#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t60 s LEU 6 N 0.00 3.99 -0.15 2.98 1.43 -1.26 -0.04 118.68 125.63 1t60 s LEU 6 Ca 0.00 -0.51 -0.21 0.00 -1.03 0.00 0.00 54.13 52.38 1t60 s LEU 6 Cb 0.00 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1t60 s LEU 6 CO 0.00 -0.17 0.63 -0.22 0.23 0.00 0.00 176.35 176.81 1t60 s LEU 7 N 1.60 4.21 -0.11 1.79 2.96 0.13 -4.82 118.68 124.44 1t60 s LEU 7 Ca 0.04 0.94 -0.00 0.00 -0.22 0.00 0.00 54.13 54.89 1t60 s LEU 7 Cb -0.17 -2.92 -0.02 0.00 0.50 0.00 0.00 46.19 43.58 1t60 s LEU 7 CO 0.05 -0.19 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.10 1t60 s VAL 8 N 1.39 3.30 -0.02 1.68 1.01 -1.26 -0.07 120.40 126.43 1t60 s VAL 8 Ca 0.31 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1t60 s VAL 8 Cb -0.16 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 1t60 s VAL 8 CO 0.12 0.54 -0.16 -0.54 0.00 0.00 0.00 175.10 175.06 1t60 s LYS 9 N 0.03 1.36 -0.15 2.72 1.02 -0.70 -4.89 119.74 119.11 1t60 s LYS 9 Ca -0.03 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.38 1t60 s LYS 9 Cb -0.14 -1.30 -0.00 0.00 -0.52 0.00 0.00 37.83 35.87 1t60 s LYS 9 CO 0.04 0.34 -0.15 -1.01 -0.92 0.00 0.00 175.35 173.65 1t60 s HIS 10 N -0.34 2.78 0.22 3.18 3.76 -1.26 -1.39 115.29 122.24 1t60 s HIS 10 Ca 0.05 -0.99 0.11 0.00 -0.15 0.00 0.00 55.06 54.09 1t60 s HIS 10 Cb -0.07 -1.88 0.31 0.00 1.11 0.00 0.00 32.58 32.05 1t60 s HIS 10 CO -0.00 -0.44 1.58 0.66 -0.85 0.00 0.00 174.74 175.68 1t60 h SER 11 N 7.24 0.00 -1.02 1.40 4.64 -1.21 -3.47 113.55 121.13 1t60 h SER 11 Ca -0.32 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.72 1t60 h SER 11 Cb 1.19 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.20 1t60 h SER 11 CO 0.57 0.63 -0.28 0.00 -0.87 0.00 0.00 176.83 176.87 1t60 n GLN 12 N -3.67 -1.00 -4.17 4.77 6.02 -1.26 -4.96 117.38 113.11 1t60 n GLN 12 Ca -0.01 0.90 -0.14 0.00 -0.01 0.00 0.00 57.00 57.74 1t60 n GLN 12 Cb 0.65 -5.04 -0.08 0.00 1.02 0.00 0.00 30.24 26.80 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 -2.56 0.00 -1.49 5.09 -4.23 -1.26 -3.71 115.64 107.47 1t60 s THR 13 Ca 0.00 -1.83 0.04 0.00 -1.18 0.00 0.00 61.69 58.72 1t60 s THR 13 Cb 0.00 -2.48 0.16 0.00 1.34 0.00 0.00 72.50 71.52 1t60 s THR 13 CO 0.00 0.00 0.97 -0.90 -0.54 0.00 0.00 174.62 174.15 1t60 n ASP 14 N -0.80 1.36 -4.53 3.99 5.68 -1.26 -1.90 116.55 119.09 1t60 n ASP 14 Ca 0.03 -2.09 -0.32 0.00 -0.50 0.00 0.00 54.79 51.91 1t60 n ASP 14 Cb 0.64 -0.30 -0.12 0.00 -1.14 0.00 0.00 41.12 40.21 1t60 n ASP 14 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1t60 s GLN 15 N -1.61 2.42 0.18 0.11 -1.52 -1.26 -4.88 119.66 113.10 1t60 s GLN 15 Ca 0.11 -0.78 -0.31 0.00 -1.95 0.00 0.00 55.36 52.43 1t60 s GLN 15 Cb 0.07 -2.40 -0.09 0.00 -0.22 0.00 0.00 33.01 30.37 1t60 s GLN 15 CO 0.06 0.59 1.43 -1.21 -0.25 0.00 0.00 175.29 175.90 1t60 s GLU 16 N -1.28 4.30 0.62 2.91 2.02 -1.26 -4.47 118.70 121.54 1t60 s GLU 16 Ca 0.15 2.20 -0.16 0.00 0.02 0.00 0.00 54.97 57.18 1t60 s GLU 16 Cb -0.11 -3.18 -0.02 0.00 0.10 0.00 0.00 34.13 30.92 1t60 s GLU 16 CO 0.05 -0.43 1.09 -1.25 0.02 0.00 0.00 175.26 174.74 1t60 s PRO 17 N 0.47 3.05 -0.00 0.39 0.04 -1.26 -5.01 135.00 132.68 1t60 s PRO 17 Ca 0.63 1.32 -0.20 0.00 0.04 0.00 0.00 61.00 62.79 1t60 s PRO 17 Cb -0.40 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 1t60 s PRO 17 CO 0.36 -1.04 0.58 1.41 0.04 0.00 0.00 177.00 178.34 1t60 s MET 18 N -4.04 4.29 0.29 4.56 1.75 -1.26 -4.72 119.30 120.16 1t60 s MET 18 Ca 0.66 0.71 -0.29 0.00 -1.25 0.00 0.00 55.69 55.52 1t60 s MET 18 Cb -0.19 -3.33 -0.10 0.00 2.84 0.00 0.00 34.83 34.06 1t60 s MET 18 CO 0.39 0.40 1.12 0.00 -0.65 0.00 0.00 175.02 176.27 1t60 n PRO 20 N 1.10 0.43 -1.72 0.00 -0.02 -1.26 -4.82 135.00 128.71 1t60 n PRO 20 Ca -0.01 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 1t60 n PRO 20 Cb 0.45 -1.81 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 1t60 n PRO 20 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1t60 n VAL 21 N -2.07 0.24 -0.57 -1.45 0.31 -1.26 -1.98 118.33 111.54 1t60 n VAL 21 Ca 0.11 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1t60 n VAL 21 Cb 0.49 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 1t60 n VAL 21 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1t60 n GLY 22 N 3.52 0.74 3.10 2.92 0.00 -1.26 -5.04 105.19 109.16 1t60 n GLY 22 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.43 2.21 0.28 1.61 1.00 -0.84 -4.92 119.30 118.21 1t60 s MET 23 Ca 0.00 -1.40 -0.30 0.00 0.00 0.00 0.00 55.69 53.99 1t60 s MET 23 Cb 0.00 -3.04 -0.12 0.00 0.00 0.00 0.00 34.83 31.68 1t60 s MET 23 CO 0.00 -0.64 1.63 -0.80 0.00 0.00 0.00 175.02 175.21 1t60 s ASN 24 N 1.16 6.35 -0.26 3.03 0.01 -1.23 -4.60 114.94 119.39 1t60 s ASN 24 Ca -0.05 2.96 -0.25 0.00 -0.71 0.00 0.00 52.86 54.81 1t60 s ASN 24 Cb -0.20 -2.63 -0.00 0.00 0.41 0.00 0.00 41.25 38.83 1t60 s ASN 24 CO -0.04 -0.94 0.86 -0.75 -1.51 0.00 0.00 177.10 174.72 1t60 s LYS 25 N -0.18 4.13 0.09 -0.60 2.20 -1.26 0.28 119.74 124.40 1t60 s LYS 25 Ca 0.66 0.91 0.04 0.00 -0.36 0.00 0.00 55.97 57.22 1t60 s LYS 25 Cb -0.49 -3.67 -0.23 0.00 -1.51 0.00 0.00 37.83 31.93 1t60 s LYS 25 CO 0.45 -0.60 1.18 -0.07 -0.36 0.00 0.00 175.35 175.95 1t60 h LEU 26 N 9.35 0.11 0.00 5.43 3.38 -1.02 -3.48 115.31 129.08 1t60 h LEU 26 Ca -0.23 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1t60 h LEU 26 Cb 1.09 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1t60 h LEU 26 CO 0.90 1.10 0.00 -2.67 0.09 0.00 0.00 178.44 177.86 1t60 n TRP 27 N -3.37 0.00 -4.46 1.13 2.14 -1.22 -5.02 117.44 106.64 1t60 n TRP 27 Ca -0.04 0.00 -0.22 0.00 2.07 0.00 0.00 57.50 59.31 1t60 n TRP 27 Cb 0.97 0.00 -0.11 0.00 -0.81 0.00 0.00 31.31 31.37 1t60 n TRP 27 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 1t60 s SER 28 N 0.00 2.53 0.00 -0.67 1.04 -1.26 -0.90 113.70 114.43 1t60 s SER 28 Ca 0.00 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.09 1t60 s SER 28 Cb 0.00 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1t60 s SER 28 CO 0.00 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1t60 n GLY 29 N -0.68 1.33 3.53 7.32 0.00 -0.17 -4.33 105.19 112.17 1t60 n GLY 29 Ca -0.03 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.88 2.78 -0.63 1.61 1.51 0.74 -1.38 117.35 121.10 1t60 s TYR 30 Ca 0.00 -0.10 -0.27 0.00 -1.01 0.00 0.00 57.07 55.69 1t60 s TYR 30 Cb 0.00 -1.61 -0.01 0.00 -0.11 0.00 0.00 41.96 40.23 1t60 s TYR 30 CO 0.00 0.28 1.75 -1.12 -1.11 0.00 0.00 175.55 175.35 1t60 s SER 31 N -1.07 5.44 -0.21 2.29 0.01 -0.23 -1.68 113.70 118.25 1t60 s SER 31 Ca 0.14 0.20 -0.20 0.00 1.31 0.00 0.00 55.95 57.39 1t60 s SER 31 Cb -0.11 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 1t60 s SER 31 CO 0.04 -2.27 0.62 -0.22 0.41 0.00 0.00 173.24 171.81 1t60 s LEU 32 N 8.45 4.13 -0.17 2.44 2.96 0.66 -1.29 118.68 135.86 1t60 s LEU 32 Ca 0.61 0.80 -0.13 0.00 -0.22 0.00 0.00 54.13 55.19 1t60 s LEU 