#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t60 n TYR 5 N 0.00 0.64 -3.60 1.61 4.19 -1.20 -4.68 117.16 114.12 1t60 n TYR 5 Ca 0.00 0.62 -0.40 0.00 3.31 0.00 0.00 57.90 61.43 1t60 n TYR 5 Cb 0.00 -2.15 -0.10 0.00 0.49 0.00 0.00 39.34 37.57 1t60 n TYR 5 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1t60 s LEU 6 N 0.50 4.98 -0.13 2.98 1.43 -1.26 -0.44 118.68 126.74 1t60 s LEU 6 Ca 0.62 -1.29 -0.24 0.00 -1.03 0.00 0.00 54.13 52.19 1t60 s LEU 6 Cb -0.62 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 1t60 s LEU 6 CO 0.58 -0.48 0.77 -0.22 0.23 0.00 0.00 176.35 177.23 1t60 s LEU 7 N 1.48 4.23 -0.16 1.79 2.96 0.65 -4.77 118.68 124.87 1t60 s LEU 7 Ca 0.02 1.17 -0.03 0.00 -0.22 0.00 0.00 54.13 55.08 1t60 s LEU 7 Cb -0.21 -3.16 -0.02 0.00 0.50 0.00 0.00 46.19 43.29 1t60 s LEU 7 CO 0.04 -0.28 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.04 1t60 s VAL 8 N 1.60 3.57 -0.04 1.68 1.01 -1.26 -0.22 120.40 126.73 1t60 s VAL 8 Ca 0.38 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.96 1t60 s VAL 8 Cb -0.17 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 1t60 s VAL 8 CO 0.15 0.49 -0.24 -0.54 0.00 0.00 0.00 175.10 174.96 1t60 s LYS 9 N 0.53 2.28 -0.19 2.72 1.02 -0.54 -4.89 119.74 120.68 1t60 s LYS 9 Ca -0.05 -0.86 -0.01 0.00 0.02 0.00 0.00 55.97 55.07 1t60 s LYS 9 Cb -0.15 -2.01 0.01 0.00 -0.52 0.00 0.00 37.83 35.15 1t60 s LYS 9 CO 0.03 0.41 -0.13 -1.01 -0.92 0.00 0.00 175.35 173.73 1t60 s HIS 10 N -0.26 2.85 0.21 3.18 3.76 -1.26 -0.92 115.29 122.84 1t60 s HIS 10 Ca 0.00 -1.27 0.16 0.00 -0.15 0.00 0.00 55.06 53.81 1t60 s HIS 10 Cb -0.12 -1.99 0.59 0.00 1.11 0.00 0.00 32.58 32.16 1t60 s HIS 10 CO 0.02 -0.65 1.70 0.66 -0.85 0.00 0.00 174.74 175.62 1t60 h SER 11 N 7.91 0.00 -0.98 1.40 4.64 -0.81 -3.47 113.55 122.24 1t60 h SER 11 Ca -0.42 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.54 1t60 h SER 11 Cb 1.16 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.11 1t60 h SER 11 CO 0.61 0.45 -0.34 0.00 -0.87 0.00 0.00 176.83 176.69 1t60 n GLN 12 N -3.64 -1.24 -4.24 4.77 6.02 -1.26 -4.94 117.38 112.85 1t60 n GLN 12 Ca -0.01 1.10 -0.18 0.00 -0.01 0.00 0.00 57.00 57.90 1t60 n GLN 12 Cb 0.54 -5.36 -0.07 0.00 1.02 0.00 0.00 30.24 26.36 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 -2.67 0.00 -1.33 5.09 -4.23 -1.26 -4.09 115.64 107.15 1t60 s THR 13 Ca 0.00 -1.92 0.10 0.00 -1.18 0.00 0.00 61.69 58.68 1t60 s THR 13 Cb 0.00 -2.53 0.38 0.00 1.34 0.00 0.00 72.50 71.70 1t60 s THR 13 CO 0.00 0.00 1.22 -0.90 -0.54 0.00 0.00 174.62 174.40 1t60 n ASP 14 N -1.44 2.75 -4.63 3.99 5.68 -1.26 -1.81 116.55 119.83 1t60 n ASP 14 Ca 0.06 -2.24 -0.34 0.00 -0.50 0.00 0.00 54.79 51.78 1t60 n ASP 14 Cb 0.62 -0.42 -0.10 0.00 -1.14 0.00 0.00 41.12 40.08 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 -1.69 2.80 0.27 0.11 -1.52 -1.26 -4.88 119.66 113.48 1t60 s GLN 15 Ca 0.27 -0.54 -0.29 0.00 -1.95 0.00 0.00 55.36 52.85 1t60 s GLN 15 Cb 0.17 -2.65 -0.10 0.00 -0.22 0.00 0.00 33.01 30.22 1t60 s GLN 15 CO 0.13 0.66 1.29 -1.21 -0.25 0.00 0.00 175.29 175.91 1t60 s GLU 16 N -1.04 4.40 0.52 2.91 2.02 -1.26 -4.46 118.70 121.79 1t60 s GLU 16 Ca 0.15 2.10 -0.18 0.00 0.02 0.00 0.00 54.97 57.05 1t60 s GLU 16 Cb -0.11 -3.14 -0.07 0.00 0.10 0.00 0.00 34.13 30.91 1t60 s GLU 16 CO 0.04 -0.17 1.03 -1.25 0.02 0.00 0.00 175.26 174.93 1t60 s PRO 17 N -0.99 3.68 0.05 0.39 0.04 -1.26 -5.01 135.00 131.91 1t60 s PRO 17 Ca 0.52 1.25 -0.21 0.00 0.04 0.00 0.00 61.00 62.60 1t60 s PRO 17 Cb -0.38 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.02 1t60 s PRO 17 CO 0.45 -0.51 0.62 -1.64 0.04 0.00 0.00 177.00 175.95 1t60 s MET 18 N -3.61 4.31 0.42 4.56 -1.94 -1.26 -4.66 119.30 117.12 1t60 s MET 18 Ca 0.65 0.81 -0.24 0.00 -1.71 0.00 0.00 55.69 55.19 1t60 s MET 18 Cb -0.15 -3.30 -0.08 0.00 2.01 0.00 0.00 34.83 33.31 1t60 s MET 18 CO 0.26 0.49 1.15 0.00 -0.01 0.00 0.00 175.02 176.92 1t60 n PRO 20 N -0.09 -2.14 -1.34 0.00 -0.02 -1.26 -4.70 135.00 125.45 1t60 n PRO 20 Ca 0.05 -0.61 -0.46 0.00 -2.02 0.00 0.00 63.50 60.47 1t60 n PRO 20 Cb 0.47 -1.82 -0.13 0.00 -0.02 0.00 0.00 33.50 32.00 1t60 n PRO 20 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1t60 n VAL 21 N -4.70 0.00 -3.68 -1.45 3.14 -1.26 -0.74 118.33 109.64 1t60 n VAL 21 Ca 0.02 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.16 1t60 n VAL 21 Cb 0.58 -0.48 0.06 0.00 -1.06 0.00 0.00 33.84 32.95 1t60 n VAL 21 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1t60 n GLY 22 N 6.53 -0.45 3.19 7.55 0.00 -1.26 -4.97 105.19 115.78 1t60 n GLY 22 Ca 0.59 0.19 -0.36 0.00 0.00 0.00 0.00 46.02 46.43 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 -6.17 2.39 -0.32 1.61 1.00 0.08 -5.00 119.30 112.89 1t60 s MET 23 Ca 0.40 -1.39 -0.39 0.00 0.00 0.00 0.00 55.69 54.30 1t60 s MET 23 Cb -0.19 -3.39 -0.15 0.00 0.00 0.00 0.00 34.83 31.11 1t60 s MET 23 CO 0.77 -0.76 1.91 0.09 0.00 0.00 0.00 175.02 177.03 1t60 n ASN 24 N 4.68 2.19 -4.57 3.03 3.02 -1.20 -4.55 115.26 117.87 1t60 n ASN 24 Ca -0.10 0.85 -0.43 0.00 -0.03 0.00 0.00 54.58 54.88 1t60 n ASN 24 Cb 0.43 -1.15 -0.03 0.00 -0.61 0.00 0.00 39.78 38.42 1t60 n ASN 24 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1t60 s LYS 25 N 4.55 3.49 0.14 3.52 2.20 -1.26 0.12 119.74 132.49 1t60 s LYS 25 Ca 1.04 0.14 -0.11 0.00 -0.36 0.00 0.00 55.97 56.68 1t60 s LYS 25 Cb -1.05 -4.01 -0.06 0.00 -1.51 0.00 0.00 37.83 31.21 1t60 s LYS 25 CO 0.61 -1.57 1.44 -0.07 -0.36 0.00 0.00 175.35 175.40 1t60 h LEU 26 N 11.51 0.97 -7.00 5.43 4.07 -1.05 -3.48 115.31 125.76 1t60 h LEU 26 Ca -0.25 -0.49 0.30 0.00 0.08 0.00 0.00 57.88 57.51 1t60 h LEU 26 Cb 1.06 -0.28 -0.20 0.00 1.08 0.00 0.00 40.66 42.33 1t60 h LEU 26 CO 1.14 1.29 0.90 -1.66 -1.08 0.00 0.00 178.44 179.04 1t60 s TRP 27 N -4.21 -0.07 0.32 1.13 -2.14 -1.21 -5.02 118.94 107.75 1t60 s TRP 27 Ca -0.11 0.04 0.10 0.00 2.66 0.00 0.00 56.10 58.79 1t60 s TRP 27 Cb 0.11 0.51 -0.06 0.00 -3.10 0.00 0.00 33.47 30.93 1t60 s TRP 27 CO 0.89 -0.10 -0.08 -1.12 -2.66 0.00 0.00 176.95 173.87 1t60 s SER 28 N -2.11 3.90 0.00 -2.66 0.01 -1.26 -1.12 113.70 110.47 1t60 s SER 28 Ca 0.11 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.32 1t60 s SER 28 Cb -0.01 -0.44 0.00 0.00 0.21 0.00 0.00 66.02 65.78 1t60 s SER 28 CO -0.03 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1t60 n GLY 29 N -0.81 1.85 3.48 3.44 0.00 -0.67 -4.40 105.19 108.08 1t60 n GLY 29 Ca -0.05 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.45 2.81 -0.64 1.61 1.51 0.12 -1.59 117.35 119.72 1t60 s TYR 30 Ca 0.00 -0.23 -0.26 0.00 -1.01 0.00 0.00 57.07 55.57 1t60 