#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t60 n HIS 4 N 0.00 0.00 0.00 -0.67 8.25 -1.26 -4.97 115.22 116.57 1t60 n HIS 4 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1t60 n HIS 4 Cb 0.00 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 30.96 1t60 n HIS 4 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1t60 n GLY 5 N 1.49 0.89 3.88 -1.41 0.00 -1.26 -5.13 105.19 103.65 1t60 n GLY 5 Ca 0.05 0.00 -0.31 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 -1.32 3.45 0.05 1.61 0.40 -1.23 -4.97 117.98 115.96 1t60 s PHE 6 Ca 0.00 0.96 0.05 0.00 -0.60 0.00 0.00 56.93 57.34 1t60 s PHE 6 Cb 0.00 -2.36 -0.02 0.00 0.51 0.00 0.00 43.02 41.15 1t60 s PHE 6 CO 0.00 0.05 -0.13 -0.51 0.70 0.00 0.00 175.22 175.33 1t60 s LEU 7 N -3.46 2.22 -0.03 -0.37 1.43 -1.26 -0.17 118.68 117.04 1t60 s LEU 7 Ca 0.50 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 1t60 s LEU 7 Cb -0.10 -0.51 0.00 0.00 0.03 0.00 0.00 46.19 45.60 1t60 s LEU 7 CO 0.27 -0.04 -0.11 0.54 0.23 0.00 0.00 176.35 177.24 1t60 s VAL 8 N -1.07 0.95 -0.07 -1.59 0.11 0.18 -4.80 120.40 114.11 1t60 s VAL 8 Ca -0.01 -0.46 0.04 0.00 -2.93 0.00 0.00 61.98 58.62 1t60 s VAL 8 Cb -0.09 -0.84 -0.01 0.00 -1.53 0.00 0.00 36.38 33.91 1t60 s VAL 8 CO 0.02 0.29 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.99 1t60 s THR 9 N 0.13 2.51 0.05 5.04 2.01 -1.26 0.00 115.64 124.13 1t60 s THR 9 Ca -0.03 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.13 1t60 s THR 9 Cb -0.09 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 1t60 s THR 9 CO 0.01 0.57 -0.15 -0.60 -0.69 0.00 0.00 174.62 173.75 1t60 s ARG 10 N -0.17 0.99 -0.09 4.92 3.52 -0.45 -4.83 118.95 122.83 1t60 s ARG 10 Ca -0.02 -0.82 0.04 0.00 -0.13 0.00 0.00 55.73 54.80 1t60 s ARG 10 Cb -0.14 -1.03 -0.00 0.00 -1.56 0.00 0.00 34.95 32.22 1t60 s ARG 10 CO 0.04 0.25 -0.23 -1.01 -0.81 0.00 0.00 175.30 173.54 1t60 s HIS 11 N -0.90 2.57 0.10 5.12 3.76 -1.26 -1.28 115.29 123.40 1t60 s HIS 11 Ca 0.02 -0.90 0.03 0.00 -0.15 0.00 0.00 55.06 54.06 1t60 s HIS 11 Cb -0.08 -1.70 -0.24 0.00 1.11 0.00 0.00 32.58 31.67 1t60 s HIS 11 CO 0.02 -0.33 1.23 0.66 -0.85 0.00 0.00 174.74 175.46 1t60 h SER 12 N 6.53 0.16 -1.35 1.40 4.64 -1.36 -3.46 113.55 120.10 1t60 h SER 12 Ca -0.23 -0.17 -0.25 0.00 -0.47 0.00 0.00 61.79 60.67 1t60 h SER 12 Cb 1.22 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.22 1t60 h SER 12 CO 0.48 1.13 -0.29 0.00 -0.87 0.00 0.00 176.83 177.28 1t60 n GLN 13 N -3.42 -0.95 -3.98 4.77 6.02 -1.26 -4.97 117.38 113.59 1t60 n GLN 13 Ca -0.03 0.73 -0.15 0.00 -0.01 0.00 0.00 57.00 57.54 1t60 n GLN 13 Cb 0.97 -4.86 -0.03 0.00 1.02 0.00 0.00 30.24 27.34 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 -3.51 0.00 1.70 5.09 -2.24 -1.26 -4.07 114.28 109.98 1t60 n THR 14 Ca -0.14 -1.80 0.15 0.00 -2.27 0.00 0.00 64.05 59.99 1t60 n THR 14 Cb 0.54 1.10 0.75 0.00 -2.10 0.00 0.00 70.33 70.62 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 -3.51 4.28 -2.24 -1.26 -1.94 114.28 109.02 1t60 n THR 15 Ca 0.01 -0.08 -0.34 0.00 -2.27 0.00 0.00 64.05 61.37 1t60 n THR 15 Cb 0.59 -0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.62 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 -2.14 6.68 0.24 3.42 1.01 -1.26 -4.85 116.67 119.77 1t60 s ASP 16 Ca 0.40 0.86 -0.30 0.00 0.71 0.00 0.00 52.55 54.22 1t60 s ASP 16 Cb 0.21 -2.20 -0.09 0.00 1.01 0.00 0.00 42.92 41.85 1t60 s ASP 16 CO 0.39 0.12 1.27 -1.81 0.21 0.00 0.00 175.17 175.35 1t60 s ASP 17 N -1.85 6.93 0.47 0.27 1.01 -1.26 -4.50 116.67 117.74 1t60 s ASP 17 Ca 0.36 2.44 -0.16 0.00 0.71 0.00 0.00 52.55 55.90 1t60 s ASP 17 Cb -0.14 -2.62 -0.08 0.00 1.01 0.00 0.00 42.92 41.09 1t60 s ASP 17 CO 0.19 -0.46 0.93 -2.16 0.21 0.00 0.00 175.17 173.87 1t60 s PRO 18 N -0.70 3.98 0.16 8.23 0.04 -1.26 -5.01 135.00 140.44 1t60 s PRO 18 Ca 0.53 0.89 -0.21 0.00 0.04 0.00 0.00 61.00 62.25 1t60 s PRO 18 Cb -0.36 -2.21 -0.08 0.00 0.04 0.00 0.00 34.50 31.89 1t60 s PRO 18 CO 0.42 -0.15 0.68 -0.65 0.04 0.00 0.00 177.00 177.34 1t60 s GLN 19 N -3.77 4.31 0.34 4.56 -1.52 -1.26 -4.69 119.66 117.63 1t60 s GLN 19 Ca 0.58 0.88 -0.28 0.00 -1.95 0.00 0.00 55.36 54.59 1t60 s GLN 19 Cb -0.10 -3.10 -0.10 0.00 -0.22 0.00 0.00 33.01 29.49 1t60 s GLN 19 CO 0.26 0.52 1.33 0.00 -0.25 0.00 0.00 175.29 177.16 1t60 s PRO 21 N -1.86 0.65 0.42 0.00 0.04 -1.26 -4.89 135.00 128.10 1t60 s PRO 21 Ca 0.50 0.62 -0.24 0.00 0.04 0.00 0.00 61.00 61.91 1t60 s PRO 21 Cb -0.41 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 1t60 s PRO 21 CO 0.54 -2.61 1.06 -2.30 0.04 0.00 0.00 177.00 173.74 1t60 n PRO 22 N -4.10 1.45 -0.45 0.56 -0.02 -1.26 -2.32 135.00 128.86 1t60 n PRO 22 Ca 0.06 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1t60 n PRO 22 Cb 0.57 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 1.11 1.54 3.38 -1.23 0.00 -1.26 -5.03 105.19 103.70 1t60 n GLY 23 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.24 2.06 -0.00 2.61 -4.23 -0.98 -4.32 115.64 107.53 1t60 s THR 24 Ca 0.00 -2.03 0.08 0.00 -1.18 0.00 0.00 61.69 58.56 1t60 s THR 24 Cb 0.00 -1.99 -0.02 0.00 1.34 0.00 0.00 72.50 71.82 1t60 s THR 24 CO 0.00 -0.28 -0.25 -1.59 -0.54 0.00 0.00 174.62 171.96 1t60 s LYS 25 N -2.88 2.06 0.35 3.99 -2.85 -0.68 -4.76 119.74 114.97 1t60 s LYS 25 Ca 0.19 -0.96 -0.28 0.00 -1.00 0.00 0.00 55.97 53.92 1t60 s LYS 25 Cb -0.06 -2.05 -0.11 0.00 -2.06 0.00 0.00 37.83 33.54 1t60 s LYS 25 CO 0.09 0.55 1.47 1.51 0.10 0.00 0.00 175.35 179.07 1t60 n ILE 26 N 2.23 1.81 -0.06 3.79 0.13 -1.26 -0.32 119.36 125.67 1t60 n ILE 26 Ca -0.16 -0.45 -0.13 0.00 -1.10 0.00 0.00 62.75 60.91 1t60 n ILE 26 Cb 0.51 -1.89 -0.04 0.00 -0.84 0.00 0.00 39.64 37.38 1t60 n ILE 26 CO 0.00 0.00 0.00 -0.11 2.80 0.00 0.00 176.55 179.24 1t60 n LEU 27 N 0.84 0.90 -3.57 9.51 7.94 0.12 -4.79 117.00 127.94 1t60 n LEU 27 Ca 0.03 0.15 -0.07 0.00 -1.11 0.00 0.00 56.01 55.02 1t60 n LEU 27 Cb 0.38 -0.37 -0.03 0.00 0.53 0.00 0.00 43.42 43.93 1t60 n LEU 27 CO 0.64 0.22 0.88 -0.72 -1.11 0.00 0.00 177.39 177.30 1t60 s TYR 28 N -2.23 -0.23 0.29 1.96 -0.85 -1.14 -5.01 117.35 110.14 1t60 s TYR 28 Ca -0.17 0.24 0.08 0.00 -0.52 0.00 0.00 57.07 56.70 1t60 s TYR 28 Cb 0.06 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.87 1t60 s TYR 28 CO 0.22 -0.31 0.14 -1.01 -1.52 0.00 0.00 175.55 173.06 1t60 s HIS 29 N -2.16 2.84 0.00 -3.49 3.76 -1.26 -1.02 115.29 113.95 1t60 s HIS 29 Ca 0.06 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 54.72 1t60 s HIS 29 Cb -0.01 -1.47 0.00 0.00 1.11 0.00 0.00 32.58 32.21 1t60 s HIS 29 CO -0.05 0.45 0.00 0.41 -0.85 0.00 0.00 174.74 174.70 1t60 n GLY 30 N -1.11 1.83 3.63 -2.22 0.00 -0.30 -4.61 105.19 102.40 1t60 n GLY 30 Ca -0.05 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.89 2.95 -0.67 1.61 1.51 1.00 -1.02 117.35 120.83 1t60 s TYR 31 Ca 0.00 -0.01 -0.27 0.00 -1.01 0.00 0.00 57.07 55.78 1t60 s TYR 31 Cb 0.00 -1.62 0.02 0.00 -0.11 0.00 0.00 41.96 40.25 1t60 s TYR 31 CO 0.00 0.41 1.37 -1.12 -1.11 0.00 0.00 