32 Cb -0.12 -2.87 -0.07 0.00 0.50 0.00 0.00 46.19 43.64 1t60 s LEU 32 CO 0.20 -0.28 -0.18 -0.11 -1.32 0.00 0.00 176.35 174.66 1t60 n LEU 33 N 5.12 1.86 -3.58 -0.68 7.94 -0.34 -4.62 117.00 122.70 1t60 n LEU 33 Ca -0.02 0.51 -0.09 0.00 -1.11 0.00 0.00 56.01 55.31 1t60 n LEU 33 Cb 0.50 -0.85 -0.02 0.00 0.53 0.00 0.00 43.42 43.58 1t60 n LEU 33 CO 0.44 -0.24 0.56 -0.72 -1.11 0.00 0.00 177.39 176.31 1t60 s TYR 34 N -2.44 -0.35 0.16 1.96 1.13 -1.06 -1.48 117.35 115.28 1t60 s TYR 34 Ca -0.22 0.11 0.08 0.00 -1.41 0.00 0.00 57.07 55.62 1t60 s TYR 34 Cb 0.04 0.59 -0.04 0.00 -1.10 0.00 0.00 41.96 41.45 1t60 s TYR 34 CO 0.34 -0.81 -0.04 -0.06 -2.51 0.00 0.00 175.55 172.46 1t60 s PHE 35 N -3.50 2.77 -0.20 -3.49 0.08 -0.19 -0.73 117.98 112.72 1t60 s PHE 35 Ca 0.06 -0.16 0.00 0.00 0.12 0.00 0.00 56.93 56.95 1t60 s PHE 35 Cb -0.02 -1.36 0.05 0.00 -0.57 0.00 0.00 43.02 41.12 1t60 s PHE 35 CO -0.06 0.50 -0.07 -1.21 -0.10 0.00 0.00 175.22 174.29 1t60 s GLU 36 N -2.78 1.66 -0.11 0.44 2.02 -0.66 -0.24 118.70 119.03 1t60 s GLU 36 Ca 0.26 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.50 1t60 s GLU 36 Cb -0.09 -2.34 0.01 0.00 0.10 0.00 0.00 34.13 31.80 1t60 s GLU 36 CO 0.17 -0.49 -0.20 0.20 0.02 0.00 0.00 175.26 174.96 1t60 s GLY 37 N 1.49 1.20 -1.48 -1.39 0.00 -1.01 -1.96 107.32 104.16 1t60 s GLY 37 Ca -0.02 -0.88 -0.07 0.00 0.00 0.00 0.00 44.72 43.75 1t60 s GLY 37 CO -0.07 -0.04 0.71 -1.06 0.00 0.00 0.00 173.10 172.63 1t60 n GLN 38 N 3.89 -5.17 -3.88 2.90 1.13 -1.26 -1.89 117.38 113.10 1t60 n GLN 38 Ca -0.20 0.80 -0.30 0.00 -1.94 0.00 0.00 57.00 55.36 1t60 n GLN 38 Cb 0.52 -5.67 0.02 0.00 0.11 0.00 0.00 30.24 25.22 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 -4.19 -5.23 -3.85 -1.09 4.71 -1.26 -4.97 120.64 104.76 1t60 n GLU 39 Ca -0.06 0.58 -0.26 0.00 -0.01 0.00 0.00 57.16 57.40 1t60 n GLU 39 Cb 0.59 -5.46 -0.17 0.00 -1.01 0.00 0.00 31.44 25.39 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 -6.59 1.20 0.38 3.49 2.47 -0.79 -4.93 119.74 114.98 1t60 s LYS 40 Ca 0.65 -0.27 -0.25 0.00 -1.56 0.00 0.00 55.97 54.53 1t60 s LYS 40 Cb -0.33 -1.64 -0.09 0.00 -1.46 0.00 0.00 37.83 34.32 1t60 s LYS 40 CO 0.80 -0.37 1.12 0.00 0.16 0.00 0.00 175.35 177.06 1t60 s ALA 41 N 1.76 3.17 -0.18 3.13 0.00 -1.26 -2.41 121.76 125.97 1t60 s ALA 41 Ca 0.03 0.87 -0.03 0.00 0.00 0.00 0.00 51.96 52.83 1t60 s ALA 41 Cb -0.14 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 19.70 1t60 s ALA 41 CO -0.07 -0.37 0.03 -1.58 0.00 0.00 0.00 175.76 173.77 1t60 s HIS 42 N -1.45 1.02 0.37 0.00 2.46 0.67 -4.97 115.29 113.37 1t60 s HIS 42 Ca 0.55 -0.81 -0.02 0.00 0.47 0.00 0.00 55.06 55.26 1t60 s HIS 42 Cb -0.28 -1.02 -0.04 0.00 -0.13 0.00 0.00 32.58 31.12 1t60 s HIS 42 CO 0.35 -0.59 0.60 -0.80 -2.47 0.00 0.00 174.74 171.83 1t60 s ASN 43 N 1.86 6.31 -0.07 9.88 0.01 -1.26 -1.02 114.94 130.65 1t60 s ASN 43 Ca -0.00 0.59 0.04 0.00 -0.71 0.00 0.00 52.86 52.78 1t60 s ASN 43 Cb -0.17 -2.09 -0.02 0.00 0.41 0.00 0.00 41.25 39.38 1t60 s ASN 43 CO -0.08 -0.34 -0.19 -1.10 -1.51 0.00 0.00 177.10 173.89 1t60 s GLN 44 N -4.29 2.69 -0.10 -0.60 -1.52 -0.55 -4.97 119.66 110.31 1t60 s GLN 44 Ca 0.42 -0.78 -0.29 0.00 -1.95 0.00 0.00 55.36 52.75 1t60 s GLN 44 Cb -0.10 -2.33 -0.04 0.00 -0.22 0.00 0.00 33.01 30.32 1t60 s GLN 44 CO 0.37 0.44 1.49 0.34 -0.25 0.00 0.00 175.29 177.68 1t60 s ASP 45 N -0.29 6.78 0.00 5.90 3.68 -1.26 -4.81 116.67 126.68 1t60 s ASP 45 Ca 0.01 2.00 0.00 0.00 2.13 0.00 0.00 52.55 56.70 1t60 s ASP 45 Cb -0.13 -2.54 0.02 0.00 -1.45 0.00 0.00 42.92 38.83 1t60 s ASP 45 CO 0.03 -0.86 1.01 0.18 0.13 0.00 0.00 175.17 175.66 1t60 n LEU 46 N 6.92 0.00 -0.44 -1.34 4.77 -1.26 -0.72 117.00 124.93 1t60 n LEU 46 Ca 0.16 0.49 0.11 0.00 -0.03 0.00 0.00 56.01 56.75 1t60 n LEU 46 Cb 0.44 -0.49 0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1t60 n LEU 46 CO 0.60 -0.49 0.35 0.61 -1.33 0.00 0.00 177.39 177.13 1t60 n GLY 47 N -1.44 -0.11 3.75 -0.72 0.00 -1.26 -4.32 105.19 101.08 1t60 n GLY 47 Ca 0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.50 3.67 0.60 0.99 1.43 0.10 -4.36 118.68 118.61 1t60 s LEU 48 Ca 0.19 -0.11 0.30 0.00 -1.03 0.00 0.00 54.13 53.48 1t60 s LEU 48 Cb 0.18 -2.35 1.77 0.00 0.03 0.00 0.00 46.19 45.82 1t60 s LEU 48 CO 0.58 0.15 2.16 0.00 0.23 0.00 0.00 176.35 179.47 1t60 h ALA 49 N 3.12 1.64 0.00 4.21 0.00 -1.88 -1.64 119.26 124.71 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 1.17 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1t60 h ALA 49 CO 0.63 -0.18 -0.01 0.78 0.00 0.00 0.00 179.25 180.47 1t60 h GLY 50 N 0.00 0.00 0.80 0.00 0.00 -1.95 -0.50 103.07 101.41 1t60 h GLY 50 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 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 -3.41 0.33 -4.08 0.19 3.41 -0.62 -4.50 113.62 104.95 1t60 n SER 51 Ca -0.03 -0.92 -0.34 0.00 -0.26 0.00 0.00 58.87 57.32 1t60 n SER 51 Cb 0.09 -0.04 -0.12 0.00 -0.26 0.00 0.00 64.21 63.87 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 0.79 4.12 0.22 0.00 2.96 -0.68 -4.82 118.68 121.28 1t60 s LEU 53 Ca 0.11 0.38 -0.08 0.00 -0.22 0.00 0.00 54.13 54.32 1t60 s LEU 53 Cb -0.22 -2.41 0.26 0.00 0.50 0.00 0.00 46.19 44.33 1t60 s LEU 53 CO -0.05 -0.06 1.83 0.00 -1.32 0.00 0.00 176.35 176.75 1t60 h ALA 54 N 7.55 0.99 -3.25 5.97 0.00 -1.87 0.21 119.26 128.86 1t60 h ALA 54 Ca -0.36 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.90 1t60 h ALA 54 Cb 1.16 -0.18 -0.27 0.00 0.00 0.00 0.00 17.79 18.50 1t60 h ALA 54 CO 0.69 0.15 -0.76 1.03 0.00 0.00 0.00 179.25 180.36 1t60 s ARG 55 N -6.09 3.37 0.46 0.00 0.52 -1.26 -4.54 118.95 111.41 1t60 s ARG 55 Ca -0.13 -0.68 -0.05 0.00 -0.52 0.00 0.00 55.73 54.36 1t60 s ARG 55 Cb 0.17 -2.70 -0.04 0.00 0.52 0.00 0.00 34.95 32.90 1t60 s ARG 55 CO 0.77 0.12 0.75 0.12 0.02 0.00 0.00 175.30 177.08 1t60 s PHE 56 N 0.59 3.55 -0.28 -0.53 2.19 -1.26 -4.96 117.98 117.28 1t60 s PHE 56 Ca -0.07 0.75 -0.27 0.00 0.33 0.00 0.00 56.93 57.67 1t60 s PHE 56 Cb -0.15 -2.25 0.18 0.00 -1.31 0.00 0.00 43.02 39.49 1t60 s PHE 56 CO 0.03 -0.21 1.34 0.45 1.83 0.00 0.00 175.22 178.66 1t60 s SER 57 N -4.06 -0.11 0.60 6.13 0.15 -1.26 -5.00 113.70 110.16 1t60 s SER 57 Ca 0.46 0.17 0.38 0.00 0.70 0.00 0.00 55.95 57.67 1t60 s SER 57 Cb -0.10 0.16 1.87 0.00 -1.71 0.00 0.00 66.02 66.24 1t60 s SER 57 CO 0.43 -0.06 2.18 0.71 1.20 0.00 0.00 173.24 177.69 1t60 h THR 58 N 2.71 0.08 -2.51 6.45 1.35 -1.94 -3.31 112.91 115.73 1t60 h THR 58 Ca -0.20 -0.28 -0.59 0.00 -0.55 0.00 0.00 66.41 64.80 1t60 h THR 58 Cb 1.19 1.25 -0.39 0.00 -1.73 0.00 0.00 68.15 68.48 1t60 h THR 58 CO 0.20 0.02 -0.90 -0.32 -0.25 0.00 0.00 175.52 174.27 1t60 s MET 59 N -3.96 0.80 0.00 4.72 -2.45 -1.26 -3.53 119.30 113.62 1t60 s MET 59 Ca -0.02 -1.79 0.12 0.00 -1.25 0.00 0.00 55.69 52.76 1t60 s MET 59 Cb 0.11 -1.46 0.57 0.00 1.25 0.00 0.00 34.83 35.30 1t60 s MET 59 CO 0.49 -1.29 1.39 -0.35 1.05 0.00 0.00 175.02 176.31 1t60 n