#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t60 s PHE 6 N 0.00 3.52 0.04 1.61 0.40 -1.18 -4.94 117.98 117.42 1t60 s PHE 6 Ca 0.00 1.40 0.09 0.00 -0.60 0.00 0.00 56.93 57.82 1t60 s PHE 6 Cb 0.00 -2.65 -0.03 0.00 0.51 0.00 0.00 43.02 40.85 1t60 s PHE 6 CO 0.00 0.19 -0.25 -0.51 0.70 0.00 0.00 175.22 175.34 1t60 s LEU 7 N -2.47 2.22 -0.04 -0.37 1.43 -1.26 0.31 118.68 118.50 1t60 s LEU 7 Ca 0.50 -0.55 0.05 0.00 -1.03 0.00 0.00 54.13 53.10 1t60 s LEU 7 Cb -0.14 -1.33 -0.01 0.00 0.03 0.00 0.00 46.19 44.75 1t60 s LEU 7 CO 0.19 0.27 -0.17 -0.69 0.23 0.00 0.00 176.35 176.17 1t60 s VAL 8 N -0.80 1.43 -0.08 -1.59 1.01 0.98 -4.86 120.40 116.49 1t60 s VAL 8 Ca 0.12 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1t60 s VAL 8 Cb -0.10 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 1t60 s VAL 8 CO 0.02 0.41 -0.20 -0.89 0.00 0.00 0.00 175.10 174.44 1t60 s THR 9 N -0.08 2.46 0.04 3.92 2.01 -1.25 0.11 115.64 122.85 1t60 s THR 9 Ca -0.01 -0.91 0.06 0.00 0.31 0.00 0.00 61.69 61.14 1t60 s THR 9 Cb -0.10 -1.95 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 1t60 s THR 9 CO 0.01 0.56 -0.17 -0.60 -0.69 0.00 0.00 174.62 173.73 1t60 s ARG 10 N -0.05 1.14 -0.11 4.92 3.52 -0.32 -4.78 118.95 123.25 1t60 s ARG 10 Ca -0.05 -0.84 0.03 0.00 -0.13 0.00 0.00 55.73 54.73 1t60 s ARG 10 Cb -0.14 -1.20 0.01 0.00 -1.56 0.00 0.00 34.95 32.05 1t60 s ARG 10 CO 0.04 0.30 -0.21 -1.01 -0.81 0.00 0.00 175.30 173.61 1t60 s HIS 11 N -0.83 2.45 0.19 5.12 3.76 -1.26 -0.86 115.29 123.86 1t60 s HIS 11 Ca 0.04 -1.11 0.08 0.00 -0.15 0.00 0.00 55.06 53.92 1t60 s HIS 11 Cb -0.08 -1.67 0.07 0.00 1.11 0.00 0.00 32.58 32.01 1t60 s HIS 11 CO 0.02 -0.49 1.44 0.66 -0.85 0.00 0.00 174.74 175.52 1t60 h SER 12 N 7.05 0.04 -1.08 1.40 4.64 -1.45 -3.46 113.55 120.68 1t60 h SER 12 Ca -0.26 -0.03 -0.29 0.00 -0.47 0.00 0.00 61.79 60.73 1t60 h SER 12 Cb 1.21 -0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 63.20 1t60 h SER 12 CO 0.50 0.83 -0.30 0.00 -0.87 0.00 0.00 176.83 177.00 1t60 n GLN 13 N -3.60 -1.05 -3.73 4.77 6.02 -1.26 -4.96 117.38 113.58 1t60 n GLN 13 Ca -0.01 0.92 -0.14 0.00 -0.01 0.00 0.00 57.00 57.76 1t60 n GLN 13 Cb 0.78 -5.09 -0.04 0.00 1.02 0.00 0.00 30.24 26.91 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 -2.99 0.00 1.48 5.09 -2.24 -1.26 -4.07 114.28 110.28 1t60 n THR 14 Ca -0.15 -1.68 0.15 0.00 -2.27 0.00 0.00 64.05 60.09 1t60 n THR 14 Cb 0.52 0.98 0.72 0.00 -2.10 0.00 0.00 70.33 70.45 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 -0.51 0.00 -3.24 4.28 -2.24 -1.26 -1.97 114.28 109.33 1t60 n THR 15 Ca 0.02 -0.02 -0.35 0.00 -2.27 0.00 0.00 64.05 61.42 1t60 n THR 15 Cb 0.51 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.34 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 -2.48 6.92 0.14 3.42 1.01 -1.26 -4.83 116.67 119.58 1t60 s ASP 16 Ca 0.31 1.23 -0.31 0.00 0.71 0.00 0.00 52.55 54.49 1t60 s ASP 16 Cb 0.20 -2.35 -0.08 0.00 1.01 0.00 0.00 42.92 41.71 1t60 s ASP 16 CO 0.46 0.06 1.29 -1.81 0.21 0.00 0.00 175.17 175.38 1t60 s ASP 17 N -1.72 6.95 0.61 0.27 1.01 -1.26 -4.50 116.67 118.03 1t60 s ASP 17 Ca 0.41 2.26 -0.12 0.00 0.71 0.00 0.00 52.55 55.80 1t60 s ASP 17 Cb -0.15 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 1t60 s ASP 17 CO 0.20 -0.53 1.03 -2.16 0.21 0.00 0.00 175.17 173.92 1t60 s PRO 18 N 0.55 3.53 0.08 8.23 0.04 -1.26 -5.02 135.00 141.15 1t60 s PRO 18 Ca 0.59 0.84 -0.09 0.00 0.04 0.00 0.00 61.00 62.38 1t60 s PRO 18 Cb -0.34 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.07 1t60 s PRO 18 CO 0.33 -0.62 0.39 -0.65 0.04 0.00 0.00 177.00 176.49 1t60 s GLN 19 N -4.92 3.73 0.38 4.56 -1.52 -1.26 -4.66 119.66 115.96 1t60 s GLN 19 Ca 0.57 0.13 -0.28 0.00 -1.95 0.00 0.00 55.36 53.82 1t60 s GLN 19 Cb -0.12 -2.99 -0.10 0.00 -0.22 0.00 0.00 33.01 29.58 1t60 s GLN 19 CO 0.50 0.56 1.41 0.00 -0.25 0.00 0.00 175.29 177.50 1t60 s PRO 21 N -2.07 -0.20 0.71 0.00 0.04 -1.26 -4.87 135.00 127.35 1t60 s PRO 21 Ca 0.53 0.97 -0.16 0.00 0.04 0.00 0.00 61.00 62.38 1t60 s PRO 21 Cb -0.43 -1.63 0.03 0.00 0.04 0.00 0.00 34.50 32.51 1t60 s PRO 21 CO 0.58 -3.28 1.25 -1.25 0.04 0.00 0.00 177.00 174.34 1t60 s PRO 22 N -4.59 2.17 0.00 0.56 0.04 -1.26 -2.46 135.00 129.46 1t60 s PRO 22 Ca 0.67 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1t60 s PRO 22 Cb -0.23 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1t60 s PRO 22 CO 0.62 -1.85 0.00 0.41 0.04 0.00 0.00 177.00 176.22 1t60 n GLY 23 N 0.70 1.38 3.35 0.56 0.00 -1.26 -5.00 105.19 104.92 1t60 n GLY 23 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.63 1.95 -0.05 2.61 -4.23 -1.03 -4.37 115.64 106.88 1t60 s THR 24 Ca 0.00 -1.86 0.05 0.00 -1.18 0.00 0.00 61.69 58.71 1t60 s THR 24 Cb 0.00 -1.86 -0.02 0.00 1.34 0.00 0.00 72.50 71.96 1t60 s THR 24 CO 0.00 -0.19 -0.21 -1.59 -0.54 0.00 0.00 174.62 172.09 1t60 s LYS 25 N -2.53 2.48 0.46 3.99 -2.85 -0.72 -4.76 119.74 115.81 1t60 s LYS 25 Ca 0.15 -0.83 -0.24 0.00 -1.00 0.00 0.00 55.97 54.05 1t60 s LYS 25 Cb -0.07 -2.23 -0.07 0.00 -2.06 0.00 0.00 37.83 33.39 1t60 s LYS 25 CO 0.07 0.50 1.30 -1.50 0.10 0.00 0.00 175.35 175.81 1t60 s ILE 26 N -0.43 2.53 -0.06 3.79 1.10 -1.26 0.22 121.20 127.09 1t60 s ILE 26 Ca 0.05 0.43 -0.03 0.00 -0.51 0.00 0.00 60.65 60.59 1t60 s ILE 26 Cb -0.12 -3.24 -0.03 0.00 0.15 0.00 0.00 42.46 39.23 1t60 s ILE 26 CO 0.01 0.03 -0.07 0.18 -2.11 0.00 0.00 174.94 172.98 1t60 n LEU 27 N -0.37 0.78 -3.55 8.50 4.77 0.02 -4.79 117.00 122.36 1t60 n LEU 27 Ca 0.07 0.06 -0.07 0.00 -0.03 0.00 0.00 56.01 56.04 1t60 n LEU 27 Cb 0.45 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1t60 n LEU 27 CO 0.53 0.19 0.84 -0.72 -1.33 0.00 0.00 177.39 176.90 1t60 s TYR 28 N -2.11 -0.25 0.28 -1.77 -0.85 -1.13 -5.02 117.35 106.50 1t60 s TYR 28 Ca -0.08 0.18 0.09 0.00 -0.52 0.00 0.00 57.07 56.74 1t60 s TYR 28 Cb 0.03 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.85 1t60 s TYR 28 CO 0.11 -0.37 0.06 -1.01 -1.52 0.00 0.00 175.55 172.81 1t60 s HIS 29 N -2.64 2.76 0.00 -3.49 3.76 -1.26 -1.24 115.29 113.18 1t60 s HIS 29 Ca 0.06 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 54.74 1t60 s HIS 29 Cb -0.01 -1.32 0.00 0.00 1.11 0.00 0.00 32.58 32.36 1t60 s HIS 29 CO -0.06 0.55 0.00 0.41 -0.85 0.00 0.00 174.74 174.78 1t60 n GLY 30 N -0.99 2.09 3.64 -2.22 0.00 -0.73 -4.60 105.19 102.38 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 -2.19 2.98 -0.69 1.61 1.51 0.10 -1.08 117.35 119.59 1t60 s TYR 31 Ca 0.00 0.02 -0.27 0.00 -1.01 0.00 0.00 57.07 55.81 1t60 s TYR 31 Cb 0.00 -1.64 0.01 0.00 -0.11 0.00 0.00 41.96 40.22 1t60 s TYR 31 CO 0.00 0.42 1.54 -1.12 -1.11 0.00 0.00 175.55 175.28 1t60 s SER 32 N -1.51 5.77 -0.22 2.29 0.01 -0.48 -1.70 113.70 117.86 1t60 s SER 32 Ca 0.18 -0.13 -0.17 0.00 1.31 0.00 0.00 55.95 57.14 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 0.09 -2.08 0.47 -0.22 0.41 0.00 0.00 173.24 171.91 1t60 s LEU 33 N 7.23 4.11 -0.19 2.44 2.96 0.16 -1.28 118.68 134.11 