#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t60 n GLY 4 N 0.00 1.60 3.75 3.28 0.00 -1.26 -5.11 105.19 107.45 1t60 n GLY 4 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1t60 n GLY 4 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1t60 s TYR 5 N -2.00 3.28 -0.15 1.61 6.14 -1.26 -4.90 117.35 120.07 1t60 s TYR 5 Ca 0.00 1.43 -0.02 0.00 0.64 0.00 0.00 57.07 59.12 1t60 s TYR 5 Cb 0.00 -3.54 -0.02 0.00 0.42 0.00 0.00 41.96 38.83 1t60 s TYR 5 CO 0.00 -1.48 -0.09 -0.51 0.64 0.00 0.00 175.55 174.12 1t60 s LEU 6 N -1.10 2.93 -0.29 6.97 1.43 -1.26 -0.74 118.68 126.62 1t60 s LEU 6 Ca 0.50 -0.26 -0.17 0.00 -1.03 0.00 0.00 54.13 53.17 1t60 s LEU 6 Cb -0.36 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1t60 s LEU 6 CO 0.44 0.14 0.45 -0.22 0.23 0.00 0.00 176.35 177.39 1t60 s LEU 7 N 0.50 4.13 -0.18 1.79 2.96 0.27 -4.85 118.68 123.30 1t60 s LEU 7 Ca -0.06 0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 54.04 1t60 s LEU 7 Cb -0.15 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 1t60 s LEU 7 CO 0.04 -0.29 0.06 -0.69 -1.32 0.00 0.00 176.35 174.15 1t60 s VAL 8 N 2.21 4.81 -0.09 1.68 1.01 -1.26 -0.74 120.40 128.03 1t60 s VAL 8 Ca 0.18 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.17 1t60 s VAL 8 Cb -0.16 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1t60 s VAL 8 CO 0.10 0.47 -0.22 -0.54 0.00 0.00 0.00 175.10 174.91 1t60 s LYS 9 N 0.28 2.73 -0.22 2.72 1.02 -0.43 -4.91 119.74 120.92 1t60 s LYS 9 Ca 0.04 -0.80 -0.04 0.00 0.02 0.00 0.00 55.97 55.18 1t60 s LYS 9 Cb -0.12 -2.12 -0.01 0.00 -0.52 0.00 0.00 37.83 35.06 1t60 s LYS 9 CO 0.00 0.19 -0.03 -1.01 -0.92 0.00 0.00 175.35 173.58 1t60 s HIS 10 N 0.30 2.97 0.16 3.18 3.76 -1.26 -1.38 115.29 123.02 1t60 s HIS 10 Ca -0.16 -0.86 0.14 0.00 -0.15 0.00 0.00 55.06 54.03 1t60 s HIS 10 Cb -0.17 -2.12 0.37 0.00 1.11 0.00 0.00 32.58 31.77 1t60 s HIS 10 CO 0.07 -0.52 1.59 0.66 -0.85 0.00 0.00 174.74 175.70 1t60 h SER 11 N 8.11 0.00 -1.90 1.40 4.64 -1.37 -3.47 113.55 120.95 1t60 h SER 11 Ca -0.41 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.56 1t60 h SER 11 Cb 1.16 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.19 1t60 h SER 11 CO 0.60 0.56 -0.41 0.00 -0.87 0.00 0.00 176.83 176.72 1t60 n GLN 12 N -3.56 -1.34 -4.15 4.77 6.02 -1.26 -4.96 117.38 112.90 1t60 n GLN 12 Ca -0.00 0.95 -0.14 0.00 -0.01 0.00 0.00 57.00 57.80 1t60 n GLN 12 Cb 0.63 -5.34 -0.07 0.00 1.02 0.00 0.00 30.24 26.48 1t60 n GLN 12 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1t60 s THR 13 N -2.80 0.00 -2.01 5.09 -4.23 -1.26 -3.70 115.64 106.73 1t60 s THR 13 Ca 0.00 -1.79 0.08 0.00 -1.18 0.00 0.00 61.69 58.80 1t60 s THR 13 Cb 0.00 -2.47 0.24 0.00 1.34 0.00 0.00 72.50 71.60 1t60 s THR 13 CO 0.00 0.00 1.31 -0.90 -0.54 0.00 0.00 174.62 174.49 1t60 n ASP 14 N -0.81 0.18 -4.50 3.99 5.75 -1.26 -2.02 116.55 117.88 1t60 n ASP 14 Ca 0.02 -1.77 -0.33 0.00 -0.01 0.00 0.00 54.79 52.70 1t60 n ASP 14 Cb 0.63 -0.02 -0.12 0.00 -1.03 0.00 0.00 41.12 40.58 1t60 n ASP 14 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1t60 s GLN 15 N -1.96 3.19 0.23 0.11 1.11 -1.26 -4.88 119.66 116.20 1t60 s GLN 15 Ca 0.13 -0.58 -0.32 0.00 0.01 0.00 0.00 55.36 54.60 1t60 s GLN 15 Cb 0.06 -2.69 -0.12 0.00 -1.01 0.00 0.00 33.01 29.25 1t60 s GLN 15 CO 0.10 0.42 1.67 -1.91 0.01 0.00 0.00 175.29 175.58 1t60 n GLU 16 N 2.97 2.69 -2.25 2.91 2.13 -1.26 -4.58 120.64 123.24 1t60 n GLU 16 Ca -0.18 0.97 -0.33 0.00 0.66 0.00 0.00 57.16 58.27 1t60 n GLU 16 Cb 0.53 -2.78 -0.01 0.00 0.27 0.00 0.00 31.44 29.45 1t60 n GLU 16 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1t60 s PRO 17 N 0.64 3.51 0.02 5.31 0.04 -1.26 -5.01 135.00 138.25 1t60 s PRO 17 Ca 0.72 1.29 -0.24 0.00 0.04 0.00 0.00 61.00 62.81 1t60 s PRO 17 Cb -0.52 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 31.91 1t60 s PRO 17 CO 0.38 -0.67 0.72 -1.64 0.04 0.00 0.00 177.00 175.83 1t60 s MET 18 N -3.70 4.45 0.49 4.56 -1.94 -1.26 -4.67 119.30 117.22 1t60 s MET 18 Ca 0.66 0.98 -0.21 0.00 -1.71 0.00 0.00 55.69 55.40 1t60 s MET 18 Cb -0.17 -3.37 -0.07 0.00 2.01 0.00 0.00 34.83 33.23 1t60 s MET 18 CO 0.30 0.28 1.10 0.00 -0.01 0.00 0.00 175.02 176.69 1t60 n PRO 20 N -0.85 0.30 -1.88 0.00 -0.02 -1.26 -4.87 135.00 126.42 1t60 n PRO 20 Ca 0.09 0.18 -0.41 0.00 -2.02 0.00 0.00 63.50 61.33 1t60 n PRO 20 Cb 0.51 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 1t60 n PRO 20 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1t60 s VAL 21 N -2.02 2.30 0.00 -1.45 0.11 -1.26 -1.78 120.40 116.30 1t60 s VAL 21 Ca 0.74 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 60.05 1t60 s VAL 21 Cb -0.30 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 1t60 s VAL 21 CO 0.50 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.92 1t60 n GLY 22 N 1.91 1.71 3.33 6.54 0.00 -1.26 -5.02 105.19 112.40 1t60 n GLY 22 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1t60 n GLY 22 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1t60 s MET 23 N -0.68 3.01 0.30 1.61 1.00 -0.73 -4.94 119.30 118.85 1t60 s MET 23 Ca 0.00 -0.91 -0.26 0.00 0.00 0.00 0.00 55.69 54.52 1t60 s MET 23 Cb 0.00 -3.38 -0.10 0.00 0.00 0.00 0.00 34.83 31.35 1t60 s MET 23 CO 0.00 -0.48 0.92 0.54 0.00 0.00 0.00 175.02 176.00 1t60 s ASN 24 N 1.48 7.36 -0.08 3.03 4.22 -1.25 -4.49 114.94 125.20 1t60 s ASN 24 Ca 0.02 1.80 -0.30 0.00 -2.14 0.00 0.00 52.86 52.25 1t60 s ASN 24 Cb -0.18 -2.56 -0.02 0.00 1.28 0.00 0.00 41.25 39.77 1t60 s ASN 24 CO 0.02 -0.02 1.06 -0.75 -2.04 0.00 0.00 177.10 175.38 1t60 s LYS 25 N -1.90 4.42 -0.04 3.55 2.20 -1.26 -0.73 119.74 125.97 1t60 s LYS 25 Ca 0.48 1.48 -0.15 0.00 -0.36 0.00 0.00 55.97 57.42 1t60 s LYS 25 Cb -0.20 -3.53 -0.31 0.00 -1.51 0.00 0.00 37.83 32.28 1t60 s LYS 25 CO 0.25 -0.33 0.76 -0.07 -0.36 0.00 0.00 175.35 175.60 1t60 h LEU 26 N 7.93 0.61 -7.27 5.43 3.38 -0.99 -3.48 115.31 120.93 1t60 h LEU 26 Ca -0.33 -0.92 0.18 0.00 0.09 0.00 0.00 57.88 56.90 1t60 h LEU 26 Cb 1.16 -0.20 -0.13 0.00 0.09 0.00 0.00 40.66 41.58 1t60 h LEU 26 CO 0.85 1.69 0.56 -1.66 0.09 0.00 0.00 178.44 179.97 1t60 s TRP 27 N -2.54 -0.21 0.27 1.13 -2.14 -1.23 -5.03 118.94 109.20 1t60 s TRP 27 Ca -0.15 0.02 0.10 0.00 2.66 0.00 0.00 56.10 58.74 1t60 s TRP 27 Cb 0.04 0.57 -0.05 0.00 -3.10 0.00 0.00 33.47 30.93 1t60 s TRP 27 CO 0.86 -0.58 -0.16 -1.54 -2.66 0.00 0.00 176.95 172.87 1t60 s SER 28 N -2.68 3.28 0.00 -2.66 1.04 -1.26 -1.12 113.70 110.30 1t60 s SER 28 Ca 0.09 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1t60 s SER 28 Cb -0.00 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1t60 s SER 28 CO -0.04 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1t60 n GLY 29 N -0.58 2.07 3.31 7.32 0.00 0.07 -4.34 105.19 113.05 1t60 n GLY 29 Ca -0.06 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 1t60 n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t60 s TYR 30 N -0.79 2.31 -0.54 1.61 1.51 0.01 -1.53 117.35 119.94 1t60 s TYR 30 Ca 0.00 -0.44 -0.27 0.00 -1.01 0.00 0.00 57.07 55.35 1t60 s TYR 30 Cb 0.00 -1.48 -0.01 0.00 -0.11 0.00 0.00 41.96 40.35 1t60 s TYR 30 CO 0.00 -0.03 1.73 -1.12 -1.11 0.00 0.00 175.55 175.02 1t60 s SER 31 N -0.64 5.64 -0.21 2.29 0.01 -0.47 -1.59 113.70 118.73 1t60 s SER 31 Ca 0.10 0.53 -0.19 