175.55 175.10 1t60 s SER 32 N -1.55 6.07 -0.20 2.29 0.01 -0.20 -1.65 113.70 118.48 1t60 s SER 32 Ca 0.18 -0.13 -0.19 0.00 1.31 0.00 0.00 55.95 57.12 1t60 s SER 32 Cb -0.11 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 1t60 s SER 32 CO 0.09 -1.84 0.54 -0.22 0.41 0.00 0.00 173.24 172.22 1t60 s LEU 33 N 6.15 4.14 -0.17 2.44 2.96 -0.02 -1.36 118.68 132.83 1t60 s LEU 33 Ca 0.44 0.70 -0.18 0.00 -0.22 0.00 0.00 54.13 54.87 1t60 s LEU 33 Cb -0.09 -2.74 -0.14 0.00 0.50 0.00 0.00 46.19 43.71 1t60 s LEU 33 CO 0.19 -0.20 0.19 0.25 -1.32 0.00 0.00 176.35 175.46 1t60 h LEU 34 N 8.01 0.00 -7.44 -0.68 5.85 -0.89 -3.41 115.31 116.74 1t60 h LEU 34 Ca -0.33 -0.41 0.24 0.00 0.84 0.00 0.00 57.88 58.21 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 0.75 1.13 0.64 -0.72 -0.34 0.00 0.00 178.44 179.89 1t60 s TYR 35 N -2.23 -0.10 0.36 1.25 1.13 -1.07 -2.79 117.35 113.89 1t60 s TYR 35 Ca -0.21 -0.11 0.06 0.00 -1.41 0.00 0.00 57.07 55.41 1t60 s TYR 35 Cb 0.03 0.59 -0.07 0.00 -1.10 0.00 0.00 41.96 41.41 1t60 s TYR 35 CO 0.46 -0.57 0.00 0.14 -2.51 0.00 0.00 175.55 173.07 1t60 s VAL 36 N -2.90 1.75 -0.18 -3.49 -7.23 -0.19 -0.50 120.40 107.66 1t60 s VAL 36 Ca 0.13 -2.04 -0.05 0.00 -1.81 0.00 0.00 61.98 58.21 1t60 s VAL 36 Cb 0.01 -2.82 0.07 0.00 0.56 0.00 0.00 36.38 34.21 1t60 s VAL 36 CO -0.01 -0.07 0.13 -1.58 -0.31 0.00 0.00 175.10 173.27 1t60 s GLN 37 N -3.75 0.11 -0.12 4.82 0.74 -0.52 -0.92 119.66 120.02 1t60 s GLN 37 Ca 0.34 0.00 0.03 0.00 0.05 0.00 0.00 55.36 55.79 1t60 s GLN 37 Cb 0.08 -1.61 0.01 0.00 1.10 0.00 0.00 33.01 32.58 1t60 s GLN 37 CO 0.16 -0.67 -0.22 0.20 -0.55 0.00 0.00 175.29 174.21 1t60 s GLY 38 N 2.20 1.30 -1.50 2.59 0.00 -0.59 -1.04 107.32 110.28 1t60 s GLY 38 Ca 0.04 -0.98 -0.12 0.00 0.00 0.00 0.00 44.72 43.66 1t60 s GLY 38 CO -0.11 -0.15 0.94 -2.01 0.00 0.00 0.00 173.10 171.77 1t60 n ASN 39 N 3.80 -4.25 -0.12 1.64 5.15 -1.26 -1.49 115.26 118.73 1t60 n ASN 39 Ca -0.20 -0.79 -0.02 0.00 -0.60 0.00 0.00 54.58 52.98 1t60 n ASN 39 Cb 0.52 -3.89 -0.01 0.00 -0.53 0.00 0.00 39.78 35.87 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 -4.63 -0.71 -4.42 1.20 1.02 -1.26 -5.01 120.64 106.83 1t60 n GLU 40 Ca -0.01 0.31 -0.33 0.00 -0.02 0.00 0.00 57.16 57.11 1t60 n GLU 40 Cb 0.55 -3.93 -0.15 0.00 -0.02 0.00 0.00 31.44 27.89 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 -1.14 3.22 0.32 3.49 3.52 -0.55 -5.03 118.95 122.77 1t60 s ARG 41 Ca 0.00 -0.74 -0.25 0.00 -0.13 0.00 0.00 55.73 54.61 1t60 s ARG 41 Cb 0.00 -2.67 -0.10 0.00 -1.56 0.00 0.00 34.95 30.62 1t60 s ARG 41 CO 0.00 -0.03 0.93 0.00 -0.81 0.00 0.00 175.30 175.39 1t60 s ALA 42 N 0.93 3.21 -0.19 6.12 0.00 -1.26 -1.54 121.76 129.02 1t60 s ALA 42 Ca -0.03 0.49 -0.04 0.00 0.00 0.00 0.00 51.96 52.37 1t60 s ALA 42 Cb -0.15 -3.15 0.10 0.00 0.00 0.00 0.00 23.12 19.91 1t60 s ALA 42 CO -0.02 0.18 0.31 -1.58 0.00 0.00 0.00 175.76 174.66 1t60 s HIS 43 N -1.66 -0.57 0.52 0.00 2.46 -0.10 -4.98 115.29 110.97 1t60 s HIS 43 Ca 0.51 0.87 0.09 0.00 0.47 0.00 0.00 55.06 57.00 1t60 s HIS 43 Cb -0.18 -0.03 0.06 0.00 -0.13 0.00 0.00 32.58 32.30 1t60 s HIS 43 CO 0.23 -0.53 0.71 0.20 -2.47 0.00 0.00 174.74 172.87 1t60 s GLY 44 N 2.47 1.81 -0.20 1.59 0.00 -1.26 -1.03 107.32 110.71 1t60 s GLY 44 Ca 0.05 -1.96 -0.00 0.00 0.00 0.00 0.00 44.72 42.81 1t60 s GLY 44 CO -0.12 -1.60 -0.04 1.20 0.00 0.00 0.00 173.10 172.54 1t60 s GLN 45 N -4.56 1.39 0.04 2.90 -1.52 -1.12 -4.97 119.66 111.82 1t60 s GLN 45 Ca 0.59 -0.68 -0.37 0.00 -1.95 0.00 0.00 55.36 52.95 1t60 s GLN 45 Cb -0.07 -2.25 -0.17 0.00 -0.22 0.00 0.00 33.01 30.30 1t60 s GLN 45 CO 0.37 -0.53 1.39 -3.47 -0.25 0.00 0.00 175.29 172.80 1t60 n ASP 46 N 4.82 1.74 0.11 5.90 2.03 -1.26 -4.52 116.55 125.37 1t60 n ASP 46 Ca -0.12 1.11 0.08 0.00 0.52 0.00 0.00 54.79 56.39 1t60 n ASP 46 Cb 0.46 -1.18 0.40 0.00 -0.72 0.00 0.00 41.12 40.08 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 2.90 0.39 -0.54 -2.67 4.77 -1.26 -0.87 117.00 119.72 1t60 n LEU 47 Ca 0.19 0.67 0.13 0.00 -0.03 0.00 0.00 56.01 56.98 1t60 n LEU 47 Cb 0.18 -0.70 0.39 0.00 -2.33 0.00 0.00 43.42 40.96 1t60 n LEU 47 CO 0.65 -0.76 0.76 0.61 -1.33 0.00 0.00 177.39 177.32 1t60 n GLY 48 N -1.18 0.11 3.66 -0.72 0.00 -1.26 -4.42 105.19 101.37 1t60 n GLY 48 Ca -0.00 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.10 3.58 0.05 2.61 -4.23 -0.05 -4.06 115.64 111.43 1t60 s THR 49 Ca 0.33 -1.72 0.30 0.00 -1.18 0.00 0.00 61.69 59.42 1t60 s THR 49 Cb 0.20 -2.87 0.30 0.00 1.34 0.00 0.00 72.50 71.48 1t60 s THR 49 CO 0.37 -0.28 1.91 0.00 -0.54 0.00 0.00 174.62 176.08 1t60 h ALA 50 N 2.16 1.00 0.00 3.99 0.00 -1.91 -1.67 119.26 122.83 1t60 h ALA 50 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1t60 h ALA 50 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1t60 h ALA 50 CO 0.59 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.62 1t60 h GLY 51 N 0.42 0.00 -1.21 0.00 0.00 -1.94 -1.57 103.07 98.78 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 -2.95 1.97 -3.86 0.19 3.41 -0.63 -4.65 113.62 107.11 1t60 n SER 52 Ca -0.00 -1.87 -0.30 0.00 -0.26 0.00 0.00 58.87 56.43 1t60 n SER 52 Cb 0.23 -0.19 -0.15 0.00 -0.26 0.00 0.00 64.21 63.84 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 1.13 4.41 0.43 0.00 1.02 -0.66 -4.83 118.68 120.19 1t60 s LEU 54 Ca 0.11 0.76 0.16 0.00 0.02 0.00 0.00 54.13 55.18 1t60 s LEU 54 Cb -0.19 -2.43 0.98 0.00 0.02 0.00 0.00 46.19 44.57 1t60 s LEU 54 CO -0.15 0.29 1.95 0.03 0.02 0.00 0.00 176.35 178.49 1t60 h ARG 55 N 5.19 0.00 -5.46 1.70 3.08 -1.88 0.28 114.38 117.29 1t60 h ARG 55 Ca -0.50 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.10 1t60 h ARG 55 Cb 1.21 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 31.04 1t60 h ARG 55 CO 0.64 0.24 -0.79 0.15 -1.07 0.00 0.00 179.97 179.13 1t60 s LYS 56 N -4.40 0.90 0.05 0.04 1.02 -1.26 -4.72 119.74 111.38 1t60 s LYS 56 Ca -0.03 -0.93 0.02 0.00 0.02 0.00 0.00 55.97 55.04 1t60 s LYS 56 Cb 0.15 -0.95 -0.04 0.00 -0.52 0.00 0.00 37.83 36.47 1t60 s LYS 56 CO 0.69 0.22 0.11 0.12 -0.92 0.00 0.00 175.35 175.56 1t60 s PHE 57 N -1.13 3.28 -0.20 3.18 5.36 -1.26 -4.87 117.98 122.34 1t60 s PHE 57 Ca 0.00 0.15 -0.28 0.00 -0.96 0.00 0.00 56.93 55.84 1t60 s PHE 57 Cb -0.09 -1.68 0.11 0.00 -0.34 0.00 0.00 43.02 41.02 1t60 s PHE 57 CO 0.02 0.54 0.95 0.45 -1.46 0.00 0.00 175.22 175.73 1t60 s SER 58 N -2.26 -0.46 0.39 6.13 0.15 -1.26 -5.01 113.70 111.39 1t60 s SER 58 Ca 0.29 0.70 0.28 0.00 0.70 0.00 0.00 55.95 57.92 1t60 s SER 58 Cb -0.12 0.64 1.14 0.00 -1.71 0.00 0.00 66.02 65.96 1t60 s SER 58 CO 0.21 -0.29 1.83 0.71 1.20 0.00 0.00 173.24 176.90 1t60 h THR 59 N 3.12 0.00 -2.21 6.45 1.35 -1.94 -3.32 112.91 116.35 1t60 h THR 59 Ca -0.24 -0.38 -0.57 0.00 -0.55 0.00 0.00 66.41 64.67 1t60 h THR 59 Cb 1.16 1.25 -0.37 0.00 -1.73 0.00 0.00 68.15 68.46 1t60 h THR 59 CO 0.22 0.00 -0.99 0.80 -0.25 0.00 0.00 175.52 175.30 1t60 n MET 60 N -2.64 0.32 0.00 4.72 1.56 -1.26 -4.09 117.12 115.73 1t60 n MET 60 Ca 0.02 -3.13 