s TYR 30 Cb 0.00 -1.72 -0.05 0.00 -0.11 0.00 0.00 41.96 40.08 1t60 s TYR 30 CO 0.00 0.12 2.11 -1.12 -1.11 0.00 0.00 175.55 175.55 1t60 s SER 31 N -0.43 4.83 -0.21 2.29 0.01 -0.12 -1.88 113.70 118.18 1t60 s SER 31 Ca 0.06 0.39 -0.21 0.00 1.31 0.00 0.00 55.95 57.50 1t60 s SER 31 Cb -0.12 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 1t60 s SER 31 CO 0.02 -2.76 0.64 -0.22 0.41 0.00 0.00 173.24 171.33 1t60 s LEU 32 N 10.86 4.12 -0.15 2.44 2.96 0.31 -1.19 118.68 138.03 1t60 s LEU 32 Ca 0.80 0.82 -0.11 0.00 -0.22 0.00 0.00 54.13 55.41 1t60 s LEU 32 Cb -0.13 -2.90 -0.04 0.00 0.50 0.00 0.00 46.19 43.62 1t60 s LEU 32 CO 0.18 -0.31 -0.20 -0.11 -1.32 0.00 0.00 176.35 174.59 1t60 n LEU 33 N 5.24 1.84 -3.52 -0.68 7.94 -0.19 -4.65 117.00 122.99 1t60 n LEU 33 Ca -0.01 0.57 -0.11 0.00 -1.11 0.00 0.00 56.01 55.35 1t60 n LEU 33 Cb 0.49 -0.85 -0.02 0.00 0.53 0.00 0.00 43.42 43.58 1t60 n LEU 33 CO 0.44 -0.40 0.43 -0.72 -1.11 0.00 0.00 177.39 176.03 1t60 s TYR 34 N -2.38 -0.45 0.18 1.96 1.13 -1.03 -1.69 117.35 115.06 1t60 s TYR 34 Ca -0.18 0.20 0.06 0.00 -1.41 0.00 0.00 57.07 55.74 1t60 s TYR 34 Cb 0.03 0.59 -0.04 0.00 -1.10 0.00 0.00 41.96 41.44 1t60 s TYR 34 CO 0.28 -0.91 0.08 -0.06 -2.51 0.00 0.00 175.55 172.43 1t60 s PHE 35 N -3.74 3.01 -0.20 -3.49 0.08 -0.34 -0.72 117.98 112.58 1t60 s PHE 35 Ca 0.03 -0.08 -0.01 0.00 0.12 0.00 0.00 56.93 57.00 1t60 s PHE 35 Cb -0.02 -1.44 0.05 0.00 -0.57 0.00 0.00 43.02 41.04 1t60 s PHE 35 CO -0.09 0.52 -0.02 -2.00 -0.10 0.00 0.00 175.22 173.54 1t60 s GLU 36 N -3.12 1.16 -0.11 0.44 2.12 -0.45 -0.84 118.70 117.90 1t60 s GLU 36 Ca 0.30 -0.62 0.03 0.00 0.36 0.00 0.00 54.97 55.04 1t60 s GLU 36 Cb -0.09 -2.21 0.01 0.00 0.26 0.00 0.00 34.13 32.09 1t60 s GLU 36 CO 0.22 -0.57 -0.21 0.20 -0.54 0.00 0.00 175.26 174.36 1t60 s GLY 37 N 1.66 1.25 -1.34 -1.50 0.00 -0.80 -2.28 107.32 104.30 1t60 s GLY 37 Ca -0.02 -0.92 -0.04 0.00 0.00 0.00 0.00 44.72 43.74 1t60 s GLY 37 CO -0.07 -0.11 0.87 -1.06 0.00 0.00 0.00 173.10 172.73 1t60 n GLN 38 N 3.82 -5.73 -4.42 2.90 1.13 -1.26 -1.86 117.38 111.96 1t60 n GLN 38 Ca -0.20 0.68 -0.36 0.00 -1.94 0.00 0.00 57.00 55.18 1t60 n GLN 38 Cb 0.52 -5.46 -0.09 0.00 0.11 0.00 0.00 30.24 25.32 1t60 n GLN 38 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1t60 n GLU 39 N -4.42 -0.87 -3.84 -1.09 0.28 -1.26 -4.95 120.64 104.49 1t60 n GLU 39 Ca -0.19 0.12 -0.24 0.00 -0.16 0.00 0.00 57.16 56.69 1t60 n GLU 39 Cb 0.63 -4.12 -0.17 0.00 1.43 0.00 0.00 31.44 29.21 1t60 n GLU 39 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1t60 s LYS 40 N -7.32 0.95 0.34 3.44 2.36 -0.77 -4.93 119.74 113.80 1t60 s LYS 40 Ca 0.39 -0.03 -0.26 0.00 -2.55 0.00 0.00 55.97 53.52 1t60 s LYS 40 Cb -0.23 -1.19 -0.10 0.00 -1.05 0.00 0.00 37.83 35.27 1t60 s LYS 40 CO 1.01 -0.28 0.98 0.00 1.55 0.00 0.00 175.35 178.61 1t60 s ALA 41 N 1.84 3.20 -0.20 3.13 0.00 -1.26 -1.90 121.76 126.57 1t60 s ALA 41 Ca 0.04 0.59 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 1t60 s ALA 41 Cb -0.12 -3.21 0.06 0.00 0.00 0.00 0.00 23.12 19.84 1t60 s ALA 41 CO -0.06 0.07 0.03 -1.58 0.00 0.00 0.00 175.76 174.22 1t60 s HIS 42 N -1.59 1.08 0.40 0.00 2.46 -0.02 -4.97 115.29 112.65 1t60 s HIS 42 Ca 0.51 -0.89 -0.03 0.00 0.47 0.00 0.00 55.06 55.12 1t60 s HIS 42 Cb -0.20 -1.05 -0.04 0.00 -0.13 0.00 0.00 32.58 31.16 1t60 s HIS 42 CO 0.26 -0.62 0.66 -0.80 -2.47 0.00 0.00 174.74 171.77 1t60 s ASN 43 N 1.84 6.31 -0.09 9.88 0.01 -1.26 -1.20 114.94 130.42 1t60 s ASN 43 Ca -0.01 0.71 0.04 0.00 -0.71 0.00 0.00 52.86 52.89 1t60 s ASN 43 Cb -0.17 -2.15 -0.01 0.00 0.41 0.00 0.00 41.25 39.33 1t60 s ASN 43 CO -0.08 -0.41 -0.23 -1.10 -1.51 0.00 0.00 177.10 173.78 1t60 s GLN 44 N -4.38 2.95 -0.09 -0.60 -1.52 -0.68 -4.98 119.66 110.36 1t60 s GLN 44 Ca 0.44 -0.86 -0.29 0.00 -1.95 0.00 0.00 55.36 52.70 1t60 s GLN 44 Cb -0.10 -2.31 -0.06 0.00 -0.22 0.00 0.00 33.01 30.32 1t60 s GLN 44 CO 0.39 0.25 1.83 0.34 -0.25 0.00 0.00 175.29 177.85 1t60 s ASP 45 N 0.18 6.34 0.19 5.90 -1.08 -1.26 -4.79 116.67 122.15 1t60 s ASP 45 Ca -0.13 2.18 0.12 0.00 -0.52 0.00 0.00 52.55 54.20 1t60 s ASP 45 Cb -0.16 -2.53 0.63 0.00 -1.46 0.00 0.00 42.92 39.40 1t60 s ASP 45 CO 0.07 -1.20 1.33 0.18 0.52 0.00 0.00 175.17 176.06 1t60 n LEU 46 N 8.27 0.30 -0.91 -1.34 4.77 -1.26 -0.44 117.00 126.39 1t60 n LEU 46 Ca 0.20 0.61 0.12 0.00 -0.03 0.00 0.00 56.01 56.92 1t60 n LEU 46 Cb 0.43 -0.64 0.15 0.00 -2.33 0.00 0.00 43.42 41.03 1t60 n LEU 46 CO 0.65 -0.71 0.66 0.61 -1.33 0.00 0.00 177.39 177.27 1t60 n GLY 47 N -1.36 0.91 3.62 -0.72 0.00 -1.26 -4.40 105.19 101.97 1t60 n GLY 47 Ca -0.01 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.98 3.16 0.63 0.99 1.43 0.41 -4.43 118.68 118.89 1t60 s LEU 48 Ca 0.29 -0.45 0.35 0.00 -1.03 0.00 0.00 54.13 53.30 1t60 s LEU 48 Cb 0.20 -1.85 1.99 0.00 0.03 0.00 0.00 46.19 46.56 1t60 s LEU 48 CO 0.30 0.11 2.23 0.00 0.23 0.00 0.00 176.35 179.22 1t60 h ALA 49 N 2.96 1.38 -0.02 4.21 0.00 -1.86 -1.53 119.26 124.40 1t60 h ALA 49 Ca -0.47 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.44 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 0.56 -0.11 0.02 0.78 0.00 0.00 0.00 179.25 180.50 1t60 h GLY 50 N 0.00 0.00 1.11 0.00 0.00 -1.95 -1.28 103.07 100.94 1t60 h GLY 50 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 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 -3.87 0.17 -4.09 0.19 3.41 -0.58 -4.49 113.62 104.37 1t60 n SER 51 Ca -0.03 -0.64 -0.36 0.00 -0.26 0.00 0.00 58.87 57.59 1t60 n SER 51 Cb 0.11 -0.12 -0.11 0.00 -0.26 0.00 0.00 64.21 63.83 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 0.61 4.14 0.28 0.00 2.96 -0.79 -4.79 118.68 121.09 1t60 s LEU 53 Ca 0.12 0.40 0.01 0.00 -0.22 0.00 0.00 54.13 54.44 1t60 s LEU 53 Cb -0.22 -2.74 0.58 0.00 0.50 0.00 0.00 46.19 44.32 1t60 s LEU 53 CO -0.04 -0.42 1.79 0.00 -1.32 0.00 0.00 176.35 176.36 1t60 h ALA 54 N 8.17 1.44 -3.21 5.97 0.00 -1.87 0.33 119.26 130.09 1t60 h ALA 54 Ca -0.27 0.06 -0.67 0.00 0.00 0.00 0.00 54.91 54.02 1t60 h ALA 54 Cb 1.13 -0.10 -0.33 0.00 0.00 0.00 0.00 17.79 18.49 1t60 h ALA 54 CO 0.77 0.03 -0.85 1.03 0.00 0.00 0.00 179.25 180.23 1t60 s ARG 55 N -5.94 3.09 0.54 0.00 0.52 -1.26 -4.55 118.95 111.34 1t60 s ARG 55 Ca -0.12 -0.82 -0.06 0.00 -0.52 0.00 0.00 55.73 54.21 1t60 s ARG 55 Cb 0.23 -2.49 -0.02 0.00 0.52 0.00 0.00 34.95 33.18 1t60 s ARG 55 CO 0.79 0.01 0.86 0.12 0.02 0.00 0.00 175.30 177.11 1t60 s PHE 56 N 0.77 3.49 -0.28 -0.53 2.19 -1.26 -4.96 117.98 117.40 1t60 s PHE 56 Ca -0.07 0.85 -0.27 0.00 0.33 0.00 0.00 56.93 57.76 1t60 s PHE 56 Cb -0.16 -2.49 0.19 0.00 -1.31 0.00 