PRO 60 N 3.39 1.33 -4.23 4.11 -0.04 -1.25 -4.89 135.00 133.42 1t60 n PRO 60 Ca 0.21 -0.50 -0.13 0.00 -0.04 0.00 0.00 63.50 63.03 1t60 n PRO 60 Cb 0.42 -1.23 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.86 1.22 0.25 0.54 -0.71 -1.26 -5.09 117.98 111.07 1t60 s PHE 61 Ca 0.20 -1.22 0.01 0.00 -1.04 0.00 0.00 56.93 54.88 1t60 s PHE 61 Cb 0.10 -0.67 -0.05 0.00 -1.21 0.00 0.00 43.02 41.20 1t60 s PHE 61 CO 0.16 -0.44 0.12 -0.48 -1.34 0.00 0.00 175.22 173.23 1t60 s LEU 62 N -3.18 1.52 0.05 -1.99 0.05 -1.26 -4.53 118.68 109.33 1t60 s LEU 62 Ca 0.33 -1.42 -0.00 0.00 0.05 0.00 0.00 54.13 53.09 1t60 s LEU 62 Cb 0.07 0.15 -0.03 0.00 -2.05 0.00 0.00 46.19 44.33 1t60 s LEU 62 CO 0.09 -0.79 -0.04 -0.72 -0.55 0.00 0.00 176.35 174.34 1t60 s TYR 63 N -3.83 0.52 0.08 3.48 -0.85 -0.74 -4.98 117.35 111.03 1t60 s TYR 63 Ca 0.38 -0.84 0.04 0.00 -0.52 0.00 0.00 57.07 56.12 1t60 s TYR 63 Cb 0.07 -0.36 -0.03 0.00 0.38 0.00 0.00 41.96 42.02 1t60 s TYR 63 CO 0.14 -0.26 -0.11 0.00 -1.52 0.00 0.00 175.55 173.80 1t60 s ASN 65 N -2.17 3.98 0.61 0.00 2.20 -0.49 -4.99 114.94 114.08 1t60 s ASN 65 Ca 0.02 -1.09 0.28 0.00 -0.94 0.00 0.00 52.86 51.13 1t60 s ASN 65 Cb -0.05 -0.45 1.48 0.00 -2.00 0.00 0.00 41.25 40.22 1t60 s ASN 65 CO 0.01 -0.23 1.88 -0.65 -2.94 0.00 0.00 177.10 175.16 1t60 h PRO 66 N 1.90 0.00 -0.08 3.55 0.11 -2.02 -2.09 132.00 133.36 1t60 h PRO 66 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1t60 h PRO 66 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1t60 h PRO 66 CO 0.69 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.89 1t60 n GLY 67 N -1.44 -0.29 2.92 -0.55 0.00 -1.26 -4.76 105.19 99.81 1t60 n GLY 67 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.38 -5.63 -4.20 1.61 10.43 -0.79 -5.00 116.55 112.60 1t60 n ASP 68 Ca 0.00 -0.28 -0.31 0.00 2.57 0.00 0.00 54.79 56.76 1t60 n ASP 68 Cb 0.02 -4.43 -0.17 0.00 1.84 0.00 0.00 41.12 38.39 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 -3.13 1.98 0.11 2.53 1.01 -1.23 -5.00 120.40 116.66 1t60 s VAL 69 Ca 0.30 -0.97 0.10 0.00 0.00 0.00 0.00 61.98 61.42 1t60 s VAL 69 Cb -0.13 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1t60 s VAL 69 CO 0.37 0.54 -0.26 0.00 0.00 0.00 0.00 175.10 175.75 1t60 s TYR 71 N -1.01 1.54 -0.15 0.00 2.02 0.14 -4.98 117.35 114.92 1t60 s TYR 71 Ca 0.14 -0.54 0.01 0.00 -0.37 0.00 0.00 57.07 56.31 1t60 s TYR 71 Cb -0.10 -1.10 0.00 0.00 -0.40 0.00 0.00 41.96 40.36 1t60 s TYR 71 CO 0.05 -0.25 -0.17 -0.47 -1.57 0.00 0.00 175.55 173.14 1t60 s TYR 72 N 0.48 2.75 -1.61 2.71 6.14 -1.26 -1.80 117.35 124.76 1t60 s TYR 72 Ca -0.12 -1.13 -0.12 0.00 0.64 0.00 0.00 57.07 56.34 1t60 s TYR 72 Cb -0.15 -1.87 0.10 0.00 0.42 0.00 0.00 41.96 40.46 1t60 s TYR 72 CO 0.04 -0.52 0.60 0.00 0.64 0.00 0.00 175.55 176.31 1t60 n ALA 73 N 4.09 -1.54 -1.21 3.97 0.00 -1.26 -4.86 120.51 119.70 1t60 n ALA 73 Ca -0.19 -0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.20 1t60 n ALA 73 Cb 0.52 -2.63 0.17 0.00 0.00 0.00 0.00 19.45 17.50 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 -2.76 2.32 0.00 0.00 7.64 -1.26 -4.75 113.62 114.80 1t60 n SER 74 Ca -0.07 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 56.50 1t60 n SER 74 Cb 0.56 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.28 0.00 -1.95 1.43 0.63 -1.26 -5.09 116.66 109.15 1t60 n ARG 75 Ca 0.18 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 57.12 1t60 n ARG 75 Cb 0.69 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.64 1t60 n ARG 75 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1t60 n ASN 76 N 0.00 1.41 -4.91 6.15 5.03 -1.26 -4.84 115.26 116.85 1t60 n ASN 76 Ca 0.00 -2.20 -0.27 0.00 0.87 0.00 0.00 54.58 52.98 1t60 n ASN 76 Cb 0.00 -0.38 0.05 0.00 -1.02 0.00 0.00 39.78 38.43 1t60 n ASN 76 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1t60 s ASP 77 N -2.80 5.30 0.32 6.41 -0.00 -1.26 -4.94 116.67 119.70 1t60 s ASP 77 Ca 0.32 0.74 0.06 0.00 -0.00 0.00 0.00 52.55 53.68 1t60 s ASP 77 Cb 0.36 -1.58 -0.03 0.00 -0.00 0.00 0.00 42.92 41.68 1t60 s ASP 77 CO -0.11 -1.31 0.25 -0.54 -0.00 0.00 0.00 175.17 173.46 1t60 s LYS 78 N -5.17 1.70 0.01 8.23 1.02 -0.83 -2.37 119.74 122.32 1t60 s LYS 78 Ca 0.57 -1.98 -0.04 0.00 0.02 0.00 0.00 55.97 54.54 1t60 s LYS 78 Cb -0.11 0.26 -0.01 0.00 -0.52 0.00 0.00 37.83 37.45 1t60 s LYS 78 CO 0.47 -0.60 0.07 -1.54 -0.92 0.00 0.00 175.35 172.82 1t60 s SER 79 N -3.36 0.11 -0.02 2.83 1.04 -0.87 -1.65 113.70 111.77 1t60 s SER 79 Ca 0.39 -0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.56 1t60 s SER 79 Cb 0.03 0.16 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 1t60 s SER 79 CO 0.25 -0.33 -0.14 -0.31 0.98 0.00 0.00 173.24 173.68 1t60 s TYR 80 N -1.38 1.36 0.08 5.02 2.02 0.09 -0.72 117.35 123.82 1t60 s TYR 80 Ca -0.15 -0.31 0.04 0.00 -0.37 0.00 0.00 57.07 56.28 1t60 s TYR 80 Cb -0.08 -0.90 -0.03 0.00 -0.40 0.00 0.00 41.96 40.54 1t60 s TYR 80 CO 0.01 -0.08 -0.11 -1.58 -1.57 0.00 0.00 175.55 172.22 1t60 s TRP 81 N -0.13 1.02 0.40 2.71 0.52 -0.87 -1.20 118.94 121.39 1t60 s TRP 81 Ca 0.01 -0.57 -0.26 0.00 0.02 0.00 0.00 56.10 55.30 1t60 s TRP 81 Cb -0.08 -0.57 -0.09 0.00 -1.15 0.00 0.00 33.47 31.58 1t60 s TRP 81 CO 0.00 -0.00 1.27 -0.51 0.02 0.00 0.00 176.95 177.73 1t60 s LEU 82 N -2.07 4.21 0.53 2.99 1.43 -0.41 -0.58 118.68 124.78 1t60 s LEU 82 Ca 0.00 2.58 0.06 0.00 -1.03 0.00 0.00 54.13 55.75 1t60 s LEU 82 Cb -0.06 -3.92 0.03 0.00 0.03 0.00 0.00 46.19 42.27 1t60 s LEU 82 CO 0.01 -0.80 0.44 -0.94 0.23 0.00 0.00 176.35 175.28 1t60 s SER 83 N -0.82 4.72 0.02 2.29 1.04 0.28 -1.30 113.70 119.93 1t60 s SER 83 Ca 0.57 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1t60 s SER 83 Cb -0.36 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1t60 s SER 83 CO 0.47 -1.06 0.00 0.35 0.98 0.00 0.00 173.24 173.98 1t60 n THR 84 N -1.77 0.00 1.60 2.02 -2.24 -0.70 -4.43 114.28 108.76 1t60 n THR 84 Ca 0.01 -0.01 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1t60 n THR 84 Cb 0.64 -1.02 0.46 0.00 -2.10 0.00 0.00 70.33 68.31 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 -1.02 0.11 -1.66 4.28 -2.24 -1.24 -4.91 114.28 107.59 1t60 n THR 85 Ca 0.00 -0.18 -0.44 0.00 -2.27 0.00 0.00 64.05 61.16 1t60 n THR 85 Cb 0.00 0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.27 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 -0.21 0.78 -1.75 6.98 0.00 -1.26 -4.90 120.51 120.16 1t60 n ALA 86 Ca 0.15 0.39 -0.38 0.00 0.00 0.00 0.00 53.44 53.61 1t60 n ALA 86 Cb 0.20 -2.20 0.04 0.00 0.00 0.00 0.00 19.45 17.50 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 -1.19 3.01 0.16 0.00 0.04 -1.26 -4.90 135.00 130.86 1t60 s PRO 87 Ca 0.62 2.09 -0.32 0.00 0.04 0.00 0.00 61.00 63.43 1t60 s PRO 87 Cb -0.64 -2.11 -0.12 0.00 0.04 0.00 0.00 34.50 31.67 1t60 s PRO 87 CO 0.57 -1.25 1.76 1.28 0.04 0.00 0.00 177.00 179.39 1t60 n LEU 88 N -1.30 3.89 -4.84 -3.56 7.99 -1.26 -4.96 117.00 112.97 1t60 