1t60 s LEU 33 Ca 0.50 0.55 -0.19 0.00 -0.22 0.00 0.00 54.13 54.76 1t60 s LEU 33 Cb -0.10 -2.61 -0.16 0.00 0.50 0.00 0.00 46.19 43.82 1t60 s LEU 33 CO 0.17 -0.18 0.17 0.25 -1.32 0.00 0.00 176.35 175.43 1t60 h LEU 34 N 8.16 0.00 -7.63 -0.68 5.85 -1.04 -3.41 115.31 116.56 1t60 h LEU 34 Ca -0.33 -0.43 0.21 0.00 0.84 0.00 0.00 57.88 58.17 1t60 h LEU 34 Cb 1.15 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 1t60 h LEU 34 CO 0.72 1.32 0.59 -0.72 -0.34 0.00 0.00 178.44 180.00 1t60 s TYR 35 N -2.32 -0.07 0.24 1.25 1.13 -1.02 -2.43 117.35 114.13 1t60 s TYR 35 Ca -0.25 -0.21 0.04 0.00 -1.41 0.00 0.00 57.07 55.24 1t60 s TYR 35 Cb 0.05 0.63 -0.05 0.00 -1.10 0.00 0.00 41.96 41.48 1t60 s TYR 35 CO 0.52 -0.71 -0.02 0.14 -2.51 0.00 0.00 175.55 172.96 1t60 s VAL 36 N -2.86 1.22 -0.17 -3.49 -7.23 -0.41 -0.30 120.40 107.17 1t60 s VAL 36 Ca 0.15 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 58.22 1t60 s VAL 36 Cb -0.00 -2.35 0.06 0.00 0.56 0.00 0.00 36.38 34.65 1t60 s VAL 36 CO 0.01 -0.34 0.06 -1.58 -0.31 0.00 0.00 175.10 172.95 1t60 s GLN 37 N -3.82 0.34 -0.11 4.82 0.74 -0.77 -0.32 119.66 120.54 1t60 s GLN 37 Ca 0.28 -0.21 0.03 0.00 0.05 0.00 0.00 55.36 55.52 1t60 s GLN 37 Cb 0.05 -1.87 0.00 0.00 1.10 0.00 0.00 33.01 32.29 1t60 s GLN 37 CO 0.09 -0.63 -0.22 0.20 -0.55 0.00 0.00 175.29 174.18 1t60 s GLY 38 N 2.01 1.37 -1.51 2.59 0.00 -0.31 -1.52 107.32 109.94 1t60 s GLY 38 Ca 0.01 -0.99 -0.11 0.00 0.00 0.00 0.00 44.72 43.64 1t60 s GLY 38 CO -0.08 -0.24 0.83 -2.01 0.00 0.00 0.00 173.10 171.60 1t60 n ASN 39 N 3.65 -3.32 -0.13 1.64 4.05 -1.26 -1.52 115.26 118.37 1t60 n ASN 39 Ca -0.19 -0.86 -0.02 0.00 0.45 0.00 0.00 54.58 53.96 1t60 n ASN 39 Cb 0.53 -3.60 -0.01 0.00 1.23 0.00 0.00 39.78 37.93 1t60 n ASN 39 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1t60 n GLU 40 N -4.52 -0.84 -4.66 1.20 1.02 -1.26 -5.01 120.64 106.56 1t60 n GLU 40 Ca -0.06 0.33 -0.33 0.00 -0.02 0.00 0.00 57.16 57.09 1t60 n GLU 40 Cb 0.57 -4.04 -0.16 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 -1.23 3.19 0.33 3.49 3.52 -0.58 -5.02 118.95 122.64 1t60 s ARG 41 Ca 0.00 -0.77 -0.23 0.00 -0.13 0.00 0.00 55.73 54.60 1t60 s ARG 41 Cb 0.00 -2.56 -0.10 0.00 -1.56 0.00 0.00 34.95 30.73 1t60 s ARG 41 CO 0.00 0.05 0.90 0.00 -0.81 0.00 0.00 175.30 175.44 1t60 s ALA 42 N 0.70 3.21 -0.16 6.12 0.00 -1.26 -1.16 121.76 129.21 1t60 s ALA 42 Ca -0.08 0.41 -0.04 0.00 0.00 0.00 0.00 51.96 52.25 1t60 s ALA 42 Cb -0.16 -3.09 0.08 0.00 0.00 0.00 0.00 23.12 19.95 1t60 s ALA 42 CO 0.01 0.20 0.23 -1.58 0.00 0.00 0.00 175.76 174.62 1t60 s HIS 43 N -1.75 -0.33 0.42 0.00 2.46 0.57 -4.95 115.29 111.71 1t60 s HIS 43 Ca 0.52 0.53 0.08 0.00 0.47 0.00 0.00 55.06 56.66 1t60 s HIS 43 Cb -0.16 -0.23 0.01 0.00 -0.13 0.00 0.00 32.58 32.07 1t60 s HIS 43 CO 0.21 -0.48 0.56 0.20 -2.47 0.00 0.00 174.74 172.76 1t60 s GLY 44 N 2.36 1.96 -0.18 1.59 0.00 -1.26 -1.28 107.32 110.50 1t60 s GLY 44 Ca 0.05 -1.69 0.01 0.00 0.00 0.00 0.00 44.72 43.09 1t60 s GLY 44 CO -0.10 -1.50 -0.12 1.20 0.00 0.00 0.00 173.10 172.57 1t60 s GLN 45 N -4.34 2.19 0.03 2.90 -1.52 -1.02 -4.98 119.66 112.92 1t60 s GLN 45 Ca 0.55 -0.73 -0.36 0.00 -1.95 0.00 0.00 55.36 52.87 1t60 s GLN 45 Cb -0.10 -2.30 -0.15 0.00 -0.22 0.00 0.00 33.01 30.25 1t60 s GLN 45 CO 0.33 -0.34 1.56 -3.47 -0.25 0.00 0.00 175.29 173.12 1t60 n ASP 46 N 4.72 2.51 0.16 5.90 2.03 -1.26 -4.59 116.55 126.02 1t60 n ASP 46 Ca -0.16 1.08 0.11 0.00 0.52 0.00 0.00 54.79 56.34 1t60 n ASP 46 Cb 0.48 -1.29 0.58 0.00 -0.72 0.00 0.00 41.12 40.17 1t60 n ASP 46 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1t60 n LEU 47 N 3.84 0.57 -0.25 -2.67 4.77 -1.26 -0.92 117.00 121.08 1t60 n LEU 47 Ca 0.20 0.75 0.13 0.00 -0.03 0.00 0.00 56.01 57.06 1t60 n LEU 47 Cb 0.23 -0.80 0.41 0.00 -2.33 0.00 0.00 43.42 40.93 1t60 n LEU 47 CO 0.67 -0.90 0.69 0.61 -1.33 0.00 0.00 177.39 177.13 1t60 n GLY 48 N -1.13 -0.59 3.75 -0.72 0.00 -1.26 -4.43 105.19 100.81 1t60 n GLY 48 Ca -0.01 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.45 4.20 -0.06 2.61 -4.23 -0.10 -3.74 115.64 111.86 1t60 s THR 49 Ca 0.26 -1.29 0.27 0.00 -1.18 0.00 0.00 61.69 59.75 1t60 s THR 49 Cb 0.19 -3.16 0.28 0.00 1.34 0.00 0.00 72.50 71.15 1t60 s THR 49 CO 0.50 -0.17 1.84 0.00 -0.54 0.00 0.00 174.62 176.25 1t60 h ALA 50 N 2.30 1.00 0.00 3.99 0.00 -1.91 -1.73 119.26 122.91 1t60 h ALA 50 Ca -0.47 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1t60 h ALA 50 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1t60 h ALA 50 CO 0.61 0.00 -0.02 0.78 0.00 0.00 0.00 179.25 180.62 1t60 h GLY 51 N 0.58 0.00 -0.82 0.00 0.00 -1.95 -1.07 103.07 99.81 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 -3.16 1.49 -3.87 0.19 3.41 -0.65 -4.64 113.62 106.38 1t60 n SER 52 Ca -0.01 -1.81 -0.30 0.00 -0.26 0.00 0.00 58.87 56.49 1t60 n SER 52 Cb 0.23 -0.14 -0.15 0.00 -0.26 0.00 0.00 64.21 63.89 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 1.17 4.32 0.48 0.00 1.43 -0.69 -4.82 118.68 120.58 1t60 s LEU 54 Ca 0.11 0.55 0.20 0.00 -1.03 0.00 0.00 54.13 53.96 1t60 s LEU 54 Cb -0.19 -2.30 1.22 0.00 0.03 0.00 0.00 46.19 44.95 1t60 s LEU 54 CO -0.15 0.23 2.04 0.03 0.23 0.00 0.00 176.35 178.72 1t60 h ARG 55 N 5.86 0.00 -5.44 1.70 3.08 -1.88 0.30 114.38 118.00 1t60 h ARG 55 Ca -0.47 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.09 1t60 h ARG 55 Cb 1.19 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.97 1t60 h ARG 55 CO 0.68 0.15 -0.81 0.15 -1.07 0.00 0.00 179.97 179.07 1t60 s LYS 56 N -4.46 1.15 0.06 0.04 1.02 -1.26 -4.73 119.74 111.55 1t60 s LYS 56 Ca -0.04 -0.64 0.01 0.00 0.02 0.00 0.00 55.97 55.32 1t60 s LYS 56 Cb 0.15 -1.14 -0.04 0.00 -0.52 0.00 0.00 37.83 36.28 1t60 s LYS 56 CO 0.65 0.30 0.17 0.12 -0.92 0.00 0.00 175.35 175.67 1t60 s PHE 57 N -0.54 3.43 -0.19 3.18 5.36 -1.26 -4.90 117.98 123.06 1t60 s PHE 57 Ca 0.05 0.21 -0.29 0.00 -0.96 0.00 0.00 56.93 55.94 1t60 s PHE 57 Cb -0.07 -1.73 0.12 0.00 -0.34 0.00 0.00 43.02 41.01 1t60 s PHE 57 CO 0.00 0.57 0.98 0.45 -1.46 0.00 0.00 175.22 175.77 1t60 s SER 58 N -2.43 -0.42 0.19 6.13 0.15 -1.26 -5.01 113.70 111.05 1t60 s SER 58 Ca 0.33 0.58 0.23 0.00 0.70 0.00 0.00 55.95 57.78 1t60 s SER 58 Cb -0.13 0.51 0.90 0.00 -1.71 0.00 0.00 66.02 65.59 1t60 s SER 58 CO 0.26 -0.30 1.69 0.35 1.20 0.00 0.00 173.24 176.43 1t60 n THR 59 N 1.21 0.78 -3.29 6.45 -2.24 -1.26 -3.85 114.28 112.08 1t60 n THR 59 Ca -0.12 0.14 -0.24 0.00 -2.27 0.00 0.00 64.05 61.56 1t60 n THR 59 Cb 0.57 -1.00 -0.08 0.00 -2.10 0.00 0.00 70.33 67.71 1t60 n THR 59 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1t60 n MET 60 N -2.07 0.27 0.00 -0.78 0.00 -1.26 -4.05 117.12 109.22 1t60 n MET 60 Ca 0.03 -3.02 0.00 0.00 -0.00 0.00 0.00 57.70 54.71 1t60 n MET 60 Cb 0.26 -1.61 0.00 0.00 0.00 0.00 0.00 33.22 31.87 1t60 n MET 60 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1t60 n PRO 61 N 2.74 0.95 -3.97 2.12 -0.04 -1.25 -4.86 135.00 130.68 1t60 n PRO 61 Ca 