0.00 43.02 39.24 1t60 s PHE 56 CO -0.00 -0.50 1.36 0.45 1.83 0.00 0.00 175.22 178.36 1t60 s SER 57 N -4.17 -0.08 0.54 6.13 0.15 -1.26 -5.00 113.70 110.01 1t60 s SER 57 Ca 0.50 0.12 0.32 0.00 0.70 0.00 0.00 55.95 57.59 1t60 s SER 57 Cb -0.10 0.11 1.53 0.00 -1.71 0.00 0.00 66.02 65.85 1t60 s SER 57 CO 0.46 -0.05 2.07 0.71 1.20 0.00 0.00 173.24 177.64 1t60 h THR 58 N 2.60 0.33 -2.63 6.45 1.35 -1.92 -3.31 112.91 115.77 1t60 h THR 58 Ca -0.18 -0.51 -0.59 0.00 -0.55 0.00 0.00 66.41 64.58 1t60 h THR 58 Cb 1.19 1.38 -0.39 0.00 -1.73 0.00 0.00 68.15 68.60 1t60 h THR 58 CO 0.20 0.08 -0.85 -0.32 -0.25 0.00 0.00 175.52 174.39 1t60 s MET 59 N -3.98 0.84 0.00 4.72 -2.45 -1.26 -3.79 119.30 113.38 1t60 s MET 59 Ca -0.02 -1.71 0.25 0.00 -1.25 0.00 0.00 55.69 52.96 1t60 s MET 59 Cb 0.12 -1.61 1.18 0.00 1.25 0.00 0.00 34.83 35.77 1t60 s MET 59 CO 0.55 -1.24 1.80 -0.35 1.05 0.00 0.00 175.02 176.82 1t60 n PRO 60 N 3.60 1.41 -4.42 4.11 -0.04 -1.25 -4.92 135.00 133.49 1t60 n PRO 60 Ca 0.16 -0.60 -0.21 0.00 -0.04 0.00 0.00 63.50 62.81 1t60 n PRO 60 Cb 0.39 -1.43 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.94 1.78 0.20 0.54 -0.71 -1.26 -5.09 117.98 111.50 1t60 s PHE 61 Ca 0.37 -1.11 -0.01 0.00 -1.04 0.00 0.00 56.93 55.14 1t60 s PHE 61 Cb 0.19 -1.12 -0.04 0.00 -1.21 0.00 0.00 43.02 40.84 1t60 s PHE 61 CO 0.30 -0.18 0.12 -0.48 -1.34 0.00 0.00 175.22 173.64 1t60 s LEU 62 N -3.45 1.24 0.05 -1.99 0.05 -1.26 -4.54 118.68 108.77 1t60 s LEU 62 Ca 0.34 -1.37 -0.02 0.00 0.05 0.00 0.00 54.13 53.13 1t60 s LEU 62 Cb 0.07 0.35 -0.03 0.00 -2.05 0.00 0.00 46.19 44.53 1t60 s LEU 62 CO 0.15 -0.82 -0.00 -0.72 -0.55 0.00 0.00 176.35 174.40 1t60 s TYR 63 N -4.12 0.43 0.08 3.48 -0.85 -0.95 -4.99 117.35 110.43 1t60 s TYR 63 Ca 0.38 -0.92 0.03 0.00 -0.52 0.00 0.00 57.07 56.03 1t60 s TYR 63 Cb 0.07 -0.32 -0.03 0.00 0.38 0.00 0.00 41.96 42.06 1t60 s TYR 63 CO 0.11 -0.37 -0.08 0.00 -1.52 0.00 0.00 175.55 173.69 1t60 s ASN 65 N -2.35 3.82 0.66 0.00 2.20 -0.66 -5.00 114.94 113.61 1t60 s ASN 65 Ca 0.03 -1.22 0.28 0.00 -0.94 0.00 0.00 52.86 51.00 1t60 s ASN 65 Cb -0.03 -0.38 1.49 0.00 -2.00 0.00 0.00 41.25 40.34 1t60 s ASN 65 CO -0.01 -0.27 1.85 -0.65 -2.94 0.00 0.00 177.10 175.08 1t60 h PRO 66 N 1.93 0.00 0.00 3.55 0.11 -2.03 -1.65 132.00 133.92 1t60 h PRO 66 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 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 0.72 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.92 1t60 n GLY 67 N -1.27 -0.47 3.12 -0.55 0.00 -1.26 -4.79 105.19 99.96 1t60 n GLY 67 Ca -0.01 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 1t60 n GLY 67 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t60 n ASP 68 N -0.76 -3.92 -3.96 1.61 2.03 -0.62 -5.02 116.55 105.91 1t60 n ASP 68 Ca 0.06 -0.47 -0.18 0.00 0.52 0.00 0.00 54.79 54.72 1t60 n ASP 68 Cb 0.03 -4.26 -0.15 0.00 -0.72 0.00 0.00 41.12 36.01 1t60 n ASP 68 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1t60 s VAL 69 N -3.28 0.53 0.16 5.18 1.01 -1.23 -5.03 120.40 117.75 1t60 s VAL 69 Ca 0.26 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 62.09 1t60 s VAL 69 Cb -0.11 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1t60 s VAL 69 CO 0.60 0.17 -0.21 0.00 0.00 0.00 0.00 175.10 175.67 1t60 s TYR 71 N -1.78 1.28 -0.15 0.00 2.02 0.90 -4.98 117.35 114.64 1t60 s TYR 71 Ca 0.16 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.43 1t60 s TYR 71 Cb -0.07 -0.95 0.00 0.00 -0.40 0.00 0.00 41.96 40.54 1t60 s TYR 71 CO 0.07 -0.24 -0.18 -0.47 -1.57 0.00 0.00 175.55 173.17 1t60 s TYR 72 N 0.63 2.74 -1.66 2.71 6.14 -1.26 -2.23 117.35 124.41 1t60 s TYR 72 Ca -0.12 -1.11 -0.16 0.00 0.64 0.00 0.00 57.07 56.32 1t60 s TYR 72 Cb -0.15 -1.85 0.14 0.00 0.42 0.00 0.00 41.96 40.52 1t60 s TYR 72 CO 0.03 -0.50 0.74 0.00 0.64 0.00 0.00 175.55 176.46 1t60 n ALA 73 N 4.00 -1.36 -1.23 3.97 0.00 -1.26 -4.86 120.51 119.77 1t60 n ALA 73 Ca -0.19 -0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.29 1t60 n ALA 73 Cb 0.52 -3.25 0.17 0.00 0.00 0.00 0.00 19.45 16.89 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 -2.70 2.35 0.00 0.00 7.64 -1.26 -4.76 113.62 114.88 1t60 n SER 74 Ca 0.02 -3.34 0.00 0.00 1.01 0.00 0.00 58.87 56.56 1t60 n SER 74 Cb 0.52 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.24 0.00 -2.51 1.43 0.63 -1.26 -5.09 116.66 108.62 1t60 n ARG 75 Ca 0.18 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.12 1t60 n ARG 75 Cb 0.71 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.66 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 1.38 -4.81 6.15 4.05 -1.26 -4.85 115.26 115.92 1t60 n ASN 76 Ca 0.00 -2.02 -0.25 0.00 0.45 0.00 0.00 54.58 52.77 1t60 n ASN 76 Cb 0.00 -0.42 0.08 0.00 1.23 0.00 0.00 39.78 40.67 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 -3.33 4.65 0.38 1.20 -0.00 -1.26 -4.93 116.67 113.38 1t60 s ASP 77 Ca 0.28 0.14 -0.08 0.00 -0.00 0.00 0.00 52.55 52.89 1t60 s ASP 77 Cb 0.34 -0.72 0.03 0.00 -0.00 0.00 0.00 42.92 42.57 1t60 s ASP 77 CO -0.07 -1.66 0.65 -1.59 -0.00 0.00 0.00 175.17 172.50 1t60 s LYS 78 N -5.17 2.15 0.03 8.23 -2.85 -0.97 -2.21 119.74 118.95 1t60 s LYS 78 Ca 0.62 -1.65 -0.00 0.00 -1.00 0.00 0.00 55.97 53.94 1t60 s LYS 78 Cb -0.09 0.54 -0.02 0.00 -2.06 0.00 0.00 37.83 36.20 1t60 s LYS 78 CO 0.44 -0.96 -0.03 -1.54 0.10 0.00 0.00 175.35 173.36 1t60 s SER 79 N -3.18 0.33 -0.04 0.03 1.04 -0.89 -1.34 113.70 109.66 1t60 s SER 79 Ca 0.23 -0.61 0.04 0.00 0.48 0.00 0.00 55.95 56.09 1t60 s SER 79 Cb -0.03 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.20 1t60 s SER 79 CO 0.17 -0.36 -0.17 -0.31 0.98 0.00 0.00 173.24 173.55 1t60 s TYR 80 N -1.99 1.63 0.04 5.02 2.02 0.10 -0.78 117.35 123.39 1t60 s TYR 80 Ca -0.11 -0.43 0.03 0.00 -0.37 0.00 0.00 57.07 56.19 1t60 s TYR 80 Cb -0.06 -1.09 -0.02 0.00 -0.40 0.00 0.00 41.96 40.39 1t60 s TYR 80 CO -0.03 -0.13 -0.09 -1.58 -1.57 0.00 0.00 175.55 172.15 1t60 s TRP 81 N -0.05 0.80 0.55 2.71 0.52 -0.93 -1.02 118.94 121.52 1t60 s TRP 81 Ca -0.01 -0.44 -0.21 0.00 0.02 0.00 0.00 56.10 55.45 1t60 s TRP 81 Cb -0.10 -0.47 -0.05 0.00 -1.15 0.00 0.00 33.47 31.70 1t60 s TRP 81 CO 0.01 -0.04 1.33 -0.51 0.02 0.00 0.00 176.95 177.76 1t60 s LEU 82 N -1.43 3.83 0.49 2.99 1.43 -0.33 -0.59 118.68 125.06 1t60 s LEU 82 Ca -0.06 2.70 0.04 0.00 -1.03 0.00 0.00 54.13 55.78 1t60 s LEU 82 Cb -0.09 -4.32 -0.01 0.00 0.03 0.00 0.00 46.19 41.80 1t60 s LEU 82 CO 0.01 -1.56 0.16 -0.94 0.23 0.00 0.00 176.35 174.25 1t60 s SER 83 N -1.05 4.32 0.00 2.29 1.04 -0.41 -1.28 113.70 118.61 1t60 s SER 83 Ca 0.72 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1t60 