0.00 0.00 -0.27 0.00 0.00 57.70 54.31 1t60 n MET 60 Cb 0.28 -1.56 0.00 0.00 2.15 0.00 0.00 33.22 34.09 1t60 n MET 60 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1t60 n PRO 61 N 2.50 0.89 -3.95 2.12 -0.04 -1.25 -4.84 135.00 130.43 1t60 n PRO 61 Ca 0.27 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.64 1t60 n PRO 61 Cb 0.50 -1.13 -0.06 0.00 -0.04 0.00 0.00 33.50 32.77 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 -1.72 0.33 0.29 0.54 -0.71 -1.26 -5.09 117.98 110.37 1t60 s PHE 62 Ca 0.00 -0.69 0.04 0.00 -1.04 0.00 0.00 56.93 55.24 1t60 s PHE 62 Cb 0.00 0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.87 1t60 s PHE 62 CO 0.00 -0.86 0.20 -0.48 -1.34 0.00 0.00 175.22 172.73 1t60 s LEU 63 N -2.98 1.58 0.07 -1.99 0.05 -1.26 -4.56 118.68 109.59 1t60 s LEU 63 Ca 0.19 -1.60 0.03 0.00 0.05 0.00 0.00 54.13 52.80 1t60 s LEU 63 Cb 0.01 0.37 -0.03 0.00 -2.05 0.00 0.00 46.19 44.49 1t60 s LEU 63 CO 0.04 -0.94 -0.10 0.72 -0.55 0.00 0.00 176.35 175.52 1t60 s PHE 64 N -3.67 0.89 0.06 3.48 -0.12 -1.06 -5.00 117.98 112.57 1t60 s PHE 64 Ca 0.38 -0.57 0.07 0.00 -0.05 0.00 0.00 56.93 56.76 1t60 s PHE 64 Cb 0.04 -0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 41.90 1t60 s PHE 64 CO 0.20 -0.04 -0.18 0.00 -0.05 0.00 0.00 175.22 175.14 1t60 s ASN 66 N -1.42 4.82 0.29 0.00 2.20 -0.07 -4.97 114.94 115.79 1t60 s ASN 66 Ca 0.05 -1.02 0.20 0.00 -0.94 0.00 0.00 52.86 51.14 1t60 s ASN 66 Cb -0.09 0.02 1.06 0.00 -2.00 0.00 0.00 41.25 40.24 1t60 s ASN 66 CO 0.02 -0.95 1.61 2.30 -2.94 0.00 0.00 177.10 177.14 1t60 n ILE 67 N -1.72 1.11 -0.10 0.54 -0.00 -1.26 -1.21 119.36 116.72 1t60 n ILE 67 Ca 0.02 0.68 0.06 0.00 -0.00 0.00 0.00 62.75 63.51 1t60 n ILE 67 Cb 0.63 -1.67 0.27 0.00 -0.00 0.00 0.00 39.64 38.87 1t60 n ILE 67 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1t60 n ASN 68 N -2.19 3.80 -3.24 7.28 3.02 -1.26 -4.90 115.26 117.77 1t60 n ASN 68 Ca -0.01 -2.41 -0.23 0.00 -0.03 0.00 0.00 54.58 51.89 1t60 n ASN 68 Cb 0.05 -0.53 0.05 0.00 -0.61 0.00 0.00 39.78 38.74 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 0.68 -6.14 -4.24 6.41 5.03 -0.35 -4.99 115.26 111.66 1t60 n ASN 69 Ca 0.19 -0.39 -0.32 0.00 0.87 0.00 0.00 54.58 54.94 1t60 n ASN 69 Cb 0.75 -4.92 -0.17 0.00 -1.02 0.00 0.00 39.78 34.42 1t60 n ASN 69 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1t60 s VAL 70 N -3.22 2.08 0.07 2.41 1.01 -1.25 -4.95 120.40 116.55 1t60 s VAL 70 Ca 0.41 -1.03 0.07 0.00 0.00 0.00 0.00 61.98 61.43 1t60 s VAL 70 Cb -0.18 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1t60 s VAL 70 CO 0.51 0.56 -0.15 0.00 0.00 0.00 0.00 175.10 176.02 1t60 s ASN 72 N -1.79 2.56 -0.21 0.00 0.01 0.03 -4.99 114.94 110.54 1t60 s ASN 72 Ca 0.17 -0.45 -0.01 0.00 -0.71 0.00 0.00 52.86 51.85 1t60 s ASN 72 Cb -0.11 -1.17 0.01 0.00 0.41 0.00 0.00 41.25 40.39 1t60 s ASN 72 CO 0.09 0.11 -0.10 0.12 -1.51 0.00 0.00 177.10 175.80 1t60 s PHE 73 N 0.48 2.92 -1.24 2.20 5.36 -1.26 -2.55 117.98 123.89 1t60 s PHE 73 Ca -0.17 -1.36 0.00 0.00 -0.96 0.00 0.00 56.93 54.44 1t60 s PHE 73 Cb -0.17 -2.03 0.00 0.00 -0.34 0.00 0.00 43.02 40.48 1t60 s PHE 73 CO 0.07 -0.69 0.00 0.00 -1.46 0.00 0.00 175.22 173.14 1t60 n ALA 74 N 4.70 -0.65 0.02 11.12 0.00 -1.26 -4.85 120.51 129.58 1t60 n ALA 74 Ca -0.19 0.13 0.05 0.00 0.00 0.00 0.00 53.44 53.43 1t60 n ALA 74 Cb 0.49 -1.60 -0.10 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.62 0.47 0.00 0.00 7.64 -1.26 -4.68 113.62 114.17 1t60 n SER 75 Ca -0.16 0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1t60 n SER 75 Cb 0.60 0.90 0.00 0.00 -1.01 0.00 0.00 64.21 64.70 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 -2.63 2.14 -3.14 1.43 0.63 -1.26 -5.05 116.66 108.77 1t60 n ARG 76 Ca -0.09 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.60 1t60 n ARG 76 Cb 0.74 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.60 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 2.83 -4.94 6.15 3.02 -1.26 -4.83 115.26 116.22 1t60 n ASN 77 Ca 0.00 -3.33 -0.20 0.00 -0.03 0.00 0.00 54.58 51.02 1t60 n ASN 77 Cb 0.00 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 38.54 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 -2.69 5.69 0.24 6.41 -0.00 -1.26 -4.86 116.67 120.19 1t60 s ASP 78 Ca 0.43 -0.32 0.05 0.00 -0.00 0.00 0.00 52.55 52.71 1t60 s ASP 78 Cb 0.26 -1.10 -0.05 0.00 -0.00 0.00 0.00 42.92 42.03 1t60 s ASP 78 CO -0.09 -0.42 -0.04 -0.31 -0.00 0.00 0.00 175.17 174.30 1t60 s TYR 79 N -2.24 1.68 -0.05 4.23 1.51 -0.20 -1.96 117.35 120.32 1t60 s TYR 79 Ca 0.44 -0.81 -0.04 0.00 -1.01 0.00 0.00 57.07 55.65 1t60 s TYR 79 Cb -0.08 -0.95 0.01 0.00 -0.11 0.00 0.00 41.96 40.84 1t60 s TYR 79 CO 0.29 0.11 0.12 -1.54 -1.11 0.00 0.00 175.55 173.43 1t60 s SER 80 N -3.34 -0.13 -0.06 2.29 1.04 -0.87 -1.44 113.70 111.19 1t60 s SER 80 Ca 0.27 0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.99 1t60 s SER 80 Cb 0.04 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.41 1t60 s SER 80 CO 0.09 -0.05 -0.15 -0.31 0.98 0.00 0.00 173.24 173.79 1t60 s TYR 81 N 0.18 1.68 0.06 5.02 2.02 0.35 -1.08 117.35 125.59 1t60 s TYR 81 Ca -0.01 -0.59 0.07 0.00 -0.37 0.00 0.00 57.07 56.17 1t60 s TYR 81 Cb -0.02 -1.18 -0.03 0.00 -0.40 0.00 0.00 41.96 40.33 1t60 s TYR 81 CO -0.00 -0.26 -0.18 -1.58 -1.57 0.00 0.00 175.55 171.96 1t60 s TRP 82 N 0.40 1.54 0.45 2.71 0.52 -1.07 -0.21 118.94 123.29 1t60 s TRP 82 Ca -0.12 -0.40 -0.25 0.00 0.02 0.00 0.00 56.10 55.36 1t60 s TRP 82 Cb -0.15 -0.89 -0.08 0.00 -1.15 0.00 0.00 33.47 31.21 1t60 s TRP 82 CO 0.04 0.10 1.34 -0.51 0.02 0.00 0.00 176.95 177.94 1t60 s LEU 83 N -1.48 4.09 0.49 2.99 1.43 -0.46 -1.16 118.68 124.58 1t60 s LEU 83 Ca 0.04 2.72 0.06 0.00 -1.03 0.00 0.00 54.13 55.91 1t60 s LEU 83 Cb -0.09 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 42.11 1t60 s LEU 83 CO 0.02 -1.10 0.29 -0.94 0.23 0.00 0.00 176.35 174.85 1t60 s SER 84 N -0.78 4.55 0.32 2.29 1.04 -0.02 -1.04 113.70 120.06 1t60 s SER 84 Ca 0.62 -1.21 0.05 0.00 0.48 0.00 0.00 55.95 55.88 1t60 s SER 84 Cb -0.39 0.11 0.05 0.00 0.10 0.00 0.00 66.02 65.89 1t60 s SER 84 CO 0.49 -0.89 0.38 0.35 0.98 0.00 0.00 173.24 174.55 1t60 n THR 85 N -1.55 0.00 1.41 2.02 -2.24 -0.53 -4.51 114.28 108.89 1t60 n THR 85 Ca -0.03 -1.13 0.13 0.00 -2.27 0.00 0.00 64.05 60.75 1t60 n THR 85 Cb 0.64 -0.57 0.72 0.00 -2.10 0.00 0.00 70.33 69.03 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 -1.55 0.54 -1.66 -0.78 -0.02 -1.26 -4.91 135.00 125.37 1t60 n PRO 86 Ca 0.06 0.02 -0.58 0.00 -2.02 0.00 0.00 63.50 60.99 1t60 n PRO 86 Cb 0.34 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.25 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 -1.19 0.86 -1.96 -0.52 4.07 -1.26 -4.87 120.64 115.77 1t60 n GLU 87 Ca 0.15 0.31 -0.42 0.00 -0.06 0.00 0.00 57.16 57.15 1t60 n GLU 87 Cb 0.17 -1.94 -0.02 0.00 -0.06 0.00 0.00 31.44 29.59 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 2.17 4.23 0.16 5.31 0.02 -1.26 -4.96 135.00 140.67 1t60 s