0.28 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.64 1t60 n PRO 61 Cb 0.49 -1.23 -0.06 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.52 0.36 0.24 0.54 -0.71 -1.26 -5.09 117.98 110.54 1t60 s PHE 62 Ca 0.00 -0.71 0.01 0.00 -1.04 0.00 0.00 56.93 55.19 1t60 s PHE 62 Cb 0.00 0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.90 1t60 s PHE 62 CO 0.00 -0.92 0.17 -0.48 -1.34 0.00 0.00 175.22 172.66 1t60 s LEU 63 N -3.00 1.32 0.09 -1.99 0.05 -1.26 -4.57 118.68 109.31 1t60 s LEU 63 Ca 0.21 -1.49 0.05 0.00 0.05 0.00 0.00 54.13 52.94 1t60 s LEU 63 Cb 0.00 0.44 -0.03 0.00 -2.05 0.00 0.00 46.19 44.55 1t60 s LEU 63 CO 0.06 -0.91 -0.12 0.72 -0.55 0.00 0.00 176.35 175.56 1t60 s PHE 64 N -3.95 1.16 0.06 3.48 -0.12 -1.04 -5.00 117.98 112.57 1t60 s PHE 64 Ca 0.39 -0.56 0.06 0.00 -0.05 0.00 0.00 56.93 56.77 1t60 s PHE 64 Cb 0.06 -0.63 -0.03 0.00 -0.63 0.00 0.00 43.02 41.79 1t60 s PHE 64 CO 0.17 0.04 -0.17 0.00 -0.05 0.00 0.00 175.22 175.21 1t60 s ASN 66 N -1.42 4.70 0.00 0.00 2.20 -0.41 -4.97 114.94 115.04 1t60 s ASN 66 Ca 0.03 -1.21 0.15 0.00 -0.94 0.00 0.00 52.86 50.89 1t60 s ASN 66 Cb -0.09 0.54 0.69 0.00 -2.00 0.00 0.00 41.25 40.40 1t60 s ASN 66 CO 0.02 -1.25 1.48 2.30 -2.94 0.00 0.00 177.10 176.71 1t60 n ILE 67 N -1.94 0.83 0.34 0.54 -5.35 -1.26 -1.46 119.36 111.06 1t60 n ILE 67 Ca 0.02 0.21 0.10 0.00 -0.27 0.00 0.00 62.75 62.81 1t60 n ILE 67 Cb 0.64 -0.95 0.26 0.00 -1.74 0.00 0.00 39.64 37.85 1t60 n ILE 67 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1t60 n ASN 68 N -1.44 2.96 -1.88 7.28 3.02 -1.26 -4.92 115.26 119.02 1t60 n ASN 68 Ca 0.05 -1.96 -0.15 0.00 -0.03 0.00 0.00 54.58 52.49 1t60 n ASN 68 Cb 0.16 -0.32 0.01 0.00 -0.61 0.00 0.00 39.78 39.02 1t60 n ASN 68 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1t60 n ASN 69 N 1.13 -4.49 -4.37 6.41 3.02 -0.54 -5.01 115.26 111.40 1t60 n ASN 69 Ca 0.19 -0.12 -0.33 0.00 -0.03 0.00 0.00 54.58 54.29 1t60 n ASN 69 Cb 0.49 -3.49 -0.14 0.00 -0.61 0.00 0.00 39.78 36.03 1t60 n ASN 69 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1t60 s VAL 70 N -2.85 3.08 -0.04 2.41 1.01 -1.26 -4.92 120.40 117.82 1t60 s VAL 70 Ca 0.12 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1t60 s VAL 70 Cb -0.05 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1t60 s VAL 70 CO 0.14 0.52 -0.07 0.00 0.00 0.00 0.00 175.10 175.70 1t60 s ASN 72 N -1.02 3.20 -0.17 0.00 0.01 0.18 -4.98 114.94 112.15 1t60 s ASN 72 Ca 0.14 -0.54 -0.00 0.00 -0.71 0.00 0.00 52.86 51.74 1t60 s ASN 72 Cb -0.11 -1.44 0.00 0.00 0.41 0.00 0.00 41.25 40.11 1t60 s ASN 72 CO 0.03 0.14 -0.14 0.12 -1.51 0.00 0.00 177.10 175.75 1t60 s PHE 73 N 0.46 2.82 -0.85 2.20 5.36 -1.26 -2.49 117.98 124.22 1t60 s PHE 73 Ca -0.15 -1.14 0.00 0.00 -0.96 0.00 0.00 56.93 54.68 1t60 s PHE 73 Cb -0.17 -1.94 0.00 0.00 -0.34 0.00 0.00 43.02 40.57 1t60 s PHE 73 CO 0.06 -0.55 0.00 0.00 -1.46 0.00 0.00 175.22 173.27 1t60 n ALA 74 N 4.32 -0.79 -0.01 11.12 0.00 -1.26 -4.83 120.51 129.06 1t60 n ALA 74 Ca -0.19 0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.40 1t60 n ALA 74 Cb 0.51 -1.29 -0.15 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.66 0.11 0.00 0.00 7.64 -1.26 -4.68 113.62 113.77 1t60 n SER 75 Ca -0.12 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1t60 n SER 75 Cb 0.58 1.62 0.00 0.00 -1.01 0.00 0.00 64.21 65.39 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 -2.41 1.70 -3.14 1.43 0.63 -1.26 -5.06 116.66 108.56 1t60 n ARG 76 Ca -0.09 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.62 1t60 n ARG 76 Cb 0.68 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.55 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 2.16 -4.97 6.15 3.02 -1.26 -4.86 115.26 115.50 1t60 n ASN 77 Ca 0.00 -3.22 -0.18 0.00 -0.03 0.00 0.00 54.58 51.15 1t60 n ASN 77 Cb 0.00 -0.61 -0.00 0.00 -0.61 0.00 0.00 39.78 38.56 1t60 n ASN 77 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1t60 s ASP 78 N -2.58 5.61 0.23 6.41 -0.00 -1.26 -4.87 116.67 120.21 1t60 s ASP 78 Ca 0.42 -0.42 0.04 0.00 -0.00 0.00 0.00 52.55 52.59 1t60 s ASP 78 Cb 0.28 -0.82 -0.05 0.00 -0.00 0.00 0.00 42.92 42.33 1t60 s ASP 78 CO -0.10 -0.62 -0.03 -0.31 -0.00 0.00 0.00 175.17 174.11 1t60 s TYR 79 N -2.32 1.60 -0.00 4.23 1.51 -0.58 -2.23 117.35 119.56 1t60 s TYR 79 Ca 0.50 -0.85 -0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1t60 s TYR 79 Cb -0.08 -0.91 -0.00 0.00 -0.11 0.00 0.00 41.96 40.86 1t60 s TYR 79 CO 0.31 0.05 0.02 -1.54 -1.11 0.00 0.00 175.55 173.28 1t60 s SER 80 N -3.31 0.03 -0.05 2.29 1.04 -0.57 -1.84 113.70 111.27 1t60 s SER 80 Ca 0.27 -0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.66 1t60 s SER 80 Cb 0.05 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.25 1t60 s SER 80 CO 0.08 -0.08 -0.12 -0.31 0.98 0.00 0.00 173.24 173.79 1t60 s TYR 81 N -0.33 1.36 0.06 5.02 2.02 0.59 -0.70 117.35 125.38 1t60 s TYR 81 Ca -0.04 -0.45 0.06 0.00 -0.37 0.00 0.00 57.07 56.27 1t60 s TYR 81 Cb -0.02 -0.99 -0.03 0.00 -0.40 0.00 0.00 41.96 40.52 1t60 s TYR 81 CO -0.00 -0.22 -0.16 -1.58 -1.57 0.00 0.00 175.55 172.02 1t60 s TRP 82 N 0.48 1.38 0.44 2.71 0.52 -1.08 -0.43 118.94 122.96 1t60 s TRP 82 Ca -0.10 -0.40 -0.25 0.00 0.02 0.00 0.00 56.10 55.36 1t60 s TRP 82 Cb -0.14 -0.80 -0.08 0.00 -1.15 0.00 0.00 33.47 31.31 1t60 s TRP 82 CO 0.03 0.08 1.36 -0.51 0.02 0.00 0.00 176.95 177.93 1t60 s LEU 83 N -1.48 4.14 0.47 2.99 1.43 -0.40 -0.99 118.68 124.84 1t60 s LEU 83 Ca 0.02 2.78 0.06 0.00 -1.03 0.00 0.00 54.13 55.96 1t60 s LEU 83 Cb -0.09 -3.95 -0.00 0.00 0.03 0.00 0.00 46.19 42.18 1t60 s LEU 83 CO 0.02 -1.05 0.32 -0.94 0.23 0.00 0.00 176.35 174.93 1t60 s SER 84 N -0.66 4.65 0.46 2.29 1.04 0.29 -1.20 113.70 120.57 1t60 s SER 84 Ca 0.60 -1.10 0.07 0.00 0.48 0.00 0.00 55.95 56.00 1t60 s SER 84 Cb -0.41 -0.08 0.07 0.00 0.10 0.00 0.00 66.02 65.70 1t60 s SER 84 CO 0.52 -0.82 0.56 0.35 0.98 0.00 0.00 173.24 174.83 1t60 n THR 85 N -1.54 0.00 1.65 2.02 -2.24 -0.28 -4.52 114.28 109.38 1t60 n THR 85 Ca -0.01 -1.59 0.15 0.00 -2.27 0.00 0.00 64.05 60.32 1t60 n THR 85 Cb 0.64 -0.49 0.82 0.00 -2.10 0.00 0.00 70.33 69.20 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 -1.89 0.71 -1.70 -0.78 -0.02 -1.26 -4.88 135.00 125.18 1t60 n PRO 86 Ca 0.09 0.01 -0.56 0.00 -2.02 0.00 0.00 63.50 61.02 1t60 n PRO 86 Cb 0.48 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.39 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 -1.12 1.24 -2.19 -0.52 4.07 -1.26 -4.90 120.64 115.95 1t60 n GLU 87 Ca 0.19 0.45 -0.37 0.00 -0.06 0.00 0.00 57.16 57.37 1t60 n GLU 87 Cb 0.16 -2.15 -0.00 0.00 -0.06 0.00 0.00 31.44 29.39 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 3.39 3.72 0.47 5.31 0.02 -1.26 -4.97 135.00 141.68 1t60 s PRO 88 Ca 0.97 1.86 -0.20 0.00 0.02 0.00 0.00 61.00 63.65 1t60 s PRO 88 Cb -1.03 -2.43 -0.09 0.00 0.02 0.00 0.00 34.50 30.96 1t60 s PRO 88 CO 0.63 -0.60 0.99 0.00 -0.33 0.00 0.00 177.00 177.69 1t60 s MET 89 N -2.66 3.98 