s SER 83 Cb -0.39 0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1t60 s SER 83 CO 0.45 -0.82 0.00 0.35 0.98 0.00 0.00 173.24 174.20 1t60 n THR 84 N -1.38 0.00 0.27 2.02 -2.24 -0.66 -4.52 114.28 107.77 1t60 n THR 84 Ca -0.09 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.75 1t60 n THR 84 Cb 0.66 -0.93 0.22 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.84 1.03 -1.67 4.28 -2.24 -1.26 -4.94 114.28 108.64 1t60 n THR 85 Ca 0.00 -0.71 -0.41 0.00 -2.27 0.00 0.00 64.05 60.66 1t60 n THR 85 Cb 0.00 0.05 0.02 0.00 -2.10 0.00 0.00 70.33 68.30 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 0.67 0.88 -1.64 6.98 0.00 -1.26 -4.90 120.51 121.24 1t60 n ALA 86 Ca 0.16 0.23 -0.38 0.00 0.00 0.00 0.00 53.44 53.45 1t60 n ALA 86 Cb 0.56 -2.20 0.06 0.00 0.00 0.00 0.00 19.45 17.86 1t60 n ALA 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1t60 n PRO 87 N -0.06 0.96 -1.88 0.00 -0.04 -1.26 -4.89 135.00 127.83 1t60 n PRO 87 Ca 0.08 0.37 -0.42 0.00 -0.04 0.00 0.00 63.50 63.50 1t60 n PRO 87 Cb 0.40 -2.25 -0.03 0.00 -0.04 0.00 0.00 33.50 31.58 1t60 n PRO 87 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1t60 s LEU 88 N -2.52 3.45 0.67 1.53 1.98 -1.26 -4.96 118.68 117.57 1t60 s LEU 88 Ca 0.77 1.28 -0.16 0.00 -2.89 0.00 0.00 54.13 53.13 1t60 s LEU 88 Cb -0.41 -3.28 0.01 0.00 0.66 0.00 0.00 46.19 43.17 1t60 s LEU 88 CO 0.46 -1.97 1.18 -2.16 -1.89 0.00 0.00 176.35 171.97 1t60 s PRO 89 N 6.24 2.54 0.08 0.98 0.04 -1.26 -4.94 135.00 138.69 1t60 s PRO 89 Ca 0.84 1.69 -0.09 0.00 0.04 0.00 0.00 61.00 63.49 1t60 s PRO 89 Cb -0.23 -1.89 -0.23 0.00 0.04 0.00 0.00 34.50 32.20 1t60 s PRO 89 CO 0.31 -1.51 1.18 0.52 0.04 0.00 0.00 177.00 177.54 1t60 h MET 90 N 0.14 0.46 -5.40 4.56 2.86 -2.00 -3.46 114.93 112.07 1t60 h MET 90 Ca -0.48 -0.61 -0.41 0.00 -2.06 0.00 0.00 59.70 56.14 1t60 h MET 90 Cb 1.28 0.20 -0.15 0.00 0.06 0.00 0.00 31.60 33.00 1t60 h MET 90 CO 0.52 1.25 -0.73 -1.64 1.06 0.00 0.00 176.91 177.37 1t60 s MET 91 N -2.97 1.23 0.38 1.72 -1.94 -1.26 -5.12 119.30 111.33 1t60 s MET 91 Ca -0.07 -1.53 -0.26 0.00 -1.71 0.00 0.00 55.69 52.13 1t60 s MET 91 Cb 0.07 -0.95 -0.12 0.00 2.01 0.00 0.00 34.83 35.84 1t60 s MET 91 CO 0.90 0.15 1.08 -2.30 -0.01 0.00 0.00 175.02 174.84 1t60 n PRO 92 N -0.27 1.55 -3.45 2.03 -0.02 -1.26 -4.97 135.00 128.61 1t60 n PRO 92 Ca -0.09 0.55 -0.38 0.00 -2.02 0.00 0.00 63.50 61.56 1t60 n PRO 92 Cb 0.60 -2.08 -0.06 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.19 4.99 -0.02 -1.45 -7.23 -0.38 -4.90 120.40 110.22 1t60 s VAL 93 Ca 0.60 0.91 0.05 0.00 -1.81 0.00 0.00 61.98 61.73 1t60 s VAL 93 Cb -0.59 -3.75 -0.03 0.00 0.56 0.00 0.00 36.38 32.57 1t60 s VAL 93 CO 0.59 0.56 -0.14 0.00 -0.31 0.00 0.00 175.10 175.79 1t60 s ALA 94 N -0.98 2.68 0.00 1.32 0.00 -1.26 -1.88 121.76 121.64 1t60 s ALA 94 Ca 0.25 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1t60 s ALA 94 Cb -0.17 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.03 1t60 s ALA 94 CO 0.14 0.57 0.00 0.39 0.00 0.00 0.00 175.76 176.86 1t60 n GLU 95 N 2.00 0.00 -0.25 0.00 1.02 -1.03 -1.19 120.64 121.20 1t60 n GLU 95 Ca -0.17 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.18 1t60 n GLU 95 Cb 0.52 0.00 0.53 0.00 -0.02 0.00 0.00 31.44 32.47 1t60 n GLU 95 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1t60 h GLU 96 N 0.00 0.36 0.00 3.49 4.39 -1.96 0.12 114.58 120.99 1t60 h GLU 96 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1t60 h GLU 96 Cb 0.00 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1t60 h GLU 96 CO 0.00 0.24 0.00 -0.25 -1.16 0.00 0.00 179.01 177.84 1t60 n ASP 97 N -4.50 0.00 0.07 1.42 8.00 -0.33 -2.41 116.55 118.79 1t60 n ASP 97 Ca 0.20 0.46 -0.21 0.00 0.71 0.00 0.00 54.79 55.94 1t60 n ASP 97 Cb 0.74 -0.47 -0.12 0.00 -0.02 0.00 0.00 41.12 41.24 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 1.31 -0.94 0.53 2.04 -0.87 -3.39 117.51 116.20 1t60 h ILE 98 Ca 0.00 -2.36 0.24 0.00 1.00 0.00 0.00 64.86 63.74 1t60 h ILE 98 Cb 0.17 2.63 -0.18 0.00 -0.74 0.00 0.00 36.82 38.69 1t60 h ILE 98 CO 0.00 0.72 -0.05 -1.14 0.00 0.00 0.00 178.15 177.67 1t60 n ARG 99 N -3.87 -0.08 0.15 2.37 0.63 -1.01 -0.48 116.66 114.36 1t60 n ARG 99 Ca -0.13 1.42 0.11 0.00 -0.92 0.00 0.00 57.85 58.34 1t60 n ARG 99 Cb 0.92 -2.22 0.55 0.00 0.45 0.00 0.00 32.46 32.16 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 -5.43 0.16 0.03 -0.14 -0.02 -1.26 -2.72 135.00 125.61 1t60 n PRO 100 Ca 0.20 0.57 0.11 0.00 -2.02 0.00 0.00 63.50 62.36 1t60 n PRO 100 Cb 0.65 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 32.19 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 -2.25 0.26 -3.25 6.00 4.01 0.36 -4.59 117.16 117.71 1t60 n TYR 101 Ca -0.00 0.08 -0.39 0.00 -0.16 0.00 0.00 57.90 57.42 1t60 n TYR 101 Cb 0.10 -0.45 -0.07 0.00 -0.31 0.00 0.00 39.34 38.61 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 -3.24 5.11 0.48 -0.72 -1.09 -1.10 -1.65 121.20 118.99 1t60 s ILE 102 Ca 0.02 0.95 -0.23 0.00 -2.23 0.00 0.00 60.65 59.16 1t60 s ILE 102 Cb 0.14 -3.84 -0.07 0.00 -1.58 0.00 0.00 42.46 37.12 1t60 s ILE 102 CO 0.82 0.18 1.27 -0.55 -1.23 0.00 0.00 174.94 175.43 1t60 s SER 103 N 1.13 5.87 0.14 3.58 0.15 -0.40 -4.40 113.70 119.76 1t60 s SER 103 Ca 0.24 2.55 0.05 0.00 0.70 0.00 0.00 55.95 59.49 1t60 s SER 103 Cb -0.15 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.49 1t60 s SER 103 CO 0.10 -1.15 0.09 -0.13 1.20 0.00 0.00 173.24 173.35 1t60 s ARG 104 N -2.68 2.79 0.17 5.44 1.81 -0.75 -0.94 118.95 124.79 1t60 s ARG 104 Ca 0.65 -0.86 -0.01 0.00 -1.72 0.00 0.00 55.73 53.80 1t60 s ARG 104 Cb -0.35 -2.62 -0.04 0.00 -0.45 0.00 0.00 34.95 31.49 1t60 s ARG 104 CO 0.43 0.51 0.08 0.00 -0.68 0.00 0.00 175.30 175.63 1t60 s SER 106 N -3.12 -0.08 -0.25 0.00 0.01 -0.10 -1.67 113.70 108.49 1t60 s SER 106 Ca 0.30 0.20 -0.07 0.00 1.31 0.00 0.00 55.95 57.68 1t60 s SER 106 Cb 0.07 0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.44 1t60 s SER 106 CO 0.06 -0.07 0.07 -0.69 0.41 0.00 0.00 173.24 173.02 1t60 s VAL 107 N 0.40 4.28 -0.03 3.43 1.01 -0.27 -1.46 120.40 127.75 1t60 s VAL 107 Ca -0.03 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 61.83 1t60 s VAL 107 Cb -0.04 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 1t60 s VAL 107 CO -0.02 0.34 -0.23 0.00 0.00 0.00 0.00 175.10 175.20 1t60 s GLU 109 N -0.58 4.10 0.17 0.00 2.12 0.32 -0.25 118.70 124.57 1t60 s GLU 109 Ca 0.09 1.19 0.08 0.00 0.36 0.00 0.00 54.97 56.68 1t60 s GLU 109 Cb -0.11 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 1t60 s GLU 109 CO -0.00 -0.86 -0.04 0.00 -0.54 