0.00 1.31 0.00 0.00 55.95 57.71 1t60 s SER 31 Cb -0.10 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 1t60 s SER 31 CO -0.01 -2.05 0.54 -0.22 0.41 0.00 0.00 173.24 171.91 1t60 s LEU 32 N 7.78 4.12 -0.20 2.44 2.96 0.51 -1.35 118.68 134.94 1t60 s LEU 32 Ca 0.66 0.67 -0.16 0.00 -0.22 0.00 0.00 54.13 55.08 1t60 s LEU 32 Cb -0.14 -2.73 -0.10 0.00 0.50 0.00 0.00 46.19 43.72 1t60 s LEU 32 CO 0.25 -0.22 -0.13 -0.11 -1.32 0.00 0.00 176.35 174.82 1t60 n LEU 33 N 5.01 1.88 -3.55 -0.68 7.94 -0.18 -4.62 117.00 122.79 1t60 n LEU 33 Ca -0.04 0.45 -0.08 0.00 -1.11 0.00 0.00 56.01 55.23 1t60 n LEU 33 Cb 0.50 -0.87 -0.02 0.00 0.53 0.00 0.00 43.42 43.57 1t60 n LEU 33 CO 0.42 0.01 0.64 -0.72 -1.11 0.00 0.00 177.39 176.63 1t60 s TYR 34 N -2.46 -0.33 0.15 1.96 1.13 -0.99 -1.88 117.35 114.93 1t60 s TYR 34 Ca -0.27 0.13 0.06 0.00 -1.41 0.00 0.00 57.07 55.59 1t60 s TYR 34 Cb 0.06 0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 41.45 1t60 s TYR 34 CO 0.43 -0.67 0.02 -0.06 -2.51 0.00 0.00 175.55 172.75 1t60 s PHE 35 N -3.28 2.93 -0.20 -3.49 0.08 -0.54 -0.20 117.98 113.27 1t60 s PHE 35 Ca 0.06 -0.09 -0.01 0.00 0.12 0.00 0.00 56.93 57.01 1t60 s PHE 35 Cb -0.01 -1.44 0.06 0.00 -0.57 0.00 0.00 43.02 41.05 1t60 s PHE 35 CO -0.07 0.50 -0.01 -2.00 -0.10 0.00 0.00 175.22 173.55 1t60 s GLU 36 N -2.77 1.07 -0.12 0.44 2.12 -0.32 -0.70 118.70 118.42 1t60 s GLU 36 Ca 0.27 -0.62 0.03 0.00 0.36 0.00 0.00 54.97 55.01 1t60 s GLU 36 Cb -0.10 -2.25 0.01 0.00 0.26 0.00 0.00 34.13 32.05 1t60 s GLU 36 CO 0.19 -0.60 -0.22 0.20 -0.54 0.00 0.00 175.26 174.30 1t60 s GLY 37 N 1.67 1.30 -1.47 -1.50 0.00 -1.01 -2.08 107.32 104.25 1t60 s GLY 37 Ca -0.02 -1.01 -0.07 0.00 0.00 0.00 0.00 44.72 43.62 1t60 s GLY 37 CO -0.07 -0.07 0.88 -1.06 0.00 0.00 0.00 173.10 172.78 1t60 n GLN 38 N 3.94 -6.33 -4.04 2.90 1.13 -1.26 -2.29 117.38 111.43 1t60 n GLN 38 Ca -0.20 0.86 -0.32 0.00 -1.94 0.00 0.00 57.00 55.41 1t60 n GLN 38 Cb 0.52 -5.82 0.00 0.00 0.11 0.00 0.00 30.24 25.05 1t60 n GLN 38 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1t60 n GLU 39 N -4.50 -4.31 -3.84 -1.09 4.71 -1.26 -4.97 120.64 105.38 1t60 n GLU 39 Ca -0.05 0.49 -0.25 0.00 -0.01 0.00 0.00 57.16 57.33 1t60 n GLU 39 Cb 0.59 -5.22 -0.17 0.00 -1.01 0.00 0.00 31.44 25.63 1t60 n GLU 39 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1t60 s LYS 40 N -6.72 1.09 0.34 3.49 2.47 -0.97 -4.93 119.74 114.51 1t60 s LYS 40 Ca 0.60 -0.13 -0.26 0.00 -1.56 0.00 0.00 55.97 54.62 1t60 s LYS 40 Cb -0.32 -1.39 -0.09 0.00 -1.46 0.00 0.00 37.83 34.57 1t60 s LYS 40 CO 0.88 -0.31 1.01 0.00 0.16 0.00 0.00 175.35 177.08 1t60 s ALA 41 N 1.82 3.21 -0.18 3.13 0.00 -1.26 -2.40 121.76 126.08 1t60 s ALA 41 Ca 0.04 0.65 -0.02 0.00 0.00 0.00 0.00 51.96 52.64 1t60 s ALA 41 Cb -0.13 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 19.81 1t60 s ALA 41 CO -0.07 -0.01 0.01 -1.58 0.00 0.00 0.00 175.76 174.11 1t60 s HIS 42 N -1.52 1.24 0.40 0.00 2.46 0.12 -4.97 115.29 113.02 1t60 s HIS 42 Ca 0.51 -0.92 -0.01 0.00 0.47 0.00 0.00 55.06 55.11 1t60 s HIS 42 Cb -0.23 -1.11 -0.03 0.00 -0.13 0.00 0.00 32.58 31.09 1t60 s HIS 42 CO 0.29 -0.60 0.62 -0.80 -2.47 0.00 0.00 174.74 171.78 1t60 s ASN 43 N 1.79 6.19 -0.04 9.88 0.01 -1.26 -1.47 114.94 130.03 1t60 s ASN 43 Ca -0.01 0.52 0.06 0.00 -0.71 0.00 0.00 52.86 52.72 1t60 s ASN 43 Cb -0.17 -1.97 -0.02 0.00 0.41 0.00 0.00 41.25 39.50 1t60 s ASN 43 CO -0.07 -0.44 -0.23 -1.10 -1.51 0.00 0.00 177.10 173.75 1t60 s GLN 44 N -4.46 2.40 -0.12 -0.60 -1.52 -0.79 -4.98 119.66 109.59 1t60 s GLN 44 Ca 0.43 -0.87 -0.29 0.00 -1.95 0.00 0.00 55.36 52.68 1t60 s GLN 44 Cb -0.10 -2.18 -0.03 0.00 -0.22 0.00 0.00 33.01 30.49 1t60 s GLN 44 CO 0.38 0.49 1.38 0.34 -0.25 0.00 0.00 175.29 177.64 1t60 s ASP 45 N -0.43 6.86 0.16 5.90 3.68 -1.26 -4.82 116.67 126.77 1t60 s ASP 45 Ca 0.04 1.87 0.12 0.00 2.13 0.00 0.00 52.55 56.71 1t60 s ASP 45 Cb -0.12 -2.54 0.62 0.00 -1.45 0.00 0.00 42.92 39.43 1t60 s ASP 45 CO 0.01 -0.80 1.36 0.18 0.13 0.00 0.00 175.17 176.04 1t60 n LEU 46 N 6.69 0.29 -0.78 -1.34 4.77 -1.26 -0.80 117.00 124.56 1t60 n LEU 46 Ca 0.15 0.63 0.12 0.00 -0.03 0.00 0.00 56.01 56.88 1t60 n LEU 46 Cb 0.44 -0.66 0.17 0.00 -2.33 0.00 0.00 43.42 41.04 1t60 n LEU 46 CO 0.58 -0.71 0.63 0.61 -1.33 0.00 0.00 177.39 177.16 1t60 n GLY 47 N -1.31 0.62 3.60 -0.72 0.00 -1.26 -4.31 105.19 101.82 1t60 n GLY 47 Ca -0.01 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 1t60 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t60 s LEU 48 N -2.09 3.09 0.63 0.99 1.43 0.02 -4.47 118.68 118.28 1t60 s LEU 48 Ca 0.28 -0.48 0.35 0.00 -1.03 0.00 0.00 54.13 53.25 1t60 s LEU 48 Cb 0.20 -1.79 1.96 0.00 0.03 0.00 0.00 46.19 46.59 1t60 s LEU 48 CO 0.35 0.11 2.20 0.00 0.23 0.00 0.00 176.35 179.25 1t60 h ALA 49 N 2.98 1.40 0.00 4.21 0.00 -1.89 -1.64 119.26 124.32 1t60 h ALA 49 Ca -0.47 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1t60 h ALA 49 Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1t60 h ALA 49 CO 0.55 -0.14 -0.02 0.78 0.00 0.00 0.00 179.25 180.42 1t60 h GLY 50 N 0.00 0.00 0.84 0.00 0.00 -1.96 -1.30 103.07 100.66 1t60 h GLY 50 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1t60 h GLY 50 CO -0.00 0.00 -0.02 -1.14 0.00 0.00 0.00 176.54 175.38 1t60 n SER 51 N -3.24 0.32 -4.11 0.19 3.41 -0.62 -4.50 113.62 105.08 1t60 n SER 51 Ca -0.02 -0.88 -0.36 0.00 -0.26 0.00 0.00 58.87 57.36 1t60 n SER 51 Cb 0.16 -0.05 -0.12 0.00 -0.26 0.00 0.00 64.21 63.94 1t60 n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 s LEU 53 N 0.96 4.30 0.28 0.00 2.96 -0.62 -4.82 118.68 121.75 1t60 s LEU 53 Ca 0.10 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 1t60 s LEU 53 Cb -0.22 -2.39 0.59 0.00 0.50 0.00 0.00 46.19 44.66 1t60 s LEU 53 CO -0.04 -0.31 1.82 0.00 -1.32 0.00 0.00 176.35 176.49 1t60 h ALA 54 N 8.38 1.53 -3.16 5.97 0.00 -1.86 0.08 119.26 130.19 1t60 h ALA 54 Ca -0.30 0.04 -0.67 0.00 0.00 0.00 0.00 54.91 53.98 1t60 h ALA 54 Cb 1.15 -0.17 -0.32 0.00 0.00 0.00 0.00 17.79 18.45 1t60 h ALA 54 CO 0.69 0.14 -0.77 1.03 0.00 0.00 0.00 179.25 180.34 1t60 s ARG 55 N -5.94 3.00 0.54 0.00 0.52 -1.26 -4.57 118.95 111.24 1t60 s ARG 55 Ca -0.12 -0.86 -0.15 0.00 -0.52 0.00 0.00 55.73 54.08 1t60 s ARG 55 Cb 0.23 -2.89 -0.07 0.00 0.52 0.00 0.00 34.95 32.74 1t60 s ARG 55 CO 0.80 -0.31 0.99 0.12 0.02 0.00 0.00 175.30 176.93 1t60 s PHE 56 N 1.35 3.50 -0.26 -0.53 2.19 -1.26 -5.00 117.98 117.97 1t60 s PHE 56 Ca 0.03 1.41 -0.27 0.00 0.33 0.00 0.00 56.93 58.43 1t60 s PHE 56 Cb -0.15 -2.77 0.15 0.00 -1.31 0.00 0.00 43.02 38.94 1t60 s PHE 56 CO -0.06 -0.45 1.15 0.45 1.83 0.00 0.00 175.22 178.14 1t60 s SER 57 N -3.37 -0.30 0.55 6.13 0.15 -1.26 -5.00 113.70 110.60 1t60 s SER 57 Ca 0.58 0.51 0.30 0.00 0.70 0.00 0.00 55.95 58.04 1t60 s SER 57 Cb -0.10 0.49 1.62 0.00 -1.71 0.00 0.00 66.02 66.32 1t60 s SER 57 CO 0.37 -0.15 2.14 0.71 1.20 0.00 0.00 173.24 177.51 1t60 h THR 58 N 3.10 0.48 -2.66 6.45 1.35 -1.92 -3.29 112.91 116.42 1t60 h THR 58 Ca -0.24 -0.36 -0.60 0.00 -0.55 0.00 0.00 66.41 64.66 1t60 h THR 58 Cb 1.18 1.24 -0.39 0.00 -1.73 0.00 0.00 68.15 68.45 1t60 h THR 58 CO 0.18 0.07 -0.83 -0.32 -0.25 0.00 0.00 175.52 174.37 1t60 s MET 59 N -4.27 1.25 0.00 4.72 -2.45 -1.26 -3.92 119.30 113.38 1t60 s