0.73 5.54 0.23 -1.26 -5.00 119.30 120.86 1t60 s MET 89 Ca 0.64 1.21 -0.16 0.00 -1.03 0.00 0.00 55.69 56.34 1t60 s MET 89 Cb -0.31 -2.13 -0.03 0.00 -1.53 0.00 0.00 34.83 30.83 1t60 s MET 89 CO 0.37 -0.26 0.61 -2.30 -2.03 0.00 0.00 175.02 171.42 1t60 n PRO 90 N -0.93 0.31 -0.09 3.16 -0.02 -1.26 -4.87 135.00 131.30 1t60 n PRO 90 Ca 0.08 0.15 -0.01 0.00 -2.02 0.00 0.00 63.50 61.70 1t60 n PRO 90 Cb 0.53 -1.90 0.25 0.00 -0.02 0.00 0.00 33.50 32.36 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 -0.40 0.74 0.00 -0.52 1.85 -1.97 -2.39 114.93 112.24 1t60 h MET 91 Ca -0.46 -0.12 -0.01 0.00 -0.61 0.00 0.00 59.70 58.50 1t60 h MET 91 Cb 1.34 -0.13 -0.00 0.00 0.43 0.00 0.00 31.60 33.25 1t60 h MET 91 CO 0.43 0.64 -0.04 0.66 -0.40 0.00 0.00 176.91 178.20 1t60 h SER 92 N 0.73 0.00 -0.27 1.39 4.64 -2.04 -3.45 113.55 114.54 1t60 h SER 92 Ca 0.17 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.37 1t60 h SER 92 Cb 0.20 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.25 1t60 h SER 92 CO -0.01 0.04 -0.11 0.23 -0.87 0.00 0.00 176.83 176.12 1t60 n MET 93 N -3.56 -0.94 -3.02 4.77 0.00 -0.90 -5.00 117.12 108.48 1t60 n MET 93 Ca -0.02 0.59 -0.30 0.00 0.00 0.00 0.00 57.70 57.97 1t60 n MET 93 Cb 0.15 -4.48 -0.03 0.00 0.00 0.00 0.00 33.22 28.85 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 -1.94 3.44 0.33 3.04 0.00 -1.26 -5.00 121.76 120.38 1t60 s ALA 94 Ca 0.00 -0.33 -0.26 0.00 0.00 0.00 0.00 51.96 51.37 1t60 s ALA 94 Cb 0.00 -2.56 -0.13 0.00 0.00 0.00 0.00 23.12 20.42 1t60 s ALA 94 CO 0.00 0.07 0.91 -2.30 0.00 0.00 0.00 175.76 174.45 1t60 n PRO 95 N -1.19 1.16 -3.64 0.00 -0.02 -1.26 -4.83 135.00 125.23 1t60 n PRO 95 Ca 0.01 0.41 -0.35 0.00 -2.02 0.00 0.00 63.50 61.55 1t60 n PRO 95 Cb 0.54 -1.79 -0.05 0.00 -0.02 0.00 0.00 33.50 32.17 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 -1.17 5.17 0.11 4.25 1.01 0.79 -4.88 121.20 126.48 1t60 s ILE 96 Ca 0.61 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.67 1t60 s ILE 96 Cb -0.66 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 1t60 s ILE 96 CO 0.59 0.38 -0.00 0.42 0.00 0.00 0.00 174.94 176.32 1t60 s THR 97 N -1.30 0.38 0.00 2.92 -4.23 -1.26 -1.13 115.64 111.02 1t60 s THR 97 Ca 0.29 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 1t60 s THR 97 Cb -0.14 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 71.86 1t60 s THR 97 CO 0.16 -0.70 0.00 0.61 -0.54 0.00 0.00 174.62 174.15 1t60 n GLY 98 N -0.06 2.41 0.32 3.99 0.00 -1.26 -2.07 105.19 108.52 1t60 n GLY 98 Ca -0.09 -0.23 0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.14 114.58 117.45 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 -4.01 0.33 0.06 1.42 3.02 -0.88 -2.20 115.26 113.00 1t60 n ASN 100 Ca 0.00 0.61 -0.16 0.00 -0.03 0.00 0.00 54.58 55.01 1t60 n ASN 100 Cb 0.25 -0.67 -0.07 0.00 -0.61 0.00 0.00 39.78 38.68 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 1.37 -0.95 2.41 2.04 -1.28 -3.37 117.51 117.72 1t60 h ILE 101 Ca 0.00 -2.43 0.27 0.00 1.00 0.00 0.00 64.86 63.70 1t60 h ILE 101 Cb 0.16 2.46 -0.17 0.00 -0.74 0.00 0.00 36.82 38.53 1t60 h ILE 101 CO 0.00 0.73 0.10 -0.09 0.00 0.00 0.00 178.15 178.89 1t60 h ARG 102 N 0.27 0.05 0.00 2.37 2.43 -1.62 -0.05 114.38 117.83 1t60 h ARG 102 Ca -0.10 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1t60 h ARG 102 Cb 1.65 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.19 1t60 h ARG 102 CO 0.18 0.03 0.00 -1.35 -1.51 0.00 0.00 179.97 177.32 1t60 h PRO 103 N 0.05 0.00 0.00 0.20 0.11 -1.79 -2.84 132.00 127.72 1t60 h PRO 103 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 1t60 h PRO 103 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1t60 h PRO 103 CO -0.85 0.00 -0.95 1.19 -0.21 0.00 0.00 178.00 177.18 1t60 n PHE 104 N -2.50 0.29 -3.24 0.65 3.01 -0.03 -4.53 117.46 111.11 1t60 n PHE 104 Ca -0.01 0.08 -0.39 0.00 1.01 0.00 0.00 57.45 58.14 1t60 n PHE 104 Cb 0.10 -0.45 -0.07 0.00 -0.01 0.00 0.00 39.48 39.06 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 -3.18 5.11 0.59 4.37 -1.09 -1.08 -1.12 121.20 124.80 1t60 s ILE 105 Ca 0.04 0.98 -0.18 0.00 -2.23 0.00 0.00 60.65 59.26 1t60 s ILE 105 Cb 0.14 -3.85 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1t60 s ILE 105 CO 0.79 0.19 1.17 -0.55 -1.23 0.00 0.00 174.94 175.30 1t60 s SER 106 N 1.11 5.29 0.28 3.58 0.15 -0.34 -4.46 113.70 119.29 1t60 s SER 106 Ca 0.25 2.26 0.08 0.00 0.70 0.00 0.00 55.95 59.24 1t60 s SER 106 Cb -0.15 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.53 1t60 s SER 106 CO 0.10 -1.52 0.18 -0.13 1.20 0.00 0.00 173.24 173.07 1t60 s ARG 107 N -3.46 2.75 0.19 5.44 1.81 -0.83 -1.38 118.95 123.47 1t60 s ARG 107 Ca 0.74 -1.19 -0.03 0.00 -1.72 0.00 0.00 55.73 53.53 1t60 s ARG 107 Cb -0.27 -2.46 -0.03 0.00 -0.45 0.00 0.00 34.95 31.74 1t60 s ARG 107 CO 0.33 0.32 0.17 0.00 -0.68 0.00 0.00 175.30 175.44 1t60 s ALA 109 N -4.10 0.46 -0.20 0.00 0.00 -0.04 -1.77 121.76 116.12 1t60 s ALA 109 Ca 0.31 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.19 1t60 s ALA 109 Cb 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1t60 s ALA 109 CO 0.08 0.02 -0.01 0.08 0.00 0.00 0.00 175.76 175.93 1t60 s VAL 110 N 0.55 3.91 0.15 0.00 1.01 -0.37 -1.18 120.40 124.47 1t60 s VAL 110 Ca -0.06 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1t60 s VAL 110 Cb -0.10 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1t60 s VAL 110 CO -0.00 0.43 -0.16 0.00 0.00 0.00 0.00 175.10 175.37 1t60 s GLU 112 N -2.85 4.28 0.11 0.00 2.02 0.13 -0.02 118.70 122.38 1t60 s GLU 112 Ca 0.13 0.54 0.08 0.00 0.02 0.00 0.00 54.97 55.73 1t60 s GLU 112 Cb -0.05 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 1t60 s GLU 112 CO 0.05 -0.03 -0.12 0.00 0.02 0.00 0.00 175.26 175.18 1t60 s ALA 113 N 1.22 2.90 -1.30 5.21 0.00 0.15 -1.76 121.76 128.18 1t60 s ALA 113 Ca 0.28 -1.28 0.27 0.00 0.00 0.00 0.00 51.96 51.23 1t60 s ALA 113 Cb -0.16 -0.84 0.97 0.00 0.00 0.00 0.00 23.12 23.10 1t60 s ALA 113 CO 0.11 0.62 1.72 -0.35 0.00 0.00 0.00 175.76 177.87 1t60 n PRO 114 N 0.68 0.32 -3.98 0.00 -0.04 -1.26 -3.12 135.00 127.60 1t60 n PRO 114 Ca -0.14 -0.12 -0.09 0.00 -0.04 0.00 0.00 63.50 63.10 1t60 n PRO 114 Cb 0.53 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 1t60 n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t60 s ALA 115 N -2.77 -0.30 0.69 0.55 0.00 -1.26 -4.93 121.76 113.73 1t60 s ALA 115 Ca 0.19 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 51.15 1t60 s ALA 115 Cb 0.19 1.02 0.01 0.00 0.00 0.00 0.00 23.12 24.34 1t60 s ALA 115 CO 0.56 -0.88 1.12 -1.64 0.00 0.00 0.00 175.76 174.91 1t60 s MET 116 N -3.78 2.63 0.03 0.00 -1.94 -1.26 -4.81 119.30 110.17 1t60 s MET 116 Ca 0.21 1.39 0.05 0.00 -1.71 0.00 0.00 55.69 55.63 1t60 s MET 116 Cb -0.02 -1.93 -0.02 0.00 2.01 0.00 0.00 34.83 34.88 1t60 s MET 116 CO 0.10 -1.39 -0.14 0.08 -0.01 0.00 0.00 175.02 173.66 1t60 s VAL 117 N -2.39 1.10 0.17 -6.03 1.01 -1.26 -1.97 120.40 111.02 1t60 s VAL 117 Ca 0.67 