 0.04 0.09 1.42 3.02 -0.86 -2.33 115.26 112.89 1t60 n ASN 100 Ca 0.20 0.51 -0.15 0.00 -0.03 0.00 0.00 54.58 55.11 1t60 n ASN 100 Cb 1.15 -0.52 -0.14 0.00 -0.61 0.00 0.00 39.78 39.67 1t60 n ASN 100 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1t60 h ILE 101 N 0.00 1.43 -0.89 2.41 2.04 -0.75 -3.38 117.51 118.37 1t60 h ILE 101 Ca 0.00 -3.03 0.23 0.00 1.00 0.00 0.00 64.86 63.05 1t60 h ILE 101 Cb 0.15 2.88 -0.16 0.00 -0.74 0.00 0.00 36.82 38.96 1t60 h ILE 101 CO 0.00 0.88 0.04 -0.09 0.00 0.00 0.00 178.15 178.98 1t60 h ARG 102 N 0.06 0.07 0.00 2.37 2.43 -1.64 0.60 114.38 118.28 1t60 h ARG 102 Ca -0.15 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1t60 h ARG 102 Cb 1.96 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.50 1t60 h ARG 102 CO 0.18 0.05 0.00 -2.30 -1.51 0.00 0.00 179.97 176.39 1t60 n PRO 103 N -5.40 0.05 0.00 0.20 -0.02 -1.26 -2.53 135.00 126.04 1t60 n PRO 103 Ca 0.19 0.46 0.10 0.00 -2.02 0.00 0.00 63.50 62.23 1t60 n PRO 103 Cb 0.63 -1.63 -0.05 0.00 -0.02 0.00 0.00 33.50 32.44 1t60 n PRO 103 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1t60 n PHE 104 N -1.72 0.01 -3.34 6.00 3.01 0.20 -4.52 117.46 117.11 1t60 n PHE 104 Ca 0.01 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.09 1t60 n PHE 104 Cb 0.07 -0.09 -0.07 0.00 -0.01 0.00 0.00 39.48 39.38 1t60 n PHE 104 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1t60 s ILE 105 N -3.04 5.17 0.58 4.37 -1.09 -1.05 -1.73 121.20 124.42 1t60 s ILE 105 Ca 0.08 0.82 -0.18 0.00 -2.23 0.00 0.00 60.65 59.13 1t60 s ILE 105 Cb 0.16 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 1t60 s ILE 105 CO 0.84 0.24 1.13 -0.55 -1.23 0.00 0.00 174.94 175.37 1t60 s SER 106 N 1.01 5.47 0.23 3.58 0.15 -0.32 -4.39 113.70 119.42 1t60 s SER 106 Ca 0.22 2.14 0.07 0.00 0.70 0.00 0.00 55.95 59.07 1t60 s SER 106 Cb -0.15 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.55 1t60 s SER 106 CO 0.09 -1.39 0.19 -0.13 1.20 0.00 0.00 173.24 173.19 1t60 s ARG 107 N -3.54 2.93 0.15 5.44 1.81 -0.50 -1.46 118.95 123.80 1t60 s ARG 107 Ca 0.71 -1.00 -0.04 0.00 -1.72 0.00 0.00 55.73 53.69 1t60 s ARG 107 Cb -0.23 -2.59 -0.03 0.00 -0.45 0.00 0.00 34.95 31.64 1t60 s ARG 107 CO 0.32 0.42 0.15 0.00 -0.68 0.00 0.00 175.30 175.51 1t60 s ALA 109 N -4.04 0.24 -0.20 0.00 0.00 0.08 -1.59 121.76 116.25 1t60 s ALA 109 Ca 0.24 -0.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.11 1t60 s ALA 109 Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 1t60 s ALA 109 CO 0.03 0.03 -0.06 0.08 0.00 0.00 0.00 175.76 175.84 1t60 s VAL 110 N 0.15 3.34 0.01 0.00 1.01 -0.56 -0.74 120.40 123.61 1t60 s VAL 110 Ca -0.01 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.51 1t60 s VAL 110 Cb -0.04 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1t60 s VAL 110 CO -0.00 0.45 -0.19 0.00 0.00 0.00 0.00 175.10 175.36 1t60 s GLU 112 N -0.73 4.59 0.29 0.00 2.12 0.11 0.22 118.70 125.29 1t60 s GLU 112 Ca 0.07 1.28 0.10 0.00 0.36 0.00 0.00 54.97 56.79 1t60 s GLU 112 Cb -0.08 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.87 1t60 s GLU 112 CO 0.00 0.17 -0.08 0.00 -0.54 0.00 0.00 175.26 174.81 1t60 s ALA 113 N 0.25 3.00 -0.50 6.30 0.00 -0.08 -1.29 121.76 129.45 1t60 s ALA 113 Ca 0.45 -1.80 0.24 0.00 0.00 0.00 0.00 51.96 50.84 1t60 s ALA 113 Cb -0.22 -0.49 0.40 0.00 0.00 0.00 0.00 23.12 22.81 1t60 s ALA 113 CO 0.26 0.23 1.52 -1.00 0.00 0.00 0.00 175.76 176.78 1t60 h PRO 114 N 2.03 0.00 -4.26 0.00 0.13 -1.86 -3.27 132.00 124.77 1t60 h PRO 114 Ca -0.42 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.46 1t60 h PRO 114 Cb 1.25 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.28 1t60 h PRO 114 CO 0.61 0.00 -0.32 0.00 -0.23 0.00 0.00 178.00 178.06 1t60 s ALA 115 N -3.20 0.82 0.58 -0.56 0.00 -1.26 -4.14 121.76 113.99 1t60 s ALA 115 Ca 0.06 -1.51 -0.19 0.00 0.00 0.00 0.00 51.96 50.32 1t60 s ALA 115 Cb 0.09 1.24 -0.04 0.00 0.00 0.00 0.00 23.12 24.41 1t60 s ALA 115 CO 0.68 -0.74 1.15 -1.64 0.00 0.00 0.00 175.76 175.22 1t60 s MET 116 N -3.58 3.15 0.08 0.00 -1.94 -1.26 -4.76 119.30 110.99 1t60 s MET 116 Ca 0.32 1.66 0.09 0.00 -1.71 0.00 0.00 55.69 56.05 1t60 s MET 116 Cb 0.02 -1.97 -0.03 0.00 2.01 0.00 0.00 34.83 34.85 1t60 s MET 116 CO 0.17 -1.03 -0.23 0.08 -0.01 0.00 0.00 175.02 174.01 1t60 s VAL 117 N -1.78 1.85 0.24 -6.03 1.01 -1.26 -1.69 120.40 112.75 1t60 s VAL 117 Ca 0.74 -1.