PRO 88 Ca 0.94 2.36 -0.31 0.00 0.02 0.00 0.00 61.00 64.02 1t60 s PRO 88 Cb -1.12 -3.10 -0.08 0.00 0.02 0.00 0.00 34.50 30.21 1t60 s PRO 88 CO 0.62 -0.49 1.34 1.41 -0.33 0.00 0.00 177.00 179.54 1t60 s MET 89 N -0.10 4.36 0.33 5.54 1.75 -1.26 -4.93 119.30 124.98 1t60 s MET 89 Ca 0.62 2.06 -0.26 0.00 -1.25 0.00 0.00 55.69 56.86 1t60 s MET 89 Cb -0.43 -3.22 -0.14 0.00 2.84 0.00 0.00 34.83 33.89 1t60 s MET 89 CO 0.42 -0.33 0.83 -2.30 -0.65 0.00 0.00 175.02 172.99 1t60 n PRO 90 N 3.16 0.97 -0.31 4.11 -0.02 -1.26 -4.86 135.00 136.79 1t60 n PRO 90 Ca 0.08 0.34 0.03 0.00 -2.02 0.00 0.00 63.50 61.94 1t60 n PRO 90 Cb 0.43 -1.67 0.18 0.00 -0.02 0.00 0.00 33.50 32.41 1t60 n PRO 90 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1t60 h MET 91 N 1.49 0.86 -0.05 -0.52 2.86 -1.97 0.67 114.93 118.27 1t60 h MET 91 Ca -0.39 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.22 1t60 h MET 91 Cb 1.37 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.83 1t60 h MET 91 CO 0.57 0.57 0.06 0.66 1.06 0.00 0.00 176.91 179.83 1t60 h SER 92 N 0.88 0.00 -0.66 1.22 4.64 -2.03 -3.45 113.55 114.16 1t60 h SER 92 Ca 0.41 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.45 1t60 h SER 92 Cb 0.34 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.32 1t60 h SER 92 CO -0.23 0.00 -0.26 0.23 -0.87 0.00 0.00 176.83 175.70 1t60 n MET 93 N -3.90 -1.16 -3.25 4.77 0.00 0.23 -4.99 117.12 108.82 1t60 n MET 93 Ca -0.02 0.97 -0.31 0.00 0.00 0.00 0.00 57.70 58.34 1t60 n MET 93 Cb 0.15 -5.14 -0.05 0.00 0.00 0.00 0.00 33.22 28.18 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 -2.41 3.49 0.40 3.04 0.00 -1.26 -5.00 121.76 120.02 1t60 s ALA 94 Ca 0.00 -0.25 -0.24 0.00 0.00 0.00 0.00 51.96 51.46 1t60 s ALA 94 Cb 0.00 -2.52 -0.11 0.00 0.00 0.00 0.00 23.12 20.49 1t60 s ALA 94 CO 0.00 0.34 0.91 -2.30 0.00 0.00 0.00 175.76 174.71 1t60 n PRO 95 N -0.53 1.17 -3.30 0.00 -0.02 -1.26 -4.87 135.00 126.19 1t60 n PRO 95 Ca 0.01 0.42 -0.32 0.00 -2.02 0.00 0.00 63.50 61.59 1t60 n PRO 95 Cb 0.53 -1.89 -0.05 0.00 -0.02 0.00 0.00 33.50 32.06 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 -1.28 4.86 0.12 4.25 -1.09 0.11 -4.86 121.20 123.31 1t60 s ILE 96 Ca 0.63 0.59 -0.10 0.00 -2.23 0.00 0.00 60.65 59.54 1t60 s ILE 96 Cb -0.59 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 36.66 1t60 s ILE 96 CO 0.57 -0.15 0.26 0.28 -1.23 0.00 0.00 174.94 174.68 1t60 s THR 97 N -1.91 0.11 0.00 2.92 -1.32 -1.26 -1.48 115.64 112.70 1t60 s THR 97 Ca 0.49 -1.12 0.00 0.00 -1.21 0.00 0.00 61.69 59.86 1t60 s THR 97 Cb -0.11 -1.44 0.00 0.00 -1.51 0.00 0.00 72.50 69.44 1t60 s THR 97 CO 0.21 -0.49 0.00 0.61 -2.21 0.00 0.00 174.62 172.74 1t60 n GLY 98 N -0.14 3.17 0.25 6.08 0.00 -1.26 -1.87 105.19 111.42 1t60 n GLY 98 Ca -0.13 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.81 114.58 115.78 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 0.14 0.00 0.09 -1.16 0.00 0.00 179.01 178.08 1t60 n ASN 100 N -3.43 0.59 0.08 1.42 3.02 -0.78 -1.95 115.26 114.21 1t60 n ASN 100 Ca -0.01 0.73 -0.21 0.00 -0.03 0.00 0.00 54.58 55.07 1t60 n ASN 100 Cb 0.32 -0.83 -0.12 0.00 -0.61 0.00 0.00 39.78 38.55 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 1.30 -0.99 2.41 2.04 -1.59 -3.37 117.51 117.31 1t60 h ILE 101 Ca 0.00 -2.44 0.18 0.00 1.00 0.00 0.00 64.86 63.61 1t60 h ILE 101 Cb 0.11 2.60 -0.18 0.00 -0.74 0.00 0.00 36.82 38.61 1t60 h ILE 101 CO 0.00 0.74 -0.29 -1.14 0.00 0.00 0.00 178.15 177.46 1t60 n ARG 102 N -3.79 -0.14 0.18 2.37 0.63 -0.82 -0.20 116.66 114.89 1t60 n ARG 102 Ca -0.12 1.53 0.12 0.00 -0.92 0.00 0.00 57.85 58.46 1t60 n ARG 102 Cb 0.95 -2.28 0.65 0.00 0.45 0.00 0.00 32.46 32.23 1t60 n ARG 102 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1t60 h PRO 103 N 0.00 0.00 0.00 -0.14 0.11 -1.76 -2.72 132.00 127.49 1t60 h PRO 103 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 1t60 h PRO 103 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1t60 h PRO 103 CO -1.00 0.00 -0.83 1.19 -0.21 0.00 0.00 178.00 177.14 1t60 n PHE 104 N -2.34 0.08 -3.34 0.65 3.01 0.72 -4.55 117.46 111.68 1t60 n PHE 104 Ca -0.02 0.02 -0.38 0.00 1.01 0.00 0.00 57.45 58.09 1t60 n PHE 104 Cb 0.04 -0.23 -0.07 0.00 -0.01 0.00 0.00 39.48 39.22 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 -3.06 5.19 0.50 4.37 -1.09 -1.03 -1.45 121.20 124.62 1t60 s ILE 105 Ca 0.08 0.84 -0.21 0.00 -2.23 0.00 0.00 60.65 59.12 1t60 s ILE 105 Cb 0.16 -3.78 -0.07 0.00 -1.58 0.00 0.00 42.46 37.19 1t60 s ILE 105 CO 0.79 0.28 1.13 -0.55 -1.23 0.00 0.00 174.94 175.36 1t60 s SER 106 N 0.85 6.01 0.27 3.58 0.15 -0.21 -4.46 113.70 119.89 1t60 s SER 106 Ca 0.23 2.21 0.06 0.00 0.70 0.00 0.00 55.95 59.15 1t60 s SER 106 Cb -0.15 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.54 1t60 s SER 106 CO 0.09 -1.02 0.30 -0.13 1.20 0.00 0.00 173.24 173.68 1t60 s ARG 107 N -2.99 3.10 0.17 5.44 1.81 -0.82 -1.03 118.95 124.63 1t60 s ARG 107 Ca 0.68 -0.98 -0.07 0.00 -1.72 0.00 0.00 55.73 53.64 1t60 s ARG 107 Cb -0.25 -2.70 -0.02 0.00 -0.45 0.00 0.00 34.95 31.53 1t60 s ARG 107 CO 0.30 0.32 0.24 0.00 -0.68 0.00 0.00 175.30 175.48 1t60 s ALA 109 N -4.02 0.29 -0.18 0.00 0.00 -0.40 -1.15 121.76 116.30 1t60 s ALA 109 Ca 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 1t60 s ALA 109 Cb 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 1t60 s ALA 109 CO 0.03 0.05 -0.09 0.08 0.00 0.00 0.00 175.76 175.83 1t60 s VAL 110 N -0.23 3.11 0.05 0.00 1.01 -0.19 -1.34 120.40 122.81 1t60 s VAL 110 Ca -0.00 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.45 1t60 s VAL 110 Cb -0.02 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1t60 s VAL 110 CO -0.00 0.48 -0.21 0.00 0.00 0.00 0.00 175.10 175.37 1t60 s GLU 112 N -1.22 4.48 0.19 0.00 2.12 0.56 0.49 118.70 125.32 1t60 s GLU 112 Ca 0.07 1.07 0.08 0.00 0.36 0.00 0.00 54.97 56.55 1t60 s GLU 112 Cb -0.09 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 1t60 s GLU 112 CO 0.02 0.03 -0.05 0.00 -0.54 0.00 0.00 175.26 174.72 1t60 s ALA 113 N 0.85 3.07 -0.88 6.30 0.00 0.76 -1.69 121.76 130.17 1t60 s ALA 113 Ca 0.42 -1.47 0.27 0.00 0.00 0.00 0.00 51.96 51.19 1t60 s ALA 113 Cb -0.19 -0.83 0.83 0.00 0.00 0.00 0.00 23.12 22.93 1t60 s ALA 113 CO 0.22 0.44 1.68 -0.35 0.00 0.00 0.00 175.76 177.74 1t60 n PRO 114 N -0.17 0.11 -3.99 0.00 -0.04 -1.26 -3.54 135.00 126.12 1t60 n PRO 114 Ca -0.10 0.06 -0.12 0.00 -0.04 0.00 0.00 63.50 63.31 1t60 n PRO 114 Cb 0.56 -1.60 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 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 -3.05 0.09 0.67 0.55 0.00 -1.26 -4.46 121.76 114.30 1t60 s ALA 115 Ca 0.11 -1.14 -0.15 0.00 0.00 0.00 0.00 51.96 50.79 1t60 s ALA 115 Cb 0.16 1.00 0.01 0.00 0.00 0.00 0.00 23.12 24.29 1t60 s ALA 115 CO 0.62 -0.86 1.13 -1.64 0.00 0.00 0.00 175.76 175.00 1t60 s MET 116 N -3.12 2.67 0.05 0.00 -1.94 -1.26 -4.79 119.30 110.92 1t60 s MET 116 Ca 0.24 1.46 0.05 0.00 -1.71 0.00 0.00 55.69 55.73 1t60 s MET 116 Cb -0.02 -1.93 -0.02 0.00 2.01 0.00 0.00 34.83 34.87 1t60 s MET 116 CO 0.15 -1.36 -0.14 0.08 -0.01 0.00 0.00 175.02 173.74 1t60 s VAL 117 N -2.28 1.09 0.29 -6.03 1.01 -1.26 -1.66 120.40 111.55 1t60 s VAL 117 Ca 0.68 -1.