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 1t60 s VAL 117 Cb -0.21 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1t60 s VAL 117 CO 0.44 0.03 0.19 0.00 0.00 0.00 0.00 175.10 175.77 1t60 s MET 118 N -1.05 1.13 0.02 2.72 0.23 -0.18 -4.81 119.30 117.36 1t60 s MET 118 Ca 0.02 -1.38 0.08 0.00 -1.03 0.00 0.00 55.69 53.38 1t60 s MET 118 Cb -0.08 0.32 -0.03 0.00 -1.53 0.00 0.00 34.83 33.51 1t60 s MET 118 CO 0.01 -0.38 -0.24 0.00 -2.03 0.00 0.00 175.02 172.38 1t60 s ALA 119 N -4.05 2.34 0.05 3.16 0.00 -0.62 -0.75 121.76 121.89 1t60 s ALA 119 Ca 0.25 -1.20 0.07 0.00 0.00 0.00 0.00 51.96 51.09 1t60 s ALA 119 Cb 0.05 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 1t60 s ALA 119 CO 0.04 0.54 -0.20 0.14 0.00 0.00 0.00 175.76 176.29 1t60 s VAL 120 N -0.78 1.59 -0.03 0.00 -7.23 -0.69 -4.56 120.40 108.69 1t60 s VAL 120 Ca 0.12 -1.19 0.06 0.00 -1.81 0.00 0.00 61.98 59.16 1t60 s VAL 120 Cb -0.10 -1.39 -0.01 0.00 0.56 0.00 0.00 36.38 35.43 1t60 s VAL 120 CO 0.02 0.16 -0.22 -1.00 -0.31 0.00 0.00 175.10 173.75 1t60 s HIS 121 N -0.82 2.06 -0.01 2.82 3.76 -1.26 -1.92 115.29 119.91 1t60 s HIS 121 Ca 0.07 -0.50 0.09 0.00 -0.15 0.00 0.00 55.06 54.56 1t60 s HIS 121 Cb -0.09 -1.35 -0.23 0.00 1.11 0.00 0.00 32.58 32.02 1t60 s HIS 121 CO 0.02 -0.11 0.78 0.66 -0.85 0.00 0.00 174.74 175.24 1t60 h SER 122 N 5.85 0.07 -2.55 1.40 4.64 -1.69 -3.48 113.55 117.80 1t60 h SER 122 Ca -0.36 -0.12 -0.26 0.00 -0.47 0.00 0.00 61.79 60.57 1t60 h SER 122 Cb 1.15 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 63.24 1t60 h SER 122 CO 0.47 1.11 -0.37 0.00 -0.87 0.00 0.00 176.83 177.17 1t60 n GLN 123 N -3.17 -2.28 -3.98 4.77 6.02 -1.26 -4.94 117.38 112.54 1t60 n GLN 123 Ca -0.15 0.60 -0.12 0.00 -0.01 0.00 0.00 57.00 57.32 1t60 n GLN 123 Cb 1.03 -4.80 -0.02 0.00 1.02 0.00 0.00 30.24 27.47 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 -2.83 0.00 -1.50 5.09 -4.23 -1.26 -0.19 115.64 110.72 1t60 s THR 124 Ca 0.11 -1.37 0.30 0.00 -1.18 0.00 0.00 61.69 59.56 1t60 s THR 124 Cb -0.05 -2.71 0.54 0.00 1.34 0.00 0.00 72.50 71.63 1t60 s THR 124 CO 0.14 0.00 2.04 2.30 -0.54 0.00 0.00 174.62 178.56 1t60 n ILE 125 N -0.55 0.00 -3.06 2.99 -5.35 -1.26 -2.10 119.36 110.03 1t60 n ILE 125 Ca -0.03 -0.01 -0.34 0.00 -0.27 0.00 0.00 62.75 62.11 1t60 n ILE 125 Cb 0.61 -0.43 -0.06 0.00 -1.74 0.00 0.00 39.64 38.02 1t60 n ILE 125 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1t60 s GLN 126 N -2.51 4.13 -0.08 6.28 1.11 -1.26 -4.82 119.66 122.50 1t60 s GLN 126 Ca 0.30 0.82 -0.30 0.00 0.01 0.00 0.00 55.36 56.20 1t60 s GLN 126 Cb 0.20 -2.53 -0.02 0.00 -1.01 0.00 0.00 33.01 29.66 1t60 s GLN 126 CO 0.46 0.20 1.02 0.42 0.01 0.00 0.00 175.29 177.40 1t60 s ILE 127 N -1.87 4.74 0.20 1.08 -1.09 -1.26 -4.44 121.20 118.56 1t60 s ILE 127 Ca 0.52 2.00 -0.30 0.00 -2.23 0.00 0.00 60.65 60.65 1t60 s ILE 127 Cb -0.12 -4.29 -0.08 0.00 -1.58 0.00 0.00 42.46 36.39 1t60 s ILE 127 CO 0.18 0.03 1.13 -2.16 -1.23 0.00 0.00 174.94 172.88 1t60 s PRO 128 N 1.88 4.57 0.59 2.79 0.04 -1.26 -5.00 135.00 138.60 1t60 s PRO 128 Ca 0.50 1.78 -0.17 0.00 0.04 0.00 0.00 61.00 63.14 1t60 s PRO 128 Cb -0.19 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1t60 s PRO 128 CO 0.20 0.06 1.09 -0.65 0.04 0.00 0.00 177.00 177.74 1t60 s GLN 129 N -0.54 3.22 0.59 4.56 -0.21 -1.26 -4.54 119.66 121.48 1t60 s GLN 129 Ca 0.49 1.39 -0.17 0.00 0.02 0.00 0.00 55.36 57.10 1t60 s GLN 129 Cb -0.31 -2.01 -0.03 0.00 1.00 0.00 0.00 33.01 31.66 1t60 s GLN 129 CO 0.37 -0.92 1.08 0.00 -2.12 0.00 0.00 175.29 173.70 1t60 s PRO 131 N -3.86 2.25 0.03 0.00 0.02 -1.26 -4.86 135.00 127.32 1t60 s PRO 131 Ca 0.66 1.46 -0.34 0.00 0.02 0.00 0.00 61.00 62.80 1t60 s PRO 131 Cb -0.19 -1.88 -0.13 0.00 0.02 0.00 0.00 34.50 32.33 1t60 s PRO 131 CO 0.35 -1.69 1.74 2.41 -0.33 0.00 0.00 177.00 179.48 1t60 n THR 132 N -3.00 0.31 -0.07 0.99 -1.04 -1.26 -1.09 114.28 109.12 1t60 n THR 132 Ca 0.11 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1t60 n THR 132 Cb 0.52 -1.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 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 3.93 0.47 3.63 3.41 0.00 -1.26 -5.07 105.19 110.31 1t60 n GLY 133 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.19 2.99 0.01 1.61 0.52 -0.25 -3.36 118.94 118.27 1t60 s TRP 134 Ca 0.00 0.03 0.02 0.00 0.02 0.00 0.00 56.10 56.17 1t60 s TRP 134 Cb 0.00 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.62 1t60 s TRP 134 CO 0.00 0.41 0.00 -1.12 0.02 0.00 0.00 176.95 176.26 1t60 s SER 135 N -1.34 5.11 0.20 2.95 0.01 0.12 -4.68 113.70 116.06 1t60 s SER 135 Ca 0.17 -0.02 -0.30 0.00 1.31 0.00 0.00 55.95 57.11 1t60 s SER 135 Cb -0.11 -1.32 -0.08 0.00 0.21 0.00 0.00 66.02 64.71 1t60 s SER 135 CO 0.07 0.27 1.22 -0.55 0.41 0.00 0.00 173.24 174.67 1t60 s SER 136 N -1.61 7.04 -0.18 2.44 0.15 -1.26 -0.30 113.70 119.98 1t60 s SER 136 Ca 0.20 2.29 -0.01 0.00 0.70 0.00 0.00 55.95 59.13 1t60 s SER 136 Cb -0.12 -2.61 -0.11 0.00 -1.71 0.00 0.00 66.02 61.48 1t60 s SER 136 CO 0.11 -0.41 -0.18 0.18 1.20 0.00 0.00 173.24 174.14 1t60 n LEU 137 N 2.43 2.57 -3.64 3.45 4.77 0.18 -4.90 117.00 121.86 1t60 n LEU 137 Ca 0.04 -0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 55.98 1t60 n LEU 137 Cb 0.44 -0.60 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1t60 n LEU 137 CO 0.56 0.70 0.83 -1.66 -1.33 0.00 0.00 177.39 176.49 1t60 s TRP 138 N -2.35 -0.16 0.33 -1.77 -2.14 -1.12 -4.87 118.94 106.86 1t60 s TRP 138 Ca -0.24 -0.03 0.10 0.00 2.66 0.00 0.00 56.10 58.59 1t60 s TRP 138 Cb 0.07 0.58 -0.06 0.00 -3.10 0.00 0.00 33.47 30.96 1t60 s TRP 138 CO 0.39 -0.55 -0.11 0.96 -2.66 0.00 0.00 176.95 174.98 1t60 s ILE 139 N -2.92 2.21 0.00 0.66 -4.36 -1.26 -0.05 121.20 115.48 1t60 s ILE 139 Ca 0.11 -2.23 0.00 0.00 -0.26 0.00 0.00 60.65 58.27 1t60 s ILE 139 Cb 0.00 -2.57 0.00 0.00 1.25 0.00 0.00 42.46 41.14 1t60 s ILE 139 CO -0.03 -0.24 0.00 0.61 0.24 0.00 0.00 174.94 175.52 1t60 n GLY 140 N -0.74 1.50 3.31 6.27 0.00 -0.47 -4.45 105.19 110.60 1t60 n GLY 140 Ca -0.05 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.11 2.33 -0.55 1.61 1.51 0.44 -1.77 117.35 119.81 1t60 s TYR 141 Ca 0.00 -0.44 -0.27 0.00 -1.01 0.00 0.00 57.07 55.36 1t60 s TYR 141 Cb 0.00 -1.49 -0.02 0.00 -0.11 0.00 0.00 41.96 40.33 1t60 s TYR 141 CO 0.00 -0.03 1.89 -1.12 -1.11 0.00 0.00 175.55 175.18 1t60 s SER 142 N -0.66 5.31 -0.33 2.29 0.01 -0.65 -1.84 113.70 117.84 1t60 s SER 142 Ca 0.10 0.56 -0.13 0.00 1.31 0.00 0.00 55.95 57.80 1t60 s SER 142 Cb -0.10 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 1t60 s SER 142 CO -0.01 -2.30 0.24 0.12 0.41 0.00 0.00 173.24 171.70 1t60 s PHE 143 N 8.94 3.23 -0.23 2.43 5.36 0.68 -1.70 117.98 136.69 1t60 s PHE 143 Ca 0.72 -0.17 -0.16 0.00 -0.96 0.00 0.00 56.93 56.36 1t60 s PHE 143 Cb -0.15 -2.47 -0.10 0.00 -0.34 0.00 0.00 43.02 39.97 1t60 s PHE 143 CO 0.23 -0.34 -0.29 0.28 -1.46 0.00 0.00 175.22 173.65 1t60 n VAL 144 N 5.10 1.51 -3.73 3.12 