0.00 0.00 175.26 173.82 1t60 s ALA 110 N 3.64 3.11 0.36 6.30 0.00 0.42 -3.23 121.76 132.36 1t60 s ALA 110 Ca 0.47 -1.37 0.11 0.00 0.00 0.00 0.00 51.96 51.17 1t60 s ALA 110 Cb -0.14 -0.92 0.70 0.00 0.00 0.00 0.00 23.12 22.76 1t60 s ALA 110 CO 0.14 0.50 1.82 -1.00 0.00 0.00 0.00 175.76 177.23 1t60 h PRO 111 N 2.87 0.06 -4.13 0.00 0.13 -1.95 -3.18 132.00 125.81 1t60 h PRO 111 Ca -0.47 -0.02 -0.21 0.00 -0.87 0.00 0.00 66.00 64.43 1t60 h PRO 111 Cb 1.20 -0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 1t60 h PRO 111 CO 0.56 0.40 -0.29 0.00 -0.23 0.00 0.00 178.00 178.45 1t60 s ALA 112 N -4.26 0.60 0.49 -0.56 0.00 -1.26 -4.80 121.76 111.97 1t60 s ALA 112 Ca -0.03 -1.39 -0.22 0.00 0.00 0.00 0.00 51.96 50.33 1t60 s ALA 112 Cb 0.14 1.20 -0.07 0.00 0.00 0.00 0.00 23.12 24.40 1t60 s ALA 112 CO 0.73 -0.76 1.15 0.08 0.00 0.00 0.00 175.76 176.97 1t60 s VAL 113 N -3.66 3.13 0.06 0.00 1.01 -1.26 -4.65 120.40 115.03 1t60 s VAL 113 Ca 0.31 0.79 0.08 0.00 0.00 0.00 0.00 61.98 63.15 1t60 s VAL 113 Cb 0.01 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1t60 s VAL 113 CO 0.15 -0.07 -0.18 0.00 0.00 0.00 0.00 175.10 175.00 1t60 s ALA 114 N -1.63 2.61 0.19 5.51 0.00 -1.26 -3.34 121.76 123.83 1t60 s ALA 114 Ca 0.67 -1.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 1t60 s ALA 114 Cb -0.27 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 1t60 s ALA 114 CO 0.32 0.58 0.11 0.96 0.00 0.00 0.00 175.76 177.72 1t60 s ILE 115 N -0.98 0.08 0.00 0.00 -4.36 0.20 -4.75 121.20 111.40 1t60 s ILE 115 Ca 0.15 -1.98 0.08 0.00 -0.26 0.00 0.00 60.65 58.65 1t60 s ILE 115 Cb -0.10 -2.39 -0.02 0.00 1.25 0.00 0.00 42.46 41.19 1t60 s ILE 115 CO 0.06 -0.12 -0.26 0.00 0.24 0.00 0.00 174.94 174.86 1t60 s ALA 116 N -4.09 2.18 -0.01 2.27 0.00 -0.61 -0.40 121.76 121.10 1t60 s ALA 116 Ca 0.35 -1.17 0.07 0.00 0.00 0.00 0.00 51.96 51.21 1t60 s ALA 116 Cb 0.07 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 1t60 s ALA 116 CO 0.09 0.53 -0.21 0.14 0.00 0.00 0.00 175.76 176.31 1t60 s VAL 117 N -0.68 1.66 -0.04 0.00 -7.23 -0.65 -4.49 120.40 108.97 1t60 s VAL 117 Ca 0.11 -0.95 0.05 0.00 -1.81 0.00 0.00 61.98 59.38 1t60 s VAL 117 Cb -0.10 -1.39 -0.01 0.00 0.56 0.00 0.00 36.38 35.44 1t60 s VAL 117 CO 0.00 0.42 -0.21 -1.00 -0.31 0.00 0.00 175.10 174.01 1t60 s HIS 118 N -0.55 2.01 -0.12 2.82 3.76 -1.26 -1.89 115.29 120.07 1t60 s HIS 118 Ca 0.08 -0.55 0.17 0.00 -0.15 0.00 0.00 55.06 54.61 1t60 s HIS 118 Cb -0.08 -1.33 -0.22 0.00 1.11 0.00 0.00 32.58 32.06 1t60 s HIS 118 CO -0.00 -0.16 0.51 -1.13 -0.85 0.00 0.00 174.74 173.11 1t60 n SER 119 N 2.96 0.52 -3.58 1.40 3.41 -0.63 -4.96 113.62 112.73 1t60 n SER 119 Ca -0.17 0.24 -0.25 0.00 -0.26 0.00 0.00 58.87 58.42 1t60 n SER 119 Cb 0.53 0.53 0.07 0.00 -0.26 0.00 0.00 64.21 65.07 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 -2.83 -7.21 -3.80 4.33 6.02 -1.26 -4.90 117.38 107.73 1t60 n GLN 120 Ca -0.18 0.80 -0.10 0.00 -0.01 0.00 0.00 57.00 57.51 1t60 n GLN 120 Cb 0.97 -5.81 -0.06 0.00 1.02 0.00 0.00 30.24 26.37 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 -3.24 -0.09 0.50 1.08 2.15 -1.26 -0.43 116.67 115.37 1t60 s ASP 121 Ca 0.57 -0.58 0.29 0.00 0.43 0.00 0.00 52.55 53.26 1t60 s ASP 121 Cb -0.26 0.46 1.07 0.00 -0.30 0.00 0.00 42.92 43.89 1t60 s ASP 121 CO 0.70 -0.89 1.88 -0.37 -0.17 0.00 0.00 175.17 176.32 1t60 h VAL 122 N 2.45 0.19 -3.35 1.11 -1.51 -1.88 -3.14 116.25 110.11 1t60 h VAL 122 Ca -0.32 -0.80 -0.54 0.00 -1.23 0.00 0.00 66.70 63.82 1t60 h VAL 122 Cb 1.24 1.67 -0.01 0.00 -2.13 0.00 0.00 31.29 32.06 1t60 h VAL 122 CO 0.47 0.08 0.43 -0.44 -1.23 0.00 0.00 177.57 176.88 1t60 s SER 123 N -5.93 7.28 0.02 4.19 0.01 -1.26 -4.87 113.70 113.14 1t60 s SER 123 Ca 0.02 1.79 -0.30 0.00 1.31 0.00 0.00 55.95 58.76 1t60 s SER 123 Cb 0.09 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.68 1t60 s SER 123 CO 0.59 -0.32 1.40 -0.63 0.41 0.00 0.00 173.24 174.70 1t60 s ILE 124 N 0.96 3.64 0.26 1.44 1.01 -1.26 -4.69 121.20 122.55 1t60 s ILE 124 Ca 0.54 1.06 -0.29 0.00 0.00 0.00 0.00 60.65 61.95 1t60 s ILE 124 Cb -0.24 -3.68 -0.09 0.00 0.01 0.00 0.00 42.46 38.46 1t60 s ILE 124 CO 0.29 0.01 1.21 -2.16 0.00 0.00 0.00 174.94 174.29 1t60 s PRO 125 N 2.18 4.49 0.53 2.79 0.04 -1.26 -5.02 135.00 138.75 1t60 s PRO 125 Ca 0.64 1.97 -0.18 0.00 0.04 0.00 0.00 61.00 63.47 1t60 s PRO 125 Cb -0.32 -3.17 -0.06 0.00 0.04 0.00 0.00 34.50 30.98 1t60 s PRO 125 CO 0.27 -0.04 1.05 -1.01 0.04 0.00 0.00 177.00 177.31 1t60 s HIS 126 N -0.69 3.01 0.71 0.56 3.76 -1.26 -4.57 115.29 116.81 1t60 s HIS 126 Ca 0.50 1.54 -0.12 0.00 -0.15 0.00 0.00 55.06 56.83 1t60 s HIS 126 Cb -0.35 -3.03 0.02 0.00 1.11 0.00 0.00 32.58 30.33 1t60 s HIS 126 CO 0.43 -0.95 1.08 0.00 -0.85 0.00 0.00 174.74 174.45 1t60 s PRO 128 N -4.75 1.80 0.05 0.00 0.02 -1.26 -4.86 135.00 125.99 1t60 s PRO 128 Ca 0.61 1.32 -0.31 0.00 0.02 0.00 0.00 61.00 62.64 1t60 s PRO 128 Cb -0.16 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.42 1t60 s PRO 128 CO 0.51 -2.01 1.91 0.00 -0.33 0.00 0.00 177.00 177.09 1t60 n ALA 129 N -3.77 1.69 0.00 -1.55 0.00 -1.26 -1.38 120.51 114.24 1t60 n ALA 129 Ca 0.10 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1t60 n ALA 129 Cb 0.53 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.35 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 4.41 0.68 3.35 0.00 0.00 -1.26 -5.03 105.19 107.34 1t60 n GLY 130 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 2.11 0.12 1.61 0.52 -0.48 0.20 118.94 121.02 1t60 s TRP 131 Ca 0.00 -0.39 0.08 0.00 0.02 0.00 0.00 56.10 55.80 1t60 s TRP 131 Cb 0.00 -1.15 -0.04 0.00 -1.15 0.00 0.00 33.47 31.13 1t60 s TRP 131 CO 0.00 0.29 -0.12 -0.98 0.02 0.00 0.00 176.95 176.16 1t60 s ARG 132 N -1.99 2.04 0.23 4.98 1.70 0.29 -4.70 118.95 121.50 1t60 s ARG 132 Ca 0.11 -1.10 -0.30 0.00 -0.47 0.00 0.00 55.73 53.97 1t60 s ARG 132 Cb -0.10 -2.24 -0.09 0.00 -0.57 0.00 0.00 34.95 31.95 1t60 s ARG 132 CO 0.05 0.49 0.95 0.45 -1.08 0.00 0.00 175.30 176.16 1t60 s SER 133 N -2.30 7.61 -0.17 -2.89 0.15 -1.26 -0.96 113.70 113.88 1t60 s SER 133 Ca 0.21 1.96 0.14 0.00 0.70 0.00 0.00 55.95 58.96 1t60 s SER 133 Cb -0.11 -2.61 -0.20 0.00 -1.71 0.00 0.00 66.02 61.39 1t60 s SER 133 CO 0.13 0.12 0.05 0.18 1.20 0.00 0.00 173.24 174.92 1t60 n LEU 134 N 1.58 0.09 -3.60 3.45 4.77 0.12 -4.93 117.00 118.48 1t60 n LEU 134 Ca -0.02 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1t60 n LEU 134 Cb 0.47 0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 41.93 1t60 n LEU 134 CO 0.50 0.42 1.11 -1.66 -1.33 0.00 0.00 177.39 176.44 1t60 s TRP 135 N -2.40 -0.04 0.32 -1.77 -2.14 -1.21 -5.00 118.94 106.69 1t60 s TRP 135 Ca -0.09 -0.01 0.10 0.00 2.66 0.00 0.00 56.10 58.76 1t60 s TRP 135 Cb 0.05 0.52 -0.05 0.00 -3.10 0.00 0.00 33.47 30.89 1t60 s TRP 135 CO 0.68 -0.15 -0.05 0.96 -2.66 0.00 0.00 176.95 175.73 1t60 s ILE 136 N -2.26 2.60 0.00 0.66 -4.36 -1.26 -1.07 121.20 115.51 1t60 s ILE 136 Ca 0.13 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 1t60 s ILE 136 Cb 0.03 -2.69 0.00 0.00 1.25 0.00 0.00 42.46 41.06 1t60 s ILE 136 CO -0.04 -0.25 0.00 0.61 0.24 0.00 0.00 174.94 175.49 1t60 n GLY 137 N -0.86 1.83 3.32 6.27 0.00 -0.62 -4.36 105.19 110.76 1t60 n GLY 137 Ca -0.05 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.66 2.23 -0.80 1.61 1.51 0.90 -2.33 117.35 118.81 1t60 s TYR 138 Ca 0.00 -0.41 -0.25 0.00 -1.01 0.00 0.00 57.07 55.40 1t60 s TYR 138 Cb 0.00 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.47 1t60 s TYR 138 CO 0.00 0.08 1.79 -1.12 -1.11 0.00 0.00 175.55 175.18 1t60 s SER 139 N -1.05 5.46 -0.36 2.29 0.01 -0.70 -2.21 113.70 117.13 1t60 s SER 139 Ca 0.11 -0.38 -0.23 0.00 1.31 0.00 0.00 55.95 56.75 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 0.01 -2.37 0.77 0.12 0.41 0.00 0.00 173.24 172.18 1t60 s PHE 140 N 8.65 3.12 -0.23 2.43 5.36 -0.03 -1.59 117.98 135.70 1t60 s PHE 140 Ca 0.62 0.56 -0.16 0.00 -0.96 0.00 0.00 56.93 56.99 1t60 s PHE 140 Cb -0.08 -3.36 -0.10 0.00 -0.34 0.00 0.00 43.02 39.14 1t60 s PHE 140 CO 0.07 -0.71 -0.27 -0.11 -1.46 0.00 0.00 175.22 172.75 1t60 n LEU 141 N 6.36 1.93 0.00 6.12 7.94 -0.34 -4.50 117.00 134.51 1t60 n LEU 141 Ca 0.03 0.37 -0.06 0.00 -1.11 0.00 0.00 56.01 55.24 1t60 n LEU 141 Cb 0.48 -0.82 0.01 0.00 0.53 0.00 0.00 43.42 43.62 1t60 n LEU 141 CO 0.53 0.18 0.29 1.15 -1.11 0.00 0.00 177.39 178.43 1t60 n MET 142 N -4.37 0.65 -3.48 1.96 0.00 -1.10 -1.02 117.12 109.75 1t60 n MET 142 Ca -0.35 -1.46 -0.13 0.00 0.00 0.00 0.00 57.70 55.76 1t60 n MET 142 Cb 0.69 1.72 -0.04 0.00 0.00 0.00 0.00 33.22 35.60 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 -4.54 -0.53 0.05 3.17 -3.43 0.24 -0.72 115.29 109.52 1t60 s HIS 143 Ca 0.12 0.61 -0.03 0.00 -0.80 0.00 0.00 55.06 54.95 1t60 s HIS 143 Cb -0.03 0.49 -0.03 0.00 -1.43 0.00 0.00 32.58 31.59 1t60 s HIS 143 CO 0.09 -0.66 0.02 0.95 -2.00 0.00 0.00 174.74 173.14 1t60 s THR 144 N -2.50 0.17 0.00 -5.38 -4.23 -0.94 -1.47 115.64 101.29 1t60 s THR 144 Ca -0.03 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1t60 s THR 144 Cb -0.01 -1.12 0.00 0.00 1.34 0.00 0.00 72.50 72.71 1t60 s THR 144 CO -0.03 -0.78 0.00 0.00 -0.54 0.00 0.00 174.62 173.27 1t60 n ALA 145 N 0.52 0.00 -1.68 3.99 0.00 -0.60 -1.27 120.51 121.47 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 0.59 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 1.21 -0.88 0.00 0.00 -1.26 -4.56 120.51 112.02 1t60 n ALA 146 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1t60 n ALA 146 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.17 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 1.93 3.03 0.54 0.00 0.00 -1.26 -2.11 105.19 107.32 1t60 n GLY 147 Ca 0.10 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 1.92 3.20 -4.85 1.61 3.85 -1.26 -5.02 116.55 115.99 1t60 n ASP 148 Ca 0.00 -2.98 -0.32 0.00 -0.71 0.00 0.00 54.79 50.78 1t60 n ASP 148 Cb 0.00 -0.47 -0.02 0.00 -1.35 0.00 0.00 41.12 39.28 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 -2.73 3.83 0.00 0.11 0.41 -0.90 -4.89 118.70 114.54 1t60 s GLU 149 Ca 0.36 0.85 0.00 0.00 -0.41 0.00 0.00 54.97 55.78 1t60 s GLU 149 Cb 0.30 -2.14 0.00 0.00 -1.78 0.00 0.00 34.13 30.51 1t60 s GLU 149 CO 0.07 -0.34 0.00 0.41 -0.49 0.00 0.00 175.26 174.91 1t60 n GLY 150 N -1.90 -0.57 0.00 -1.39 0.00 -1.26 -1.56 105.19 98.51 1t60 n GLY 150 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.86 3.82 -0.02 0.00 -0.54 -4.76 105.19 102.84 1t60 n GLY 151 Ca 0.00 -0.77 -0.06 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.11 0.24 -0.02 0.00 -1.26 -0.59 107.32 105.57 1t60 s GLY 152 Ca 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 44.72 44.58 1t60 s GLY 152 CO 0.00 -0.03 0.31 1.20 0.00 0.00 0.00 173.10 174.59 1t60 s GLN 153 N -3.61 3.31 -0.16 2.90 -1.52 -0.19 -4.93 119.66 115.46 1t60 s GLN 153 Ca 0.12 -0.82 -0.23 0.00 -1.95 0.00 0.00 55.36 52.48 1t60 s GLN 153 Cb -0.04 -2.81 -0.03 0.00 -0.22 0.00 0.00 33.01 29.91 1t60 s GLN 153 CO 0.06 0.43 0.70 0.45 -0.25 0.00 0.00 175.29 176.67 1t60 s SER 154 N -3.90 6.83 0.23 5.90 0.15 -1.26 -4.91 113.70 116.74 1t60 s SER 154 Ca 0.34 1.01 0.18 0.00 0.70 0.00 0.00 55.95 58.18 1t60 s SER 154 Cb -0.09 -2.39 0.90 0.00 -1.71 0.00 0.00 66.02 62.74 1t60 s SER 154 CO 0.28 -0.26 1.56 0.18 1.20 0.00 0.00 173.24 176.20 1t60 n LEU 155 N 4.77 0.47 -0.19 3.45 4.77 -1.26 -1.03 117.00 127.98 1t60 n LEU 155 Ca 0.00 0.68 0.11 0.00 -0.03 0.00 0.00 56.01 56.77 1t60 n LEU 155 Cb 0.50 -0.69 0.08 0.00 -2.33 0.00 0.00 43.42 40.98 1t60 n LEU 155 CO 0.46 -0.72 0.29 0.55 -1.33 0.00 0.00 177.39 176.63 1t60 n VAL 156 N -2.08 0.00 -3.31 4.08 3.14 -1.26 -4.50 118.33 114.40 1t60 n VAL 156 Ca 0.00 -0.10 -0.34 0.00 -2.96 0.00 0.00 64.34 60.95 1t60 n VAL 156 Cb 0.09 0.81 -0.06 0.00 -1.06 0.00 0.00 33.84 33.63 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 -2.75 6.77 0.40 6.55 0.15 -0.20 -1.57 113.70 123.05 1t60 s SER 157 Ca 0.15 1.10 0.28 0.00 0.70 0.00 0.00 55.95 58.17 1t60 s SER 157 Cb 0.18 -2.30 1.41 0.00 -1.71 0.00 0.00 66.02 63.60 1t60 s SER 157 CO 0.68 -0.03 1.85 -0.65 1.20 0.00 0.00 173.24 176.30 1t60 h PRO 158 N 2.92 0.00 0.00 5.44 0.11 -1.85 -2.00 132.00 136.62 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 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1t60 h PRO 158 CO 0.67 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.24 1t60 h GLY 159 N 0.73 0.00 -1.02 -0.55 0.00 -1.85 -1.56 103.07 98.82 1t60 h GLY 159 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 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 -2.52 1.92 -3.78 0.19 3.41 -0.75 -4.59 113.62 107.49 1t60 n SER 160 Ca 0.01 -1.74 -0.29 0.00 -0.26 0.00 0.00 58.87 56.58 1t60 n SER 160 Cb 0.21 -0.11 -0.13 0.00 -0.26 0.00 0.00 64.21 63.91 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 0.04 4.52 0.21 0.00 1.43 -0.94 -4.74 118.68 119.19 1t60 s LEU 162 Ca 0.18 1.47 -0.06 0.00 -1.03 0.00 0.00 54.13 54.69 1t60 s LEU 162 Cb -0.23 -3.17 0.16 0.00 0.03 0.00 0.00 46.19 42.99 1t60 s LEU 162 CO -0.02 0.14 1.65 -0.33 0.23 0.00 0.00 176.35 178.03 1t60 h GLU 163 N 4.95 0.90 -5.06 1.70 5.08 -1.89 0.26 114.58 120.52 1t60 h GLU 163 Ca -0.46 -0.31 -0.66 0.00 -1.00 0.00 0.00 59.36 56.93 