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1t60 s VAL 117 Cb -0.22 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 1t60 s VAL 117 CO 0.42 -0.10 0.37 0.00 0.00 0.00 0.00 175.10 175.79 1t60 s MET 118 N -1.39 1.65 0.01 2.72 0.23 0.24 -4.83 119.30 117.93 1t60 s MET 118 Ca -0.00 -1.65 0.06 0.00 -1.03 0.00 0.00 55.69 53.07 1t60 s MET 118 Cb -0.09 0.39 -0.02 0.00 -1.53 0.00 0.00 34.83 33.59 1t60 s MET 118 CO 0.02 -0.65 -0.19 0.00 -2.03 0.00 0.00 175.02 172.17 1t60 s ALA 119 N -3.58 1.59 0.06 3.16 0.00 -0.80 -0.28 121.76 121.91 1t60 s ALA 119 Ca 0.32 -0.89 0.09 0.00 0.00 0.00 0.00 51.96 51.48 1t60 s ALA 119 Cb 0.02 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1t60 s ALA 119 CO 0.17 0.38 -0.24 0.14 0.00 0.00 0.00 175.76 176.20 1t60 s VAL 120 N -0.58 1.95 -0.02 0.00 -7.23 -0.45 -4.59 120.40 109.47 1t60 s VAL 120 Ca 0.07 -1.36 0.07 0.00 -1.81 0.00 0.00 61.98 58.95 1t60 s VAL 120 Cb -0.08 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 1t60 s VAL 120 CO 0.00 0.26 -0.23 -1.00 -0.31 0.00 0.00 175.10 173.82 1t60 s HIS 121 N -0.84 2.08 -0.08 2.82 3.76 -1.26 -1.72 115.29 120.05 1t60 s HIS 121 Ca 0.10 -0.41 0.12 0.00 -0.15 0.00 0.00 55.06 54.72 1t60 s HIS 121 Cb -0.10 -1.34 -0.24 0.00 1.11 0.00 0.00 32.58 32.02 1t60 s HIS 121 CO 0.02 -0.05 0.52 -1.13 -0.85 0.00 0.00 174.74 173.26 1t60 n SER 122 N 2.55 0.82 -1.68 1.40 3.41 -0.66 -4.93 113.62 114.53 1t60 n SER 122 Ca -0.16 0.32 -0.15 0.00 -0.26 0.00 0.00 58.87 58.63 1t60 n SER 122 Cb 0.52 0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.52 1t60 n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 n GLN 123 N -3.03 -1.18 -4.05 4.33 6.02 -1.26 -4.93 117.38 113.29 1t60 n GLN 123 Ca -0.21 0.72 -0.14 0.00 -0.01 0.00 0.00 57.00 57.36 1t60 n GLN 123 Cb 1.07 -5.04 -0.03 0.00 1.02 0.00 0.00 30.24 27.26 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 -2.73 0.00 -1.01 5.09 -4.23 -1.26 -0.24 115.64 111.25 1t60 s THR 124 Ca 0.00 -1.51 0.29 0.00 -1.18 0.00 0.00 61.69 59.29 1t60 s THR 124 Cb 0.00 -2.68 0.24 0.00 1.34 0.00 0.00 72.50 71.40 1t60 s THR 124 CO 0.00 0.00 1.92 2.30 -0.54 0.00 0.00 174.62 178.30 1t60 n ILE 125 N -0.56 0.00 -2.51 2.99 -5.35 -1.26 -2.27 119.36 110.39 1t60 n ILE 125 Ca -0.00 -0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.18 1t60 n ILE 125 Cb 0.61 -0.48 -0.01 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 -2.99 3.67 -0.16 6.28 -1.52 -1.26 -4.84 119.66 118.85 1t60 s GLN 126 Ca 0.14 0.49 -0.23 0.00 -1.95 0.00 0.00 55.36 53.82 1t60 s GLN 126 Cb 0.19 -2.29 -0.02 0.00 -0.22 0.00 0.00 33.01 30.67 1t60 s GLN 126 CO 0.53 -0.24 0.71 0.42 -0.25 0.00 0.00 175.29 176.46 1t60 s ILE 127 N -2.71 4.99 0.14 1.08 1.09 -1.26 -4.46 121.20 120.07 1t60 s ILE 127 Ca 0.52 1.38 -0.30 0.00 -1.10 0.00 0.00 60.65 61.14 1t60 s ILE 127 Cb -0.10 -4.02 -0.08 0.00 -1.06 0.00 0.00 42.46 37.19 1t60 s ILE 127 CO 0.41 0.12 1.29 -2.16 -0.10 0.00 0.00 174.94 174.50 1t60 s PRO 128 N 1.72 4.39 0.48 2.79 0.04 -1.26 -4.99 135.00 138.17 1t60 s PRO 128 Ca 0.34 1.98 -0.20 0.00 0.04 0.00 0.00 61.00 63.15 1t60 s PRO 128 Cb -0.16 -3.25 -0.09 0.00 0.04 0.00 0.00 34.50 31.04 1t60 s PRO 128 CO 0.13 -0.28 1.02 -0.65 0.04 0.00 0.00 177.00 177.25 1t60 s GLN 129 N 0.46 3.88 0.63 4.56 -0.21 -1.26 -4.57 119.66 123.15 1t60 s GLN 129 Ca 0.59 1.31 -0.16 0.00 0.02 0.00 0.00 55.36 57.12 1t60 s GLN 129 Cb -0.35 -2.11 -0.01 0.00 1.00 0.00 0.00 33.01 31.54 1t60 s GLN 129 CO 0.34 -0.36 1.13 0.00 -2.12 0.00 0.00 175.29 174.28 1t60 s PRO 131 N -3.84 2.32 0.19 0.00 0.02 -1.26 -4.86 135.00 127.57 1t60 s PRO 131 Ca 0.70 1.51 -0.33 0.00 0.02 0.00 0.00 61.00 62.89 1t60 s PRO 131 Cb -0.23 -1.88 -0.14 0.00 0.02 0.00 0.00 34.50 32.28 1t60 s PRO 131 CO 0.38 -1.64 1.51 2.41 -0.33 0.00 0.00 177.00 179.33 1t60 n THR 132 N -2.85 0.34 -0.10 0.99 -1.04 -1.26 -0.69 114.28 109.68 1t60 n THR 132 Ca 0.11 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1t60 n THR 132 Cb 0.51 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.53 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 2.93 0.96 3.62 3.41 0.00 -1.26 -5.05 105.19 109.80 1t60 n GLY 133 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.46 2.86 0.05 1.61 0.52 0.13 -3.15 118.94 118.51 1t60 s TRP 134 Ca 0.00 -0.08 0.08 0.00 0.02 0.00 0.00 56.10 56.12 1t60 s TRP 134 Cb 0.00 -1.52 -0.03 0.00 -1.15 0.00 0.00 33.47 30.77 1t60 s TRP 134 CO 0.00 0.42 -0.19 -1.12 0.02 0.00 0.00 176.95 176.08 1t60 s SER 135 N -1.98 3.71 0.29 2.95 0.01 0.09 -4.67 113.70 114.11 1t60 s SER 135 Ca 0.21 -0.47 -0.29 0.00 1.31 0.00 0.00 55.95 56.71 1t60 s SER 135 Cb -0.11 -0.55 -0.09 0.00 0.21 0.00 0.00 66.02 65.47 1t60 s SER 135 CO 0.13 0.25 1.10 -0.55 0.41 0.00 0.00 173.24 174.58 1t60 s SER 136 N -1.51 7.19 -0.18 2.44 0.15 -1.26 -0.51 113.70 120.02 1t60 s SER 136 Ca 0.15 2.26 -0.01 0.00 0.70 0.00 0.00 55.95 59.05 1t60 s SER 136 Cb -0.10 -2.62 -0.11 0.00 -1.71 0.00 0.00 66.02 61.48 1t60 s SER 136 CO 0.05 -0.20 -0.17 0.18 1.20 0.00 0.00 173.24 174.30 1t60 n LEU 137 N 1.04 2.63 -3.66 3.45 4.77 0.14 -4.89 117.00 120.47 1t60 n LEU 137 Ca -0.00 -0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.90 1t60 n LEU 137 Cb 0.45 -0.60 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1t60 n LEU 137 CO 0.53 0.71 0.68 -1.66 -1.33 0.00 0.00 177.39 176.32 1t60 s TRP 138 N -2.35 -0.22 0.17 -1.77 -2.14 -1.18 -4.96 118.94 106.49 1t60 s TRP 138 Ca -0.24 -0.03 0.08 0.00 2.66 0.00 0.00 56.10 58.57 1t60 s TRP 138 Cb 0.07 0.61 -0.04 0.00 -3.10 0.00 0.00 33.47 31.01 1t60 s TRP 138 CO 0.39 -0.76 -0.08 0.42 -2.66 0.00 0.00 176.95 174.25 1t60 s ILE 139 N -3.29 3.30 0.00 0.66 1.01 -1.26 -0.55 121.20 121.06 1t60 s ILE 139 Ca 0.09 -1.56 0.00 0.00 0.00 0.00 0.00 60.65 59.19 1t60 s ILE 139 Cb -0.01 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.83 1t60 s ILE 139 CO -0.02 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.46 1t60 n GLY 140 N 0.13 2.07 3.37 6.18 0.00 -0.18 -4.31 105.19 112.45 1t60 n GLY 140 Ca -0.11 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.61 2.45 -0.61 1.61 1.51 0.10 -1.45 117.35 118.35 1t60 s TYR 141 Ca 0.00 -0.35 -0.26 0.00 -1.01 0.00 0.00 57.07 55.45 1t60 s TYR 141 Cb 0.00 -1.52 -0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1t60 s TYR 141 CO 0.00 0.06 1.96 -1.12 -1.11 0.00 0.00 175.55 175.34 1t60 s SER 142 N -0.77 5.11 -0.34 2.29 0.01 -0.69 -2.02 113.70 117.29 1t60 s SER 142 Ca 0.11 0.41 -0.14 0.00 1.31 0.00 0.00 55.95 57.64 1t60 s SER 142 Cb -0.10 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 1t60 s SER 142 CO 0.00 -2.50 0.28 0.12 0.41 0.00 0.00 173.24 171.55 1t60 s PHE 143 N 9.70 3.22 -0.24 2.43 5.36 0.48 -1.41 117.98 137.52 1t60 s PHE 143 Ca 0.72 -0.16 -0.16 0.00 -0.96 0.00 0.00 56.93 56.38 1t60 s PHE 143 Cb -0.13 -2.54 -0.11 0.00 -0.34 0.00 0.00 43.02 39.90 1t60 s PHE 143 CO 0.20 -0.38 -0.24 0.28 -1.46 0.00 0.00 175.22 173.62 1t60 n VAL 144 N 5.15 1.52 -3.56 3.12 0.31 -0.31 -4.41 118.33 120.15 1t60 n VAL 144 Ca -0.12 -0.17 -0.06 0.00 -0.01 0.00 0.00 64.34 63.98 1t60 n VAL 144 Cb 0.50 -2.04 0.02 0.00 -0.91 0.00 0.00 33.84 31.40 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 -4.35 0.79 -3.48 5.55 0.00 -1.15 -0.77 117.12 113.72 1t60 n MET 145 Ca -0.39 -1.55 -0.10 0.00 0.00 0.00 0.00 57.70 55.66 1t60 n MET 145 Cb 0.73 1.94 -0.02 0.00 0.00 0.00 0.00 33.22 35.87 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 -4.20 -0.43 0.02 3.17 -3.43 -0.70 -0.56 115.29 109.16 1t60 s HIS 146 Ca 0.11 0.25 -0.04 0.00 -0.80 0.00 0.00 55.06 54.58 1t60 s HIS 146 Cb -0.03 0.55 -0.01 0.00 -1.43 0.00 0.00 32.58 31.66 1t60 s HIS 146 CO 0.08 -0.70 0.06 0.95 -2.00 0.00 0.00 174.74 173.14 1t60 s THR 147 N -3.42 0.11 0.00 -5.38 -4.23 -0.81 -2.67 115.64 99.25 1t60 s THR 147 Ca 0.03 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1t60 s THR 147 Cb -0.01 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.33 1t60 s THR 147 CO -0.10 -0.49 0.00 -0.24 -0.54 0.00 0.00 174.62 173.25 1t60 n SER 148 N 1.32 0.00 -4.71 3.99 2.88 0.27 -1.12 113.62 116.26 1t60 n SER 148 Ca -0.22 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 56.89 1t60 n SER 148 Cb 0.56 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.00 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 1.70 -1.21 -1.46 0.00 -1.26 -1.17 120.51 114.11 1t60 n ALA 149 Ca 0.00 0.39 -0.07 0.00 0.00 0.00 0.00 53.44 53.75 1t60 n ALA 149 Cb 0.00 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.08 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 1.82 0.77 2.60 0.00 0.00 -1.26 -1.60 105.19 107.53 1t60 n GLY 150 Ca 0.09 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 1.13 -0.24 -2.06 4.61 0.00 -0.31 -4.97 120.51 118.66 1t60 n ALA 151 Ca -0.07 0.26 -0.29 0.00 0.00 0.00 0.00 53.44 53.34 1t60 n ALA 151 Cb 0.47 -1.83 0.01 0.00 0.00 0.00 0.00 19.45 18.11 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 -3.33 3.35 0.00 0.00 0.41 -0.62 -4.68 118.70 113.83 1t60 s GLU 152 Ca 0.00 0.36 0.00 0.00 -0.41 0.00 0.00 54.97 54.92 1t60 s GLU 152 Cb 0.00 -2.22 0.00 0.00 -1.78 0.00 0.00 34.13 30.13 1t60 s GLU 152 CO 0.00 -0.52 0.00 0.41 -0.49 0.00 0.00 175.26 174.66 1t60 n GLY 153 N -2.57 -0.88 2.46 -1.39 0.00 -1.26 -0.57 105.19 100.98 1t60 n GLY 153 Ca 0.04 -0.73 -0.07 0.00 0.00 0.00 0.00 46.02 45.26 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 0.11 -1.34 -2.09 1.61 3.41 -1.09 -4.73 113.62 109.51 1t60 n SER 154 Ca 0.00 -2.15 -0.08 0.00 -0.26 0.00 0.00 58.87 56.38 1t60 n SER 154 Cb 0.00 2.30 -0.01 0.00 -0.26 0.00 0.00 64.21 66.23 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 -0.37 2.44 3.56 5.00 0.00 -1.26 -1.72 105.19 112.84 1t60 n GLY 155 Ca -0.04 -1.47 -0.28 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.40 2.05 -0.09 1.61 -1.52 0.05 -4.80 119.66 114.57 1t60 s GLN 156 Ca 0.15 -1.16 -0.30 0.00 -1.95 0.00 0.00 55.36 52.11 1t60 s GLN 156 Cb -0.01 -2.21 -0.02 0.00 -0.22 0.00 0.00 33.01 30.55 1t60 s GLN 156 CO 0.11 0.47 1.08 0.00 -0.25 0.00 0.00 175.29 176.70 1t60 s ALA 157 N -1.43 3.44 -0.48 6.09 0.00 -1.26 -4.90 121.76 123.22 1t60 s ALA 157 Ca 0.22 0.47 0.20 0.00 0.00 0.00 0.00 51.96 52.85 1t60 s ALA 157 Cb -0.10 -3.47 0.92 0.00 0.00 0.00 0.00 23.12 20.48 1t60 s ALA 157 CO 0.14 -0.66 1.60 1.28 0.00 0.00 0.00 175.76 178.11 1t60 n LEU 158 N 5.07 0.50 -0.04 0.00 4.77 -1.26 -1.12 117.00 124.92 1t60 n LEU 158 Ca 0.10 0.67 0.12 0.00 -0.03 0.00 0.00 56.01 56.86 1t60 n LEU 158 Cb 0.48 -0.66 0.21 0.00 -2.33 0.00 0.00 43.42 41.12 1t60 n LEU 158 CO 0.53 -0.67 0.41 0.00 -1.33 0.00 0.00 177.39 176.33 1t60 n ALA 159 N -1.72 3.66 -2.63 -1.18 0.00 -1.26 -4.61 120.51 112.76 1t60 n ALA 159 Ca 0.01 -0.40 -0.31 0.00 0.00 0.00 0.00 53.44 52.74 1t60 n ALA 159 Cb 0.13 -1.07 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.92 6.50 0.64 0.00 0.15 -0.28 -1.91 113.70 115.87 1t60 s SER 160 Ca 0.12 0.64 0.40 0.00 0.70 0.00 0.00 55.95 57.81 1t60 s SER 160 Cb 0.18 -2.11 2.21 0.00 -1.71 0.00 0.00 66.02 64.59 1t60 s SER 160 CO 0.70 0.00 2.32 -0.65 1.20 0.00 0.00 173.24 176.81 1t60 h PRO 161 N 2.61 0.00 0.00 5.44 0.11 -1.84 -1.81 132.00 136.51 1t60 h PRO 161 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1t60 h PRO 161 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1t60 h PRO 161 CO 0.71 0.01 -0.01 0.78 -0.21 0.00 0.00 178.00 179.28 1t60 h GLY 162 N 0.15 0.00 -0.59 -0.55 0.00 -1.85 -0.57 103.07 99.66 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 -3.12 1.44 -3.84 0.19 3.41 -0.68 -4.54 113.62 106.48 1t60 n SER 163 Ca -0.01 -1.64 -0.29 0.00 -0.26 0.00 0.00 58.87 56.66 1t60 n SER 163 Cb 0.17 -0.08 -0.13 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.21 4.40 0.37 0.00 1.43 -0.86 -4.72 118.68 119.09 1t60 s LEU 165 Ca 0.19 1.51 0.08 0.00 -1.03 0.00 0.00 54.13 54.88 1t60 s LEU 165 Cb -0.21 -3.37 0.72 0.00 0.03 0.00 0.00 46.19 43.36 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 6.26 0.31 -5.00 1.70 5.08 -1.89 0.30 114.58 121.34 1t60 h GLU 166 Ca -0.42 -0.07 -0.63 0.00 -1.00 0.00 0.00 59.36 57.24 1t60 h GLU 166 Cb 1.21 -0.04 -0.34 0.00 0.50 0.00 0.00 28.75 30.08 1t60 h GLU 166 CO 0.73 0.44 -0.85 -1.21 -1.00 0.00 0.00 179.01 177.12 1t60 s GLU 167 N -4.74 2.60 0.18 2.33 2.02 -1.26 -4.70 118.70 115.12 1t60 s GLU 167 Ca -0.06 -0.71 -0.30 0.00 0.02 0.00 0.00 54.97 53.93 1t60 s GLU 167 Cb 0.15 -2.09 -0.08 0.00 0.10 0.00 0.00 34.13 32.21 1t60 s GLU 167 CO 0.74 0.02 1.06 0.12 0.02 0.00 0.00 175.26 177.23 1t60 s PHE 168 N 0.75 3.66 -0.07 1.61 2.19 -1.26 -4.96 117.98 119.90 1t60 s PHE 168 Ca -0.11 1.67 -0.03 0.00 0.33 0.00 0.00 56.93 58.80 1t60 s PHE 168 Cb -0.16 -3.21 0.04 0.00 -1.31 0.00 0.00 43.02 38.38 1t60 s PHE 168 CO 0.01 -0.37 0.15 1.03 1.83 0.00 0.00 175.22 177.87 1t60 s ARG 169 N -0.50 0.09 0.46 10.12 1.81 -1.26 -5.02 118.95 124.64 1t60 s ARG 169 Ca 0.48 0.38 0.19 0.00 -1.72 0.00 0.00 55.73 55.05 1t60 s ARG 169 Cb -0.28 -0.18 1.09 0.00 -0.45 0.00 0.00 34.95 35.12 1t60 s ARG 169 CO 0.34 -0.17 1.98 0.77 -0.68 0.00 0.00 175.30 177.54 1t60 h SER 170 N 7.27 0.00 -3.05 0.23 0.02 -2.00 -3.25 113.55 112.78 1t60 h SER 170 Ca -0.43 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 59.92 1t60 h SER 170 Cb 1.14 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.28 1t60 h SER 170 CO 0.42 0.21 -0.74 0.00 -1.14 0.00 0.00 176.83 175.57 1t60 s ALA 171 N -4.35 2.56 -1.04 3.77 0.00 -1.26 -4.35 121.76 117.09 1t60 s ALA 171 Ca -0.03 -3.02 0.24 0.00 0.00 0.00 0.00 51.96 49.15 1t60 s ALA 171 Cb 0.14 -1.91 1.07 0.00 0.00 0.00 0.00 23.12 22.42 1t60 s ALA 171 CO 0.66 -2.05 1.79 -0.35 0.00 0.00 0.00 175.76 175.81 1t60 n PRO 172 N 2.76 0.04 -4.25 0.00 -0.04 -1.23 -4.88 135.00 127.40 1t60 n PRO 172 Ca 0.19 0.08 -0.14 0.00 -0.04 0.00 0.00 63.50 63.59 1t60 n PRO 172 Cb 0.38 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.24 