0.31 -0.15 -4.41 118.33 120.09 1t60 n VAL 144 Ca -0.13 -0.15 -0.08 0.00 -0.01 0.00 0.00 64.34 63.97 1t60 n VAL 144 Cb 0.50 -2.08 0.02 0.00 -0.91 0.00 0.00 33.84 31.37 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 -4.36 0.93 -3.46 5.55 0.00 -1.12 -0.65 117.12 114.01 1t60 n MET 145 Ca -0.37 -1.99 -0.11 0.00 0.00 0.00 0.00 57.70 55.23 1t60 n MET 145 Cb 0.71 2.39 -0.02 0.00 0.00 0.00 0.00 33.22 36.30 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 -3.13 -0.47 0.02 3.17 -3.43 -0.64 -0.54 115.29 110.28 1t60 s HIS 146 Ca 0.15 0.27 -0.05 0.00 -0.80 0.00 0.00 55.06 54.64 1t60 s HIS 146 Cb -0.04 0.56 -0.01 0.00 -1.43 0.00 0.00 32.58 31.66 1t60 s HIS 146 CO 0.11 -0.76 0.08 0.95 -2.00 0.00 0.00 174.74 173.13 1t60 s THR 147 N -3.55 0.11 0.00 -5.38 -4.23 -0.81 -2.77 115.64 99.01 1t60 s THR 147 Ca 0.03 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1t60 s THR 147 Cb -0.01 -0.63 0.00 0.00 1.34 0.00 0.00 72.50 73.20 1t60 s THR 147 CO -0.11 -0.52 0.00 -0.24 -0.54 0.00 0.00 174.62 173.21 1t60 n SER 148 N 1.14 0.00 -4.67 3.99 2.88 -0.35 -1.02 113.62 115.60 1t60 n SER 148 Ca -0.21 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 56.87 1t60 n SER 148 Cb 0.57 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.99 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 1.16 -1.35 -1.46 0.00 -1.26 -1.44 120.51 113.16 1t60 n ALA 149 Ca 0.00 0.43 -0.12 0.00 0.00 0.00 0.00 53.44 53.75 1t60 n ALA 149 Cb 0.00 -2.30 -0.05 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 2.69 1.21 2.60 0.00 0.00 -1.26 -1.95 105.19 108.49 1t60 n GLY 150 Ca 0.14 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 1.22 -0.30 -2.28 4.61 0.00 -0.52 -4.97 120.51 118.28 1t60 n ALA 151 Ca -0.12 0.32 -0.28 0.00 0.00 0.00 0.00 53.44 53.36 1t60 n ALA 151 Cb 0.51 -2.01 -0.01 0.00 0.00 0.00 0.00 19.45 17.95 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 -3.68 3.59 0.00 0.00 0.41 -0.82 -4.73 118.70 113.47 1t60 s GLU 152 Ca 0.00 0.23 0.00 0.00 -0.41 0.00 0.00 54.97 54.79 1t60 s GLU 152 Cb 0.00 -2.40 0.00 0.00 -1.78 0.00 0.00 34.13 29.95 1t60 s GLU 152 CO 0.00 -0.15 0.00 0.41 -0.49 0.00 0.00 175.26 175.03 1t60 n GLY 153 N -2.01 0.77 1.78 -1.39 0.00 -1.26 -1.21 105.19 101.87 1t60 n GLY 153 Ca 0.01 -0.51 -0.04 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.04 -1.73 1.61 3.41 -1.12 -4.67 113.62 110.08 1t60 n SER 154 Ca 0.00 -1.70 -0.05 0.00 -0.26 0.00 0.00 58.87 56.86 1t60 n SER 154 Cb 0.00 1.73 -0.01 0.00 -0.26 0.00 0.00 64.21 65.68 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 -0.27 2.59 3.59 5.00 0.00 -1.26 -1.62 105.19 113.22 1t60 n GLY 155 Ca -0.04 -1.41 -0.26 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.26 2.13 -0.17 1.61 -1.52 0.18 -4.78 119.66 114.85 1t60 s GLN 156 Ca 0.10 -1.27 -0.28 0.00 -1.95 0.00 0.00 55.36 51.96 1t60 s GLN 156 Cb -0.01 -2.18 -0.01 0.00 -0.22 0.00 0.00 33.01 30.60 1t60 s GLN 156 CO 0.07 0.43 0.96 0.00 -0.25 0.00 0.00 175.29 176.50 1t60 s ALA 157 N -1.80 3.53 -0.90 6.09 0.00 -1.26 -4.91 121.76 122.52 1t60 s ALA 157 Ca 0.26 0.20 0.09 0.00 0.00 0.00 0.00 51.96 52.51 1t60 s ALA 157 Cb -0.08 -3.41 0.40 0.00 0.00 0.00 0.00 23.12 20.03 1t60 s ALA 157 CO 0.16 -0.77 1.28 1.28 0.00 0.00 0.00 175.76 177.71 1t60 n LEU 158 N 5.52 0.09 -0.01 0.00 4.77 -1.26 -0.52 117.00 125.59 1t60 n LEU 158 Ca 0.08 0.53 0.11 0.00 -0.03 0.00 0.00 56.01 56.71 1t60 n LEU 158 Cb 0.48 -0.53 0.11 0.00 -2.33 0.00 0.00 43.42 41.15 1t60 n LEU 158 CO 0.51 -0.45 0.27 0.00 -1.33 0.00 0.00 177.39 176.38 1t60 n ALA 159 N -1.54 4.00 -2.52 -1.18 0.00 -1.26 -4.62 120.51 113.39 1t60 n ALA 159 Ca 0.01 -0.45 -0.30 0.00 0.00 0.00 0.00 53.44 52.71 1t60 n ALA 159 Cb 0.08 -0.99 -0.04 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 -2.99 6.51 0.63 0.00 0.15 0.32 -1.59 113.70 116.72 1t60 s SER 160 Ca 0.10 0.75 0.41 0.00 0.70 0.00 0.00 55.95 57.91 1t60 s SER 160 Cb 0.17 -2.16 2.11 0.00 -1.71 0.00 0.00 66.02 64.43 1t60 s SER 160 CO 0.76 -0.11 2.25 -0.65 1.20 0.00 0.00 173.24 176.68 1t60 h PRO 161 N 2.14 0.00 0.00 5.44 0.11 -1.86 -1.92 132.00 135.91 1t60 h PRO 161 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 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 0.00 0.78 -0.21 0.00 0.00 178.00 179.25 1t60 h GLY 162 N 0.59 0.00 -0.87 -0.55 0.00 -1.85 -1.20 103.07 99.20 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 -3.04 1.65 -3.80 0.19 3.41 -0.72 -4.56 113.62 106.76 1t60 n SER 163 Ca -0.01 -1.76 -0.29 0.00 -0.26 0.00 0.00 58.87 56.55 1t60 n SER 163 Cb 0.18 -0.13 -0.13 0.00 -0.26 0.00 0.00 64.21 63.87 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 -0.08 4.40 0.45 0.00 1.43 -0.77 -4.73 118.68 119.39 1t60 s LEU 165 Ca 0.19 1.51 0.23 0.00 -1.03 0.00 0.00 54.13 55.04 1t60 s LEU 165 Cb -0.21 -3.37 1.03 0.00 0.03 0.00 0.00 46.19 43.67 1t60 s LEU 165 CO -0.03 -0.12 1.89 -0.33 0.23 0.00 0.00 176.35 177.99 1t60 h GLU 166 N 6.29 0.00 -4.36 1.70 5.08 -1.89 0.13 114.58 121.53 1t60 h GLU 166 Ca -0.42 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.39 1t60 h GLU 166 Cb 1.21 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.09 1t60 h GLU 166 CO 0.73 0.23 -0.81 -2.00 -1.00 0.00 0.00 179.01 176.16 1t60 s GLU 167 N -3.85 1.76 0.20 2.33 2.12 -1.26 -4.76 118.70 115.24 1t60 s GLU 167 Ca -0.01 -0.35 -0.30 0.00 0.36 0.00 0.00 54.97 54.67 1t60 s GLU 167 Cb 0.12 -1.75 -0.09 0.00 0.26 0.00 0.00 34.13 32.67 1t60 s GLU 167 CO 0.63 -0.26 1.28 0.12 -0.54 0.00 0.00 175.26 176.50 1t60 s PHE 168 N 1.64 3.29 -0.05 5.30 2.19 -1.26 -4.99 117.98 124.10 1t60 s PHE 168 Ca 0.05 1.28 -0.02 0.00 0.33 0.00 0.00 56.93 58.57 1t60 s PHE 168 Cb -0.13 -3.56 0.03 0.00 -1.31 0.00 0.00 43.02 38.06 1t60 s PHE 168 CO -0.09 -1.70 0.11 1.03 1.83 0.00 0.00 175.22 176.40 1t60 s ARG 169 N -0.24 0.05 0.33 10.12 1.81 -1.26 -5.03 118.95 124.73 1t60 s ARG 169 Ca 0.55 0.30 0.02 0.00 -1.72 0.00 0.00 55.73 54.88 1t60 s ARG 169 Cb -0.36 -0.19 0.57 0.00 -0.45 0.00 0.00 34.95 34.53 1t60 s ARG 169 CO 0.39 -0.16 1.91 0.77 -0.68 0.00 0.00 175.30 177.52 1t60 h SER 170 N 7.17 0.63 -3.43 0.23 0.02 -2.00 -3.27 113.55 112.91 1t60 h SER 170 Ca -0.43 -0.08 -0.62 0.00 -0.84 0.00 0.00 61.79 59.82 1t60 h SER 170 Cb 1.14 -0.16 -0.41 0.00 0.14 0.00 0.00 62.40 63.11 1t60 h SER 170 CO 0.44 0.60 -0.69 0.00 -1.14 0.00 0.00 176.83 176.04 1t60 s ALA 171 N -5.26 2.87 -1.57 3.77 0.00 -1.26 -4.29 121.76 116.02 1t60 s ALA 171 Ca -0.09 -3.14 0.29 0.00 0.00 0.00 0.00 51.96 49.02 1t60 s ALA 171 Cb 0.16 -2.01 1.53 0.00 0.00 0.00 0.00 23.12 22.80 1t60 s ALA 171 CO 0.77 -2.05 2.02 -0.35 0.00 0.00 0.00 175.76 176.15 1t60 n PRO 172 N 2.84 0.54 -4.11 0.00 -0.04 -1.24 -4.88 135.00 128.12 1t60 n PRO 172 Ca 0.14 0.01 -0.08 0.00 -0.04 0.00 0.00 63.50 63.53 1t60 n PRO 172 Cb 0.36 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 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 -2.43 0.66 0.11 0.54 -0.71 -1.26 -0.54 117.98 114.34 1t60 s PHE 173 Ca 0.31 -1.12 0.10 0.00 -1.04 