1t60 h GLU 163 Cb 1.21 -0.07 -0.28 0.00 0.50 0.00 0.00 28.75 30.11 1t60 h GLU 163 CO 0.68 0.96 -0.73 0.34 -1.00 0.00 0.00 179.01 179.25 1t60 s ASP 164 N -6.67 4.22 0.38 1.42 3.68 -1.26 -4.63 116.67 113.81 1t60 s ASP 164 Ca -0.10 -0.38 -0.25 0.00 2.13 0.00 0.00 52.55 53.94 1t60 s ASP 164 Cb 0.13 -1.71 -0.09 0.00 -1.45 0.00 0.00 42.92 39.81 1t60 s ASP 164 CO 0.84 0.02 1.08 0.12 0.13 0.00 0.00 175.17 177.36 1t60 s PHE 165 N 1.26 3.28 -0.19 -5.34 2.19 -1.26 -4.96 117.98 112.96 1t60 s PHE 165 Ca 0.03 1.64 -0.11 0.00 0.33 0.00 0.00 56.93 58.82 1t60 s PHE 165 Cb -0.14 -3.21 0.06 0.00 -1.31 0.00 0.00 43.02 38.42 1t60 s PHE 165 CO -0.02 -0.75 0.46 1.03 1.83 0.00 0.00 175.22 177.77 1t60 s ARG 166 N -2.26 0.46 0.29 10.12 0.52 -1.26 -5.03 118.95 121.79 1t60 s ARG 166 Ca 0.55 0.85 0.01 0.00 -0.52 0.00 0.00 55.73 56.63 1t60 s ARG 166 Cb -0.26 0.02 0.55 0.00 0.52 0.00 0.00 34.95 35.79 1t60 s ARG 166 CO 0.32 -0.15 1.87 0.00 0.02 0.00 0.00 175.30 177.36 1t60 h ALA 167 N 6.97 1.53 -2.86 2.13 0.00 -1.98 -3.28 119.26 121.77 1t60 h ALA 167 Ca -0.35 -0.00 -0.61 0.00 0.00 0.00 0.00 54.91 53.95 1t60 h ALA 167 Cb 1.19 -0.24 -0.40 0.00 0.00 0.00 0.00 17.79 18.34 1t60 h ALA 167 CO 0.27 0.27 -0.75 0.99 0.00 0.00 0.00 179.25 180.03 1t60 s THR 168 N -5.92 1.64 -2.00 0.00 2.01 -1.26 -4.04 115.64 106.07 1t60 s THR 168 Ca -0.12 -3.19 0.23 0.00 0.31 0.00 0.00 61.69 58.93 1t60 s THR 168 Cb 0.21 -2.11 0.66 0.00 0.01 0.00 0.00 72.50 71.27 1t60 s THR 168 CO 0.80 -1.03 1.83 -0.81 -0.69 0.00 0.00 174.62 174.73 1t60 n PRO 169 N 2.80 0.89 -4.08 4.92 -0.04 -1.24 -4.88 135.00 133.39 1t60 n PRO 169 Ca 0.18 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.56 1t60 n PRO 169 Cb 0.38 -1.41 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.57 0.14 0.54 -0.71 -1.26 -1.29 117.98 113.97 1t60 s PHE 170 Ca 0.35 -1.05 0.08 0.00 -1.04 0.00 0.00 56.93 55.27 1t60 s PHE 170 Cb 0.16 -0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 41.57 1t60 s PHE 170 CO 0.27 -0.46 -0.19 -1.50 -1.34 0.00 0.00 175.22 172.01 1t60 s ILE 171 N -3.95 1.73 -0.16 -4.49 2.07 0.24 -4.76 121.20 111.88 1t60 s ILE 171 Ca 0.12 -1.77 -0.05 0.00 -1.41 0.00 0.00 60.65 57.53 1t60 s ILE 171 Cb 0.07 -1.71 -0.04 0.00 0.13 0.00 0.00 42.46 40.91 1t60 s ILE 171 CO -0.06 -0.24 0.03 -0.70 -1.91 0.00 0.00 174.94 172.05 1t60 s GLU 172 N -2.49 3.72 -0.14 3.50 2.12 -1.03 -2.18 118.70 122.19 1t60 s GLU 172 Ca 0.12 -0.40 0.01 0.00 0.36 0.00 0.00 54.97 55.06 1t60 s GLU 172 Cb -0.07 -3.06 -0.00 0.00 0.26 0.00 0.00 34.13 31.26 1t60 s GLU 172 CO 0.05 0.35 -0.16 0.00 -0.54 0.00 0.00 175.26 174.96 1t60 s ASN 174 N 0.69 6.20 0.00 0.00 3.84 0.18 -2.09 114.94 123.76 1t60 s ASN 174 Ca -0.08 -0.06 0.00 0.00 0.21 0.00 0.00 52.86 52.93 1t60 s ASN 174 Cb -0.16 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 37.99 1t60 s ASN 174 CO 0.02 -1.73 0.25 0.61 -2.79 0.00 0.00 177.10 173.46 1t60 n GLY 175 N 5.27 -1.87 0.28 1.21 0.00 -0.94 -1.24 105.19 107.90 1t60 n GLY 175 Ca 0.08 0.40 0.16 0.00 0.00 0.00 0.00 46.02 46.65 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 -1.59 1.23 0.00 4.61 0.00 -1.86 -2.60 119.26 119.06 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 -0.23 -0.09 0.00 0.00 0.00 179.25 179.01 1t60 h ARG 177 N 0.00 0.00 -0.95 0.00 2.43 -1.84 -3.47 114.38 110.55 1t60 h ARG 177 Ca -0.00 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.00 1t60 h ARG 177 Cb 0.24 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1t60 h ARG 177 CO 0.01 0.23 -0.20 0.41 -1.51 0.00 0.00 179.97 178.91 1t60 n GLY 178 N 0.99 0.35 3.38 2.80 0.00 -0.38 -4.95 105.19 107.39 1t60 n GLY 178 Ca 0.03 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.28 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 1.72 0.08 2.61 -4.23 -1.22 -2.47 115.64 109.74 1t60 s THR 179 Ca 0.00 -2.19 0.02 0.00 -1.18 0.00 0.00 61.69 58.34 1t60 s THR 179 Cb 0.00 -2.19 -0.04 0.00 1.34 0.00 0.00 72.50 71.61 1t60 s THR 179 CO 0.00 -0.49 -0.07 0.00 -0.54 0.00 0.00 174.62 173.53 1t60 s HIS 181 N -3.14 -0.17 -0.27 0.00 5.04 0.92 -1.25 115.29 116.41 1t60 s HIS 181 Ca 0.07 0.00 -0.08 0.00 -1.54 0.00 0.00 55.06 53.51 1t60 s HIS 181 Cb 0.02 0.57 -0.02 0.00 0.04 0.00 0.00 32.58 33.19 1t60 s HIS 181 CO -0.04 -0.52 0.10 0.71 -2.34 0.00 0.00 174.74 172.64 1t60 s TYR 182 N -2.91 3.12 0.10 3.88 1.51 -1.26 -2.46 117.35 119.32 1t60 s TYR 182 Ca 0.10 -0.43 0.03 0.00 -1.01 0.00 0.00 57.07 55.76 1t60 s TYR 182 Cb 0.00 -2.28 -0.04 0.00 -0.11 0.00 0.00 41.96 39.54 1t60 s TYR 182 CO -0.03 -0.37 0.12 0.71 -1.11 0.00 0.00 175.55 174.86 1t60 s TYR 183 N 1.62 3.24 0.29 2.71 1.51 -1.26 -5.01 117.35 120.45 1t60 s TYR 183 Ca 0.06 0.08 0.34 0.00 -1.01 0.00 0.00 57.07 56.54 1t60 s TYR 183 Cb -0.16 -1.62 1.85 0.00 -0.11 0.00 0.00 41.96 41.93 1t60 s TYR 183 CO 0.05 0.53 2.04 0.00 -1.11 0.00 0.00 175.55 177.06 1t60 h ALA 184 N 3.01 1.02 -0.24 3.71 0.00 -2.02 -2.37 119.26 122.37 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 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1t60 h ALA 184 CO 0.67 -0.02 0.00 0.27 0.00 0.00 0.00 179.25 180.17 1t60 n ASN 185 N -2.71 1.80 -4.70 0.00 6.94 -1.26 -4.88 115.26 110.45 1t60 n ASN 185 Ca -0.02 -1.82 -0.42 0.00 -0.02 0.00 0.00 54.58 52.29 1t60 n ASN 185 Cb 0.07 -0.16 -0.03 0.00 -2.36 0.00 0.00 39.78 37.30 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 -1.68 4.39 0.01 -3.83 1.02 -0.90 -4.32 119.74 114.42 1t60 s LYS 186 Ca 0.29 1.75 0.05 0.00 0.02 0.00 0.00 55.97 58.09 1t60 s LYS 186 Cb 0.16 -3.45 -0.02 0.00 -0.52 0.00 0.00 37.83 34.00 1t60 s LYS 186 CO 0.23 -0.36 -0.16 0.71 -0.92 0.00 0.00 175.35 174.85 1t60 s TYR 187 N 1.65 1.38 -0.01 3.18 4.12 -0.40 -5.00 117.35 122.27 1t60 s TYR 187 Ca 0.58 -0.29 0.07 0.00 0.02 0.00 0.00 57.07 57.46 1t60 s TYR 187 Cb -0.28 -0.86 -0.02 0.00 -1.52 0.00 0.00 41.96 39.27 1t60 s TYR 187 CO 0.26 0.00 -0.23 -1.54 0.02 0.00 0.00 175.55 174.06 1t60 s SER 188 N -0.61 3.33 -0.05 2.29 1.04 -1.26 -2.22 113.70 116.23 1t60 s SER 188 Ca 0.05 -0.44 0.06 0.00 0.48 0.00 0.00 55.95 56.10 1t60 s SER 188 Cb -0.07 -0.45 -0.02 0.00 0.10 0.00 0.00 66.02 65.59 1t60 s SER 188 CO 0.00 0.31 -0.23 -0.36 0.98 0.00 0.00 173.24 173.94 1t60 s PHE 189 N -0.70 2.46 0.06 5.02 0.40 0.10 -4.97 117.98 120.34 1t60 s PHE 189 Ca 0.11 -0.52 0.04 0.00 -0.60 0.00 0.00 56.93 55.96 1t60 s PHE 189 Cb -0.10 -1.58 -0.03 0.00 0.51 0.00 0.00 43.02 41.82 1t60 s PHE 189 CO 0.01 -0.08 -0.12 -1.58 0.70 0.00 0.00 175.22 174.14 1t60 s TRP 190 N -0.40 1.01 0.46 0.36 0.52 -1.26 -1.20 118.94 118.43 1t60 s TRP 190 Ca 0.04 -0.47 -0.24 0.00 0.02 0.00 0.00 56.10 55.45 1t60 s