n LEU 88 Ca 0.12 1.03 -0.32 0.00 -0.01 0.00 0.00 56.01 56.83 1t60 n LEU 88 Cb 0.47 -1.54 -0.04 0.00 -0.11 0.00 0.00 43.42 42.19 1t60 n LEU 88 CO 0.50 0.12 0.67 -2.16 -1.51 0.00 0.00 177.39 175.01 1t60 s PRO 89 N 1.81 4.02 0.31 3.23 0.04 -1.26 -4.97 135.00 138.19 1t60 s PRO 89 Ca 0.79 1.01 0.26 0.00 0.04 0.00 0.00 61.00 63.09 1t60 s PRO 89 Cb -0.52 -2.15 0.87 0.00 0.04 0.00 0.00 34.50 32.74 1t60 s PRO 89 CO 0.35 -0.21 1.76 0.52 0.04 0.00 0.00 177.00 179.47 1t60 h MET 90 N 1.20 0.00 -3.57 4.56 2.86 -2.00 -3.46 114.93 114.52 1t60 h MET 90 Ca -0.47 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.11 1t60 h MET 90 Cb 1.18 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.73 1t60 h MET 90 CO 0.61 0.00 -0.14 -1.64 1.06 0.00 0.00 176.91 176.80 1t60 s MET 91 N -3.27 1.22 0.35 1.72 -1.94 -1.26 -5.14 119.30 110.99 1t60 s MET 91 Ca 0.07 -0.97 -0.29 0.00 -1.71 0.00 0.00 55.69 52.79 1t60 s MET 91 Cb 0.10 0.45 -0.11 0.00 2.01 0.00 0.00 34.83 37.27 1t60 s MET 91 CO 0.54 -0.48 1.48 -2.30 -0.01 0.00 0.00 175.02 174.25 1t60 n PRO 92 N -0.26 2.58 -3.46 2.03 -0.02 -1.26 -4.96 135.00 129.65 1t60 n PRO 92 Ca -0.10 0.91 -0.37 0.00 -2.02 0.00 0.00 63.50 61.91 1t60 n PRO 92 Cb 0.63 -2.63 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 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 -0.84 4.98 0.07 -1.45 -7.23 -0.05 -4.87 120.40 111.01 1t60 s VAL 93 Ca 0.56 0.85 0.07 0.00 -1.81 0.00 0.00 61.98 61.65 1t60 s VAL 93 Cb -0.50 -3.73 -0.04 0.00 0.56 0.00 0.00 36.38 32.67 1t60 s VAL 93 CO 0.60 0.51 -0.15 0.00 -0.31 0.00 0.00 175.10 175.75 1t60 s ALA 94 N -1.16 2.75 0.00 1.32 0.00 -1.26 -0.91 121.76 122.50 1t60 s ALA 94 Ca 0.27 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1t60 s ALA 94 Cb -0.17 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.15 1t60 s ALA 94 CO 0.15 0.60 0.00 0.39 0.00 0.00 0.00 175.76 176.90 1t60 n GLU 95 N 1.20 0.00 0.09 0.00 1.02 -1.00 -1.02 120.64 120.93 1t60 n GLU 95 Ca -0.15 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.19 1t60 n GLU 95 Cb 0.52 0.00 0.75 0.00 -0.02 0.00 0.00 31.44 32.69 1t60 n GLU 95 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1t60 h GLU 96 N 0.00 0.00 0.00 3.49 9.09 -1.96 0.07 114.58 125.26 1t60 h GLU 96 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1t60 h GLU 96 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1t60 h GLU 96 CO 0.00 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.81 1t60 n ASP 97 N -3.81 0.00 0.10 3.06 8.00 -0.18 -2.99 116.55 120.73 1t60 n ASP 97 Ca 0.07 0.18 -0.16 0.00 0.71 0.00 0.00 54.79 55.59 1t60 n ASP 97 Cb 0.58 -0.36 -0.12 0.00 -0.02 0.00 0.00 41.12 41.20 1t60 n ASP 97 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1t60 h ILE 98 N 0.00 1.46 -0.90 0.53 2.04 -1.09 -3.38 117.51 116.17 1t60 h ILE 98 Ca 0.00 -2.90 0.14 0.00 1.00 0.00 0.00 64.86 63.09 1t60 h ILE 98 Cb 0.25 2.84 -0.14 0.00 -0.74 0.00 0.00 36.82 39.03 1t60 h ILE 98 CO 0.00 0.85 -0.35 -1.14 0.00 0.00 0.00 178.15 177.51 1t60 n ARG 99 N -3.59 -0.21 0.15 2.37 0.63 -1.16 -0.33 116.66 114.52 1t60 n ARG 99 Ca -0.09 1.38 0.10 0.00 -0.92 0.00 0.00 57.85 58.33 1t60 n ARG 99 Cb 0.99 -2.05 0.55 0.00 0.45 0.00 0.00 32.46 32.40 1t60 n ARG 99 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1t60 n PRO 100 N -5.32 0.13 0.03 -0.14 -0.02 -1.26 -2.55 135.00 125.86 1t60 n PRO 100 Ca 0.09 0.63 0.11 0.00 -2.02 0.00 0.00 63.50 62.31 1t60 n PRO 100 Cb 0.36 -1.93 -0.05 0.00 -0.02 0.00 0.00 33.50 31.86 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 -2.21 0.27 -3.27 6.00 4.01 0.55 -4.60 117.16 117.92 1t60 n TYR 101 Ca -0.01 0.08 -0.39 0.00 -0.16 0.00 0.00 57.90 57.41 1t60 n TYR 101 Cb 0.03 -0.49 -0.07 0.00 -0.31 0.00 0.00 39.34 38.50 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 -3.30 5.11 0.54 -0.72 -1.09 -1.06 -1.72 121.20 118.98 1t60 s ILE 102 Ca 0.00 0.89 -0.20 0.00 -2.23 0.00 0.00 60.65 59.10 1t60 s ILE 102 Cb 0.14 -3.82 -0.05 0.00 -1.58 0.00 0.00 42.46 37.15 1t60 s ILE 102 CO 0.84 0.17 1.20 -0.55 -1.23 0.00 0.00 174.94 175.37 1t60 s SER 103 N 1.25 5.56 0.36 3.58 0.15 -0.42 -4.33 113.70 119.85 1t60 s SER 103 Ca 0.22 2.38 0.08 0.00 0.70 0.00 0.00 55.95 59.33 1t60 s SER 103 Cb -0.15 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.53 1t60 s SER 103 CO 0.09 -1.34 0.31 -0.13 1.20 0.00 0.00 173.24 173.37 1t60 s ARG 104 N -3.09 2.65 0.17 5.44 1.81 -0.80 -1.07 118.95 124.07 1t60 s ARG 104 Ca 0.72 -1.37 -0.11 0.00 -1.72 0.00 0.00 55.73 53.25 1t60 s ARG 104 Cb -0.30 -2.44 -0.00 0.00 -0.45 0.00 0.00 34.95 31.76 1t60 s ARG 104 CO 0.34 0.01 0.34 0.00 -0.68 0.00 0.00 175.30 175.31 1t60 s SER 106 N -2.95 0.03 -0.27 0.00 0.01 -0.48 -1.00 113.70 109.04 1t60 s SER 106 Ca 0.15 -0.07 -0.06 0.00 1.31 0.00 0.00 55.95 57.29 1t60 s SER 106 Cb 0.02 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.28 1t60 s SER 106 CO -0.00 -0.05 0.03 -0.69 0.41 0.00 0.00 173.24 172.94 1t60 s VAL 107 N -0.24 3.74 -0.07 3.43 1.01 -0.08 -1.73 120.40 126.46 1t60 s VAL 107 Ca -0.03 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1t60 s VAL 107 Cb -0.02 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1t60 s VAL 107 CO -0.00 0.21 -0.15 0.00 0.00 0.00 0.00 175.10 175.17 1t60 s GLU 109 N -0.37 4.24 0.19 0.00 2.12 0.14 0.23 118.70 125.25 1t60 s GLU 109 Ca 0.04 1.61 0.08 0.00 0.36 0.00 0.00 54.97 57.06 1t60 s GLU 109 Cb -0.12 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.48 1t60 s GLU 109 CO 0.02 -0.69 -0.02 0.00 -0.54 0.00 0.00 175.26 174.03 1t60 s ALA 110 N 3.44 3.13 0.22 6.30 0.00 0.95 -3.57 121.76 132.23 1t60 s ALA 110 Ca 0.53 -1.44 0.11 0.00 0.00 0.00 0.00 51.96 51.15 1t60 s ALA 110 Cb -0.21 -0.90 0.25 0.00 0.00 0.00 0.00 23.12 22.27 1t60 s ALA 110 CO 0.13 0.44 1.54 -1.00 0.00 0.00 0.00 175.76 176.87 1t60 h PRO 111 N 2.61 0.00 -4.43 0.00 0.13 -1.91 -3.21 132.00 125.19 1t60 h PRO 111 Ca -0.47 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.46 1t60 h PRO 111 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 1t60 h PRO 111 CO 0.57 0.68 -0.55 0.00 -0.23 0.00 0.00 178.00 178.48 1t60 s ALA 112 N -3.39 0.92 0.29 -0.56 0.00 -1.26 -4.81 121.76 112.95 1t60 s ALA 112 Ca -0.01 -1.54 -0.29 0.00 0.00 0.00 0.00 51.96 50.12 1t60 s ALA 112 Cb 0.12 1.28 -0.10 0.00 0.00 0.00 0.00 23.12 24.42 1t60 s ALA 112 CO 0.77 -0.62 1.28 0.08 0.00 0.00 0.00 175.76 177.27 1t60 s VAL 113 N -4.12 2.94 0.01 0.00 1.01 -1.26 -4.76 120.40 114.22 1t60 s VAL 113 Ca 0.35 0.90 0.01 0.00 0.00 0.00 0.00 61.98 63.24 1t60 s VAL 113 Cb 0.06 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1t60 s VAL 113 CO 0.10 0.19 0.04 0.00 0.00 0.00 0.00 175.10 175.43 1t60 s ALA 114 N -0.84 3.42 0.31 5.51 0.00 -1.26 -3.55 121.76 125.35 1t60 s ALA 114 Ca 0.50 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.55 1t60 s ALA 114 Cb -0.38 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 1t60 s ALA 114 CO 0.47 0.68 0.13 0.96 0.00 0.00 0.00 175.76 178.00 