0.00 0.00 56.93 55.18 1t60 s PHE 173 Cb 0.19 -0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 1t60 s PHE 173 CO 0.41 -0.45 -0.25 -1.50 -1.34 0.00 0.00 175.22 172.09 1t60 s ILE 174 N -3.98 2.39 -0.21 -4.49 2.07 -0.16 -4.79 121.20 112.03 1t60 s ILE 174 Ca 0.15 -1.63 -0.09 0.00 -1.41 0.00 0.00 60.65 57.67 1t60 s ILE 174 Cb 0.08 -2.05 -0.05 0.00 0.13 0.00 0.00 42.46 40.57 1t60 s ILE 174 CO -0.05 0.14 0.11 -0.70 -1.91 0.00 0.00 174.94 172.54 1t60 s GLU 175 N -1.93 4.05 0.22 3.50 2.12 -0.71 -2.64 118.70 123.30 1t60 s GLU 175 Ca 0.14 -0.29 0.11 0.00 0.36 0.00 0.00 54.97 55.30 1t60 s GLU 175 Cb -0.10 -3.39 -0.05 0.00 0.26 0.00 0.00 34.13 30.85 1t60 s GLU 175 CO 0.06 0.18 -0.23 0.00 -0.54 0.00 0.00 175.26 174.73 1t60 s HIS 177 N -1.91 2.15 0.56 0.00 0.09 0.66 -1.51 115.29 115.33 1t60 s HIS 177 Ca 0.23 -0.40 0.25 0.00 -0.00 0.00 0.00 55.06 55.15 1t60 s HIS 177 Cb -0.07 -0.95 1.64 0.00 -0.00 0.00 0.00 32.58 33.20 1t60 s HIS 177 CO 0.11 0.62 2.22 0.78 -0.00 0.00 0.00 174.74 178.47 1t60 h GLY 178 N 2.34 0.00 2.00 -2.22 0.00 -1.62 -0.87 103.07 102.69 1t60 h GLY 178 Ca -0.40 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1t60 h GLY 178 CO 0.61 0.00 -0.01 -0.09 0.00 0.00 0.00 176.54 177.05 1t60 h ARG 179 N 0.00 0.00 0.00 4.80 2.43 -1.87 -3.45 114.38 116.29 1t60 h ARG 179 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1t60 h ARG 179 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1t60 h ARG 179 CO 0.00 0.01 0.00 0.41 -1.51 0.00 0.00 179.97 178.88 1t60 n GLY 180 N -0.59 0.90 3.88 2.80 0.00 -0.33 -5.09 105.19 106.76 1t60 n GLY 180 Ca -0.01 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 5.24 0.05 2.61 -4.23 -1.25 -4.07 115.64 111.99 1t60 s THR 181 Ca 0.00 0.17 0.02 0.00 -1.18 0.00 0.00 61.69 60.69 1t60 s THR 181 Cb 0.00 -3.60 -0.03 0.00 1.34 0.00 0.00 72.50 70.22 1t60 s THR 181 CO 0.00 0.29 -0.07 0.00 -0.54 0.00 0.00 174.62 174.30 1t60 s ASN 183 N -1.87 -0.10 -0.19 0.00 2.47 0.12 -0.15 114.94 115.23 1t60 s ASN 183 Ca -0.06 -0.13 -0.09 0.00 0.42 0.00 0.00 52.86 52.99 1t60 s ASN 183 Cb -0.07 0.20 -0.05 0.00 -1.45 0.00 0.00 41.25 39.88 1t60 s ASN 183 CO -0.01 -0.36 0.12 -0.31 -3.72 0.00 0.00 177.10 172.83 1t60 s TYR 184 N -2.53 3.41 0.10 0.43 1.51 -1.26 -1.75 117.35 117.26 1t60 s TYR 184 Ca 0.13 0.32 0.08 0.00 -1.01 0.00 0.00 57.07 56.59 1t60 s TYR 184 Cb 0.03 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 1t60 s TYR 184 CO -0.04 0.32 -0.16 0.71 -1.11 0.00 0.00 175.55 175.28 1t60 s TYR 185 N 0.22 2.60 0.53 2.71 1.51 -1.26 -5.03 117.35 118.63 1t60 s TYR 185 Ca 0.08 -0.23 0.24 0.00 -1.01 0.00 0.00 57.07 56.15 1t60 s TYR 185 Cb -0.11 -1.39 1.39 0.00 -0.11 0.00 0.00 41.96 41.74 1t60 s TYR 185 CO -0.01 0.38 2.03 0.00 -1.11 0.00 0.00 175.55 176.84 1t60 h ALA 186 N 3.81 2.37 -0.01 3.71 0.00 -2.03 -2.47 119.26 124.65 1t60 h ALA 186 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1t60 h ALA 186 Cb 1.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1t60 h ALA 186 CO 0.48 -0.52 -0.02 0.27 0.00 0.00 0.00 179.25 179.46 1t60 n ASN 187 N -4.37 0.53 -4.74 0.00 6.94 -1.26 -4.86 115.26 107.49 1t60 n ASN 187 Ca 0.07 -1.06 -0.41 0.00 -0.02 0.00 0.00 54.58 53.16 1t60 n ASN 187 Cb 0.50 -0.02 -0.04 0.00 -2.36 0.00 0.00 39.78 37.86 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 -2.09 3.40 0.02 -2.53 0.00 -0.93 -4.62 121.76 115.00 1t60 s ALA 188 Ca 0.41 0.87 0.05 0.00 0.00 0.00 0.00 51.96 53.29 1t60 s ALA 188 Cb 0.21 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 1t60 s ALA 188 CO 0.38 -0.26 -0.14 0.71 0.00 0.00 0.00 175.76 176.45 1t60 s TYR 189 N -0.28 1.24 -0.08 0.00 1.51 -0.18 -5.00 117.35 114.56 1t60 s TYR 189 Ca 0.50 -0.30 0.03 0.00 -1.01 0.00 0.00 57.07 56.29 1t60 s TYR 189 Cb -0.31 -0.76 -0.02 0.00 -0.11 0.00 0.00 41.96 40.76 1t60 s TYR 189 CO 0.36 0.01 -0.17 -1.54 -1.11 0.00 0.00 175.55 173.10 1t60 s SER 190 N -0.79 3.71 -0.11 2.29 1.04 -1.26 -1.93 113.70 116.65 1t60 s SER 190 Ca 0.03 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.13 1t60 s SER 190 Cb -0.07 -1.08 -0.02 0.00 0.10 0.00 0.00 66.02 64.96 1t60 s SER 190 CO 0.01 0.26 -0.13 -0.36 0.98 0.00 0.00 173.24 173.99 1t60 s PHE 191 N -0.22 2.79 0.13 5.02 0.08 0.30 -4.99 117.98 121.09 1t60 s PHE 191 Ca -0.00 -0.54 0.06 0.00 0.12 0.00 0.00 56.93 56.56 1t60 s PHE 191 Cb -0.13 -1.80 -0.04 0.00 -0.57 0.00 0.00 43.02 40.48 1t60 s PHE 191 CO 0.03 -0.13 -0.14 -1.58 -0.10 0.00 0.00 175.22 173.31 1t60 s TRP 192 N 0.12 1.42 0.30 0.36 0.52 -1.26 -0.98 118.94 119.42 1t60 s TRP 192 Ca -0.06 -0.58 -0.29 0.00 0.02 0.00 0.00 56.10 55.18 1t60 s TRP 192 Cb -0.15 -0.73 -0.10 0.00 -1.15 0.00 0.00 33.47 31.34 1t60 s TRP 192 CO 0.05 0.16 1.26 -0.51 0.02 0.00 0.00 176.95 177.93 1t60 s LEU 193 N -2.64 4.45 0.44 2.99 1.43 -0.69 -4.87 118.68 119.80 1t60 s LEU 193 Ca 0.11 2.56 -0.02 0.00 -1.03 0.00 0.00 54.13 55.75 1t60 s LEU 193 Cb -0.03 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 1t60 s LEU 193 CO 0.03 -0.45 0.69 0.00 0.23 0.00 0.00 176.35 176.85 1t60 s ALA 194 N -0.94 3.60 0.25 4.21 0.00 -1.26 -0.94 121.76 126.68 1t60 s ALA 194 Ca 0.49 -0.84 -0.24 0.00 0.00 0.00 0.00 51.96 51.37 1t60 s ALA 194 Cb -0.38 -2.29 -0.09 0.00 0.00 0.00 0.00 23.12 20.37 1t60 s ALA 194 CO 0.48 -0.31 0.84 0.95 0.00 0.00 0.00 175.76 177.72 1t60 s THR 195 N -2.58 4.35 -0.00 0.00 -4.23 -0.65 -4.44 115.64 108.09 1t60 s THR 195 Ca 0.46 1.65 0.02 0.00 -1.18 0.00 0.00 61.69 62.64 1t60 s THR 195 Cb -0.10 -4.02 -0.00 0.00 1.34 0.00 0.00 72.50 69.72 1t60 s THR 195 CO 0.40 0.27 -0.05 -0.63 -0.54 0.00 0.00 174.62 174.07 1t60 s ILE 196 N -1.45 0.41 -0.18 2.99 1.01 0.74 -4.94 121.20 119.77 1t60 s ILE 196 Ca 0.44 -0.24 -0.19 0.00 0.00 0.00 0.00 60.65 60.66 1t60 s ILE 196 Cb -0.20 -0.35 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 1t60 s ILE 196 CO 0.24 0.10 0.52 -1.61 0.00 0.00 0.00 174.94 174.19 1t60 s GLU 197 N -0.16 4.23 0.36 2.79 0.41 -1.26 -4.76 118.70 120.31 1t60 s GLU 197 Ca 0.02 0.45 0.17 0.00 -0.41 0.00 0.00 54.97 55.19 1t60 s GLU 197 Cb -0.02 -3.53 1.15 0.00 -1.78 0.00 0.00 34.13 29.95 1t60 s GLU 197 CO -0.00 -0.07 1.66 -0.09 -0.49 0.00 0.00 175.26 176.26 1t60 h ARG 198 N 7.26 0.27 0.00 1.61 9.65 -2.00 0.83 114.38 132.00 1t60 h ARG 198 Ca -0.35 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.51 1t60 h ARG 198 Cb 1.16 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 1t60 h ARG 198 CO 0.75 0.18 0.00 0.66 2.80 0.00 0.00 179.97 184.35 1t60 h SER 199 N 0.28 0.00 -0.32 -3.80 4.64 -2.05 -3.23 113.55 109.07 1t60 h SER 199 Ca 0.74 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.06 1t60 h SER 199 Cb 1.