MET 59 Ca -0.03 -2.24 0.31 0.00 -1.25 0.00 0.00 55.69 52.47 1t60 s MET 59 Cb 0.13 -1.99 1.67 0.00 1.25 0.00 0.00 34.83 35.90 1t60 s MET 59 CO 0.56 -1.30 2.11 -0.35 1.05 0.00 0.00 175.02 177.09 1t60 n PRO 60 N 2.95 0.88 -4.40 4.11 -0.04 -1.24 -4.90 135.00 132.36 1t60 n PRO 60 Ca 0.21 -0.10 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 1t60 n PRO 60 Cb 0.41 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.27 1t60 n PRO 60 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t60 s PHE 61 N -2.19 1.79 0.26 0.54 -0.71 -1.26 -5.08 117.98 111.33 1t60 s PHE 61 Ca 0.40 -1.06 0.01 0.00 -1.04 0.00 0.00 56.93 55.25 1t60 s PHE 61 Cb 0.21 -1.13 -0.04 0.00 -1.21 0.00 0.00 43.02 40.85 1t60 s PHE 61 CO 0.40 -0.14 0.13 -0.48 -1.34 0.00 0.00 175.22 173.79 1t60 s LEU 62 N -3.42 1.52 0.05 -1.99 0.05 -1.26 -4.50 118.68 109.13 1t60 s LEU 62 Ca 0.37 -1.45 -0.02 0.00 0.05 0.00 0.00 54.13 53.07 1t60 s LEU 62 Cb 0.08 0.19 -0.03 0.00 -2.05 0.00 0.00 46.19 44.38 1t60 s LEU 62 CO 0.15 -0.82 0.02 -0.72 -0.55 0.00 0.00 176.35 174.43 1t60 s TYR 63 N -3.81 0.40 0.07 3.48 -0.85 -0.98 -5.00 117.35 110.65 1t60 s TYR 63 Ca 0.38 -0.86 0.01 0.00 -0.52 0.00 0.00 57.07 56.08 1t60 s TYR 63 Cb 0.07 -0.29 -0.03 0.00 0.38 0.00 0.00 41.96 42.08 1t60 s TYR 63 CO 0.15 -0.37 -0.06 0.00 -1.52 0.00 0.00 175.55 173.74 1t60 s ASN 65 N -2.47 3.07 0.65 0.00 2.20 -0.73 -5.00 114.94 112.66 1t60 s ASN 65 Ca 0.02 -1.13 0.18 0.00 -0.94 0.00 0.00 52.86 51.00 1t60 s ASN 65 Cb 0.00 -0.22 0.97 0.00 -2.00 0.00 0.00 41.25 40.00 1t60 s ASN 65 CO -0.04 -0.22 1.54 -0.65 -2.94 0.00 0.00 177.10 174.79 1t60 h PRO 66 N 2.28 0.00 0.00 3.55 0.11 -2.03 -1.64 132.00 134.28 1t60 h PRO 66 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1t60 h PRO 66 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1t60 h PRO 66 CO 0.66 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.86 1t60 n GLY 67 N -1.38 -0.63 2.89 -0.55 0.00 -1.26 -4.81 105.19 99.44 1t60 n GLY 67 Ca 0.01 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 1t60 n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t60 n ASP 68 N -0.73 -4.35 -4.05 1.61 10.43 -0.62 -5.03 116.55 113.81 1t60 n ASP 68 Ca 0.07 -0.39 -0.24 0.00 2.57 0.00 0.00 54.79 56.80 1t60 n ASP 68 Cb 0.03 -3.65 -0.16 0.00 1.84 0.00 0.00 41.12 39.18 1t60 n ASP 68 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1t60 s VAL 69 N -3.23 1.17 0.01 2.53 1.01 -1.23 -5.03 120.40 115.64 1t60 s VAL 69 Ca 0.31 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.83 1t60 s VAL 69 Cb -0.14 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1t60 s VAL 69 CO 0.50 0.35 -0.21 0.00 0.00 0.00 0.00 175.10 175.75 1t60 s TYR 71 N -0.63 2.21 -0.15 0.00 2.02 0.22 -4.98 117.35 116.03 1t60 s TYR 71 Ca 0.08 -0.88 -0.01 0.00 -0.37 0.00 0.00 57.07 55.89 1t60 s TYR 71 Cb -0.08 -1.51 -0.01 0.00 -0.40 0.00 0.00 41.96 39.96 1t60 s TYR 71 CO 0.00 -0.37 -0.10 -0.47 -1.57 0.00 0.00 175.55 173.05 1t60 s TYR 72 N 0.41 2.87 -1.75 2.71 6.14 -1.26 -2.32 117.35 124.15 1t60 s TYR 72 Ca -0.17 -0.69 -0.18 0.00 0.64 0.00 0.00 57.07 56.67 1t60 s TYR 72 Cb -0.17 -1.92 0.17 0.00 0.42 0.00 0.00 41.96 40.46 1t60 s TYR 72 CO 0.07 -0.27 0.60 0.00 0.64 0.00 0.00 175.55 176.59 1t60 n ALA 73 N 3.82 -1.36 -1.28 3.97 0.00 -1.26 -4.82 120.51 119.57 1t60 n ALA 73 Ca -0.18 -0.15 0.07 0.00 0.00 0.00 0.00 53.44 53.17 1t60 n ALA 73 Cb 0.52 -2.67 0.19 0.00 0.00 0.00 0.00 19.45 17.49 1t60 n ALA 73 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t60 n SER 74 N -2.61 2.36 0.00 0.00 7.64 -1.26 -4.72 113.62 115.02 1t60 n SER 74 Ca 0.03 -3.44 0.00 0.00 1.01 0.00 0.00 58.87 56.47 1t60 n SER 74 Cb 0.51 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1t60 n SER 74 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1t60 n ARG 75 N -1.18 0.00 -1.72 1.43 0.63 -1.26 -5.08 116.66 109.48 1t60 n ARG 75 Ca 0.20 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 57.16 1t60 n ARG 75 Cb 0.74 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.69 1t60 n ARG 75 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1t60 n ASN 76 N 0.00 1.17 -4.82 6.15 4.05 -1.26 -4.83 115.26 115.72 1t60 n ASN 76 Ca 0.00 -2.10 -0.26 0.00 0.45 0.00 0.00 54.58 52.67 1t60 n ASN 76 Cb 0.00 -0.34 0.09 0.00 1.23 0.00 0.00 39.78 40.75 1t60 n ASN 76 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 1t60 s ASP 77 N -2.40 4.56 0.28 1.20 -0.00 -1.26 -4.94 116.67 114.10 1t60 s ASP 77 Ca 0.33 0.42 -0.07 0.00 -0.00 0.00 0.00 52.55 53.24 1t60 s ASP 77 Cb 0.38 -0.97 -0.01 0.00 -0.00 0.00 0.00 42.92 42.32 1t60 s ASP 77 CO -0.14 -1.78 0.42 -1.59 -0.00 0.00 0.00 175.17 172.08 1t60 s LYS 78 N -5.35 1.65 0.06 8.23 -2.85 -0.88 -2.18 119.74 118.41 1t60 s LYS 78 Ca 0.62 -1.52 0.02 0.00 -1.00 0.00 0.00 55.97 54.09 1t60 s LYS 78 Cb -0.10 0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 36.07 1t60 s LYS 78 CO 0.46 -0.67 -0.08 -1.54 0.10 0.00 0.00 175.35 173.63 1t60 s SER 79 N -3.13 0.94 -0.02 0.03 1.04 -0.86 -1.18 113.70 110.52 1t60 s SER 79 Ca 0.28 -0.66 0.04 0.00 0.48 0.00 0.00 55.95 56.09 1t60 s SER 79 Cb 0.01 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 1t60 s SER 79 CO 0.14 -0.27 -0.15 -0.31 0.98 0.00 0.00 173.24 173.63 1t60 s TYR 80 N -1.94 1.42 0.05 5.02 2.02 0.72 -0.51 117.35 124.13 1t60 s TYR 80 Ca -0.04 -0.32 0.03 0.00 -0.37 0.00 0.00 57.07 56.36 1t60 s TYR 80 Cb -0.06 -0.94 -0.03 0.00 -0.40 0.00 0.00 41.96 40.53 1t60 s TYR 80 CO -0.01 -0.07 -0.09 -1.58 -1.57 0.00 0.00 175.55 172.23 1t60 s TRP 81 N -0.18 0.81 0.44 2.71 0.52 -0.85 -1.01 118.94 121.38 1t60 s TRP 81 Ca 0.02 -0.49 -0.25 0.00 0.02 0.00 0.00 56.10 55.40 1t60 s TRP 81 Cb -0.08 -0.47 -0.08 0.00 -1.15 0.00 0.00 33.47 31.69 1t60 s TRP 81 CO 0.00 -0.05 1.32 -0.51 0.02 0.00 0.00 176.95 177.74 1t60 s LEU 82 N -1.64 4.13 0.49 2.99 1.43 -0.46 -0.82 118.68 124.81 1t60 s LEU 82 Ca -0.08 2.69 0.06 0.00 -1.03 0.00 0.00 54.13 55.77 1t60 s LEU 82 Cb -0.10 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 42.14 1t60 s LEU 82 CO 0.01 -1.01 0.30 -0.94 0.23 0.00 0.00 176.35 174.94 1t60 s SER 83 N -0.77 4.59 0.19 2.29 1.04 -0.18 -1.44 113.70 119.42 1t60 s SER 83 Ca 0.60 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1t60 s SER 83 Cb -0.39 0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.79 1t60 s SER 83 CO 0.49 -0.87 0.00 0.35 0.98 0.00 0.00 173.24 174.18 1t60 n THR 84 N -1.55 0.00 1.52 2.02 -2.24 -0.69 -4.46 114.28 108.87 1t60 n THR 84 Ca -0.02 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.86 1t60 n THR 84 Cb 0.64 -1.19 0.45 0.00 -2.10 0.00 0.00 70.33 68.13 1t60 n THR 84 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1t60 n THR 85 N -1.18 0.12 -1.52 4.28 -2.24 -1.24 -4.93 114.28 107.57 1t60 n THR 85 Ca 0.00 -0.22 -0.41 0.00 -2.27 0.00 0.00 64.05 61.15 1t60 n THR 85 Cb 0.00 0.13 0.01 0.00 -2.10 0.00 0.00 70.33 68.37 1t60 n THR 85 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t60 n ALA 86 N -0.09 -0.79 -1.81 6.98 0.00 -1.26 -4.85 120.51 118.69 1t60 n ALA 86 Ca 0.16 0.18 -0.41 0.00 0.00 0.00 0.00 53.44 53.37 1t60 n ALA 86 Cb 0.23 -1.91 -0.02 0.00 0.00 0.00 0.00 19.45 17.76 1t60 n ALA 86 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1t60 s PRO 87 N -1.80 4.25 -0.18 0.00 0.04 -1.26 -4.88 135.00 