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 1t60 s VAL 117 Cb -0.26 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1t60 s VAL 117 CO 0.31 0.10 0.33 0.00 0.00 0.00 0.00 175.10 175.84 1t60 s MET 118 N -1.63 1.47 0.00 2.72 0.23 0.84 -4.83 119.30 118.09 1t60 s MET 118 Ca 0.09 -1.50 0.06 0.00 -1.03 0.00 0.00 55.69 53.31 1t60 s MET 118 Cb -0.10 0.38 -0.02 0.00 -1.53 0.00 0.00 34.83 33.57 1t60 s MET 118 CO 0.04 -0.56 -0.18 0.00 -2.03 0.00 0.00 175.02 172.28 1t60 s ALA 119 N -3.93 1.53 0.07 3.16 0.00 -0.67 0.23 121.76 122.16 1t60 s ALA 119 Ca 0.31 -0.84 0.09 0.00 0.00 0.00 0.00 51.96 51.51 1t60 s ALA 119 Cb 0.02 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1t60 s ALA 119 CO 0.12 0.36 -0.24 0.14 0.00 0.00 0.00 175.76 176.15 1t60 s VAL 120 N -0.54 1.94 -0.04 0.00 -7.23 -0.22 -4.57 120.40 109.74 1t60 s VAL 120 Ca 0.07 -1.44 0.05 0.00 -1.81 0.00 0.00 61.98 58.85 1t60 s VAL 120 Cb -0.07 -1.70 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 1t60 s VAL 120 CO 0.00 0.18 -0.20 -1.00 -0.31 0.00 0.00 175.10 173.78 1t60 s HIS 121 N -0.92 1.95 -0.04 2.82 3.76 -1.26 -1.46 115.29 120.13 1t60 s HIS 121 Ca 0.10 -0.54 0.05 0.00 -0.15 0.00 0.00 55.06 54.51 1t60 s HIS 121 Cb -0.10 -1.29 -0.25 0.00 1.11 0.00 0.00 32.58 32.06 1t60 s HIS 121 CO 0.03 -0.17 0.68 0.66 -0.85 0.00 0.00 174.74 175.09 1t60 h SER 122 N 6.12 0.18 -1.52 1.40 4.64 -1.58 -3.48 113.55 119.31 1t60 h SER 122 Ca -0.33 -0.33 -0.25 0.00 -0.47 0.00 0.00 61.79 60.41 1t60 h SER 122 Cb 1.17 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.17 1t60 h SER 122 CO 0.48 1.29 -0.30 0.00 -0.87 0.00 0.00 176.83 177.43 1t60 n GLN 123 N -3.25 -0.95 -4.09 4.77 6.02 -1.26 -4.95 117.38 113.67 1t60 n GLN 123 Ca -0.19 0.66 -0.15 0.00 -0.01 0.00 0.00 57.00 57.30 1t60 n GLN 123 Cb 1.04 -4.81 -0.04 0.00 1.02 0.00 0.00 30.24 27.46 1t60 n GLN 123 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1t60 s THR 124 N -2.58 0.00 -1.72 5.09 -4.23 -1.26 -0.37 115.64 110.57 1t60 s THR 124 Ca 0.00 -1.59 0.30 0.00 -1.18 0.00 0.00 61.69 59.22 1t60 s THR 124 Cb 0.00 -2.68 0.59 0.00 1.34 0.00 0.00 72.50 71.74 1t60 s THR 124 CO 0.00 0.00 2.00 2.30 -0.54 0.00 0.00 174.62 178.38 1t60 n ILE 125 N -0.59 0.00 -2.65 2.99 -6.64 -1.26 -2.49 119.36 108.72 1t60 n ILE 125 Ca 0.01 -0.04 -0.28 0.00 -1.77 0.00 0.00 62.75 60.67 1t60 n ILE 125 Cb 0.61 -0.27 -0.00 0.00 -1.44 0.00 0.00 39.64 38.54 1t60 n ILE 125 CO 0.00 0.00 0.00 -1.10 -1.77 0.00 0.00 176.55 173.68 1t60 s GLN 126 N -2.36 3.57 -0.31 6.28 -0.21 -1.26 -4.85 119.66 120.52 1t60 s GLN 126 Ca 0.34 0.24 -0.21 0.00 0.02 0.00 0.00 55.36 55.75 1t60 s GLN 126 Cb 0.21 -2.37 -0.01 0.00 1.00 0.00 0.00 33.01 31.84 1t60 s GLN 126 CO 0.44 -0.19 0.66 0.42 -2.12 0.00 0.00 175.29 174.50 1t60 s ILE 127 N -2.70 4.90 0.26 1.08 -1.09 -1.26 -4.44 121.20 117.95 1t60 s ILE 127 Ca 0.48 0.90 -0.30 0.00 -2.23 0.00 0.00 60.65 59.50 1t60 s ILE 127 Cb -0.10 -4.04 -0.10 0.00 -1.58 0.00 0.00 42.46 36.63 1t60 s ILE 127 CO 0.43 -0.18 1.47 -2.16 -1.23 0.00 0.00 174.94 173.27 1t60 s PRO 128 N 2.69 4.23 0.40 2.79 0.04 -1.26 -4.97 135.00 138.92 1t60 s PRO 128 Ca 0.27 2.36 -0.17 0.00 0.04 0.00 0.00 61.00 63.50 1t60 s PRO 128 Cb -0.15 -3.09 -0.09 0.00 0.04 0.00 0.00 34.50 31.21 1t60 s PRO 128 CO 0.12 -0.46 0.85 1.14 0.04 0.00 0.00 177.00 178.70 1t60 s GLN 129 N -0.49 4.05 0.56 4.56 -2.07 -1.26 -4.58 119.66 120.43 1t60 s GLN 129 Ca 0.60 0.85 -0.18 0.00 -1.82 0.00 0.00 55.36 54.80 1t60 s GLN 129 Cb -0.43 -2.29 -0.05 0.00 -1.09 0.00 0.00 33.01 29.15 1t60 s GLN 129 CO 0.45 0.00 1.10 0.00 -1.32 0.00 0.00 175.29 175.53 1t60 s PRO 131 N -3.52 1.69 0.30 0.00 0.02 -1.26 -4.87 135.00 127.36 1t60 s PRO 131 Ca 0.70 1.42 -0.30 0.00 0.02 0.00 0.00 61.00 62.84 1t60 s PRO 131 Cb -0.21 -1.81 -0.12 0.00 0.02 0.00 0.00 34.50 32.37 1t60 s PRO 131 CO 0.30 -2.11 1.47 2.41 -0.33 0.00 0.00 177.00 178.74 1t60 n THR 132 N -3.73 1.34 -0.73 0.99 -1.04 -1.26 -1.13 114.28 108.72 1t60 n THR 132 Ca 0.11 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1t60 n THR 132 