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 1t60 h SER 199 CO -0.57 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 174.77 1t60 n GLU 200 N -2.43 2.96 -0.13 4.77 -0.58 0.29 -4.68 120.64 120.83 1t60 n GLU 200 Ca 0.04 -2.46 -0.05 0.00 -0.42 0.00 0.00 57.16 54.27 1t60 n GLU 200 Cb 0.38 -1.57 0.03 0.00 -0.57 0.00 0.00 31.44 29.71 1t60 n GLU 200 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1t60 h MET 201 N 2.04 0.39 -1.20 3.49 2.86 -1.47 -2.72 114.93 118.32 1t60 h MET 201 Ca 0.00 -0.02 -0.68 0.00 -2.06 0.00 0.00 59.70 56.93 1t60 h MET 201 Cb 1.10 -0.09 -0.30 0.00 0.06 0.00 0.00 31.60 32.37 1t60 h MET 201 CO 0.12 0.26 0.70 1.19 1.06 0.00 0.00 176.91 180.23 1t60 n PHE 202 N -4.94 3.14 -4.32 -0.22 3.01 -1.26 -4.92 117.46 107.95 1t60 n PHE 202 Ca 0.03 -2.81 -0.23 0.00 1.01 0.00 0.00 57.45 55.44 1t60 n PHE 202 Cb 0.12 -1.25 -0.12 0.00 -0.01 0.00 0.00 39.48 38.23 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 -3.85 1.24 0.04 -1.08 1.02 -1.03 -5.09 119.74 111.00 1t60 s LYS 203 Ca 0.60 -1.31 -0.34 0.00 0.02 0.00 0.00 55.97 54.94 1t60 s LYS 203 Cb 0.48 -1.42 -0.13 0.00 -0.52 0.00 0.00 37.83 36.24 1t60 s LYS 203 CO -0.09 0.31 1.69 1.17 -0.92 0.00 0.00 175.35 177.51 1t60 n LYS 204 N 0.64 2.08 -1.74 1.68 4.81 -1.26 -4.88 118.16 119.48 1t60 n LYS 204 Ca -0.16 0.76 -0.40 0.00 -0.87 0.00 0.00 58.31 57.64 1t60 n LYS 204 Cb 0.55 -2.55 0.02 0.00 0.02 0.00 0.00 35.03 33.08 1t60 n LYS 204 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1t60 n PRO 205 N 4.75 2.02 -3.21 1.64 -0.02 -1.26 -4.94 135.00 133.98 1t60 n PRO 205 Ca 0.20 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 61.98 1t60 n PRO 205 Cb 0.28 -2.56 -0.08 0.00 -0.02 0.00 0.00 33.50 31.13 1t60 n PRO 205 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1t60 s THR 206 N -1.22 4.97 0.46 3.45 2.01 -1.26 -5.03 115.64 119.01 1t60 s THR 206 Ca 0.64 0.22 -0.24 0.00 0.31 0.00 0.00 61.69 62.62 1t60 s THR 206 Cb -0.45 -4.04 -0.09 0.00 0.01 0.00 0.00 72.50 67.93 1t60 s THR 206 CO 0.55 -0.34 1.22 -2.65 -0.69 0.00 0.00 174.62 172.71 1t60 n PRO 207 N 5.88 1.72 -3.74 4.92 -0.02 -1.26 -5.01 135.00 137.48 1t60 n PRO 207 Ca -0.04 0.62 -0.13 0.00 -2.02 0.00 0.00 63.50 61.93 1t60 n PRO 207 Cb 0.48 -2.35 -0.10 0.00 -0.02 0.00 0.00 33.50 31.51 1t60 n PRO 207 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1t60 s SER 208 N -0.69 -0.39 -0.22 2.55 0.15 -1.26 -5.13 113.70 108.71 1t60 s SER 208 Ca 0.64 0.74 0.02 0.00 0.70 0.00 0.00 55.95 58.05 1t60 s SER 208 Cb -0.49 0.76 0.05 0.00 -1.71 0.00 0.00 66.02 64.63 1t60 s SER 208 CO 0.55 -0.15 -0.12 -0.89 1.20 0.00 0.00 173.24 173.83 1t60 s THR 209 N 0.11 1.89 -0.15 6.45 2.01 -1.26 -5.12 115.64 119.57 1t60 s THR 209 Ca -0.01 -1.23 -0.06 0.00 0.31 0.00 0.00 61.69 60.70 1t60 s THR 209 Cb -0.03 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1t60 s THR 209 CO 0.01 0.14 0.06 -0.76 -0.69 0.00 0.00 174.62 173.38 1t60 s LEU 210 N 1.28 3.87 0.36 4.42 1.43 -1.26 -5.12 118.68 123.66 1t60 s LEU 210 Ca -0.03 0.17 0.08 0.00 -1.03 0.00 0.00 54.13 53.31 1t60 s LEU 210 Cb -0.17 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 1t60 s LEU 210 CO -0.08 0.27 0.31 -0.54 0.23 0.00 0.00 176.35 176.54 1t60 s LYS 211 N -0.18 2.64 0.05 1.70 1.02 -1.26 -4.75 119.74 118.96 1t60 s LYS 211 Ca 0.07 -1.39 -0.38 0.00 0.02 0.00 0.00 55.97 54.29 1t60 s LYS 211 Cb -0.12 -2.42 -0.19 0.00 -0.52 0.00 0.00 37.83 34.58 1t60 s LYS 211 CO 0.01 0.00 1.14 0.00 -0.92 0.00 0.00 175.35 175.59 1t60 n ALA 212 N -1.42 -2.55 -0.11 5.17 0.00 -1.26 -1.12 120.51 119.22 1t60 n ALA 212 Ca -0.00 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1t60 n ALA 212 Cb 0.60 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 1.89 0.55 0.00 0.00 0.00 -1.26 -4.80 105.19 101.57 1t60 n GLY 213 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1t60 n GLY 213 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t60 n GLU 214 N -2.00 4.02 -0.22 1.61 1.02 -0.27 -4.94 120.64 119.86 1t60 n GLU 214 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1t60 n GLU 214 Cb 0.00 -0.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.87 1t60 n GLU 214 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1t60 h LEU 215 N 0.00 -1.37 0.00 -4.62 3.38 -1.83 -1.11 115.31 109.75 1t60 h LEU 215 Ca 0.00 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1t60 h LEU 215 Cb 0.00 0.59 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1t60 h LEU 215 CO 0.00 -0.19 0.00 0.54 0.09 0.00 0.00 178.44 178.88 1t60 n ARG 216 N -4.48 0.10 0.26 1.13 1.74 -1.26 -3.04 116.66 111.11 1t60 n ARG 216 Ca 0.00 0.23 0.13 0.00 -0.77 0.00 0.00 57.85 57.45 1t60 n ARG 216 Cb 0.19 -1.50 0.66 0.00 -1.02 0.00 0.00 32.46 30.79 1t60 n ARG 216 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1t60 h THR 217 N 0.00 0.43 -0.34 0.55 1.35 -1.57 -2.82 112.91 110.51 1t60 h THR 217 Ca 0.00 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1t60 h THR 217 Cb 0.11 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1t60 h THR 217 CO 0.00 0.13 0.00 1.41 -0.25 0.00 0.00 175.52 176.81 1t60 n HIS 218 N -3.42 0.45 -3.60 4.73 8.25 -1.17 -4.86 115.22 115.60 1t60 n HIS 218 Ca -0.01 -0.45 -0.36 0.00 -0.26 0.00 0.00 57.72 56.64 1t60 n HIS 218 Cb 0.30 -0.02 -0.08 0.00 1.12 0.00 0.00 29.99 31.31 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 -1.00 5.33 0.52 1.59 1.01 -1.07 -1.63 120.40 125.15 1t60 s VAL 219 Ca 0.24 0.37 -0.22 0.00 0.00 0.00 0.00 61.98 62.36 1t60 s VAL 219 Cb 0.13 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.88 1t60 s VAL 219 CO 0.17 0.36 1.32 -0.55 0.00 0.00 0.00 175.10 176.39 1t60 s SER 220 N 0.76 5.51 0.35 3.32 0.15 -0.12 -4.61 113.70 119.07 1t60 s SER 220 Ca 0.12 2.67 0.07 0.00 0.70 0.00 0.00 55.95 59.51 1t60 s SER 220 Cb -0.13 -2.63 -0.01 0.00 -1.71 0.00 0.00 66.02 61.54 1t60 s SER 220 CO 0.03 -1.40 0.46 -0.13 1.20 0.00 0.00 173.24 173.40 1t60 s ARG 221 N -2.83 2.99 0.22 5.44 1.81 -0.89 -1.64 118.95 124.06 1t60 s ARG 221 Ca 0.69 -1.11 -0.12 0.00 -1.72 0.00 0.00 55.73 53.47 1t60 s ARG 221 Cb -0.38 -2.74 -0.00 0.00 -0.45 0.00 0.00 34.95 31.37 1t60 s ARG 221 CO 0.45 0.01 0.43 0.00 -0.68 0.00 0.00 175.30 175.50 1t60 s GLN 223 N -4.00 0.14 -0.22 0.00 0.74 -0.81 -1.37 119.66 114.14 1t60 s GLN 223 Ca 0.21 0.20 -0.09 0.00 0.05 0.00 0.00 55.36 55.73 1t60 s GLN 223 Cb 0.00 0.04 -0.05 0.00 1.10 0.00 0.00 33.01 34.11 1t60 s GLN 223 CO 0.06 -0.04 0.12 0.08 -0.55 0.00 0.00 175.29 174.96 1t60 s VAL 224 N 0.21 5.11 0.15 1.34 1.01 0.93 -1.71 120.40 127.44 1t60 s VAL 224 Ca -0.01 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.13 1t60 s VAL 224 Cb -0.02 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1t60 s VAL 224 CO -0.01 0.40 -0.16 0.00 0.00 0.00 0.00 175.10 175.32 1t60 s MET 226 N -2.77 2.18 -1.19 0.00 1.75 0.59 -1.01 119.30 118.85 1t60 s MET 226 Ca 0.13 -0.91 -0.18 0.00 -1.25 0.00 0.00 55.69 53.48 1t60 s MET 226 Cb -0.05 -2.07 0.10 0.00 2.84 0.00 0.00 34.83 35.65 1t60 s MET 226 CO 0.05 0.54 1.55 0.50 -0.65 0.00 0.00 175.02 177.01 1t60 s ARG 227 N -0.56 3.92 0.00 4.11 3.00 -0.83 0.13 118.95 128.71 1t60 s ARG 227 Ca 0.08 -2.00 0.00 0.00 -1.00 0.00 0.00 55.73 52.82 1t60 s ARG 227 Cb -0.10 -5.32 0.00 0.00 0.00 0.00 0.00 34.95 29.53 1t60 s ARG 227 CO -0.00 -2.06 0.00 -2.13 0.00 0.00 0.00 175.30 171.10