131.16 1t60 s PRO 87 Ca 0.64 2.36 -0.34 0.00 0.04 0.00 0.00 61.00 63.70 1t60 s PRO 87 Cb -0.58 -3.06 -0.11 0.00 0.04 0.00 0.00 34.50 30.79 1t60 s PRO 87 CO 0.57 -0.39 1.99 1.28 0.04 0.00 0.00 177.00 180.49 1t60 n LEU 88 N 1.35 3.03 -4.73 -3.56 7.99 -1.26 -4.90 117.00 114.93 1t60 n LEU 88 Ca 0.03 0.75 -0.33 0.00 -0.01 0.00 0.00 56.01 56.46 1t60 n LEU 88 Cb 0.40 -1.35 0.10 0.00 -0.11 0.00 0.00 43.42 42.47 1t60 n LEU 88 CO 0.61 -0.32 0.74 -2.16 -1.51 0.00 0.00 177.39 174.75 1t60 s PRO 89 N 4.84 2.02 0.17 3.23 0.04 -1.26 -4.93 135.00 139.10 1t60 s PRO 89 Ca 0.98 1.52 0.09 0.00 0.04 0.00 0.00 61.00 63.63 1t60 s PRO 89 Cb -0.72 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 31.85 1t60 s PRO 89 CO 0.50 -1.88 1.33 0.00 0.04 0.00 0.00 177.00 177.00 1t60 h MET 90 N -0.79 0.00 -4.44 4.56 -0.00 -1.99 -3.47 114.93 108.80 1t60 h MET 90 Ca -0.45 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.06 1t60 h MET 90 Cb 1.27 0.00 -0.15 0.00 -0.00 0.00 0.00 31.60 32.72 1t60 h MET 90 CO 0.49 0.85 -0.65 -1.64 -0.00 0.00 0.00 176.91 175.96 1t60 s MET 91 N -2.79 0.92 0.54 -0.10 -1.94 -1.26 -5.13 119.30 109.54 1t60 s MET 91 Ca 0.02 -1.43 -0.21 0.00 -1.71 0.00 0.00 55.69 52.36 1t60 s MET 91 Cb 0.09 0.20 -0.06 0.00 2.01 0.00 0.00 34.83 37.07 1t60 s MET 91 CO 0.80 -0.24 1.08 -2.30 -0.01 0.00 0.00 175.02 174.35 1t60 n PRO 92 N -0.09 1.25 -4.07 2.03 -0.02 -1.26 -4.97 135.00 127.87 1t60 n PRO 92 Ca -0.06 0.46 -0.36 0.00 -2.02 0.00 0.00 63.50 61.53 1t60 n PRO 92 Cb 0.63 -2.24 -0.08 0.00 -0.02 0.00 0.00 33.50 31.79 1t60 n PRO 92 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1t60 s VAL 93 N -1.39 4.97 -0.04 -1.45 -7.23 -0.07 -4.93 120.40 110.27 1t60 s VAL 93 Ca 0.71 0.01 0.02 0.00 -1.81 0.00 0.00 61.98 60.91 1t60 s VAL 93 Cb -0.45 -3.16 -0.03 0.00 0.56 0.00 0.00 36.38 33.30 1t60 s VAL 93 CO 0.51 0.58 -0.06 0.00 -0.31 0.00 0.00 175.10 175.81 1t60 s ALA 94 N -0.69 3.02 0.00 1.32 0.00 -1.26 -1.70 121.76 122.44 1t60 s ALA 94 Ca 0.12 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1t60 s ALA 94 Cb -0.12 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.79 1t60 s ALA 94 CO 0.03 0.59 0.00 0.39 0.00 0.00 0.00 175.76 176.77 1t60 n GLU 95 N 1.95 0.00 0.27 0.00 1.02 -0.82 -1.24 120.64 121.82 1t60 n GLU 95 Ca -0.17 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.12 1t60 n GLU 95 Cb 0.53 0.00 0.86 0.00 -0.02 0.00 0.00 31.44 32.81 1t60 n GLU 95 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1t60 h GLU 96 N 0.00 0.00 0.00 3.49 4.57 -1.96 -0.96 114.58 119.72 1t60 h GLU 96 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1t60 h GLU 96 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1t60 h GLU 96 CO 0.00 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 177.58 1t60 n ASP 97 N -3.95 0.14 0.06 1.04 10.43 -0.37 -2.77 116.55 121.14 1t60 n ASP 97 Ca -0.02 0.53 -0.17 0.00 2.57 0.00 0.00 54.79 57.71 1t60 n ASP 97 Cb 0.13 -0.57 -0.08 0.00 1.84 0.00 0.00 41.12 42.45 1t60 n ASP 97 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 1t60 h ILE 98 N 0.00 1.36 -0.92 0.53 2.04 -1.30 -3.38 117.51 115.84 1t60 h ILE 98 Ca 0.00 -2.43 0.24 0.00 1.00 0.00 0.00 64.86 63.67 1t60 h ILE 98 Cb 0.28 2.47 -0.17 0.00 -0.74 0.00 0.00 36.82 38.67 1t60 h ILE 98 CO 0.00 0.73 0.05 -0.09 0.00 0.00 0.00 178.15 178.85 1t60 h ARG 99 N 0.27 0.06 0.00 2.37 2.43 -1.66 0.13 114.38 117.98 1t60 h ARG 99 Ca -0.11 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1t60 h ARG 99 Cb 1.68 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.21 1t60 h ARG 99 CO 0.19 0.04 0.00 -2.30 -1.51 0.00 0.00 179.97 176.39 1t60 n PRO 100 N -5.42 0.10 0.02 0.20 -0.02 -1.26 -2.76 135.00 125.86 1t60 n PRO 100 Ca 0.21 0.49 0.11 0.00 -2.02 0.00 0.00 63.50 62.29 1t60 n PRO 100 Cb 0.68 -1.76 -0.01 0.00 -0.02 0.00 0.00 33.50 32.39 1t60 n PRO 100 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1t60 n TYR 101 N -1.97 0.19 -3.37 6.00 4.01 0.44 -4.56 117.16 117.91 1t60 n TYR 101 Ca 0.01 0.06 -0.38 0.00 -0.16 0.00 0.00 57.90 57.42 1t60 n TYR 101 Cb 0.10 -0.37 -0.07 0.00 -0.31 0.00 0.00 39.34 38.68 1t60 n TYR 101 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1t60 s ILE 102 N -3.19 5.18 0.50 -0.72 -1.09 -1.11 -1.71 121.20 119.06 1t60 s ILE 102 Ca 0.04 0.74 -0.22 0.00 -2.23 0.00 0.00 60.65 58.97 1t60 s ILE 102 Cb 0.15 -3.74 -0.06 0.00 -1.58 0.00 0.00 42.46 37.22 1t60 s ILE 102 CO 0.82 0.23 1.25 -0.55 -1.23 0.00 0.00 174.94 175.46 1t60 s SER 103 N 1.10 5.75 0.25 3.58 0.15 -0.52 -4.44 113.70 119.58 1t60 s SER 103 Ca 0.20 2.52 0.06 0.00 0.70 0.00 0.00 55.95 59.43 1t60 s SER 103 Cb -0.15 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.51 1t60 s SER 103 CO 0.08 -1.22 0.25 -0.13 1.20 0.00 0.00 173.24 173.42 1t60 s ARG 104 N -2.79 3.09 0.15 5.44 1.81 -0.86 -1.37 118.95 124.42 1t60 s ARG 104 Ca 0.67 -0.96 -0.08 0.00 -1.72 0.00 0.00 55.73 53.64 1t60 s ARG 104 Cb -0.34 -2.67 -0.01 0.00 -0.45 0.00 0.00 34.95 31.48 1t60 s ARG 104 CO 0.41 0.41 0.25 0.00 -0.68 0.00 0.00 175.30 175.68 1t60 s SER 106 N -2.95 0.10 -0.24 0.00 0.01 -0.48 -0.75 113.70 109.39 1t60 s SER 106 Ca 0.15 -0.15 -0.05 0.00 1.31 0.00 0.00 55.95 57.21 1t60 s SER 106 Cb 0.04 0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.29 1t60 s SER 106 CO -0.02 -0.08 -0.00 -0.69 0.41 0.00 0.00 173.24 172.85 1t60 s VAL 107 N -0.43 3.60 -0.09 3.43 1.01 -0.28 -1.32 120.40 126.33 1t60 s VAL 107 Ca -0.05 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1t60 s VAL 107 Cb -0.03 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 1t60 s VAL 107 CO -0.00 0.34 -0.18 0.00 0.00 0.00 0.00 175.10 175.25 1t60 s GLU 109 N -0.01 3.93 0.06 0.00 2.56 0.09 -0.57 118.70 124.76 1t60 s GLU 109 Ca -0.06 1.98 -0.02 0.00 0.00 0.00 0.00 54.97 56.88 1t60 s GLU 109 Cb -0.15 -4.05 -0.04 0.00 2.00 0.00 0.00 34.13 31.89 1t60 s GLU 109 CO 0.05 -1.14 0.24 0.00 -0.56 0.00 0.00 175.26 173.84 1t60 s ALA 110 N 4.90 3.96 0.33 6.30 0.00 0.08 -3.92 121.76 133.41 1t60 s ALA 110 Ca 0.76 -0.77 0.18 0.00 0.00 0.00 0.00 51.96 52.13 1t60 s ALA 110 Cb -0.30 -1.90 0.91 0.00 0.00 0.00 0.00 23.12 21.82 1t60 s ALA 110 CO 0.31 0.78 1.87 -1.35 0.00 0.00 0.00 175.76 177.37 1t60 h PRO 111 N 3.20 0.00 0.00 0.00 0.11 -1.92 -3.39 132.00 130.00 1t60 h PRO 111 Ca -0.46 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.73 1t60 h PRO 111 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1t60 h PRO 111 CO 0.74 0.30 0.42 0.00 -0.21 0.00 0.00 178.00 179.25 1t60 n ALA 112 N -2.38 -2.09 -1.77 -0.75 0.00 -1.26 -4.58 120.51 107.68 1t60 n ALA 112 Ca -0.01 -0.98 -0.36 0.00 0.00 0.00 0.00 53.44 52.08 1t60 n ALA 112 Cb 0.38 0.64 -0.01 0.00 0.00 0.00 0.00 19.45 20.46 1t60 n ALA 112 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1t60 s VAL 113 N -2.15 3.14 0.04 0.00 1.01 -1.26 -4.79 120.40 116.40 1t60 s VAL 113 Ca 0.18 0.82 0.08 0.00 0.00 0.00 0.00 61.98 63.06 1t60 s VAL 113 Cb -0.03 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 1t60 s VAL 113 CO 0.07 -0.05 -0.23 0.00 0.00 0.00 0.00 175.10 174.89 1t60 s ALA 114 N -1.61 1.95 0.21 5.51 0.00 -1.26 -2.11 121.76 124.44 1t60 s ALA 114 Ca 0.66 -1.13 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 1t60 s ALA 114 Cb -0.27 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1t60 