1t60 s ILE 115 N -1.17 0.52 -0.02 0.00 -4.36 0.21 -4.73 121.20 111.64 1t60 s ILE 115 Ca 0.22 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.67 1t60 s ILE 115 Cb -0.12 -2.55 -0.01 0.00 1.25 0.00 0.00 42.46 41.03 1t60 s ILE 115 CO 0.13 0.00 -0.19 0.00 0.24 0.00 0.00 174.94 175.12 1t60 s ALA 116 N -3.55 1.64 -0.00 2.27 0.00 -0.59 -0.95 121.76 120.57 1t60 s ALA 116 Ca 0.35 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.55 1t60 s ALA 116 Cb 0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 1t60 s ALA 116 CO 0.16 0.38 -0.22 0.14 0.00 0.00 0.00 175.76 176.21 1t60 s VAL 117 N -0.34 1.77 -0.03 0.00 -7.23 -0.47 -4.48 120.40 109.62 1t60 s VAL 117 Ca 0.05 -1.02 0.07 0.00 -1.81 0.00 0.00 61.98 59.26 1t60 s VAL 117 Cb -0.09 -1.49 -0.02 0.00 0.56 0.00 0.00 36.38 35.35 1t60 s VAL 117 CO 0.00 0.44 -0.23 -1.00 -0.31 0.00 0.00 175.10 174.00 1t60 s HIS 118 N -0.58 2.12 -0.10 2.82 3.76 -1.26 -1.59 115.29 120.45 1t60 s HIS 118 Ca 0.09 -0.46 0.16 0.00 -0.15 0.00 0.00 55.06 54.69 1t60 s HIS 118 Cb -0.09 -1.37 -0.19 0.00 1.11 0.00 0.00 32.58 32.04 1t60 s HIS 118 CO -0.00 -0.08 0.65 -1.13 -0.85 0.00 0.00 174.74 173.33 1t60 n SER 119 N 2.64 0.72 -3.25 1.40 3.41 -0.39 -4.93 113.62 113.23 1t60 n SER 119 Ca -0.16 0.33 -0.23 0.00 -0.26 0.00 0.00 58.87 58.54 1t60 n SER 119 Cb 0.52 0.26 0.04 0.00 -0.26 0.00 0.00 64.21 64.77 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 -2.90 -5.34 -3.85 4.33 6.02 -1.26 -4.91 117.38 109.46 1t60 n GLN 120 Ca -0.15 0.81 -0.09 0.00 -0.01 0.00 0.00 57.00 57.56 1t60 n GLN 120 Cb 0.95 -5.70 -0.04 0.00 1.02 0.00 0.00 30.24 26.47 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 -2.87 -0.18 0.44 1.08 2.15 -1.26 -0.34 116.67 115.69 1t60 s ASP 121 Ca 0.40 -0.66 0.24 0.00 0.43 0.00 0.00 52.55 52.96 1t60 s ASP 121 Cb -0.18 0.58 0.87 0.00 -0.30 0.00 0.00 42.92 43.89 1t60 s ASP 121 CO 0.49 -1.09 1.80 -0.37 -0.17 0.00 0.00 175.17 175.83 1t60 h VAL 122 N 2.23 0.49 -3.98 1.11 -1.51 -1.87 -3.02 116.25 109.70 1t60 h VAL 122 Ca -0.27 -1.13 -0.47 0.00 -1.23 0.00 0.00 66.70 63.60 1t60 h VAL 122 Cb 1.25 1.80 -0.00 0.00 -2.13 0.00 0.00 31.29 32.21 1t60 h VAL 122 CO 0.36 0.21 0.37 -0.94 -1.23 0.00 0.00 177.57 176.34 1t60 s SER 123 N -6.16 6.91 0.07 4.19 1.04 -1.26 -4.83 113.70 113.67 1t60 s SER 123 Ca 0.01 1.89 -0.30 0.00 0.48 0.00 0.00 55.95 58.03 1t60 s SER 123 Cb 0.10 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.59 1t60 s SER 123 CO 0.64 -0.38 1.09 -0.63 0.98 0.00 0.00 173.24 174.94 1t60 s ILE 124 N -1.80 4.29 0.53 -1.02 1.09 -1.26 -4.58 121.20 118.46 1t60 s ILE 124 Ca 0.58 1.73 -0.20 0.00 -1.10 0.00 0.00 60.65 61.66 1t60 s ILE 124 Cb -0.17 -4.11 -0.06 0.00 -1.06 0.00 0.00 42.46 37.06 1t60 s ILE 124 CO 0.22 0.18 1.15 -2.16 -0.10 0.00 0.00 174.94 174.24 1t60 s PRO 125 N 0.62 3.38 0.31 2.79 0.04 -1.26 -5.01 135.00 135.87 1t60 s PRO 125 Ca 0.53 1.68 -0.15 0.00 0.04 0.00 0.00 61.00 63.10 1t60 s PRO 125 Cb -0.26 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.12 1t60 s PRO 125 CO 0.30 -0.84 0.73 -1.01 0.04 0.00 0.00 177.00 176.23 1t60 s HIS 126 N -1.70 3.40 0.36 0.56 3.76 -1.26 -4.65 115.29 115.76 1t60 s HIS 126 Ca 0.72 1.23 -0.25 0.00 -0.15 0.00 0.00 55.06 56.61 1t60 s HIS 126 Cb -0.26 -2.54 -0.09 0.00 1.11 0.00 0.00 32.58 30.80 1t60 s HIS 126 CO 0.29 0.12 1.03 0.00 -0.85 0.00 0.00 174.74 175.33 1t60 n PRO 128 N 0.28 0.44 -1.72 0.00 -0.02 -1.26 -4.80 135.00 127.91 1t60 n PRO 128 Ca 0.03 0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 61.29 1t60 n PRO 128 Cb 0.49 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.94 1t60 n PRO 128 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t60 s ALA 129 N -1.83 3.82 0.00 3.55 0.00 -1.26 -1.28 121.76 124.75 1t60 s ALA 129 Ca 0.70 1.49 0.00 0.00 0.00 0.00 0.00 51.96 54.15 1t60 s ALA 129 Cb -0.36 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.02 1t60 s ALA 129 CO 0.54 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.58 1t60 n GLY 130 N 4.15 0.64 3.43 0.00 0.00 -1.26 -5.02 105.19 107.13 1t60 n GLY 130 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.09 2.36 0.21 1.61 0.52 -0.41 0.21 118.94 121.35 1t60 s TRP 131 Ca 0.00 -0.34 0.09 0.00 0.02 0.00 0.00 56.10 55.87 1t60 s TRP 131 Cb 0.00 -1.22 -0.04 0.00 -1.15 0.00 0.00 33.47 31.05 1t60 s TRP 131 CO 0.00 0.42 -0.10 -0.98 0.02 0.00 0.00 176.95 176.32 1t60 s ARG 132 N -2.37 2.03 0.09 4.98 1.70 0.12 -4.75 118.95 120.76 1t60 s ARG 132 Ca 0.18 -1.36 -0.25 0.00 -0.47 0.00 0.00 55.73 53.83 1t60 s ARG 132 Cb -0.09 -2.10 -0.06 0.00 -0.57 0.00 0.00 34.95 32.12 1t60 s ARG 132 CO 0.09 0.41 0.76 0.45 -1.08 0.00 0.00 175.30 175.92 1t60 s SER 133 N -3.05 7.27 -0.19 -2.89 0.15 -1.26 -0.51 113.70 113.22 1t60 s SER 133 Ca 0.26 1.51 0.06 0.00 0.70 0.00 0.00 55.95 58.49 1t60 s SER 133 Cb -0.08 -2.47 -0.16 0.00 -1.71 0.00 0.00 66.02 61.60 1t60 s SER 133 CO 0.16 0.11 -0.10 0.18 1.20 0.00 0.00 173.24 174.79 1t60 n LEU 134 N 2.28 1.91 -3.59 3.45 4.77 0.44 -4.92 117.00 121.33 1t60 n LEU 134 Ca -0.04 -0.07 -0.04 0.00 -0.03 0.00 0.00 56.01 55.83 1t60 n LEU 134 Cb 0.50 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1t60 n LEU 134 CO 0.46 0.69 0.99 -1.66 -1.33 0.00 0.00 177.39 176.54 1t60 s TRP 135 N -2.40 -0.13 0.14 -1.77 -2.14 -1.22 -5.00 118.94 106.42 1t60 s TRP 135 Ca -0.21 0.07 0.11 0.00 2.66 0.00 0.00 56.10 58.73 1t60 s TRP 135 Cb 0.06 0.52 -0.04 0.00 -3.10 0.00 0.00 33.47 30.91 1t60 s TRP 135 CO 0.54 -0.24 -0.25 0.96 -2.66 0.00 0.00 176.95 175.29 1t60 s ILE 136 N -2.48 2.21 0.00 0.66 -4.36 -1.26 -0.61 121.20 115.36 1t60 s ILE 136 Ca 0.10 -1.81 0.00 0.00 -0.26 0.00 0.00 60.65 58.67 1t60 s ILE 136 Cb -0.00 -1.98 0.00 0.00 1.25 0.00 0.00 42.46 41.73 1t60 s ILE 136 CO -0.05 0.01 0.00 0.61 0.24 0.00 0.00 174.94 175.75 1t60 n GLY 137 N 0.74 3.29 3.44 6.27 0.00 0.17 -4.48 105.19 114.62 1t60 n GLY 137 Ca -0.17 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.24 2.52 -0.79 1.61 1.51 0.87 -1.28 117.35 120.55 1t60 s TYR 138 Ca 0.00 -0.28 -0.25 0.00 -1.01 0.00 0.00 57.07 55.52 1t60 s TYR 138 Cb 0.00 -1.45 -0.02 0.00 -0.11 0.00 0.00 41.96 40.37 1t60 s TYR 138 CO 0.00 0.23 1.82 -1.12 -1.11 0.00 0.00 175.55 175.37 1t60 s SER 139 N -1.39 5.38 -0.36 2.29 0.01 -0.72 -2.14 113.70 116.76 1t60 s SER 139 Ca 0.14 -0.33 -0.23 0.00 1.31 0.00 0.00 55.95 56.84 1t60 s SER 139 Cb -0.10 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.59 1t60 s SER 139 CO 0.05 -2.43 0.77 0.12 0.41 0.00 0.00 173.24 172.15 1t60 s PHE 140 N 8.95 3.12 -0.19 2.43 5.36 -0.04 -1.94 117.98 135.68 1t60 s PHE 140 Ca 0.64 0.55 -0.16 0.00 -0.96 0.00 0.00 56.93 57.00 1t60 s PHE 140 Cb -0.09 -3.37 -0.07 0.00 -0.34 0.00 0.00 43.02 39.15 1t60 s PHE 140 CO 0.08 -0.72 -0.30 -0.11 -1.46 0.00 0.00 175.22 172.71 1t60 n LEU 141 N 6.38 1.92 0.00 6.12 7.94 -0.05 -4.52 117.00 134.79 1t60 n LEU 141 Ca 0.03 0.39 -0.10 0.00 -1.11 0.00 0.00 56.01 55.22 1t60 n LEU 141 Cb 0.48 -0.78 -0.00 0.00 0.53 0.00 