Cb 0.52 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.27 1t60 n THR 132 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1t60 n GLY 133 N 1.63 0.85 3.55 3.41 0.00 -1.26 -5.03 105.19 108.33 1t60 n GLY 133 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1t60 n GLY 133 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1t60 s TRP 134 N -3.36 2.63 0.02 1.61 0.52 -0.29 -3.06 118.94 117.01 1t60 s TRP 134 Ca 0.00 -0.22 0.08 0.00 0.02 0.00 0.00 56.10 55.99 1t60 s TRP 134 Cb 0.00 -1.34 -0.02 0.00 -1.15 0.00 0.00 33.47 30.96 1t60 s TRP 134 CO 0.00 0.46 -0.25 -1.12 0.02 0.00 0.00 176.95 176.06 1t60 s SER 135 N -2.50 2.94 0.22 2.95 0.01 0.26 -4.75 113.70 112.82 1t60 s SER 135 Ca 0.22 -0.53 -0.30 0.00 1.31 0.00 0.00 55.95 56.66 1t60 s SER 135 Cb -0.10 -0.28 -0.08 0.00 0.21 0.00 0.00 66.02 65.76 1t60 s SER 135 CO 0.13 0.26 1.11 -0.55 0.41 0.00 0.00 173.24 174.60 1t60 s SER 136 N -1.00 7.25 -0.19 2.44 0.15 -1.26 -0.74 113.70 120.35 1t60 s SER 136 Ca 0.10 2.17 0.07 0.00 0.70 0.00 0.00 55.95 58.99 1t60 s SER 136 Cb -0.10 -2.61 -0.16 0.00 -1.71 0.00 0.00 66.02 61.44 1t60 s SER 136 CO 0.01 -0.20 -0.09 0.18 1.20 0.00 0.00 173.24 174.34 1t60 n LEU 137 N 1.95 1.84 -3.62 3.45 4.77 0.91 -4.92 117.00 121.37 1t60 n LEU 137 Ca 0.01 -0.07 -0.05 0.00 -0.03 0.00 0.00 56.01 55.88 1t60 n LEU 137 Cb 0.45 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1t60 n LEU 137 CO 0.54 0.68 0.80 -1.66 -1.33 0.00 0.00 177.39 176.42 1t60 s TRP 138 N -2.41 -0.19 0.15 -1.77 -2.14 -1.20 -4.97 118.94 106.40 1t60 s TRP 138 Ca -0.20 0.02 0.10 0.00 2.66 0.00 0.00 56.10 58.68 1t60 s TRP 138 Cb 0.06 0.57 -0.04 0.00 -3.10 0.00 0.00 33.47 30.96 1t60 s TRP 138 CO 0.55 -0.55 -0.23 0.42 -2.66 0.00 0.00 176.95 174.48 1t60 s ILE 139 N -2.97 2.50 0.00 0.66 1.01 -1.26 -0.89 121.20 120.24 1t60 s ILE 139 Ca 0.09 -1.77 0.00 0.00 0.00 0.00 0.00 60.65 58.98 1t60 s ILE 139 Cb -0.00 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.31 1t60 s ILE 139 CO -0.04 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.53 1t60 n GLY 140 N 0.63 2.42 3.41 6.18 0.00 -0.54 -4.34 105.19 112.94 1t60 n GLY 140 Ca -0.15 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 1t60 n GLY 140 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t60 s TYR 141 N -1.72 2.48 -0.61 1.61 1.51 0.18 -1.81 117.35 118.99 1t60 s TYR 141 Ca 0.00 -0.31 -0.27 0.00 -1.01 0.00 0.00 57.07 55.48 1t60 s TYR 141 Cb 0.00 -1.47 -0.01 0.00 -0.11 0.00 0.00 41.96 40.37 1t60 s TYR 141 CO 0.00 0.17 1.71 -1.12 -1.11 0.00 0.00 175.55 175.20 1t60 s SER 142 N -1.19 5.55 -0.30 2.29 0.01 -0.57 -1.61 113.70 117.88 1t60 s SER 142 Ca 0.13 0.26 -0.12 0.00 1.31 0.00 0.00 55.95 57.53 1t60 s SER 142 Cb -0.10 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 1t60 s SER 142 CO 0.03 -2.18 0.21 0.12 0.41 0.00 0.00 173.24 171.83 1t60 s PHE 143 N 8.07 3.22 -0.24 2.43 5.36 0.10 -1.70 117.98 135.22 1t60 s PHE 143 Ca 0.61 0.04 -0.13 0.00 -0.96 0.00 0.00 56.93 56.48 1t60 s PHE 143 Cb -0.12 -2.42 -0.10 0.00 -0.34 0.00 0.00 43.02 40.04 1t60 s PHE 143 CO 0.21 -0.22 -0.33 0.28 -1.46 0.00 0.00 175.22 173.70 1t60 n VAL 144 N 5.08 1.42 -3.57 3.12 0.31 -0.40 -4.36 118.33 119.92 1t60 n VAL 144 Ca -0.13 -0.27 -0.06 0.00 -0.01 0.00 0.00 64.34 63.86 1t60 n VAL 144 Cb 0.51 -1.92 0.02 0.00 -0.91 0.00 0.00 33.84 31.54 1t60 n VAL 144 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1t60 n MET 145 N -4.18 0.81 -3.58 5.55 0.00 -1.13 -0.12 117.12 114.47 1t60 n MET 145 Ca -0.44 -1.59 -0.08 0.00 0.00 0.00 0.00 57.70 55.58 1t60 n MET 145 Cb 0.80 1.98 -0.02 0.00 0.00 0.00 0.00 33.22 35.98 1t60 n MET 145 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 1t60 s HIS 146 N -4.12 -0.34 0.04 3.17 -3.43 -0.55 -0.36 115.29 109.69 1t60 s HIS 146 Ca 0.11 0.11 -0.10 0.00 -0.80 0.00 0.00 55.06 54.38 1t60 s HIS 146 Cb -0.03 0.59 0.00 0.00 -1.43 0.00 0.00 32.58 31.71 1t60 s HIS 146 CO 0.09 -0.79 0.20 0.95 -2.00 0.00 0.00 174.74 173.18 1t60 s THR 147 N -3.46 0.11 0.00 -5.38 -4.23 -0.90 -2.64 115.64 99.13 1t60 s THR 147 Ca 0.06 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 1t60 s THR 147 Cb -0.02 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 72.91 1t60 s THR 147 CO -0.06 -0.49 0.00 -0.24 -0.54 0.00 0.00 174.62 173.29 1t60 n SER 148 N 0.67 0.00 -4.67 3.99 2.88 -0.05 -1.34 113.62 115.10 1t60 n SER 148 Ca -0.19 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 56.90 1t60 n SER 148 Cb 0.59 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.02 1t60 n SER 148 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t60 n ALA 149 N -3.00 1.20 -1.38 -1.46 0.00 -1.26 -1.29 120.51 113.32 1t60 n ALA 149 Ca 0.00 0.42 -0.13 0.00 0.00 0.00 0.00 53.44 53.73 1t60 n ALA 149 Cb 0.00 -2.30 -0.06 0.00 0.00 0.00 0.00 19.45 17.10 1t60 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t60 n GLY 150 N 2.43 1.30 2.57 0.00 0.00 -1.26 -1.95 105.19 108.28 1t60 n GLY 150 Ca 0.13 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1t60 n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t60 n ALA 151 N 1.24 -0.33 -2.33 4.61 0.00 -0.41 -4.97 120.51 118.32 1t60 n ALA 151 Ca -0.13 0.31 -0.27 0.00 0.00 0.00 0.00 53.44 53.36 1t60 n ALA 151 Cb 0.55 -2.01 -0.00 0.00 0.00 0.00 0.00 19.45 17.99 1t60 n ALA 151 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1t60 s GLU 152 N -3.79 3.51 0.00 0.00 0.41 -0.82 -4.72 118.70 113.29 1t60 s GLU 152 Ca 0.00 0.09 0.00 0.00 -0.41 0.00 0.00 54.97 54.65 1t60 s GLU 152 Cb 0.00 -2.42 0.00 0.00 -1.78 0.00 0.00 34.13 29.93 1t60 s GLU 152 CO 0.00 -0.16 0.00 0.41 -0.49 0.00 0.00 175.26 175.02 1t60 n GLY 153 N -2.19 -0.58 0.88 -1.39 0.00 -1.26 -0.87 105.19 99.78 1t60 n GLY 153 Ca -0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 46.02 45.37 1t60 n GLY 153 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t60 n SER 154 N 0.00 -0.51 -1.33 1.61 3.41 -1.08 -4.72 113.62 111.00 1t60 n SER 154 Ca 0.00 -1.34 -0.02 0.00 -0.26 0.00 0.00 58.87 57.25 1t60 n SER 154 Cb 0.00 0.85 -0.00 0.00 -0.26 0.00 0.00 64.21 64.80 1t60 n SER 154 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t60 n GLY 155 N -0.13 2.72 3.55 5.00 0.00 -1.26 -1.49 105.19 113.58 1t60 n GLY 155 Ca -0.02 -1.34 -0.27 0.00 0.00 0.00 0.00 46.02 44.39 1t60 n GLY 155 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t60 s GLN 156 N -2.11 1.99 -0.11 1.61 -1.52 0.83 -4.77 119.66 115.58 1t60 s GLN 156 Ca 0.04 -1.25 -0.29 0.00 -1.95 0.00 0.00 55.36 51.92 1t60 s GLN 156 Cb -0.00 -2.15 -0.01 0.00 -0.22 0.00 0.00 33.01 30.63 1t60 s GLN 156 CO 0.03 0.45 0.98 0.00 -0.25 0.00 0.00 175.29 176.50 1t60 s ALA 157 N -1.58 3.42 -0.50 6.09 0.00 -1.26 -4.90 121.76 123.03 1t60 s ALA 157 Ca 0.23 0.33 0.20 0.00 0.00 0.00 0.00 51.96 52.72 1t60 s ALA 157 Cb -0.09 -3.40 0.91 0.00 0.00 0.00 0.00 23.12 20.54 1t60 s ALA 157 CO 0.14 -0.60 1.60 1.28 0.00 0.00 0.00 175.76 178.18 1t60 n LEU 158 N 5.01 0.50 -0.15 0.00 4.77 -1.26 -1.00 117.00 124.86 1t60 n LEU 158 Ca 0.08 0.66 0.12 0.00 -0.03 0.00 0.00 56.01 56.84 1t60 n LEU 158 Cb 0.49 -0.64 0.20 0.00 -2.33 0.00 0.00 43.42 41.14 1t60 n LEU 158 CO 0.51 -0.64 0.43 0.00 -1.33 0.00 0.00 177.39 176.36 1t60 n ALA 159 N -1.72 3.57 -2.56 -1.18 0.00 -1.26 -4.63 120.51 112.73 1t60 n ALA 159 Ca 0.01 -0.45 -0.33 0.00 0.00 0.00 0.00 53.44 52.67 1t60 n ALA 159 Cb 0.14 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 1t60 n ALA 159 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1t60 s SER 160 N -2.76 6.61 0.66 0.00 0.15 -0.17 -1.67 113.70 116.53 1t60 s SER 160 Ca 0.16 0.78 0.41 0.00 0.70 0.00 0.00 55.95 58.00 1t60 s SER 160 Cb 0.18 -2.17 2.24 0.00 -1.71 0.00 0.00 66.02 64.56 1t60 s SER 160 CO 0.65 0.10 2.26 -0.65 1.20 0.00 0.00 173.24 176.80 1t60 h PRO 161 N 3.29 0.00 0.00 5.44 0.11 -1.84 -0.97 132.00 138.03 1t60 h PRO 161 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1t60 h PRO 161 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1t60 h PRO 161 CO 0.68 0.00 -0.02 0.78 -0.21 0.00 0.00 178.00 179.23 1t60 h GLY 162 N 0.00 0.00 -0.88 -0.55 0.00 -1.84 -1.52 103.07 98.27 1t60 h GLY 162 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t60 h GLY 162 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t60 n SER 163 N -3.17 1.56 -3.79 0.19 3.41 -0.37 -4.56 113.62 106.89 1t60 n SER 163 Ca -0.01 -1.83 -0.30 0.00 -0.26 0.00 0.00 58.87 56.48 1t60 n SER 163 Cb 0.23 -0.15 -0.13 0.00 -0.26 0.00 0.00 64.21 63.89 1t60 n SER 