s ALA 114 CO 0.32 0.45 0.13 0.96 0.00 0.00 0.00 175.76 177.63 1t60 s ILE 115 N -0.79 0.02 0.06 0.00 -4.36 -0.14 -4.74 121.20 111.26 1t60 s ILE 115 Ca 0.09 -2.00 0.10 0.00 -0.26 0.00 0.00 60.65 58.58 1t60 s ILE 115 Cb -0.09 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 41.08 1t60 s ILE 115 CO 0.02 0.00 -0.26 0.00 0.24 0.00 0.00 174.94 174.93 1t60 s ALA 116 N -4.13 2.29 0.06 2.27 0.00 -0.78 -0.67 121.76 120.79 1t60 s ALA 116 Ca 0.39 -1.31 0.07 0.00 0.00 0.00 0.00 51.96 51.11 1t60 s ALA 116 Cb 0.07 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 1t60 s ALA 116 CO 0.12 0.54 -0.20 0.14 0.00 0.00 0.00 175.76 176.37 1t60 s VAL 117 N -0.86 1.58 -0.04 0.00 -7.23 -0.55 -4.50 120.40 108.80 1t60 s VAL 117 Ca 0.12 -1.27 0.04 0.00 -1.81 0.00 0.00 61.98 59.07 1t60 s VAL 117 Cb -0.10 -1.40 -0.00 0.00 0.56 0.00 0.00 36.38 35.44 1t60 s VAL 117 CO 0.03 0.09 -0.17 -1.00 -0.31 0.00 0.00 175.10 173.74 1t60 s HIS 118 N -0.92 1.68 -0.11 2.82 3.76 -1.26 -1.94 115.29 119.32 1t60 s HIS 118 Ca 0.06 -0.49 0.16 0.00 -0.15 0.00 0.00 55.06 54.64 1t60 s HIS 118 Cb -0.09 -1.14 -0.15 0.00 1.11 0.00 0.00 32.58 32.32 1t60 s HIS 118 CO 0.02 -0.17 0.80 -1.13 -0.85 0.00 0.00 174.74 173.41 1t60 n SER 119 N 3.19 0.86 -3.33 1.40 3.41 -0.69 -4.94 113.62 113.52 1t60 n SER 119 Ca -0.18 0.38 -0.24 0.00 -0.26 0.00 0.00 58.87 58.57 1t60 n SER 119 Cb 0.53 0.13 0.04 0.00 -0.26 0.00 0.00 64.21 64.65 1t60 n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 n GLN 120 N -2.91 -5.37 -3.67 4.33 6.02 -1.26 -4.92 117.38 109.60 1t60 n GLN 120 Ca -0.11 0.77 -0.10 0.00 -0.01 0.00 0.00 57.00 57.55 1t60 n GLN 120 Cb 0.87 -5.65 -0.04 0.00 1.02 0.00 0.00 30.24 26.43 1t60 n GLN 120 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1t60 s ASP 121 N -2.92 -0.26 0.48 1.08 -1.08 -1.26 -0.54 116.67 112.16 1t60 s ASP 121 Ca 0.43 -0.38 0.17 0.00 -0.52 0.00 0.00 52.55 52.25 1t60 s ASP 121 Cb -0.20 0.53 1.16 0.00 -1.46 0.00 0.00 42.92 42.95 1t60 s ASP 121 CO 0.54 -0.95 2.06 0.58 0.52 0.00 0.00 175.17 177.91 1t60 h VAL 122 N 2.27 1.01 -4.02 1.11 2.07 -1.88 -3.21 116.25 113.60 1t60 h VAL 122 Ca -0.32 -0.42 -0.46 0.00 0.82 0.00 0.00 66.70 66.32 1t60 h VAL 122 Cb 1.26 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1t60 h VAL 122 CO 0.42 0.12 0.37 -0.94 0.02 0.00 0.00 177.57 177.56 1t60 s SER 123 N -6.89 6.76 -0.04 0.57 1.04 -1.26 -4.83 113.70 109.06 1t60 s SER 123 Ca -0.04 1.87 -0.30 0.00 0.48 0.00 0.00 55.95 57.95 1t60 s SER 123 Cb 0.16 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.69 1t60 s SER 123 CO 0.67 -0.48 1.11 -0.63 0.98 0.00 0.00 173.24 174.89 1t60 s ILE 124 N -1.92 4.46 0.18 -1.02 1.01 -1.26 -4.59 121.20 118.05 1t60 s ILE 124 Ca 0.61 1.76 -0.31 0.00 0.00 0.00 0.00 60.65 62.71 1t60 s ILE 124 Cb -0.16 -4.13 -0.10 0.00 0.01 0.00 0.00 42.46 38.09 1t60 s ILE 124 CO 0.20 0.05 1.48 -2.16 0.00 0.00 0.00 174.94 174.51 1t60 s PRO 125 N 1.76 4.26 0.45 2.79 0.04 -1.26 -4.98 135.00 138.06 1t60 s PRO 125 Ca 0.54 2.27 -0.22 0.00 0.04 0.00 0.00 61.00 63.62 1t60 s PRO 125 Cb -0.23 -3.17 -0.08 0.00 0.04 0.00 0.00 34.50 31.06 1t60 s PRO 125 CO 0.23 -0.51 1.08 -1.01 0.04 0.00 0.00 177.00 176.84 1t60 s HIS 126 N 0.80 3.06 0.47 0.56 3.76 -1.26 -4.60 115.29 118.08 1t60 s HIS 126 Ca 0.65 1.59 -0.22 0.00 -0.15 0.00 0.00 55.06 56.94 1t60 s HIS 126 Cb -0.41 -3.18 -0.07 0.00 1.11 0.00 0.00 32.58 30.02 1t60 s HIS 126 CO 0.34 -0.96 1.13 0.00 -0.85 0.00 0.00 174.74 174.40 1t60 s PRO 128 N -2.87 1.73 0.09 0.00 0.02 -1.26 -4.85 135.00 127.86 1t60 s PRO 128 Ca 0.65 1.74 -0.31 0.00 0.02 0.00 0.00 61.00 63.10 1t60 s PRO 128 Cb -0.25 -1.79 -0.11 0.00 0.02 0.00 0.00 34.50 32.37 1t60 s PRO 128 CO 0.30 -2.14 1.86 0.00 -0.33 0.00 0.00 177.00 176.69 1t60 n ALA 129 N -3.22 1.94 -0.11 -1.55 0.00 -1.26 -1.42 120.51 114.89 1t60 n ALA 129 Ca 0.13 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1t60 n ALA 129 Cb 0.51 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.36 1t60 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t60 n GLY 130 N 4.27 0.82 3.29 0.00 0.00 -1.26 -5.05 105.19 107.25 1t60 n GLY 130 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1t60 n GLY 130 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1t60 s TRP 131 N -2.07 1.97 0.05 1.61 0.52 -0.51 -0.45 118.94 120.07 1t60 s TRP 131 Ca 0.00 -0.39 0.06 0.00 0.02 0.00 0.00 56.10 55.79 1t60 s TRP 131 Cb 0.00 -1.16 -0.04 0.00 -1.15 0.00 0.00 33.47 31.12 1t60 s TRP 131 CO 0.00 0.13 -0.12 -0.98 0.02 0.00 0.00 176.95 176.00 1t60 s ARG 132 N -1.32 2.24 0.25 4.98 1.70 0.67 -4.70 118.95 122.77 1t60 s ARG 132 Ca 0.09 -0.92 -0.30 0.00 -0.47 0.00 0.00 55.73 54.14 1t60 s ARG 132 Cb -0.09 -2.33 -0.09 0.00 -0.57 0.00 0.00 34.95 31.87 1t60 s ARG 132 CO 0.02 0.55 1.19 0.45 -1.08 0.00 0.00 175.30 176.43 1t60 s SER 133 N -1.71 7.08 -0.14 -2.89 0.15 -1.26 -0.45 113.70 114.47 1t60 s SER 133 Ca 0.18 2.34 0.05 0.00 0.70 0.00 0.00 55.95 59.22 1t60 s SER 133 Cb -0.11 -2.62 -0.12 0.00 -1.71 0.00 0.00 66.02 61.46 1t60 s SER 133 CO 0.09 -0.32 -0.07 0.18 1.20 0.00 0.00 173.24 174.32 1t60 n LEU 134 N 1.69 1.79 -3.61 3.45 4.77 0.70 -4.90 117.00 120.90 1t60 n LEU 134 Ca 0.02 -0.05 -0.02 0.00 -0.03 0.00 0.00 56.01 55.92 1t60 n LEU 134 Cb 0.44 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1t60 n LEU 134 CO 0.56 0.58 1.01 -1.66 -1.33 0.00 0.00 177.39 176.55 1t60 s TRP 135 N -2.31 -0.10 0.24 -1.77 -2.14 -1.19 -5.01 118.94 106.66 1t60 s TRP 135 Ca -0.15 0.02 0.10 0.00 2.66 0.00 0.00 56.10 58.73 1t60 s TRP 135 Cb 0.05 0.53 -0.05 0.00 -3.10 0.00 0.00 33.47 30.90 1t60 s TRP 135 CO 0.42 -0.26 -0.17 0.96 -2.66 0.00 0.00 176.95 175.24 1t60 s ILE 136 N -2.47 2.09 0.00 0.66 -4.36 -1.26 -0.88 121.20 114.97 1t60 s ILE 136 Ca 0.11 -2.29 0.00 0.00 -0.26 0.00 0.00 60.65 58.21 1t60 s ILE 136 Cb 0.01 -2.15 0.00 0.00 1.25 0.00 0.00 42.46 41.57 1t60 s ILE 136 CO -0.04 -0.49 0.00 0.61 0.24 0.00 0.00 174.94 175.26 1t60 n GLY 137 N -0.46 1.95 3.40 6.27 0.00 -0.81 -4.35 105.19 111.20 1t60 n GLY 137 Ca -0.07 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 1t60 n GLY 137 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t60 s TYR 138 N -1.26 2.38 -0.71 1.61 1.51 0.05 -1.60 117.35 119.32 1t60 s TYR 138 Ca 0.00 -0.36 -0.26 0.00 -1.01 0.00 0.00 57.07 55.44 1t60 s TYR 138 Cb 0.00 -1.33 -0.01 0.00 -0.11 0.00 0.00 41.96 40.51 1t60 s TYR 138 CO 0.00 0.27 1.73 -1.12 -1.11 0.00 0.00 175.55 175.32 1t60 s SER 139 N -1.74 5.51 -0.38 2.29 0.01 -0.51 -2.36 113.70 116.52 1t60 s SER 139 Ca 0.14 -0.11 -0.22 0.00 1.31 0.00 0.00 55.95 57.07 1t60 s SER 139 Cb -0.10 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.60 1t60 s SER 139 CO 0.05 -2.27 0.73 0.12 0.41 0.00 0.00 173.24 172.28 1t60 s PHE 140 N 8.29 3.09 -0.19 2.43 5.36 -0.24 -1.84 117.98 134.89 1t60 s PHE 140 Ca 0.60 0.37 -0.15 0.00 -0.96 0.00 0.00 56.93 56.79 1t60 s PHE 140 Cb -0.10 -3.38 -0.08 0.00 -0.34 0.00 0.00 43.02 39.12 1t60 s PHE 140 CO 0.14 -0.77 -0.19 -0.11 -1.46 0.00 0.00 175.22 172.83 1t60 n LEU 141 N 6.37 1.88 0.00 6.12 7.94 -0.05 -4.53 117.00 134.72 1t60 n LEU 141 Ca 0.01 0.45 -0.11 0.00 -1.11 0.00 0.00 56.01 55.26 1t60 n LEU 141 Cb 0.48 -0.84 -0.00 0.00 0.53 0.00 0.00 43.42 43.59 1t60 n LEU 141 CO 0.53 -0.10 0.31 1.15 -1.11 0.00 0.00 177.39 178.18 