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 -2.96 1.26 0.05 0.54 -0.71 -1.26 -0.84 117.98 114.07 1t60 s PHE 173 Ca 0.13 -1.17 0.07 0.00 -1.04 0.00 0.00 56.93 54.92 1t60 s PHE 173 Cb 0.16 -0.71 -0.03 0.00 -1.21 0.00 0.00 43.02 41.24 1t60 s PHE 173 CO 0.44 -0.37 -0.19 -1.50 -1.34 0.00 0.00 175.22 172.26 1t60 s ILE 174 N -3.84 1.49 -0.15 -4.49 2.07 -0.31 -4.78 121.20 111.20 1t60 s ILE 174 Ca 0.31 -1.20 -0.12 0.00 -1.41 0.00 0.00 60.65 58.23 1t60 s ILE 174 Cb 0.07 -1.32 -0.05 0.00 0.13 0.00 0.00 42.46 41.29 1t60 s ILE 174 CO 0.08 0.08 0.24 -0.70 -1.91 0.00 0.00 174.94 172.74 1t60 s GLU 175 N -1.31 4.11 0.16 3.50 2.12 -0.75 -2.58 118.70 123.93 1t60 s GLU 175 Ca 0.05 0.02 0.09 0.00 0.36 0.00 0.00 54.97 55.49 1t60 s GLU 175 Cb -0.09 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 1t60 s GLU 175 CO 0.02 0.36 -0.19 0.00 -0.54 0.00 0.00 175.26 174.91 1t60 s HIS 177 N -1.86 2.16 0.60 0.00 0.09 0.19 -2.04 115.29 114.43 1t60 s HIS 177 Ca 0.15 -0.39 0.30 0.00 -0.00 0.00 0.00 55.06 55.12 1t60 s HIS 177 Cb -0.07 -1.02 1.72 0.00 -0.00 0.00 0.00 32.58 33.21 1t60 s HIS 177 CO 0.07 0.53 2.12 0.78 -0.00 0.00 0.00 174.74 178.24 1t60 h GLY 178 N 2.87 0.00 2.00 -2.22 0.00 -1.57 0.04 103.07 104.20 1t60 h GLY 178 Ca -0.43 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1t60 h GLY 178 CO 0.53 0.00 -0.15 -0.09 0.00 0.00 0.00 176.54 176.83 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 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1t60 h ARG 179 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1t60 h ARG 179 CO -0.00 0.15 0.00 0.41 -1.51 0.00 0.00 179.97 179.02 1t60 n GLY 180 N -0.88 1.11 3.90 2.80 0.00 0.00 -5.10 105.19 107.02 1t60 n GLY 180 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 5.34 0.07 2.61 -4.23 -1.24 -4.13 115.64 112.05 1t60 s THR 181 Ca 0.00 -0.01 0.01 0.00 -1.18 0.00 0.00 61.69 60.50 1t60 s THR 181 Cb 0.00 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.23 1t60 s THR 181 CO 0.00 0.29 -0.05 0.00 -0.54 0.00 0.00 174.62 174.31 1t60 s ASN 183 N -2.73 -0.01 -0.24 0.00 2.47 0.37 0.08 114.94 114.88 1t60 s ASN 183 Ca 0.06 -0.02 -0.08 0.00 0.42 0.00 0.00 52.86 53.24 1t60 s ASN 183 Cb 0.04 0.02 -0.04 0.00 -1.45 0.00 0.00 41.25 39.82 1t60 s ASN 183 CO -0.06 -0.04 0.09 -0.31 -3.72 0.00 0.00 177.10 173.07 1t60 s TYR 184 N -2.05 3.14 0.09 0.43 1.51 -1.26 -1.82 117.35 117.39 1t60 s TYR 184 Ca 0.16 -0.23 0.03 0.00 -1.01 0.00 0.00 57.07 56.02 1t60 s TYR 184 Cb 0.07 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 1t60 s TYR 184 CO -0.06 -0.24 0.10 0.71 -1.11 0.00 0.00 175.55 174.95 1t60 s TYR 185 N 1.45 3.20 0.54 2.71 1.51 -1.26 -5.01 117.35 120.48 1t60 s TYR 185 Ca 0.06 0.07 0.20 0.00 -1.01 0.00 0.00 57.07 56.38 1t60 s TYR 185 Cb -0.15 -1.61 1.39 0.00 -0.11 0.00 0.00 41.96 41.48 1t60 s TYR 185 CO 0.05 0.52 2.16 0.00 -1.11 0.00 0.00 175.55 177.17 1t60 h ALA 186 N 3.13 1.94 -0.00 3.71 0.00 -2.03 -2.42 119.26 123.59 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 18.96 1t60 h ALA 186 CO 0.66 -0.05 -0.06 0.27 0.00 0.00 0.00 179.25 180.07 1t60 n ASN 187 N -4.38 0.29 -4.76 0.00 6.94 -1.26 -4.87 115.26 107.23 1t60 n ASN 187 Ca -0.02 -0.51 -0.41 0.00 -0.02 0.00 0.00 54.58 53.62 1t60 n ASN 187 Cb 0.13 -0.13 -0.03 0.00 -2.36 0.00 0.00 39.78 37.40 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 -2.44 3.51 -0.00 -2.53 0.00 -0.91 -4.66 121.76 114.72 1t60 s ALA 188 Ca 0.31 1.20 0.02 0.00 0.00 0.00 0.00 51.96 53.50 1t60 s ALA 188 Cb 0.20 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 1t60 s ALA 188 CO 0.45 -0.58 -0.07 0.71 0.00 0.00 0.00 175.76 176.27 1t60 s TYR 189 N -0.75 0.66 -0.10 0.00 1.51 -0.27 -5.00 117.35 113.40 1t60 s TYR 189 Ca 0.51 -0.15 0.02 0.00 -1.01 0.00 0.00 57.07 56.45 1t60 s TYR 189 Cb -0.39 -0.42 -0.01 0.00 -0.11 0.00 0.00 41.96 41.03 1t60 s TYR 189 CO 0.48 -0.01 -0.16 -1.54 -1.11 0.00 0.00 175.55 173.20 1t60 s SER 190 N -0.27 3.76 -0.11 2.29 1.04 -1.26 -1.92 113.70 117.23 1t60 s SER 190 Ca 0.02 -0.35 -0.01 0.00 0.48 0.00 0.00 55.95 56.09 1t60 s SER 190 Cb -0.03 -1.31 -0.02 0.00 0.10 0.00 0.00 66.02 64.76 1t60 s SER 190 CO -0.00 0.22 -0.09 -0.36 0.98 0.00 0.00 173.24 173.99 1t60 s PHE 191 N 0.03 2.90 0.09 5.02 0.08 0.27 -4.99 117.98 121.39 1t60 s PHE 191 Ca -0.06 -0.31 0.05 0.00 0.12 0.00 0.00 56.93 56.73 1t60 s PHE 191 Cb -0.15 -1.82 -0.03 0.00 -0.57 0.00 0.00 43.02 40.45 1t60 s PHE 191 CO 0.05 0.03 -0.12 -1.58 -0.10 0.00 0.00 175.22 173.49 1t60 s TRP 192 N -0.06 1.18 0.30 0.36 0.52 -1.26 -1.16 118.94 118.82 1t60 s TRP 192 Ca -0.00 -0.55 -0.29 0.00 0.02 0.00 0.00 56.10 55.28 1t60 s TRP 192 Cb -0.14 -0.64 -0.10 0.00 -1.15 0.00 0.00 33.47 31.44 1t60 s TRP 192 CO 0.03 0.05 1.30 -0.51 0.02 0.00 0.00 176.95 177.84 1t60 s LEU 193 N -2.14 4.44 0.46 2.99 1.43 -0.50 -4.87 118.68 120.49 1t60 s LEU 193 Ca 0.03 2.60 0.01 0.00 -1.03 0.00 0.00 54.13 55.74 1t60 s LEU 193 Cb -0.06 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1t60 s LEU 193 CO 0.02 -0.51 0.68 0.00 0.23 0.00 0.00 176.35 176.77 1t60 s ALA 194 N -0.86 3.84 0.11 4.21 0.00 -1.26 -0.89 121.76 126.92 1t60 s ALA 194 Ca 0.50 -1.16 -0.25 0.00 0.00 0.00 0.00 51.96 51.05 1t60 s ALA 194 Cb -0.39 -2.08 -0.07 0.00 0.00 0.00 0.00 23.12 20.58 1t60 s ALA 194 CO 0.49 -0.43 0.78 0.95 0.00 0.00 0.00 175.76 177.54 1t60 s THR 195 N -2.57 4.52 -0.02 0.00 -4.23 -0.52 -4.42 115.64 108.39 1t60 s THR 195 Ca 0.50 1.69 0.04 0.00 -1.18 0.00 0.00 61.69 62.74 1t60 s THR 195 Cb -0.10 -4.14 -0.00 0.00 1.34 0.00 0.00 72.50 69.60 1t60 s THR 195 CO 0.37 0.45 -0.12 -0.63 -0.54 0.00 0.00 174.62 174.15 1t60 s ILE 196 N -0.66 1.01 -0.22 2.99 1.01 0.66 -4.96 121.20 121.04 1t60 s ILE 196 Ca 0.37 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 60.34 1t60 s ILE 196 Cb -0.22 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 1t60 s ILE 196 CO 0.25 0.29 0.43 -0.70 0.00 0.00 0.00 174.94 175.21 1t60 s GLU 197 N -0.09 4.14 0.38 2.79 2.12 -1.26 -4.74 118.70 122.03 1t60 s GLU 197 Ca 0.01 0.22 0.24 0.00 0.36 0.00 0.00 54.97 55.80 1t60 s GLU 197 Cb -0.07 -3.57 1.37 0.00 0.26 0.00 0.00 34.13 32.11 1t60 s GLU 197 CO 0.00 -0.13 1.55 -2.13 -0.54 0.00 0.00 175.26 174.01 1t60 n ARG 198 N 4.79 -0.05 0.15 4.30 3.00 -1.26 0.90 116.66 128.49 1t60 n ARG 198 Ca -0.07 1.33 -0.00 0.00 -0.00 0.00 0.00 57.85 59.10 1t60 n ARG 198 Cb 0.51 -2.44 0.24 0.00 0.00 0.00 0.00 32.46 30.77 1t60 n ARG 198 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1t60 h SER 199 N 0.00 0.03 -0.52 6.15 0.02 -2.06 -3.20 113.55 113.98 1t60 h SER 199 Ca 0.85 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.75 1t60 h SER 199 Cb 2.37 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 64.88 1t60 h SER 199 CO -0.68 0.54 0.03 -0.62 -1.14 0.00 0.00 176.83 174.96 1t60 n GLU 200 N -3.93 4.25 0.05 3.45 -0.58 0.26 -4.65 120.64 119.48 1t60 n GLU 200 Ca -0.02 -3.09 -0.11 0.00 -0.42 0.00 0.00 57.16 53.53 1t60 n GLU 200 Cb 0.53 -2.16 -0.05 0.00 -0.57 0.00 0.00 