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 s LEU 165 N 0.27 4.35 0.54 0.00 1.43 -0.64 -4.72 118.68 119.91 1t60 s LEU 165 Ca 0.17 1.23 0.32 0.00 -1.03 0.00 0.00 54.13 54.81 1t60 s LEU 165 Cb -0.24 -3.09 1.45 0.00 0.03 0.00 0.00 46.19 44.34 1t60 s LEU 165 CO -0.01 -0.07 2.03 -0.33 0.23 0.00 0.00 176.35 178.20 1t60 h GLU 166 N 6.47 0.00 -4.33 1.70 5.08 -1.88 0.52 114.58 122.15 1t60 h GLU 166 Ca -0.42 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.38 1t60 h GLU 166 Cb 1.20 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.08 1t60 h GLU 166 CO 0.74 0.08 -0.80 -2.00 -1.00 0.00 0.00 179.01 176.03 1t60 s GLU 167 N -3.88 1.69 0.14 2.33 2.56 -1.26 -4.73 118.70 115.55 1t60 s GLU 167 Ca -0.01 -0.52 -0.30 0.00 0.00 0.00 0.00 54.97 54.14 1t60 s GLU 167 Cb 0.11 -2.00 -0.07 0.00 2.00 0.00 0.00 34.13 34.17 1t60 s GLU 167 CO 0.55 -0.36 1.09 0.12 -0.56 0.00 0.00 175.26 176.11 1t60 s PHE 168 N 1.59 3.60 -0.12 5.30 2.19 -1.26 -4.97 117.98 124.30 1t60 s PHE 168 Ca 0.02 1.58 -0.08 0.00 0.33 0.00 0.00 56.93 58.78 1t60 s PHE 168 Cb -0.14 -3.26 0.04 0.00 -1.31 0.00 0.00 43.02 38.34 1t60 s PHE 168 CO -0.08 -0.59 0.30 1.03 1.83 0.00 0.00 175.22 177.70 1t60 s ARG 169 N -0.02 0.29 0.42 10.12 0.52 -1.26 -5.03 118.95 124.00 1t60 s ARG 169 Ca 0.51 0.54 0.11 0.00 -0.52 0.00 0.00 55.73 56.36 1t60 s ARG 169 Cb -0.28 -0.00 0.90 0.00 0.52 0.00 0.00 34.95 36.08 1t60 s ARG 169 CO 0.33 -0.12 1.99 0.77 0.02 0.00 0.00 175.30 178.29 1t60 h SER 170 N 6.67 0.21 -2.91 0.23 0.02 -1.99 -3.26 113.55 112.52 1t60 h SER 170 Ca -0.35 -0.03 -0.61 0.00 -0.84 0.00 0.00 61.79 59.96 1t60 h SER 170 Cb 1.17 -0.05 -0.41 0.00 0.14 0.00 0.00 62.40 63.25 1t60 h SER 170 CO 0.34 0.29 -0.70 0.00 -1.14 0.00 0.00 176.83 175.63 1t60 s ALA 171 N -4.91 3.05 -0.98 3.77 0.00 -1.26 -4.30 121.76 117.13 1t60 s ALA 171 Ca -0.06 -3.39 0.23 0.00 0.00 0.00 0.00 51.96 48.75 1t60 s ALA 171 Cb 0.16 -1.99 0.99 0.00 0.00 0.00 0.00 23.12 22.28 1t60 s ALA 171 CO 0.72 -2.06 1.75 -0.35 0.00 0.00 0.00 175.76 175.82 1t60 n PRO 172 N 2.29 0.01 -4.17 0.00 -0.04 -1.23 -4.86 135.00 126.99 1t60 n PRO 172 Ca 0.22 0.11 -0.11 0.00 -0.04 0.00 0.00 63.50 63.69 1t60 n PRO 172 Cb 0.39 -1.52 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 1t60 n PRO 172 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t60 s PHE 173 N -3.01 0.92 0.10 0.54 -0.71 -1.26 -0.30 117.98 114.26 1t60 s PHE 173 Ca 0.11 -1.09 0.09 0.00 -1.04 0.00 0.00 56.93 55.01 1t60 s PHE 173 Cb 0.15 -0.54 -0.04 0.00 -1.21 0.00 0.00 43.02 41.39 1t60 s PHE 173 CO 0.43 -0.34 -0.24 -1.50 -1.34 0.00 0.00 175.22 172.23 1t60 s ILE 174 N -3.84 1.99 -0.19 -4.49 2.07 -0.17 -4.79 121.20 111.78 1t60 s ILE 174 Ca 0.19 -1.58 -0.10 0.00 -1.41 0.00 0.00 60.65 57.75 1t60 s ILE 174 Cb 0.07 -1.77 -0.05 0.00 0.13 0.00 0.00 42.46 40.84 1t60 s ILE 174 CO -0.01 0.09 0.15 -0.70 -1.91 0.00 0.00 174.94 172.57 1t60 s GLU 175 N -1.80 4.18 0.13 3.50 2.12 -0.72 -2.67 118.70 123.45 1t60 s GLU 175 Ca 0.10 -0.17 0.08 0.00 0.36 0.00 0.00 54.97 55.34 1t60 s GLU 175 Cb -0.10 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1t60 s GLU 175 CO 0.04 0.31 -0.19 0.00 -0.54 0.00 0.00 175.26 174.88 1t60 s HIS 177 N -1.65 2.13 0.57 0.00 0.09 0.89 -1.90 115.29 115.42 1t60 s HIS 177 Ca 0.11 -0.51 0.37 0.00 -0.00 0.00 0.00 55.06 55.03 1t60 s HIS 177 Cb -0.08 -1.09 2.04 0.00 -0.00 0.00 0.00 32.58 33.45 1t60 s HIS 177 CO 0.05 0.51 2.27 0.78 -0.00 0.00 0.00 174.74 178.35 1t60 h GLY 178 N 2.26 0.00 2.00 -2.22 0.00 -1.68 -0.32 103.07 103.11 1t60 h GLY 178 Ca -0.40 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1t60 h GLY 178 CO 0.65 0.00 -0.06 3.21 0.00 0.00 0.00 176.54 180.34 1t60 h ARG 179 N 0.00 0.00 0.00 4.80 3.08 -1.88 -3.46 114.38 116.92 1t60 h ARG 179 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1t60 h ARG 179 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1t60 h ARG 179 CO 0.00 0.06 0.00 0.41 -1.07 0.00 0.00 179.97 179.37 1t60 n GLY 180 N -0.64 0.94 3.89 0.04 0.00 -0.13 -5.08 105.19 104.22 1t60 n GLY 180 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1t60 n GLY 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t60 s THR 181 N -2.00 5.32 0.05 2.61 -4.23 -1.25 -4.08 115.64 