1t60 n MET 142 N -4.47 0.83 -3.45 1.96 0.00 -1.10 -0.67 117.12 110.22 1t60 n MET 142 Ca -0.22 -2.31 -0.13 0.00 0.00 0.00 0.00 57.70 55.03 1t60 n MET 142 Cb 0.53 2.51 -0.03 0.00 0.00 0.00 0.00 33.22 36.22 1t60 n MET 142 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 1t60 s HIS 143 N -2.95 -0.55 0.06 3.17 -3.43 0.26 -0.41 115.29 111.43 1t60 s HIS 143 Ca 0.21 0.49 -0.06 0.00 -0.80 0.00 0.00 55.06 54.90 1t60 s HIS 143 Cb -0.03 0.51 -0.01 0.00 -1.43 0.00 0.00 32.58 31.62 1t60 s HIS 143 CO 0.15 -0.79 0.11 0.95 -2.00 0.00 0.00 174.74 173.17 1t60 s THR 144 N -3.16 0.15 0.00 -5.38 -4.23 -0.99 -1.35 115.64 100.68 1t60 s THR 144 Ca -0.02 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1t60 s THR 144 Cb -0.01 -1.16 0.00 0.00 1.34 0.00 0.00 72.50 72.68 1t60 s THR 144 CO -0.08 -0.68 0.00 0.00 -0.54 0.00 0.00 174.62 173.32 1t60 n ALA 145 N 0.37 0.00 -1.68 3.99 0.00 -0.35 -1.39 120.51 121.45 1t60 n ALA 145 Ca -0.17 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.83 1t60 n ALA 145 Cb 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.03 1t60 n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t60 n ALA 146 N -3.00 1.21 -0.76 0.00 0.00 -1.26 -4.54 120.51 112.16 1t60 n ALA 146 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1t60 n ALA 146 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.18 1t60 n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t60 n GLY 147 N 1.68 3.15 0.34 0.00 0.00 -1.26 -1.93 105.19 107.17 1t60 n GLY 147 Ca 0.09 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.04 1t60 n GLY 147 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1t60 n ASP 148 N 2.99 2.76 -4.83 1.61 5.68 -1.26 -5.03 116.55 118.47 1t60 n ASP 148 Ca 0.00 -2.73 -0.32 0.00 -0.50 0.00 0.00 54.79 51.24 1t60 n ASP 148 Cb 0.00 -0.35 -0.03 0.00 -1.14 0.00 0.00 41.12 39.60 1t60 n ASP 148 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1t60 s GLU 149 N -2.28 3.84 0.00 0.11 0.41 -0.81 -4.87 118.70 115.10 1t60 s GLU 149 Ca 0.27 1.05 0.00 0.00 -0.41 0.00 0.00 54.97 55.88 1t60 s GLU 149 Cb 0.22 -2.12 0.00 0.00 -1.78 0.00 0.00 34.13 30.46 1t60 s GLU 149 CO 0.05 -0.37 0.00 0.41 -0.49 0.00 0.00 175.26 174.86 1t60 n GLY 150 N -1.27 -0.65 0.00 -1.39 0.00 -1.26 -1.21 105.19 99.40 1t60 n GLY 150 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1t60 n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t60 n GLY 151 N 0.00 -0.70 3.78 -0.02 0.00 -0.46 -4.76 105.19 103.04 1t60 n GLY 151 Ca 0.00 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.28 1t60 n GLY 151 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t60 s GLY 152 N 0.00 -0.19 0.21 -0.02 0.00 -1.26 -0.58 107.32 105.48 1t60 s GLY 152 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 44.72 44.77 1t60 s GLY 152 CO 0.00 -0.02 0.25 1.20 0.00 0.00 0.00 173.10 174.53 1t60 s GLN 153 N -3.48 3.17 -0.19 2.90 -1.52 0.16 -4.93 119.66 115.76 1t60 s GLN 153 Ca 0.12 -0.84 -0.22 0.00 -1.95 0.00 0.00 55.36 52.46 1t60 s GLN 153 Cb -0.03 -2.75 -0.02 0.00 -0.22 0.00 0.00 33.01 29.99 1t60 s GLN 153 CO 0.04 0.45 0.69 0.45 -0.25 0.00 0.00 175.29 176.66 1t60 s SER 154 N -3.62 6.76 0.55 5.90 0.15 -1.26 -4.90 113.70 117.27 1t60 s SER 154 Ca 0.33 0.93 0.37 0.00 0.70 0.00 0.00 55.95 58.27 1t60 s SER 154 Cb -0.09 -2.38 1.99 0.00 -1.71 0.00 0.00 66.02 63.83 1t60 s SER 154 CO 0.27 -0.31 2.13 -0.07 1.20 0.00 0.00 173.24 176.45 1t60 h LEU 155 N 8.24 0.00 -0.26 3.45 3.38 -1.95 0.15 115.31 128.32 1t60 h LEU 155 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1t60 h LEU 155 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1t60 h LEU 155 CO 0.79 0.00 -0.48 0.55 0.09 0.00 0.00 178.44 179.39 1t60 n VAL 156 N -2.81 0.00 -3.35 1.22 3.14 -1.26 -4.47 118.33 110.80 1t60 n VAL 156 Ca -0.02 -0.07 -0.35 0.00 -2.96 0.00 0.00 64.34 60.94 1t60 n VAL 156 Cb 0.07 0.49 -0.06 0.00 -1.06 0.00 0.00 33.84 33.28 1t60 n VAL 156 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1t60 s SER 157 N -2.78 6.82 0.65 6.55 0.15 0.04 -1.87 113.70 123.25 1t60 s SER 157 Ca 0.16 1.08 0.39 0.00 0.70 0.00 0.00 55.95 58.28 1t60 s SER 157 Cb 0.18 -2.29 2.19 0.00 -1.71 0.00 0.00 66.02 64.39 1t60 s SER 157 CO 0.65 0.08 2.30 -0.65 1.20 0.00 0.00 173.24 176.82 1t60 h PRO 158 N 3.46 0.00 0.00 5.44 0.11 -1.85 -1.31 132.00 137.85 1t60 h PRO 158 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1t60 h PRO 158 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1t60 h PRO 158 CO 0.66 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.23 1t60 h GLY 159 N 0.00 0.00 -1.29 -0.55 0.00 -1.85 -1.33 103.07 98.04 1t60 h GLY 159 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1t60 h GLY 159 CO -0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t60 n SER 160 N -2.56 2.16 -3.80 0.19 3.41 -0.49 -4.63 113.62 107.90 1t60 n SER 160 Ca -0.01 -1.84 -0.29 0.00 -0.26 0.00 0.00 58.87 56.47 1t60 n SER 160 Cb 0.14 -0.18 -0.13 0.00 -0.26 0.00 0.00 64.21 63.78 1t60 n SER 160 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 s LEU 162 N -0.08 4.35 0.12 0.00 1.43 -1.00 -4.78 118.68 118.72 1t60 s LEU 162 Ca 0.19 1.21 -0.18 0.00 -1.03 0.00 0.00 54.13 54.32 1t60 s LEU 162 Cb -0.22 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 42.90 1t60 s LEU 162 CO -0.02 -0.05 1.67 -0.33 0.23 0.00 0.00 176.35 177.84 1t60 h GLU 163 N 6.39 0.45 -4.52 1.70 5.08 -1.88 0.17 114.58 121.97 1t60 h GLU 163 Ca -0.42 -0.08 -0.72 0.00 -1.00 0.00 0.00 59.36 57.14 1t60 h GLU 163 Cb 1.20 -0.08 -0.21 0.00 0.50 0.00 0.00 28.75 30.16 1t60 h GLU 163 CO 0.74 0.46 -0.44 -0.51 -1.00 0.00 0.00 179.01 178.25 1t60 s ASP 164 N -5.72 6.08 0.34 1.42 1.11 -1.26 -4.54 116.67 114.10 1t60 s ASP 164 Ca -0.13 -0.88 -0.28 0.00 0.18 0.00 0.00 52.55 51.43 1t60 s ASP 164 Cb 0.09 -2.15 -0.10 0.00 1.07 0.00 0.00 42.92 41.83 1t60 s ASP 164 CO 0.73 -0.43 1.23 0.12 1.18 0.00 0.00 175.17 177.99 1t60 s PHE 165 N 1.67 3.16 -0.13 4.23 2.19 -1.26 -5.00 117.98 122.84 1t60 s PHE 165 Ca 0.05 1.52 -0.11 0.00 0.33 0.00 0.00 56.93 58.71 1t60 s PHE 165 Cb -0.19 -3.52 0.03 0.00 -1.31 0.00 0.00 43.02 38.03 1t60 s PHE 165 CO 0.10 -1.44 0.33 1.03 1.83 0.00 0.00 175.22 177.07 1t60 s ARG 166 N -1.86 0.38 0.28 10.12 3.00 -1.26 -5.03 118.95 124.57 1t60 s ARG 166 Ca 0.50 0.48 0.02 0.00 0.00 0.00 0.00 55.73 56.73 1t60 s ARG 166 Cb -0.36 0.17 0.39 0.00 0.00 0.00 0.00 34.95 35.15 1t60 s ARG 166 CO 0.47 -0.06 1.72 0.00 0.00 0.00 0.00 175.30 177.43 1t60 h ALA 167 N 5.75 1.09 -2.73 2.13 0.00 -1.99 -3.34 119.26 120.17 1t60 h ALA 167 Ca -0.27 -0.35 -0.60 0.00 0.00 0.00 0.00 54.91 53.69 1t60 h ALA 167 Cb 1.19 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 18.45 1t60 h ALA 167 CO 0.30 0.56 -0.78 0.99 0.00 0.00 0.00 179.25 180.33 1t60 s THR 168 N -4.51 1.59 -2.00 0.00 2.01 -1.26 -3.96 115.64 107.51 1t60 s THR 168 Ca -0.07 -3.42 0.13 0.00 0.31 0.00 0.00 61.69 58.64 1t60 s THR 168 Cb 0.14 -2.06 0.37 0.00 0.01 0.00 0.00 72.50 70.95 1t60 s THR 168 CO 0.79 -1.11 1.38 -0.81 -0.69 0.00 0.00 174.62 174.18 1t60 n PRO 169 N 2.46 0.85 -3.92 4.92 -0.04 -1.26 -4.86 135.00 133.15 1t60 n PRO 169 Ca 0.24 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.62 1t60 n PRO 169 Cb 0.41 -1.24 -0.08 0.00 -0.04 0.00 0.00 33.50 32.55 1t60 n PRO 169 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t60 