0.00 43.42 43.65 1t60 n LEU 141 CO 0.53 -0.17 0.28 1.15 -1.11 0.00 0.00 177.39 178.07 1t60 n MET 142 N -4.46 0.74 -3.49 1.96 0.00 -1.08 -0.46 117.12 110.33 1t60 n MET 142 Ca -0.19 -2.09 -0.13 0.00 0.00 0.00 0.00 57.70 55.29 1t60 n MET 142 Cb 0.53 2.25 -0.04 0.00 0.00 0.00 0.00 33.22 35.97 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 -3.36 -0.50 0.04 3.17 -3.43 0.61 -0.53 115.29 111.29 1t60 s HIS 143 Ca 0.19 0.43 -0.08 0.00 -0.80 0.00 0.00 55.06 54.80 1t60 s HIS 143 Cb -0.02 0.46 -0.00 0.00 -1.43 0.00 0.00 32.58 31.58 1t60 s HIS 143 CO 0.14 -0.75 0.16 0.95 -2.00 0.00 0.00 174.74 173.24 1t60 s THR 144 N -3.09 0.12 0.00 -5.38 -4.23 -0.92 -1.32 115.64 100.82 1t60 s THR 144 Ca -0.02 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1t60 s THR 144 Cb -0.00 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.89 1t60 s THR 144 CO -0.07 -0.54 0.00 0.00 -0.54 0.00 0.00 174.62 173.47 1t60 n ALA 145 N 0.65 0.00 -1.70 3.99 0.00 -0.78 -0.92 120.51 121.74 1t60 n ALA 145 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 1t60 n ALA 145 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 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 1.43 -0.78 0.00 0.00 -1.26 -4.53 120.51 112.37 1t60 n ALA 146 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1t60 n ALA 146 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.15 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 1.54 3.18 0.08 0.00 0.00 -1.26 -1.82 105.19 106.91 1t60 n GLY 147 Ca 0.08 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 3.11 2.31 -4.81 1.61 3.85 -1.26 -5.03 116.55 116.33 1t60 n ASP 148 Ca 0.00 -3.09 -0.33 0.00 -0.71 0.00 0.00 54.79 50.66 1t60 n ASP 148 Cb 0.00 -0.43 -0.05 0.00 -1.35 0.00 0.00 41.12 39.29 1t60 n ASP 148 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1t60 s GLU 149 N -2.85 4.03 0.00 0.11 0.41 -0.76 -4.88 118.70 114.75 1t60 s GLU 149 Ca 0.32 1.21 0.00 0.00 -0.41 0.00 0.00 54.97 56.09 1t60 s GLU 149 Cb 0.28 -2.14 0.00 0.00 -1.78 0.00 0.00 34.13 30.49 1t60 s GLU 149 CO 0.03 -0.22 0.00 0.41 -0.49 0.00 0.00 175.26 174.99 1t60 n GLY 150 N -0.54 -0.83 0.00 -1.39 0.00 -1.26 -1.87 105.19 99.29 1t60 n GLY 150 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.94 3.76 -0.02 0.00 -0.44 -4.76 105.19 102.79 1t60 n GLY 151 Ca 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.22 0.24 -0.02 0.00 -1.26 -0.29 107.32 105.77 1t60 s GLY 152 Ca 0.00 0.08 0.06 0.00 0.00 0.00 0.00 44.72 44.86 1t60 s GLY 152 CO 0.00 -0.00 0.24 1.20 0.00 0.00 0.00 173.10 174.54 1t60 s GLN 153 N -3.40 3.08 -0.19 2.90 -1.52 0.39 -4.94 119.66 115.99 1t60 s GLN 153 Ca 0.12 -0.95 -0.24 0.00 -1.95 0.00 0.00 55.36 52.34 1t60 s GLN 153 Cb -0.02 -2.67 -0.01 0.00 -0.22 0.00 0.00 33.01 30.08 1t60 s GLN 153 CO 0.03 0.42 0.79 0.45 -0.25 0.00 0.00 175.29 176.72 1t60 s SER 154 N -3.80 6.87 0.27 5.90 0.15 -1.26 -4.91 113.70 116.91 1t60 s SER 154 Ca 0.33 1.07 0.20 0.00 0.70 0.00 0.00 55.95 58.24 1t60 s SER 154 Cb -0.08 -2.43 1.02 0.00 -1.71 0.00 0.00 66.02 62.82 1t60 s SER 154 CO 0.26 -0.39 1.60 0.18 1.20 0.00 0.00 173.24 176.08 1t60 n LEU 155 N 5.35 0.51 0.00 3.45 4.77 -1.26 -0.84 117.00 128.99 1t60 n LEU 155 Ca 0.03 0.72 0.11 0.00 -0.03 0.00 0.00 56.01 56.84 1t60 n LEU 155 Cb 0.49 -0.76 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 1t60 n LEU 155 CO 0.47 -0.84 0.04 0.55 -1.33 0.00 0.00 177.39 176.28 1t60 n VAL 156 N -2.16 0.03 -3.10 4.08 3.14 -1.26 -4.51 118.33 114.54 1t60 n VAL 156 Ca -0.01 -0.07 -0.36 0.00 -2.96 0.00 0.00 64.34 60.94 1t60 n VAL 156 Cb 0.06 0.61 -0.06 0.00 -1.06 0.00 0.00 33.84 33.39 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 -3.26 7.02 0.60 6.55 0.15 -0.02 -1.54 113.70 123.20 1t60 s SER 157 Ca 0.07 1.40 0.40 0.00 0.70 0.00 0.00 55.95 58.53 1t60 s SER 157 Cb 0.16 -2.41 2.12 0.00 -1.71 0.00 0.00 66.02 64.18 1t60 s SER 157 CO 0.82 -0.01 2.23 -0.65 1.20 0.00 0.00 173.24 176.83 1t60 h PRO 158 N 3.23 0.00 0.00 5.44 0.11 -1.84 -1.70 132.00 137.25 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 0.65 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.85 1t60 n GLY 159 N -0.93 -1.08 0.69 -0.55 0.00 -1.26 -1.23 105.19 100.82 1t60 n GLY 159 Ca -0.02 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.23 1t60 n GLY 159 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t60 n SER 160 N -2.19 2.07 -3.87 1.61 3.41 -0.64 -4.64 113.62 109.37 1t60 n SER 160 Ca 0.01 -1.76 -0.30 0.00 -0.26 0.00 0.00 58.87 56.55 1t60 n SER 160 Cb 0.14 -0.12 -0.14 0.00 -0.26 0.00 0.00 64.21 63.83 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 0.35 4.30 0.18 0.00 1.43 -0.91 -4.78 118.68 119.25 1t60 s LEU 162 Ca 0.15 0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 53.84 1t60 s LEU 162 Cb -0.23 -2.51 0.09 0.00 0.03 0.00 0.00 46.19 43.57 1t60 s LEU 162 CO -0.04 0.12 1.73 -0.33 0.23 0.00 0.00 176.35 178.06 1t60 h GLU 163 N 6.26 0.97 -4.70 1.70 5.08 -1.89 0.25 114.58 122.25 1t60 h GLU 163 Ca -0.44 -0.19 -0.68 0.00 -1.00 0.00 0.00 59.36 57.06 1t60 h GLU 163 Cb 1.18 -0.15 -0.20 0.00 0.50 0.00 0.00 28.75 30.08 1t60 h GLU 163 CO 0.72 0.83 -0.49 -0.51 -1.00 0.00 0.00 179.01 178.57 1t60 s ASP 164 N -6.20 6.00 0.23 1.42 -0.00 -1.26 -4.61 116.67 112.25 1t60 s ASP 164 Ca -0.13 -0.48 -0.30 0.00 -0.00 0.00 0.00 52.55 51.64 1t60 s ASP 164 Cb 0.13 -2.12 -0.09 0.00 -0.00 0.00 0.00 42.92 40.85 1t60 s ASP 164 CO 0.81 -0.25 0.99 0.12 -0.00 0.00 0.00 175.17 176.84 1t60 s PHE 165 N 1.70 3.86 -0.19 4.23 2.19 -1.26 -4.97 117.98 123.54 1t60 s PHE 165 Ca 0.06 1.84 -0.15 0.00 0.33 0.00 0.00 56.93 59.00 1t60 s PHE 165 Cb -0.17 -3.07 0.05 0.00 -1.31 0.00 0.00 43.02 38.51 1t60 s PHE 165 CO 0.10 0.15 0.48 1.03 1.83 0.00 0.00 175.22 178.81 1t60 s ARG 166 N -1.06 0.54 0.33 10.12 0.52 -1.26 -5.04 118.95 123.11 1t60 s ARG 166 Ca 0.43 0.73 0.02 0.00 -0.52 0.00 0.00 55.73 56.39 1t60 s ARG 166 Cb -0.27 0.21 0.57 0.00 0.52 0.00 0.00 34.95 35.98 1t60 s ARG 166 CO 0.34 -0.09 1.95 0.00 0.02 0.00 0.00 175.30 177.52 1t60 h ALA 167 N 5.80 1.45 -2.85 2.13 0.00 -1.98 -3.31 119.26 120.50 1t60 h ALA 167 Ca -0.29 -0.10 -0.61 0.00 0.00 0.00 0.00 54.91 53.91 1t60 h ALA 167 Cb 1.18 -0.24 -0.40 0.00 0.00 0.00 0.00 17.79 18.33 1t60 h ALA 167 CO 0.21 0.45 -0.75 0.99 0.00 0.00 0.00 179.25 180.16 1t60 s THR 168 N -5.52 1.63 -2.03 0.00 2.01 -1.26 -3.95 115.64 106.53 1t60 s THR 168 Ca -0.10 -3.19 0.27 0.00 0.31 0.00 0.00 61.69 58.98 1t60 s THR 168 Cb 0.17 -2.10 0.74 0.00 0.01 0.00 0.00 72.50 71.32 1t60 s THR 168 CO 0.77 -1.03 2.00 -0.81 -0.69 0.00 0.00 174.62 174.87 1t60 n PRO 169 N 2.79 1.04 -4.07 4.92 -0.04 -1.25 -4.88 135.00 133.52 1t60 n PRO 169 Ca 0.19 -0.06 -0.07 0.00 -0.04 0.00 0.00 63.50 63.51 1t60 n PRO 169 Cb 0.38 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.99 0.48 0.19 0.54 -0.71 -1.26 -0.56 117.98 114.66 1t60 s PHE 170 Ca 0.40 -0.99 0.10 0.00 -1.04 0.00 0.00 56.93 55.40 1t60 s PHE 170 Cb 0.18 -0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 41.60 1t60 s PHE 170 CO 0.31 -0.37 -0.21 -1.50 -1.34 0.00 0.00 175.22 172.11 1t60 s ILE 171 N -3.69 2.12 -0.19 -4.49 2.07 0.25 -4.77 121.20 112.51 1t60 s ILE 171 Ca 0.05 -2.04 -0.05 0.00 -1.41 0.00 0.00 60.65 57.20 1t60 s ILE 171 Cb 0.06 -2.03 -0.03 0.00 0.13 0.00 0.00 42.46 40.60 1t60 s ILE 171 CO -0.09 -0.25 0.01 -0.70 -1.91 0.00 0.00 174.94 172.00 1t60 s GLU 172 N -2.86 3.72 -0.13 3.50 2.12 -0.93 -2.05 118.70 122.07 1t60 s GLU 172 Ca 0.20 -0.47 -0.01 0.00 0.36 0.00 0.00 54.97 55.04 1t60 s GLU 172 Cb -0.06 -3.09 -0.02 0.00 0.26 0.00 0.00 34.13 31.22 1t60 s GLU 172 CO 0.09 0.12 -0.10 0.00 -0.54 0.00 0.00 175.26 174.84 1t60 s ASN 174 N 0.19 6.58 0.00 0.00 0.01 0.23 -2.06 114.94 119.88 1t60 s ASN 174 Ca -0.05 -2.13 0.00 0.00 -0.71 0.00 0.00 52.86 49.96 1t60 s ASN 174 Cb -0.15 -2.31 0.00 0.00 0.41 0.00 0.00 41.25 39.20 1t60 s ASN 174 CO 0.04 -0.91 0.00 0.61 -1.51 0.00 0.00 177.10 175.33 1t60 n GLY 175 N 4.91 0.00 0.24 0.66 0.00 -1.00 -0.76 105.19 109.23 1t60 n GLY 175 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 1.46 0.00 4.61 0.00 -1.86 -2.80 119.26 120.68 1t60 h ALA 176 Ca 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1t60 h ALA 176 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1t60 h ALA 176 CO 0.00 0.22 -0.29 -0.09 0.00 0.00 0.00 179.25 179.09 1t60 h ARG 177 N 0.00 0.00 -0.55 0.00 2.43 -1.33 -3.47 114.38 111.46 1t60 h ARG 177 Ca -0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 1t60 h ARG 177 Cb 0.37 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1t60 h ARG 177 CO 0.02 0.29 -0.14 0.41 -1.51 0.00 0.00 179.97 179.05 1t60 n GLY 178 N -0.10 0.56 3.34 2.80 0.00 -0.93 -4.96 105.19 105.90 1t60 n GLY 178 Ca -0.01 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.27 1.72 0.12 2.61 -4.23 -1.26 -2.37 115.64 109.96 1t60 s THR 179 Ca 0.00 -2.15 0.05 0.00 -1.18 0.00 0.00 61.69 58.41 1t60 s THR 179 Cb 0.00 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.81 1t60 s THR 179 CO 0.00 -0.56 -0.12 0.00 -0.54 0.00 0.00 174.62 173.40 1t60 s HIS 181 N -2.47 -0.20 -0.23 0.00 5.04 0.72 -0.87 115.29 117.29 1t60 s HIS 181 Ca 0.10 -0.06 -0.05 0.00 -1.54 0.00 0.00 55.06 53.51 1t60 s HIS 181 Cb -0.03 0.61 -0.01 0.00 0.04 0.00 0.00 32.58 33.19 1t60 s HIS 181 CO 0.02 -0.76 -0.02 0.71 -2.34 0.00 0.00 174.74 172.35 1t60 s TYR 182 N -3.27 2.99 0.17 3.88 1.51 -1.26 -2.19 117.35 119.17 1t60 s TYR 182 Ca 0.10 -0.80 0.05 0.00 -1.01 0.00 0.00 57.07 55.41 1t60 s TYR 182 Cb -0.01 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.67 1t60 s TYR 182 CO -0.01 -0.49 0.12 0.71 -1.11 0.00 0.00 175.55 174.77 1t60 s TYR 183 N 1.48 3.11 0.65 2.71 1.51 -1.26 -5.02 117.35 120.54 1t60 s TYR 183 Ca 0.06 -0.03 0.40 0.00 -1.01 0.00 0.00 57.07 56.49 1t60 s TYR 183 Cb -0.14 -1.50 2.22 0.00 -0.11 0.00 0.00 41.96 42.43 1t60 s TYR 183 CO -0.01 0.52 2.29 0.00 -1.11 0.00 0.00 175.55 177.24 1t60 h ALA 184 N 2.45 1.15 -0.15 3.71 0.00 -2.01 -2.60 119.26 121.80 1t60 h ALA 184 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1t60 h ALA 184 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1t60 h ALA 184 CO 0.63 -0.06 0.00 0.27 0.00 0.00 0.00 179.25 180.09 1t60 n ASN 185 N -3.19 1.25 -4.69 0.00 6.94 -1.26 -4.87 115.26 109.43 1t60 n ASN 185 Ca -0.03 -1.72 -0.42 0.00 -0.02 0.00 0.00 54.58 52.39 1t60 n ASN 185 Cb 0.12 -0.10 -0.03 0.00 -2.36 0.00 0.00 39.78 37.42 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 -1.80 4.33 -0.01 -3.83 1.02 -0.98 -4.23 119.74 114.22 1t60 s LYS 186 Ca 0.28 1.86 0.04 0.00 0.02 0.00 0.00 55.97 58.16 1t60 s LYS 186 Cb 0.14 -3.52 -0.01 0.00 -0.52 0.00 0.00 37.83 33.92 1t60 s LYS 186 CO 0.22 -0.49 -0.14 0.71 -0.92 0.00 0.00 175.35 174.73 1t60 s TYR 187 N 2.09 1.29 0.03 3.18 4.12 -0.10 -4.99 117.35 122.97 1t60 s TYR 187 Ca 0.61 -0.25 0.06 0.00 0.02 0.00 0.00 57.07 57.51 1t60 s TYR 187 Cb -0.29 -0.83 -0.03 0.00 -1.52 0.00 0.00 41.96 39.28 1t60 s TYR 187 CO 0.26 -0.03 -0.17 -1.54 0.02 0.00 0.00 175.55 174.09 1t60 s SER 188 N -0.31 3.89 -0.05 2.29 1.04 -1.25 -2.16 113.70 117.16 1t60 s SER 188 Ca 0.05 -0.38 0.05 0.00 0.48 0.00 0.00 55.95 56.15 1t60 s SER 188 Cb -0.06 -0.67 -0.01 0.00 0.10 0.00 0.00 66.02 65.38 1t60 s SER 188 CO -0.00 0.27 -0.21 -0.36 0.98 0.00 0.00 173.24 173.91 1t60 s PHE 189 N -0.92 2.03 0.08 5.02 0.40 0.31 -4.97 117.98 119.93 1t60 s PHE 189 Ca 0.15 -0.58 0.04 0.00 -0.60 0.00 0.00 56.93 55.94 1t60 s PHE 189 Cb -0.11 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.05 1t60 s PHE 189 CO 0.05 -0.18 -0.12 -1.58 0.70 0.00 0.00 175.22 174.09 1t60 s TRP 190 N -0.09 1.11 0.37 0.36 0.52 -1.26 -0.87 118.94 119.08 1t60 s TRP 190 Ca -0.03 -0.52 -0.27 0.00 0.02 0.00 0.00 56.10 55.31 1t60 s TRP 190 Cb -0.12 -0.62 -0.09 0.00 -1.15 0.00 0.00 33.47 31.49 1t60 s TRP 190 CO 0.03 0.03 1.24 -0.51 0.02 0.00 0.00 176.95 177.75 1t60 s LEU 191 N -1.95 4.29 0.55 2.99 1.43 -0.82 -4.89 118.68 120.29 1t60 s LEU 191 Ca -0.01 2.52 -0.04 0.00 -1.03 0.00 0.00 54.13 55.58 1t60 s LEU 191 Cb -0.08 -3.86 0.01 0.00 0.03 0.00 0.00 46.19 42.29 1t60 s LEU 191 CO 0.01 -0.65 0.83 0.42 0.23 0.00 0.00 176.35 177.20 1t60 s THR 192 N -1.28 3.58 -0.01 5.49 -4.23 -1.26 -0.75 115.64 117.19 1t60 s THR 192 Ca 0.54 -0.21 -0.18 0.00 -1.18 0.00 0.00 61.69 60.66 1t60 s THR 192 Cb -0.35 -3.39 -0.06 0.00 1.34 0.00 0.00 72.50 70.04 1t60 s THR 192 CO 0.45 -0.36 0.50 0.42 -0.54 0.00 0.00 174.62 175.10 1t60 s THR 193 N -2.86 4.96 -0.16 3.99 -4.23 -0.87 -4.18 115.64 112.28 1t60 s THR 193 Ca 0.53 1.05 0.01 0.00 -1.18 0.00 0.00 61.69 62.10 1t60 s THR 193 Cb -0.10 -3.83 0.01 0.00 1.34 0.00 0.00 72.50 69.92 1t60 s THR 193 CO 0.42 0.48 -0.19 -0.63 -0.54 0.00 0.00 174.62 174.17 1t60 s ILE 194 N -0.53 2.26 0.07 2.99 1.01 0.53 -4.89 121.20 122.63 1t60 s ILE 194 Ca 0.27 -0.89 -0.27 0.00 0.00 0.00 0.00 60.65 59.76 1t60 s ILE 194 Cb -0.17 -1.94 -0.17 0.00 0.01 0.00 0.00 42.46 40.19 1t60 s ILE 194 CO 0.15 0.53 1.61 -0.65 0.00 0.00 0.00 174.94 176.58 1t60 h PRO 195 N 7.63 -0.33 -6.36 2.79 0.11 -1.98 -3.44 132.00 130.42 1t60 h PRO 195 Ca -0.39 0.02 -0.55 0.00 0.11 0.00 0.00 66.00 65.19 1t60 h PRO 195 Cb 1.17 0.08 0.21 0.00 0.11 0.00 0.00 31.00 32.57 1t60 h PRO 195 CO 0.60 -0.17 -1.09 0.39 -0.21 0.00 0.00 178.00 177.52 1t60 n GLU 196 N -5.21 -0.01 -0.10 1.05 4.71 -1.26 -4.89 120.64 114.93 1t60 n GLU 196 Ca -0.10 0.02 -0.14 0.00 -0.01 0.00 0.00 57.16 56.94 1t60 n GLU 196 Cb 0.18 -1.42 -0.03 0.00 -1.01 0.00 0.00 31.44 29.16 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 -0.88 0.87 0.00 3.49 -0.00 -2.01 -3.44 115.11 113.14 1t60 h GLN 197 Ca -0.44 -0.50 0.00 0.00 -0.00 0.00 0.00 58.65 57.72 1t60 h GLN 197 Cb 1.33 0.04 0.00 0.00 0.00 0.00 0.00 27.48 28.84 1t60 h GLN 197 CO 0.33 1.14 0.00 -1.13 0.00 0.00 0.00 178.83 179.17 1t60 n SER 198 N -4.08 0.00 -4.04 -0.69 3.41 -1.26 -5.09 113.62 101.87 1t60 n SER 198 Ca -0.03 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.26 