112.06 1t60 s THR 181 Ca 0.00 0.02 0.01 0.00 -1.18 0.00 0.00 61.69 60.54 1t60 s THR 181 Cb 0.00 -3.57 -0.03 0.00 1.34 0.00 0.00 72.50 70.24 1t60 s THR 181 CO 0.00 0.29 -0.06 0.00 -0.54 0.00 0.00 174.62 174.32 1t60 s ASN 183 N -2.04 -0.09 -0.26 0.00 2.47 0.58 -0.10 114.94 115.50 1t60 s ASN 183 Ca -0.05 -0.19 -0.09 0.00 0.42 0.00 0.00 52.86 52.95 1t60 s ASN 183 Cb -0.04 0.23 -0.04 0.00 -1.45 0.00 0.00 41.25 39.95 1t60 s ASN 183 CO -0.03 -0.42 0.13 -0.31 -3.72 0.00 0.00 177.10 172.75 1t60 s TYR 184 N -2.61 3.16 0.11 0.43 1.51 -1.26 -1.75 117.35 116.94 1t60 s TYR 184 Ca 0.14 -0.13 0.04 0.00 -1.01 0.00 0.00 57.07 56.10 1t60 s TYR 184 Cb 0.03 -2.31 -0.04 0.00 -0.11 0.00 0.00 41.96 39.53 1t60 s TYR 184 CO -0.03 -0.25 0.09 0.71 -1.11 0.00 0.00 175.55 174.97 1t60 s TYR 185 N 1.67 3.17 0.62 2.71 1.51 -1.26 -5.01 117.35 120.76 1t60 s TYR 185 Ca 0.07 0.05 0.34 0.00 -1.01 0.00 0.00 57.07 56.51 1t60 s TYR 185 Cb -0.16 -1.58 1.96 0.00 -0.11 0.00 0.00 41.96 42.07 1t60 s TYR 185 CO 0.07 0.52 2.24 0.00 -1.11 0.00 0.00 175.55 177.28 1t60 h ALA 186 N 3.02 1.42 -0.16 3.71 0.00 -2.03 -2.27 119.26 122.97 1t60 h ALA 186 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1t60 h ALA 186 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1t60 h ALA 186 CO 0.65 -0.08 0.00 0.27 0.00 0.00 0.00 179.25 180.09 1t60 n ASN 187 N -3.57 1.56 -4.70 0.00 6.94 -1.26 -4.87 115.26 109.36 1t60 n ASN 187 Ca -0.02 -1.69 -0.42 0.00 -0.02 0.00 0.00 54.58 52.42 1t60 n ASN 187 Cb 0.14 -0.10 -0.03 0.00 -2.36 0.00 0.00 39.78 37.43 1t60 n ASN 187 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1t60 s ALA 188 N -1.80 3.40 -0.01 -2.53 0.00 -0.85 -4.52 121.76 115.45 1t60 s ALA 188 Ca 0.32 0.67 0.06 0.00 0.00 0.00 0.00 51.96 53.01 1t60 s ALA 188 Cb 0.17 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 1t60 s ALA 188 CO 0.26 -0.55 -0.20 0.71 0.00 0.00 0.00 175.76 175.98 1t60 s TYR 189 N 1.60 1.75 -0.08 0.00 1.51 -0.45 -5.01 117.35 116.67 1t60 s TYR 189 Ca 0.56 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 56.30 1t60 s TYR 189 Cb -0.25 -1.12 -0.02 0.00 -0.11 0.00 0.00 41.96 40.46 1t60 s TYR 189 CO 0.25 -0.02 -0.14 -1.54 -1.11 0.00 0.00 175.55 172.99 1t60 s SER 190 N -0.53 3.98 -0.11 2.29 1.04 -1.26 -2.12 113.70 116.98 1t60 s SER 190 Ca 0.07 -0.26 0.01 0.00 0.48 0.00 0.00 55.95 56.25 1t60 s SER 190 Cb -0.08 -1.17 -0.02 0.00 0.10 0.00 0.00 66.02 64.85 1t60 s SER 190 CO -0.00 0.26 -0.14 -0.36 0.98 0.00 0.00 173.24 173.98 1t60 s PHE 191 N -0.25 2.77 0.11 5.02 0.08 0.51 -4.99 117.98 121.25 1t60 s PHE 191 Ca 0.01 -0.54 0.05 0.00 0.12 0.00 0.00 56.93 56.57 1t60 s PHE 191 Cb -0.13 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 1t60 s PHE 191 CO 0.03 -0.12 -0.13 -1.58 -0.10 0.00 0.00 175.22 173.32 1t60 s TRP 192 N 0.09 1.30 0.27 0.36 0.52 -1.26 -1.27 118.94 118.95 1t60 s TRP 192 Ca -0.06 -0.58 -0.29 0.00 0.02 0.00 0.00 56.10 55.19 1t60 s TRP 192 Cb -0.15 -0.69 -0.10 0.00 -1.15 0.00 0.00 33.47 31.39 1t60 s TRP 192 CO 0.05 0.10 1.28 -0.51 0.02 0.00 0.00 176.95 177.88 1t60 s LEU 193 N -2.43 4.44 0.45 2.99 1.43 -0.69 -4.88 118.68 120.00 1t60 s LEU 193 Ca 0.08 2.52 0.01 0.00 -1.03 0.00 0.00 54.13 55.70 1t60 s LEU 193 Cb -0.04 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.54 1t60 s LEU 193 CO 0.02 -0.47 0.67 0.00 0.23 0.00 0.00 176.35 176.80 1t60 s ALA 194 N -0.67 3.80 0.23 4.21 0.00 -1.26 -0.87 121.76 127.19 1t60 s ALA 194 Ca 0.51 -1.10 -0.21 0.00 0.00 0.00 0.00 51.96 51.16 1t60 s ALA 194 Cb -0.37 -2.11 -0.08 0.00 0.00 0.00 0.00 23.12 20.55 1t60 s ALA 194 CO 0.45 -0.38 0.76 0.95 0.00 0.00 0.00 175.76 177.54 1t60 s THR 195 N -2.55 4.50 0.01 0.00 -4.23 -0.93 -4.44 115.64 107.99 1t60 s THR 195 Ca 0.49 1.41 0.03 0.00 -1.18 0.00 0.00 61.69 62.44 1t60 s THR 195 Cb -0.10 -3.91 -0.01 0.00 1.34 0.00 0.00 72.50 69.82 1t60 s THR 195 CO 0.38 0.23 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.96 1t60 s ILE 196 N -1.49 0.74 -0.15 2.99 1.01 0.50 -4.95 121.20 119.84 1t60 s ILE 196 Ca 0.43 -0.57 -0.21 0.00 0.00 0.00 0.00 60.65 60.30 1t60 s ILE 196 Cb -0.18 -0.65 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 1t60 s ILE 196 CO 0.22 0.09 0.62 -1.61 0.00 0.00 0.00 174.94 174.26 