s PHE 170 N -2.00 0.24 0.12 0.54 -0.71 -1.26 -1.01 117.98 113.91 1t60 s PHE 170 Ca 0.19 -0.69 0.09 0.00 -1.04 0.00 0.00 56.93 55.48 1t60 s PHE 170 Cb 0.09 -0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.72 1t60 s PHE 170 CO 0.15 -0.49 -0.21 -1.50 -1.34 0.00 0.00 175.22 171.83 1t60 s ILE 171 N -3.78 1.83 -0.16 -4.49 2.07 0.00 -4.80 121.20 111.88 1t60 s ILE 171 Ca 0.05 -1.68 -0.06 0.00 -1.41 0.00 0.00 60.65 57.54 1t60 s ILE 171 Cb 0.05 -1.71 -0.04 0.00 0.13 0.00 0.00 42.46 40.90 1t60 s ILE 171 CO -0.10 -0.11 0.04 -0.70 -1.91 0.00 0.00 174.94 172.16 1t60 s GLU 172 N -2.18 3.75 -0.15 3.50 2.12 -1.03 -2.00 118.70 122.71 1t60 s GLU 172 Ca 0.10 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 55.06 1t60 s GLU 172 Cb -0.09 -3.09 -0.01 0.00 0.26 0.00 0.00 34.13 31.20 1t60 s GLU 172 CO 0.05 0.36 -0.14 0.00 -0.54 0.00 0.00 175.26 174.99 1t60 s ASN 174 N 0.71 6.09 0.00 0.00 3.84 0.21 -2.03 114.94 123.76 1t60 s ASN 174 Ca -0.07 -0.29 0.00 0.00 0.21 0.00 0.00 52.86 52.71 1t60 s ASN 174 Cb -0.15 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 37.99 1t60 s ASN 174 CO 0.02 -1.86 0.30 0.61 -2.79 0.00 0.00 177.10 173.38 1t60 n GLY 175 N 5.38 -2.23 0.28 1.21 0.00 -0.93 -1.47 105.19 107.43 1t60 n GLY 175 Ca 0.06 0.48 0.16 0.00 0.00 0.00 0.00 46.02 46.71 1t60 n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t60 h ALA 176 N -1.21 1.07 0.00 4.61 0.00 -1.85 -2.85 119.26 119.03 1t60 h ALA 176 Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1t60 h ALA 176 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1t60 h ALA 176 CO 0.00 0.08 -0.25 -0.09 0.00 0.00 0.00 179.25 178.99 1t60 h ARG 177 N 0.00 0.00 -1.08 0.00 2.43 -1.82 -3.47 114.38 110.43 1t60 h ARG 177 Ca -0.00 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 1t60 h ARG 177 Cb 0.42 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1t60 h ARG 177 CO 0.01 0.25 -0.20 0.41 -1.51 0.00 0.00 179.97 178.93 1t60 n GLY 178 N 1.01 0.10 3.22 2.80 0.00 -0.54 -4.93 105.19 106.85 1t60 n GLY 178 Ca 0.03 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 1t60 n GLY 178 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t60 s THR 179 N -2.39 1.08 0.11 2.61 -4.23 -1.22 -1.94 115.64 109.66 1t60 s THR 179 Ca 0.00 -1.87 0.03 0.00 -1.18 0.00 0.00 61.69 58.67 1t60 s THR 179 Cb 0.00 -1.64 -0.04 0.00 1.34 0.00 0.00 72.50 72.16 1t60 s THR 179 CO 0.00 -0.65 -0.09 0.00 -0.54 0.00 0.00 174.62 173.34 1t60 s HIS 181 N -3.20 -0.12 -0.24 0.00 5.04 0.09 -0.89 115.29 115.97 1t60 s HIS 181 Ca 0.12 -0.15 -0.06 0.00 -1.54 0.00 0.00 55.06 53.42 1t60 s HIS 181 Cb 0.02 0.62 -0.02 0.00 0.04 0.00 0.00 32.58 33.25 1t60 s HIS 181 CO -0.02 -0.74 0.03 0.71 -2.34 0.00 0.00 174.74 172.38 1t60 s TYR 182 N -3.16 3.04 0.15 3.88 1.51 -1.26 -2.47 117.35 119.05 1t60 s TYR 182 Ca 0.12 -0.64 0.05 0.00 -1.01 0.00 0.00 57.07 55.59 1t60 s TYR 182 Cb -0.00 -2.19 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 1t60 s TYR 182 CO 0.01 -0.44 0.08 0.71 -1.11 0.00 0.00 175.55 174.80 1t60 s TYR 183 N 1.56 3.05 0.54 2.71 1.51 -1.26 -5.03 117.35 120.43 1t60 s TYR 183 Ca 0.06 -0.04 0.42 0.00 -1.01 0.00 0.00 57.07 56.50 1t60 s TYR 183 Cb -0.15 -1.49 2.21 0.00 -0.11 0.00 0.00 41.96 42.42 1t60 s TYR 183 CO 0.01 0.52 2.29 0.00 -1.11 0.00 0.00 175.55 177.25 1t60 h ALA 184 N 2.68 1.00 -0.10 3.71 0.00 -2.01 -2.62 119.26 121.92 1t60 h ALA 184 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1t60 h ALA 184 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1t60 h ALA 184 CO 0.62 0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.14 1t60 n ASN 185 N -3.06 1.14 -4.72 0.00 6.94 -1.26 -4.86 115.26 109.43 1t60 n ASN 185 Ca -0.02 -1.58 -0.42 0.00 -0.02 0.00 0.00 54.58 52.54 1t60 n ASN 185 Cb 0.12 -0.06 -0.03 0.00 -2.36 0.00 0.00 39.78 37.45 1t60 n ASN 185 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1t60 s LYS 186 N -1.88 4.38 -0.00 -3.83 1.02 -0.99 -4.31 119.74 114.12 1t60 s LYS 186 Ca 0.33 1.93 0.04 0.00 0.02 0.00 0.00 55.97 58.28 1t60 s LYS 186 Cb 0.17 -3.29 -0.01 0.00 -0.52 0.00 0.00 37.83 34.18 1t60 s LYS 186 CO 0.26 -0.34 -0.12 0.71 -0.92 0.00 0.00 175.35 174.95 1t60 s TYR 187 N 1.02 1.04 -0.02 3.18 4.12 -0.49 -5.01 117.35 121.20 1t60 s TYR 187 Ca 0.61 -0.21 0.05 0.00 0.02 0.00 0.00 57.07 57.54 1t60 s TYR 187 Cb -0.33 -0.66 -0.03 0.00 -1.52 0.00 0.00 41.96 39.42 1t60 s TYR 187 CO 0.30 -0.01 -0.15 -1.54 0.02 0.00 0.00 175.55 174.17 1t60 s SER 188 N -0.36 4.00 -0.05 2.29 1.04 -1.25 -2.36 113.70 117.01 1t60 s SER 188 Ca 0.04 -0.26 0.06 0.00 0.48 0.00 0.00 55.95 56.27 1t60 s SER 188 Cb -0.05 -0.79 -0.01 0.00 0.10 0.00 0.00 66.02 65.27 1t60 s SER 188 CO -0.00 0.31 -0.25 -0.36 0.98 0.00 0.00 173.24 173.92 1t60 s PHE 189 N -0.82 2.38 0.05 5.02 0.40 0.45 -4.97 117.98 120.49 1t60 s PHE 189 Ca 0.13 -0.69 0.04 0.00 -0.60 0.00 0.00 56.93 55.81 1t60 s PHE 189 Cb -0.11 -1.56 -0.02 0.00 0.51 0.00 0.00 43.02 41.84 1t60 s PHE 189 CO 0.03 -0.20 -0.12 -1.58 0.70 0.00 0.00 175.22 174.05 1t60 s TRP 190 N -0.19 1.00 0.38 0.36 0.52 -1.26 -0.87 118.94 118.88 1t60 s TRP 190 Ca -0.02 -0.41 -0.27 0.00 0.02 0.00 0.00 56.10 55.42 1t60 s TRP 190 Cb -0.13 -0.59 -0.09 0.00 -1.15 0.00 0.00 33.47 31.51 1t60 s TRP 190 CO 0.03 0.00 1.24 -0.51 0.02 0.00 0.00 176.95 177.74 1t60 s LEU 191 N -1.37 4.29 0.42 2.99 1.43 -0.77 -4.88 118.68 120.79 1t60 s LEU 191 Ca -0.03 2.53 0.01 0.00 -1.03 0.00 0.00 54.13 55.62 1t60 s LEU 191 Cb -0.09 -3.86 -0.01 0.00 0.03 0.00 0.00 46.19 42.27 1t60 s LEU 191 CO 0.01 -0.66 0.63 0.42 0.23 0.00 0.00 176.35 176.98 1t60 s THR 192 N -1.27 4.17 0.06 5.49 -4.23 -1.26 -0.33 115.64 118.27 1t60 s THR 192 Ca 0.54 -0.55 -0.20 0.00 -1.18 0.00 0.00 61.69 60.30 1t60 s THR 192 Cb -0.36 -3.53 -0.07 0.00 1.34 0.00 0.00 72.50 69.89 1t60 s THR 192 CO 0.46 -0.35 0.58 0.42 -0.54 0.00 0.00 174.62 175.19 1t60 s THR 193 N -2.48 4.75 -0.16 3.99 -4.23 -0.21 -4.06 115.64 113.25 1t60 s THR 193 Ca 0.47 1.23 0.01 0.00 -1.18 0.00 0.00 61.69 62.21 1t60 s THR 193 Cb -0.10 -3.91 0.00 0.00 1.34 0.00 0.00 72.50 69.84 1t60 s THR 193 CO 0.37 0.54 -0.17 -0.63 -0.54 0.00 0.00 174.62 174.19 1t60 s ILE 194 N -0.99 2.48 0.12 2.99 1.01 0.29 -4.89 121.20 122.22 1t60 s ILE 194 Ca 0.29 -0.83 -0.19 0.00 0.00 0.00 0.00 60.65 59.92 1t60 s ILE 194 Cb -0.19 -2.04 -0.06 0.00 0.01 0.00 0.00 42.46 40.17 1t60 s ILE 194 CO 0.19 0.52 1.76 -0.65 0.00 0.00 0.00 174.94 176.76 1t60 h PRO 195 N 7.42 0.29 -6.80 2.79 0.11 -1.97 -3.44 132.00 130.40 1t60 h PRO 195 Ca -0.34 -0.02 -0.56 0.00 0.11 0.00 0.00 66.00 65.19 1t60 h PRO 195 Cb 1.18 -0.06 0.18 0.00 0.11 0.00 0.00 31.00 32.41 1t60 h PRO 195 CO 0.57 0.22 -0.19 0.39 -0.21 0.00 0.00 178.00 178.78 1t60 n GLU 196 N -4.92 0.33 0.11 1.05 4.71 -1.26 -4.92 120.64 115.74 1t60 n GLU 196 Ca -0.03 0.16 -0.03 0.00 -0.01 0.00 0.00 57.16 57.25 1t60 n GLU 196 Cb 0.04 -2.00 0.16 0.00 -1.01 0.00 0.00 31.44 28.63 1t60 n GLU 196 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 1t60 h GLN 197 N -0.43 0.13 0.00 3.49 5.75 -2.01 -3.44 115.11 118.61 1t60 h GLN 197 Ca -0.46 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 57.95 1t60 h GLN 197 Cb 1.34 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.90 1t60 h GLN 197 CO 0.44 0.68 0.00 0.45 -2.65 0.00 0.00 178.83 