1t60 n SER 198 Cb 0.56 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.36 1t60 n SER 198 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1t60 s PHE 199 N -1.00 2.96 -0.00 7.33 5.36 -1.26 -5.11 117.98 126.26 1t60 s PHE 199 Ca 0.00 -2.09 -0.16 0.00 -0.96 0.00 0.00 56.93 53.72 1t60 s PHE 199 Cb 0.00 -1.82 -0.06 0.00 -0.34 0.00 0.00 43.02 40.80 1t60 s PHE 199 CO 0.00 -0.84 0.44 -1.14 -1.46 0.00 0.00 175.22 172.22 1t60 s GLN 200 N 1.21 4.01 0.00 10.12 0.74 -1.26 -4.88 119.66 129.60 1t60 s GLN 200 Ca -0.07 0.46 0.00 0.00 0.05 0.00 0.00 55.36 55.80 1t60 s GLN 200 Cb -0.19 -3.25 0.00 0.00 1.10 0.00 0.00 33.01 30.67 1t60 s GLN 200 CO -0.06 0.62 0.00 0.41 -0.55 0.00 0.00 175.29 175.71 1t60 n GLY 201 N 1.97 0.53 3.67 2.59 0.00 -1.26 -4.91 105.19 107.78 1t60 n GLY 201 Ca -0.13 -1.84 -0.66 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.22 0.00 -2.04 2.61 -1.04 -1.26 -4.83 114.28 107.50 1t60 n THR 202 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 1t60 n THR 202 Cb 0.00 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 1t60 n THR 202 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1t60 s PRO 203 N 2.73 3.72 -0.52 -2.82 0.02 -1.26 -4.98 135.00 131.89 1t60 s PRO 203 Ca 1.02 2.08 -0.17 0.00 0.02 0.00 0.00 61.00 63.95 1t60 s PRO 203 Cb -1.46 -2.55 0.09 0.00 0.02 0.00 0.00 34.50 30.61 1t60 s PRO 203 CO 0.79 -0.68 0.53 -1.12 -0.33 0.00 0.00 177.00 176.19 1t60 s SER 204 N -0.95 6.18 0.38 2.53 0.01 -1.26 -5.04 113.70 115.55 1t60 s SER 204 Ca 0.62 -1.40 -0.26 0.00 1.31 0.00 0.00 55.95 56.21 1t60 s SER 204 Cb -0.36 -2.23 -0.11 0.00 0.21 0.00 0.00 66.02 63.52 1t60 s SER 204 CO 0.45 -0.84 1.23 0.00 0.41 0.00 0.00 173.24 174.49 1t60 n ALA 205 N 5.61 1.05 -3.22 1.44 0.00 -1.26 -5.01 120.51 119.12 1t60 n ALA 205 Ca -0.11 0.31 -0.13 0.00 0.00 0.00 0.00 53.44 53.50 1t60 n ALA 205 Cb 0.43 -2.22 -0.05 0.00 0.00 0.00 0.00 19.45 17.60 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 -0.47 -0.37 -0.17 0.00 -1.08 -1.26 -5.14 116.67 108.18 1t60 s ASP 206 Ca 0.59 0.04 0.01 0.00 -0.52 0.00 0.00 52.55 52.67 1t60 s ASP 206 Cb -0.55 0.47 0.02 0.00 -1.46 0.00 0.00 42.92 41.40 1t60 s ASP 206 CO 0.60 -0.73 -0.19 -0.89 0.52 0.00 0.00 175.17 174.47 1t60 s THR 207 N -2.72 1.96 -0.22 1.71 2.01 -1.26 -5.11 115.64 112.01 1t60 s THR 207 Ca -0.04 -0.88 -0.07 0.00 0.31 0.00 0.00 61.69 61.01 1t60 s THR 207 Cb -0.00 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 1t60 s THR 207 CO -0.04 0.52 0.06 -0.76 -0.69 0.00 0.00 174.62 173.71 1t60 s LEU 208 N 1.33 3.51 -0.10 4.42 1.43 -1.26 -5.09 118.68 122.91 1t60 s LEU 208 Ca 0.05 -0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 52.93 1t60 s LEU 208 Cb -0.13 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1t60 s LEU 208 CO -0.13 0.03 0.19 -0.75 0.23 0.00 0.00 176.35 175.93 1t60 s LYS 209 N 1.20 3.58 -0.25 1.70 2.47 -1.26 -4.84 119.74 122.34 1t60 s LYS 209 Ca 0.04 -0.03 -0.03 0.00 -1.56 0.00 0.00 55.97 54.39 1t60 s LYS 209 Cb -0.14 -3.21 -0.08 0.00 -1.46 0.00 0.00 37.83 32.94 1t60 s LYS 209 CO 0.03 0.73 0.56 0.00 0.16 0.00 0.00 175.35 176.83 1t60 n ALA 210 N 2.06 0.24 0.00 3.13 0.00 -1.26 -2.09 120.51 122.59 1t60 n ALA 210 Ca -0.19 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1t60 n ALA 210 Cb 0.54 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 1.42 2.52 1.57 0.00 0.00 -1.26 -4.91 105.19 104.53 1t60 n GLY 211 Ca 0.17 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 46.01 1t60 n GLY 211 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t60 n LEU 212 N 0.00 4.66 -0.06 0.99 7.99 -0.89 -4.53 117.00 125.16 1t60 n LEU 212 Ca 0.00 -2.35 -0.02 0.00 -0.01 0.00 0.00 56.01 53.64 1t60 n LEU 212 Cb 0.00 -0.57 -0.01 0.00 -0.11 0.00 0.00 43.42 42.73 1t60 n LEU 212 CO 0.00 0.86 -0.09 0.40 -1.51 0.00 0.00 177.39 177.06 1t60 h ILE 213 N 4.23 0.04 -1.44 -0.08 2.04 -1.89 -3.38 117.51 117.03 1t60 h ILE 213 Ca 0.00 -1.03 0.48 0.00 1.00 0.00 0.00 64.86 65.31 1t60 h ILE 213 Cb 1.37 0.08 -0.13 0.00 -0.74 0.00 0.00 36.82 37.40 1t60 h ILE 213 CO 0.18 0.01 0.95 -0.09 0.00 0.00 0.00 178.15 179.20 1t60 h ARG 214 N -1.00 0.02 0.00 2.37 1.12 -1.96 0.87 114.38 115.80 1t60 h ARG 214 Ca -0.00 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1t60 h ARG 214 Cb 0.16 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.12 1t60 h ARG 214 CO -0.00 0.01 0.00 -2.37 -3.11 0.00 0.00 179.97 174.50 1t60 n THR 215 N -4.63 0.57 0.96 0.20 5.66 -1.26 -3.04 114.28 112.74 1t60 n THR 215 Ca 0.40 -0.04 0.11 0.00 -3.05 0.00 0.00 64.05 61.47 1t60 n THR 215 Cb 1.60 -0.75 0.03 0.00 -1.55 0.00 0.00 70.33 69.66 1t60 n THR 215 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 1t60 n HIS 216 N -2.01 0.00 -3.52 1.09 8.25 0.30 -4.74 115.22 114.59 1t60 n HIS 216 Ca 0.05 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.13 1t60 n HIS 216 Cb 0.33 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.35 1t60 n HIS 216 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1t60 s ILE 217 N -2.21 5.27 0.52 1.59 -1.09 -1.17 -2.05 121.20 122.05 1t60 s ILE 217 Ca 0.21 0.35 -0.22 0.00 -2.23 0.00 0.00 60.65 58.77 1t60 s ILE 217 Cb 0.18 -3.60 -0.07 0.00 -1.58 0.00 0.00 42.46 37.40 1t60 s ILE 217 CO 0.45 0.25 1.15 -0.24 -1.23 0.00 0.00 174.94 175.32 1t60 n SER 218 N 4.88 1.79 -4.86 3.58 2.88 0.07 -4.70 113.62 117.25 1t60 n SER 218 Ca -0.12 0.95 -0.23 0.00 -1.33 0.00 0.00 58.87 58.14 1t60 n SER 218 Cb 0.52 -1.46 -0.04 0.00 -0.75 0.00 0.00 64.21 62.47 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 -2.57 3.07 0.17 -1.46 1.81 -1.14 -1.75 118.95 117.09 1t60 s ARG 219 Ca 0.70 -0.90 -0.07 0.00 -1.72 0.00 0.00 55.73 53.73 1t60 s ARG 219 Cb -0.46 -2.69 -0.02 0.00 -0.45 0.00 0.00 34.95 31.34 1t60 s ARG 219 CO 0.51 0.44 0.24 0.00 -0.68 0.00 0.00 175.30 175.81 1t60 s GLN 221 N -4.02 0.07 -0.21 0.00 0.74 -0.62 -0.66 119.66 114.97 1t60 s GLN 221 Ca 0.22 0.20 -0.14 0.00 0.05 0.00 0.00 55.36 55.70 1t60 s GLN 221 Cb 0.04 -0.07 -0.04 0.00 1.10 0.00 0.00 33.01 34.04 1t60 s GLN 221 CO 0.03 -0.08 0.30 0.08 -0.55 0.00 0.00 175.29 175.07 1t60 s VAL 222 N 0.54 5.27 0.10 1.34 1.01 0.22 -1.37 120.40 127.51 1t60 s VAL 222 Ca -0.04 0.51 0.09 0.00 0.00 0.00 0.00 61.98 62.54 1t60 s VAL 222 Cb -0.06 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1t60 s VAL 222 CO -0.02 0.30 -0.23 0.00 0.00 0.00 0.00 175.10 175.15 1t60 s MET 224 N -1.79 1.50 0.32 0.00 1.75 0.34 -0.62 119.30 120.80 1t60 s MET 224 Ca 0.10 -0.63 -0.29 0.00 -1.25 0.00 0.00 55.69 53.62 1t60 s MET 224 Cb -0.10 -1.42 -0.12 0.00 2.84 0.00 0.00 34.83 36.03 1t60 s MET 224 CO 0.04 0.36 1.44 1.17 -0.65 0.00 0.00 175.02 177.38 1t60 n LYS 225 N 2.74 2.41 -0.08 4.11 4.81 -1.23 0.13 118.16 131.04 1t60 n LYS 225 Ca -0.15 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 1t60 n LYS 225 Cb 0.54 -2.53 0.00 0.00 0.02 0.00 0.00 35.03 33.05 1t60 n LYS 225 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66