1t60 s GLU 197 N -0.54 4.29 0.40 2.79 0.41 -1.26 -4.76 118.70 120.03 1t60 s GLU 197 Ca 0.01 0.65 0.20 0.00 -0.41 0.00 0.00 54.97 55.43 1t60 s GLU 197 Cb -0.05 -3.52 1.16 0.00 -1.78 0.00 0.00 34.13 29.94 1t60 s GLU 197 CO 0.00 -0.09 1.73 -0.09 -0.49 0.00 0.00 175.26 176.31 1t60 h ARG 198 N 7.16 0.32 0.00 1.61 9.65 -2.00 1.18 114.38 132.31 1t60 h ARG 198 Ca -0.35 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.46 1t60 h ARG 198 Cb 1.16 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.66 1t60 h ARG 198 CO 0.77 0.21 -0.22 0.66 2.80 0.00 0.00 179.97 184.19 1t60 h SER 199 N 0.33 0.00 -0.51 -3.80 4.64 -2.05 -3.19 113.55 108.97 1t60 h SER 199 Ca 0.66 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.98 1t60 h SER 199 Cb 1.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 1t60 h SER 199 CO -0.36 0.22 0.00 -0.62 -0.87 0.00 0.00 176.83 175.20 1t60 n GLU 200 N -3.34 4.04 -0.18 4.77 1.02 0.40 -4.57 120.64 122.78 1t60 n GLU 200 Ca 0.00 -2.97 -0.08 0.00 -0.02 0.00 0.00 57.16 54.10 1t60 n GLU 200 Cb 0.45 -2.03 0.01 0.00 -0.02 0.00 0.00 31.44 29.86 1t60 n GLU 200 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1t60 h MET 201 N 3.39 0.75 -1.42 3.49 2.86 -1.44 -3.14 114.93 119.42 1t60 h MET 201 Ca 0.00 -0.12 -0.69 0.00 -2.06 0.00 0.00 59.70 56.84 1t60 h MET 201 Cb 1.66 -0.13 -0.32 0.00 0.06 0.00 0.00 31.60 32.88 1t60 h MET 201 CO 0.34 0.63 0.53 1.19 1.06 0.00 0.00 176.91 180.66 1t60 n PHE 202 N -4.58 3.10 -4.15 -0.22 3.01 -1.26 -4.94 117.46 108.42 1t60 n PHE 202 Ca 0.02 -2.67 -0.17 0.00 1.01 0.00 0.00 57.45 55.63 1t60 n PHE 202 Cb 0.13 -1.04 -0.12 0.00 -0.01 0.00 0.00 39.48 38.44 1t60 n PHE 202 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1t60 s LYS 203 N -3.86 0.77 0.00 -1.08 1.02 -1.19 -5.10 119.74 110.31 1t60 s LYS 203 Ca 0.56 -0.93 -0.36 0.00 0.02 0.00 0.00 55.97 55.26 1t60 s LYS 203 Cb 0.46 -0.73 -0.15 0.00 -0.52 0.00 0.00 37.83 36.89 1t60 s LYS 203 CO -0.18 0.16 1.55 1.17 -0.92 0.00 0.00 175.35 177.12 1t60 n LYS 204 N 1.29 1.51 -1.76 1.68 4.81 -1.26 -4.87 118.16 119.55 1t60 n LYS 204 Ca -0.21 0.55 -0.39 0.00 -0.87 0.00 0.00 58.31 57.38 1t60 n LYS 204 Cb 0.54 -2.25 0.03 0.00 0.02 0.00 0.00 35.03 33.37 1t60 n LYS 204 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1t60 s PRO 205 N 1.67 3.43 -0.42 1.64 0.02 -1.26 -4.94 135.00 135.14 1t60 s PRO 205 Ca 0.87 2.38 -0.20 0.00 0.02 0.00 0.00 61.00 64.07 1t60 s PRO 205 Cb -0.88 -2.49 0.02 0.00 0.02 0.00 0.00 34.50 31.17 1t60 s PRO 205 CO 0.49 -1.01 0.58 0.99 -0.33 0.00 0.00 177.00 177.73 1t60 s THR 206 N -1.23 4.91 0.48 0.99 2.01 -1.26 -5.04 115.64 116.50 1t60 s THR 206 Ca 0.66 0.04 -0.24 0.00 0.31 0.00 0.00 61.69 62.46 1t60 s THR 206 Cb -0.43 -4.14 -0.08 0.00 0.01 0.00 0.00 72.50 67.86 1t60 s THR 206 CO 0.54 -0.51 1.33 -2.65 -0.69 0.00 0.00 174.62 172.64 1t60 n PRO 207 N 6.05 1.91 -3.70 4.92 -0.02 -1.26 -5.02 135.00 137.88 1t60 n PRO 207 Ca -0.03 0.69 -0.14 0.00 -2.02 0.00 0.00 63.50 62.00 1t60 n PRO 207 Cb 0.48 -2.51 -0.09 0.00 -0.02 0.00 0.00 33.50 31.37 1t60 n PRO 207 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1t60 s SER 208 N -0.66 -0.45 -0.21 2.55 1.04 -1.26 -5.13 113.70 109.58 1t60 s SER 208 Ca 0.65 0.74 0.02 0.00 0.48 0.00 0.00 55.95 57.83 1t60 s SER 208 Cb -0.46 0.77 0.04 0.00 0.10 0.00 0.00 66.02 66.48 1t60 s SER 208 CO 0.55 -0.28 -0.14 -0.89 0.98 0.00 0.00 173.24 173.46 1t60 s THR 209 N -0.27 2.00 -0.09 2.02 2.01 -1.26 -5.12 115.64 114.94 1t60 s THR 209 Ca -0.04 -1.22 -0.04 0.00 0.31 0.00 0.00 61.69 60.70 1t60 s THR 209 Cb -0.03 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 1t60 s THR 209 CO 0.03 0.24 0.06 -0.76 -0.69 0.00 0.00 174.62 173.49 1t60 s LEU 210 N 1.24 3.91 0.33 4.42 1.43 -1.26 -5.12 118.68 123.63 1t60 s LEU 210 Ca -0.02 0.27 0.08 0.00 -1.03 0.00 0.00 54.13 53.43 1t60 s LEU 210 Cb -0.16 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1t60 s LEU 210 CO -0.09 0.38 0.26 -0.54 0.23 0.00 0.00 176.35 176.59 1t60 s LYS 211 N -1.00 2.67 0.24 1.70 1.02 -1.26 -4.89 119.74 118.22 1t60 s LYS 211 Ca 0.15 -1.32 -0.26 0.00 0.02 0.00 0.00 55.97 54.56 1t60 s LYS 211 Cb -0.12 -2.42 -0.16 0.00 -0.52 0.00 0.00 37.83 34.61 1t60 s LYS 211 CO 0.04 0.12 0.41 