177.74 1t60 n SER 198 N -3.87 0.00 -3.95 -0.69 2.88 -1.26 -5.10 113.62 101.62 1t60 n SER 198 Ca -0.02 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.22 1t60 n SER 198 Cb 0.59 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.89 1t60 n SER 198 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1t60 s PHE 199 N -1.00 2.25 0.06 0.66 5.36 -1.26 -5.12 117.98 118.93 1t60 s PHE 199 Ca 0.00 -1.54 -0.18 0.00 -0.96 0.00 0.00 56.93 54.25 1t60 s PHE 199 Cb 0.00 -1.55 -0.06 0.00 -0.34 0.00 0.00 43.02 41.07 1t60 s PHE 199 CO 0.00 -0.73 0.53 -1.14 -1.46 0.00 0.00 175.22 172.42 1t60 s GLN 200 N 1.45 4.12 0.00 10.12 0.74 -1.26 -4.87 119.66 129.95 1t60 s GLN 200 Ca -0.02 0.64 0.00 0.00 0.05 0.00 0.00 55.36 56.03 1t60 s GLN 200 Cb -0.17 -3.22 0.00 0.00 1.10 0.00 0.00 33.01 30.72 1t60 s GLN 200 CO -0.07 0.65 0.00 0.41 -0.55 0.00 0.00 175.29 175.72 1t60 n GLY 201 N 1.70 0.72 3.22 2.59 0.00 -1.26 -4.91 105.19 107.24 1t60 n GLY 201 Ca -0.11 -1.88 -0.59 0.00 0.00 0.00 0.00 46.02 43.43 1t60 n GLY 201 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1t60 n THR 202 N -0.45 0.00 -1.71 2.61 -1.04 -1.26 -4.81 114.28 107.61 1t60 n THR 202 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 1t60 n THR 202 Cb 0.00 -0.47 0.03 0.00 -1.82 0.00 0.00 70.33 68.07 1t60 n THR 202 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1t60 n PRO 203 N 5.64 1.76 -3.45 -2.82 -0.02 -1.26 -4.96 135.00 129.89 1t60 n PRO 203 Ca 0.42 0.64 -0.43 0.00 -2.02 0.00 0.00 63.50 62.10 1t60 n PRO 203 Cb -0.04 -2.46 -0.07 0.00 -0.02 0.00 0.00 33.50 30.90 1t60 n PRO 203 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1t60 s SER 204 N -0.75 5.94 0.38 2.55 0.15 -1.26 -5.06 113.70 115.65 1t60 s SER 204 Ca 0.67 -1.67 -0.26 0.00 0.70 0.00 0.00 55.95 55.40 1t60 s SER 204 Cb -0.46 -2.11 -0.12 0.00 -1.71 0.00 0.00 66.02 61.63 1t60 s SER 204 CO 0.53 -0.71 1.06 0.00 1.20 0.00 0.00 173.24 175.33 1t60 n ALA 205 N 5.08 0.30 -3.48 5.45 0.00 -1.26 -5.01 120.51 121.59 1t60 n ALA 205 Ca -0.11 0.29 -0.11 0.00 0.00 0.00 0.00 53.44 53.50 1t60 n ALA 205 Cb 0.42 -2.10 -0.02 0.00 0.00 0.00 0.00 19.45 17.75 1t60 n ALA 205 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1t60 s ASP 206 N -0.63 -0.52 -0.09 0.00 3.68 -1.26 -5.15 116.67 112.69 1t60 s ASP 206 Ca 0.61 -0.08 0.02 0.00 2.13 0.00 0.00 52.55 55.23 1t60 s ASP 206 Cb -0.59 0.61 0.01 0.00 -1.45 0.00 0.00 42.92 41.51 1t60 s ASP 206 CO 0.58 -1.01 -0.16 -0.89 0.13 0.00 0.00 175.17 173.82 1t60 s THR 207 N -3.76 1.49 0.02 1.71 2.01 -1.26 -5.14 115.64 110.71 1t60 s THR 207 Ca 0.02 -0.66 0.08 0.00 0.31 0.00 0.00 61.69 61.44 1t60 s THR 207 Cb -0.02 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 1t60 s THR 207 CO -0.10 0.44 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.27 1t60 s LEU 208 N 0.74 2.28 0.43 4.42 1.43 -1.26 -5.12 118.68 121.59 1t60 s LEU 208 Ca -0.12 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.54 1t60 s LEU 208 Cb -0.16 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 1t60 s LEU 208 CO 0.03 0.28 0.02 -0.54 0.23 0.00 0.00 176.35 176.37 1t60 s LYS 209 N -1.06 1.99 0.40 1.70 1.02 -1.26 -4.91 119.74 117.62 1t60 s LYS 209 Ca 0.12 -2.18 -0.23 0.00 0.02 0.00 0.00 55.97 53.70 1t60 s LYS 209 Cb -0.10 -1.45 -0.14 0.00 -0.52 0.00 0.00 37.83 35.62 1t60 s LYS 209 CO 0.02 -0.19 0.43 0.00 -0.92 0.00 0.00 175.35 174.69 1t60 n ALA 210 N -1.02 -1.97 -0.84 5.17 0.00 -1.26 -2.18 120.51 118.41 1t60 n ALA 210 Ca -0.09 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1t60 n ALA 210 Cb 0.67 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1t60 n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t60 n GLY 211 N 1.94 0.92 0.00 0.00 0.00 -1.26 -4.73 105.19 102.06 1t60 n GLY 211 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1t60 n GLY 211 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1t60 n LEU 212 N 0.00 0.00 -0.07 0.99 -0.00 -0.93 -4.94 117.00 112.05 1t60 n LEU 212 Ca 0.00 -0.03 -0.06 0.00 -0.00 0.00 0.00 56.01 55.92 1t60 n LEU 212 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 1t60 n LEU 212 CO 0.00 0.08 -0.14 0.40 -0.00 0.00 0.00 177.39 177.73 1t60 h ILE 213 N 1.36 0.35 -0.81 1.96 2.04 -1.84 -3.37 117.51 117.20 1t60 h ILE 213 Ca 0.00 -1.33 0.23 0.00 1.00 0.00 0.00 64.86 64.77 1t60 h ILE 213 Cb 0.59 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1t60 h ILE 213 CO 0.00 0.12 0.61 0.03 0.00 0.00 0.00 178.15 178.91 1t60 h ARG 214 N -1.00 0.00 0.00 2.37 3.08 -1.92 0.61 114.38 117.52 1t60 h ARG 214 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1t60 h ARG 214 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1t60 h ARG 214 CO -0.03 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.12 1t60 n THR 215 N -4.18 0.37 0.84 2.04 -2.24 -1.26 -2.43 114.28 107.43 1t60 n THR 215 Ca 0.17 0.07 0.09 0.00 -2.27 0.00 0.00 64.05 62.11 1t60 n THR 215 Cb 0.91 -0.68 0.01 0.00 -2.10 0.00 0.00 70.33 68.46 1t60 n THR 215 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1t60 n HIS 216 N -1.56 0.00 -4.14 4.78 -0.00 0.21 -4.73 115.22 109.78 1t60 n HIS 216 Ca 0.06 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.43 1t60 n HIS 216 Cb 0.29 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.16 1t60 n HIS 216 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1t60 s ILE 217 N -2.09 4.26 0.35 3.57 1.01 -1.02 -1.04 121.20 126.24 1t60 s ILE 217 Ca 0.17 -0.22 -0.27 0.00 0.00 0.00 0.00 60.65 60.34 1t60 s ILE 217 Cb 0.15 -2.91 -0.12 0.00 0.01 0.00 0.00 42.46 39.59 1t60 s ILE 217 CO 0.45 0.45 1.04 -0.24 0.00 0.00 0.00 174.94 176.65 1t60 n SER 218 N 3.79 1.47 -4.95 3.58 2.88 0.55 -4.61 113.62 116.33 1t60 n SER 218 Ca -0.17 1.13 -0.24 0.00 -1.33 0.00 0.00 58.87 58.25 1t60 n SER 218 Cb 0.52 -1.34 -0.03 0.00 -0.75 0.00 0.00 64.21 62.62 1t60 n SER 218 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1t60 s ARG 219 N -1.77 3.44 0.26 -1.46 1.81 -1.21 -1.43 118.95 118.59 1t60 s ARG 219 Ca 0.60 -0.65 -0.02 0.00 -1.72 0.00 0.00 55.73 53.94 1t60 s ARG 219 Cb -0.63 -2.94 -0.02 0.00 -0.45 0.00 0.00 34.95 30.91 1t60 s ARG 219 CO 0.59 0.49 0.29 0.00 -0.68 0.00 0.00 175.30 175.99 1t60 s GLN 221 N -3.77 0.49 -0.24 0.00 0.74 -0.82 -1.93 119.66 114.14 1t60 s GLN 221 Ca 0.35 0.73 -0.12 0.00 0.05 0.00 0.00 55.36 56.37 1t60 s GLN 221 Cb 0.03 0.15 -0.05 0.00 1.10 0.00 0.00 33.01 34.24 1t60 s GLN 221 CO 0.16 -0.10 0.23 0.08 -0.55 0.00 0.00 175.29 175.10 1t60 s VAL 222 N 0.77 5.31 0.17 1.34 1.01 -0.06 -1.48 120.40 127.46 1t60 s VAL 222 Ca -0.04 0.30 0.11 0.00 0.00 0.00 0.00 61.98 62.35 1t60 s VAL 222 Cb -0.05 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1t60 s VAL 222 CO -0.06 0.30 -0.24 0.00 0.00 0.00 0.00 175.10 175.10 1t60 s MET 224 N -2.54 1.82 0.34 0.00 1.75 0.40 -0.96 119.30 120.10 1t60 s MET 224 Ca 0.18 -0.69 -0.28 0.00 -1.25 0.00 0.00 55.69 53.65 1t60 s MET 224 Cb -0.08 -1.64 -0.10 0.00 2.84 0.00 0.00 34.83 35.85 1t60 s MET 224 CO 0.08 0.33 1.30 0.21 -0.65 0.00 0.00 175.02 176.29 1t60 s LYS 225 N -0.18 4.33 0.00 4.11 2.20 -0.90 -0.24 119.74 129.06 1t60 s LYS 225 Ca 0.01 2.19 0.30 0.00 -0.36 0.00 0.00 55.97 58.11 1t60 s LYS 225 Cb -0.10 -3.04 1.54 0.00 -1.51 0.00 0.00 37.83 34.71 1t60 s LYS 225 CO 0.01 -0.20 2.02 0.09 -0.36 0.00 0.00 175.35 176.91