31.44 29.19 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 3.27 -0.14 -1.03 3.49 2.86 -1.49 -2.96 114.93 118.92 1t60 h MET 201 Ca 0.04 0.01 -0.63 0.00 -2.06 0.00 0.00 59.70 57.05 1t60 h MET 201 Cb 1.90 0.03 -0.28 0.00 0.06 0.00 0.00 31.60 33.31 1t60 h MET 201 CO 0.46 -0.10 0.82 1.19 1.06 0.00 0.00 176.91 180.34 1t60 n PHE 202 N -5.21 3.11 -4.50 -0.22 3.01 -1.26 -4.92 117.46 107.47 1t60 n PHE 202 Ca -0.06 -2.78 -0.27 0.00 1.01 0.00 0.00 57.45 55.35 1t60 n PHE 202 Cb 0.14 -1.34 -0.13 0.00 -0.01 0.00 0.00 39.48 38.13 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 -3.62 1.40 -0.15 -1.08 1.02 -1.12 -5.08 119.74 111.12 1t60 s LYS 203 Ca 0.62 -1.20 -0.39 0.00 0.02 0.00 0.00 55.97 55.02 1t60 s LYS 203 Cb 0.49 -1.72 -0.16 0.00 -0.52 0.00 0.00 37.83 35.92 1t60 s LYS 203 CO 0.01 0.42 1.63 1.17 -0.92 0.00 0.00 175.35 177.65 1t60 n LYS 204 N 1.26 1.23 -1.69 1.68 4.81 -1.26 -4.86 118.16 119.33 1t60 n LYS 204 Ca -0.18 0.45 -0.40 0.00 -0.87 0.00 0.00 58.31 57.31 1t60 n LYS 204 Cb 0.53 -2.13 0.03 0.00 0.02 0.00 0.00 35.03 33.48 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 4.53 1.62 -3.22 1.64 -0.02 -1.26 -4.93 135.00 133.36 1t60 n PRO 205 Ca 0.24 0.59 -0.43 0.00 -2.02 0.00 0.00 63.50 61.88 1t60 n PRO 205 Cb 0.16 -2.37 -0.08 0.00 -0.02 0.00 0.00 33.50 31.19 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 -1.29 4.97 0.43 3.45 2.01 -1.26 -5.03 115.64 118.92 1t60 s THR 206 Ca 0.67 -0.16 -0.24 0.00 0.31 0.00 0.00 61.69 62.27 1t60 s THR 206 Cb -0.47 -4.12 -0.10 0.00 0.01 0.00 0.00 72.50 67.82 1t60 s THR 206 CO 0.53 -0.52 1.08 -2.65 -0.69 0.00 0.00 174.62 172.38 1t60 n PRO 207 N 5.91 1.47 -3.73 4.92 -0.02 -1.26 -5.00 135.00 137.29 1t60 n PRO 207 Ca -0.05 0.53 -0.14 0.00 -2.02 0.00 0.00 63.50 61.83 1t60 n PRO 207 Cb 0.47 -2.14 -0.09 0.00 -0.02 0.00 0.00 33.50 31.72 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 -0.72 -0.34 -0.23 2.55 0.15 -1.26 -5.13 113.70 108.72 1t60 s SER 208 Ca 0.64 0.50 -0.01 0.00 0.70 0.00 0.00 55.95 57.77 1t60 s SER 208 Cb -0.53 0.58 0.06 0.00 -1.71 0.00 0.00 66.02 64.43 1t60 s SER 208 CO 0.56 -0.30 0.00 -0.89 1.20 0.00 0.00 173.24 173.81 1t60 s THR 209 N -0.54 1.04 -0.08 6.45 2.01 -1.26 -5.13 115.64 118.13 1t60 s THR 209 Ca -0.07 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 60.92 1t60 s THR 209 Cb -0.04 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 1t60 s THR 209 CO 0.03 -0.21 0.10 -0.76 -0.69 0.00 0.00 174.62 173.09 1t60 s LEU 210 N 1.61 4.13 0.39 4.42 1.43 -1.26 -5.11 118.68 124.28 1t60 s LEU 210 Ca -0.02 0.33 0.08 0.00 -1.03 0.00 0.00 54.13 53.49 1t60 s LEU 210 Cb -0.18 -2.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.92 1t60 s LEU 210 CO -0.09 0.37 0.43 -0.54 0.23 0.00 0.00 176.35 176.75 1t60 s LYS 211 N -1.21 2.77 -0.13 1.70 1.02 -1.26 -4.79 119.74 117.84 1t60 s LYS 211 Ca 0.17 -1.30 -0.40 0.00 0.02 0.00 0.00 55.97 54.46 1t60 s LYS 211 Cb -0.12 -2.59 -0.17 0.00 -0.52 0.00 0.00 37.83 34.43 1t60 s LYS 211 CO 0.07 -0.11 1.46 0.00 -0.92 0.00 0.00 175.35 175.85 1t60 n ALA 212 N -1.61 -1.26 0.00 5.17 0.00 -1.26 -1.64 120.51 119.91 1t60 n ALA 212 Ca 0.03 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1t60 n ALA 212 Cb 0.60 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 3.07 3.13 0.67 0.00 0.00 -1.26 -4.80 105.19 106.00 1t60 n GLY 213 Ca 0.23 -1.06 0.09 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 1.40 0.00 1.61 2.13 -0.65 -4.73 120.64 120.40 1t60 n GLU 214 Ca 0.00 -1.48 0.00 0.00 0.66 0.00 0.00 57.16 56.34 1t60 n GLU 214 Cb 0.00 -1.33 0.00 0.00 0.27 0.00 0.00 31.44 30.38 1t60 n GLU 214 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1t60 n LEU 215 N 0.91 0.00 0.17 4.31 4.32 -1.15 -2.19 117.00 123.37 1t60 n LEU 215 Ca 0.10 0.94 0.06 0.00 -0.02 0.00 0.00 56.01 57.09 1t60 n LEU 215 Cb 0.42 -0.44 0.34 0.00 -1.62 0.00 0.00 43.42 42.12 1t60 n LEU 215 CO 0.11 -0.44 0.80 0.54 -1.22 0.00 0.00 177.39 177.18 1t60 n ARG 216 N -2.43 0.09 0.31 3.23 1.74 -1.26 -2.14 116.66 116.20 1t60 n ARG 216 Ca 0.00 0.57 0.19 0.00 -0.77 0.00 0.00 57.85 57.84 1t60 n ARG 216 Cb 0.00 -2.11 1.04 0.00 -1.02 0.00 0.00 32.46 30.36 1t60 n ARG 216 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1t60 h THR 217 N 0.00 0.19 -0.25 0.55 1.03 -1.77 -2.45 112.91 110.21 1t60 h THR 217 Ca 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 66.41 66.27 1t60 h THR 217 Cb 0.67 1.10 0.00 0.00 -1.07 0.00 0.00 68.15 68.86 1t60 h THR 217 CO 0.00 0.02 0.00 1.41 -0.01 0.00 0.00 175.52 176.94 1t60 n HIS 218 N -3.32 0.33 -3.51 0.00 8.25 -0.91 -4.87 115.22 111.19 1t60 n HIS 218 Ca -0.02 -0.41 -0.37 0.00 -0.26 0.00 0.00 57.72 56.66 1t60 n HIS 218 Cb 0.12 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.14 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 -0.96 5.29 0.57 1.59 1.01 -0.92 -1.44 120.40 125.53 1t60 s VAL 219 Ca 0.18 0.58 -0.20 0.00 0.00 0.00 0.00 61.98 62.54 1t60 s VAL 219 Cb 0.10 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1t60 s VAL 219 CO 0.13 0.37 1.27 -0.55 0.00 0.00 0.00 175.10 176.32 1t60 s SER 220 N 0.54 5.25 0.24 3.32 0.15 -0.07 -4.62 113.70 118.52 1t60 s SER 220 Ca 0.17 2.55 0.07 0.00 0.70 0.00 0.00 55.95 59.44 1t60 s SER 220 Cb -0.13 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.53 1t60 s SER 220 CO 0.05 -1.57 0.22 -0.13 1.20 0.00 0.00 173.24 173.01 1t60 s ARG 221 N -3.10 3.02 0.20 5.44 1.81 -0.96 -1.71 118.95 123.65 1t60 s ARG 221 Ca 0.74 -0.99 -0.09 0.00 -1.72 0.00 0.00 55.73 53.68 1t60 s ARG 221 Cb -0.35 -2.63 -0.01 0.00 -0.45 0.00 0.00 34.95 31.51 1t60 s ARG 221 CO 0.40 0.41 0.32 0.00 -0.68 0.00 0.00 175.30 175.75 1t60 s GLN 223 N -4.02 0.07 -0.23 0.00 0.74 -0.70 -1.01 119.66 114.51 1t60 s GLN 223 Ca 0.23 0.09 -0.10 0.00 0.05 0.00 0.00 55.36 55.63 1t60 s GLN 223 Cb 0.03 0.03 -0.05 0.00 1.10 0.00 0.00 33.01 34.12 1t60 s GLN 223 CO 0.06 -0.01 0.16 0.08 -0.55 0.00 0.00 175.29 175.02 1t60 s VAL 224 N 0.05 5.37 0.13 1.34 1.01 0.29 -1.35 120.40 127.24 1t60 s VAL 224 Ca -0.00 0.19 0.10 0.00 0.00 0.00 0.00 61.98 62.26 1t60 s VAL 224 Cb -0.01 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1t60 s VAL 224 CO 0.00 0.36 -0.23 0.00 0.00 0.00 0.00 175.10 175.23 1t60 s MET 226 N -2.17 1.76 -1.33 0.00 1.75 0.34 -0.60 119.30 119.05 1t60 s MET 226 Ca 0.12 -0.89 -0.16 0.00 -1.25 0.00 0.00 55.69 53.51 1t60 s MET 226 Cb -0.09 -1.77 0.08 0.00 2.84 0.00 0.00 34.83 35.88 1t60 s MET 226 CO 0.06 0.48 1.85 -2.13 -0.65 0.00 0.00 175.02 174.62 1t60 n ARG 227 N 2.27 3.15 -3.62 4.11 0.00 -0.67 -0.73 116.66 121.17 1t60 n ARG 227 Ca -0.16 -3.17 -0.15 0.00 -0.00 0.00 0.00 57.85 54.36 1t60 n ARG 227 Cb 0.52 -3.36 -0.07 0.00 0.00 0.00 0.00 32.46 29.55 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 3.44 0.84 0.00 -0.14 3.52 -1.19 -4.74 118.95 120.69 1t60 s ARG 228 Ca 0.50 0.61 0.00 0.00 -0.13 0.00 0.00 55.73 56.71 1t60 s ARG 228 Cb 0.06 0.40 0.00 0.00 -1.56 0.00 0.00 34.95 33.86 1t60 s ARG 228 CO 0.02 -0.17 0.00 2.41 -0.81 0.00 0.00 175.30 176.75