0.00 -0.92 0.00 0.00 175.35 175.00 1t60 n ALA 212 N -1.31 -2.85 -2.44 5.17 0.00 -1.26 -3.26 120.51 114.56 1t60 n ALA 212 Ca -0.03 0.35 -0.04 0.00 0.00 0.00 0.00 53.44 53.73 1t60 n ALA 212 Cb 0.60 -1.53 0.02 0.00 0.00 0.00 0.00 19.45 18.54 1t60 n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t60 n GLY 213 N 2.01 0.37 0.00 0.00 0.00 -1.26 -4.77 105.19 101.54 1t60 n GLY 213 Ca 0.16 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1t60 n GLY 213 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1t60 n GLU 214 N -1.63 0.00 0.02 1.61 2.13 -1.20 -5.01 120.64 116.56 1t60 n GLU 214 Ca -0.04 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.67 1t60 n GLU 214 Cb 0.53 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.19 1t60 n GLU 214 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1t60 h LEU 215 N 0.00 -0.19 -6.41 4.31 3.38 -1.86 -3.24 115.31 111.30 1t60 h LEU 215 Ca 0.00 0.04 -0.77 0.00 0.09 0.00 0.00 57.88 57.24 1t60 h LEU 215 Cb 0.00 0.09 -0.18 0.00 0.09 0.00 0.00 40.66 40.66 1t60 h LEU 215 CO 0.00 -0.09 1.81 -2.11 0.09 0.00 0.00 178.44 178.14 1t60 n ARG 216 N -5.18 4.00 0.00 1.13 1.85 -1.26 -3.52 116.66 113.67 1t60 n ARG 216 Ca -0.05 -3.76 0.00 0.00 -1.00 0.00 0.00 57.85 53.04 1t60 n ARG 216 Cb 0.11 -2.78 0.00 0.00 -1.05 0.00 0.00 32.46 28.74 1t60 n ARG 216 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1t60 n THR 217 N 2.58 0.00 -0.39 8.89 -1.04 -1.22 -4.71 114.28 118.39 1t60 n THR 217 Ca 0.40 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.49 1t60 n THR 217 Cb 0.34 0.00 0.24 0.00 -1.82 0.00 0.00 70.33 69.09 1t60 n THR 217 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1t60 n HIS 218 N -0.34 0.81 -3.98 -1.42 8.25 -1.23 -4.79 115.22 112.52 1t60 n HIS 218 Ca 0.00 -0.56 -0.35 0.00 -0.26 0.00 0.00 57.72 56.55 1t60 n HIS 218 Cb 0.00 -0.09 -0.11 0.00 1.12 0.00 0.00 29.99 30.91 1t60 n HIS 218 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1t60 s VAL 219 N -1.35 4.49 0.49 1.59 1.01 -1.26 -2.19 120.40 123.17 1t60 s VAL 219 Ca 0.36 -0.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.98 1t60 s VAL 219 Cb 0.21 -3.04 -0.07 0.00 0.00 0.00 0.00 36.38 33.48 1t60 s VAL 219 CO 0.21 0.42 1.34 -0.55 0.00 0.00 0.00 175.10 176.51 1t60 s SER 220 N 0.84 5.72 0.23 3.32 0.15 -0.05 -4.65 113.70 119.26 1t60 s SER 220 Ca 0.03 2.72 0.05 0.00 0.70 0.00 0.00 55.95 59.45 1t60 s SER 220 Cb -0.14 -2.64 -0.03 0.00 -1.71 0.00 0.00 66.02 61.50 1t60 s SER 220 CO 0.02 -1.26 0.30 -0.13 1.20 0.00 0.00 173.24 173.38 1t60 s ARG 221 N -2.65 3.29 0.22 5.44 1.81 -1.04 -1.51 118.95 124.52 1t60 s ARG 221 Ca 0.65 -0.82 -0.07 0.00 -1.72 0.00 0.00 55.73 53.77 1t60 s ARG 221 Cb -0.39 -2.81 -0.02 0.00 -0.45 0.00 0.00 34.95 31.28 1t60 s ARG 221 CO 0.48 0.43 0.32 0.00 -0.68 0.00 0.00 175.30 175.85 1t60 s GLN 223 N -4.08 0.19 -0.22 0.00 0.74 -0.54 -1.47 119.66 114.28 1t60 s GLN 223 Ca 0.29 0.04 -0.09 0.00 0.05 0.00 0.00 55.36 55.66 1t60 s GLN 223 Cb 0.03 0.09 -0.04 0.00 1.10 0.00 0.00 33.01 34.18 1t60 s GLN 223 CO 0.10 -0.03 0.11 0.08 -0.55 0.00 0.00 175.29 175.00 1t60 s VAL 224 N -0.22 5.00 0.12 1.34 1.01 -0.07 -1.05 120.40 126.53 1t60 s VAL 224 Ca -0.03 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.09 1t60 s VAL 224 Cb -0.02 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1t60 s VAL 224 CO 0.00 0.38 -0.20 0.00 0.00 0.00 0.00 175.10 175.28 1t60 s MET 226 N -2.13 1.87 -1.30 0.00 -2.45 0.08 -0.11 119.30 115.25 1t60 s MET 226 Ca 0.08 -1.07 -0.15 0.00 -1.25 0.00 0.00 55.69 53.30 1t60 s MET 226 Cb -0.09 -2.02 0.10 0.00 1.25 0.00 0.00 34.83 34.08 1t60 s MET 226 CO 0.05 0.52 1.76 -2.13 1.05 0.00 0.00 175.02 176.27 1t60 n ARG 227 N 1.80 3.24 -3.62 4.11 0.00 -0.68 -0.58 116.66 120.94 1t60 n ARG 227 Ca -0.17 -3.35 -0.10 0.00 -0.00 0.00 0.00 57.85 54.23 1t60 n ARG 227 Cb 0.52 -3.27 -0.06 0.00 0.00 0.00 0.00 32.46 29.65 1t60 n ARG 227 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1t60 s ARG 228 N 2.84 0.58 0.00 -0.14 3.52 -1.17 -4.74 118.95 119.84 1t60 s ARG 228 Ca 0.48 0.50 0.09 0.00 -0.13 0.00 0.00 55.73 56.67 1t60 s ARG 228 Cb 0.05 0.28 0.07 0.00 -1.56 0.00 0.00 34.95 33.79 1t60 s ARG 228 CO 0.02 -0.11 0.78 0.25 -0.81 0.00 0.00 175.30 175.44