TRP 190 Cb -0.12 -0.58 -0.07 0.00 -1.15 0.00 0.00 33.47 31.55 1t60 s TRP 190 CO 0.02 0.01 1.24 -0.51 0.02 0.00 0.00 176.95 177.72 1t60 s LEU 191 N -1.65 4.05 0.37 2.99 1.43 -0.62 -4.89 118.68 120.36 1t60 s LEU 191 Ca -0.05 2.50 -0.01 0.00 -1.03 0.00 0.00 54.13 55.54 1t60 s LEU 191 Cb -0.10 -4.13 -0.03 0.00 0.03 0.00 0.00 46.19 41.95 1t60 s LEU 191 CO 0.02 -1.01 0.59 0.42 0.23 0.00 0.00 176.35 176.60 1t60 s THR 192 N -1.41 5.07 -0.06 5.49 -4.23 -1.26 -0.49 115.64 118.76 1t60 s THR 192 Ca 0.63 -0.34 -0.24 0.00 -1.18 0.00 0.00 61.69 60.55 1t60 s THR 192 Cb -0.34 -3.86 -0.04 0.00 1.34 0.00 0.00 72.50 69.61 1t60 s THR 192 CO 0.42 -0.60 0.72 0.42 -0.54 0.00 0.00 174.62 175.03 1t60 s THR 193 N -2.38 5.03 -0.25 3.99 -4.23 -0.97 -4.20 115.64 112.63 1t60 s THR 193 Ca 0.41 1.48 -0.06 0.00 -1.18 0.00 0.00 61.69 62.34 1t60 s THR 193 Cb -0.10 -4.06 -0.02 0.00 1.34 0.00 0.00 72.50 69.67 1t60 s THR 193 CO 0.37 0.25 0.04 -0.63 -0.54 0.00 0.00 174.62 174.12 1t60 s ILE 194 N 0.78 4.05 0.22 2.99 1.01 0.42 -4.88 121.20 125.79 1t60 s ILE 194 Ca 0.38 -0.30 -0.08 0.00 0.00 0.00 0.00 60.65 60.65 1t60 s ILE 194 Cb -0.18 -2.90 0.17 0.00 0.01 0.00 0.00 42.46 39.55 1t60 s ILE 194 CO 0.19 0.33 1.74 -0.65 0.00 0.00 0.00 174.94 176.56 1t60 h PRO 195 N 8.21 0.42 -7.02 2.79 0.11 -1.96 -3.43 132.00 131.11 1t60 h PRO 195 Ca -0.38 -0.03 -0.48 0.00 0.11 0.00 0.00 66.00 65.22 1t60 h PRO 195 Cb 1.17 -0.09 0.22 0.00 0.11 0.00 0.00 31.00 32.40 1t60 h PRO 195 CO 0.59 0.28 -0.24 0.39 -0.21 0.00 0.00 178.00 178.81 1t60 n GLU 196 N -4.99 -1.34 0.03 1.05 4.71 -1.26 -4.96 120.64 113.89 1t60 n GLU 196 Ca 0.10 -0.35 -0.19 0.00 -0.01 0.00 0.00 57.16 56.71 1t60 n GLU 196 Cb 0.31 -2.09 -0.14 0.00 -1.01 0.00 0.00 31.44 28.51 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 -2.15 0.29 0.00 3.49 5.75 -2.00 -3.45 115.11 117.04 1t60 h GLN 197 Ca -0.51 -0.46 0.00 0.00 -0.15 0.00 0.00 58.65 57.53 1t60 h GLN 197 Cb 1.31 0.16 0.00 0.00 1.07 0.00 0.00 27.48 30.02 1t60 h GLN 197 CO 0.42 1.20 0.00 0.45 -2.65 0.00 0.00 178.83 178.25 1t60 n SER 198 N -4.18 0.00 -3.92 -0.69 2.88 -1.26 -5.10 113.62 101.34 1t60 n SER 198 Ca -0.13 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.15 1t60 n SER 198 Cb 0.77 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 64.06 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 -0.83 1.46 -0.47 0.66 5.36 -1.26 -5.08 117.98 117.82 1t60 s PHE 199 Ca 0.00 -0.70 0.03 0.00 -0.96 0.00 0.00 56.93 55.30 1t60 s PHE 199 Cb 0.00 -1.20 0.12 0.00 -0.34 0.00 0.00 43.02 41.61 1t60 s PHE 199 CO 0.00 -0.47 0.21 -1.14 -1.46 0.00 0.00 175.22 172.36 1t60 s GLN 200 N 1.54 1.90 0.39 10.12 0.74 -1.26 -4.85 119.66 128.24 1t60 s GLN 200 Ca 0.02 -2.31 0.21 0.00 0.05 0.00 0.00 55.36 53.33 1t60 s GLN 200 Cb -0.13 -3.36 0.48 0.00 1.10 0.00 0.00 33.01 31.10 1t60 s GLN 200 CO -0.06 -1.06 1.64 0.78 -0.55 0.00 0.00 175.29 176.03 1t60 h GLY 201 N 7.05 0.00 -7.19 2.59 0.00 -2.05 -3.42 103.07 100.05 1t60 h GLY 201 Ca -0.06 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.75 1t60 h GLY 201 CO 0.64 0.00 -0.76 -1.59 0.00 0.00 0.00 176.54 174.83 1t60 s THR 202 N -3.27 0.43 0.32 4.70 2.01 -1.26 -5.13 115.64 113.44 1t60 s THR 202 Ca 0.04 -0.61 -0.28 0.00 0.31 0.00 0.00 61.69 61.15 1t60 s THR 202 Cb 0.08 -1.03 -0.09 0.00 0.01 0.00 0.00 72.50 71.46 1t60 s THR 202 CO 0.68 -0.31 1.10 -2.84 -0.69 0.00 0.00 174.62 172.56 1t60 s PRO 203 N 1.89 4.44 -0.58 4.92 0.02 -1.26 -5.00 135.00 139.43 1t60 s PRO 203 Ca 0.01 1.75 -0.13 0.00 0.02 0.00 0.00 61.00 62.65 1t60 s PRO 203 Cb -0.17 -2.97 0.15 0.00 0.02 0.00 0.00 34.50 31.53 1t60 s PRO 203 CO -0.12 0.05 0.51 0.45 -0.33 0.00 0.00 177.00 177.56 1t60 s SER 204 N -1.06 6.14 0.62 2.53 0.15 -1.26 -5.05 113.70 115.77 1t60 s SER 204 Ca 0.49 -2.05 -0.17 0.00 0.70 0.00 0.00 55.95 54.92 1t60 s SER 204 Cb -0.30 -2.14 -0.07 0.00 -1.71 0.00 0.00 66.02 61.80 1t60 s SER 204 CO 0.38 -0.74 0.54 0.00 1.20 0.00 0.00 173.24 174.62 1t60 n ALA 205 N 4.83 -1.22 -3.54 5.45 0.00 -1.26 -5.02 120.51 119.75 1t60 n ALA 205 Ca -0.06 -0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.20 1t60 n ALA 205 Cb 0.41 -1.85 -0.03 0.00 0.00 0.00 0.00 19.45 17.99 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 -1.27 -0.31 -0.12 0.00 3.68 -1.26 -5.15 116.67 112.24 1t60 s ASP 206 Ca 0.68 0.09 0.02 0.00 2.13 0.00 0.00 52.55 55.48 1t60 s ASP 206 Cb -0.41 0.31 -0.00 0.00 -1.45 0.00 0.00 42.92 41.37 1t60 s ASP 206 CO 0.55 -0.47 -0.20 -0.89 0.13 0.00 0.00 175.17 174.30 1t60 s THR 207 N -2.47 2.37 -0.16 1.71 2.01 -1.26 -5.12 115.64 112.72 1t60 s THR 207 Ca 0.04 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.16 1t60 s THR 207 Cb -0.01 -1.95 0.01 0.00 0.01 0.00 0.00 72.50 70.56 1t60 s THR 207 CO -0.06 0.54 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.47 1t60 s LEU 208 N 0.52 2.29 0.34 4.42 1.43 -1.26 -5.12 118.68 121.30 1t60 s LEU 208 Ca -0.13 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1t60 s LEU 208 Cb -0.17 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1t60 s LEU 208 CO 0.05 0.06 0.56 -0.54 0.23 0.00 0.00 176.35 176.70 1t60 s LYS 209 N 0.94 3.52 0.11 1.70 1.02 -1.26 -4.85 119.74 120.92 1t60 s LYS 209 Ca -0.03 -0.24 -0.24 0.00 0.02 0.00 0.00 55.97 55.48 1t60 s LYS 209 Cb -0.15 -2.65 -0.14 0.00 -0.52 0.00 0.00 37.83 34.38 1t60 s LYS 209 CO -0.03 0.15 0.51 0.00 -0.92 0.00 0.00 175.35 175.05 1t60 n ALA 210 N -1.61 -2.56 0.00 5.17 0.00 -1.26 -2.27 120.51 117.98 1t60 n ALA 210 Ca -0.04 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1t60 n ALA 210 Cb 0.56 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 2.46 0.00 0.00 0.00 -1.26 -4.71 105.19 103.10 1t60 n GLY 211 Ca 0.14 -0.71 0.04 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 -0.01 0.99 7.99 -0.96 -4.04 117.00 120.97 1t60 n LEU 212 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 55.99 1t60 n LEU 212 Cb 0.00 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1t60 n LEU 212 CO 0.00 0.00 0.03 0.40 -1.51 0.00 0.00 177.39 176.31 1t60 h ILE 213 N 0.00 0.00 -0.93 -0.08 2.04 -1.84 -3.37 117.51 113.33 1t60 h ILE 213 Ca 0.00 -0.56 0.27 0.00 1.00 0.00 0.00 64.86 65.57 1t60 h ILE 213 Cb 0.00 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 35.92 1t60 h ILE 213 CO 0.00 0.00 0.17 0.03 0.00 0.00 0.00 178.15 178.35 1t60 h ARG 214 N -0.61 0.09 0.00 2.37 -0.00 -1.95 0.67 114.38 114.95 1t60 h ARG 214 Ca -0.01 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 1t60 h ARG 214 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 29.99 1t60 h ARG 214 CO 0.01 0.06 0.00 0.25 0.00 0.00 0.00 179.97 180.29 1t60 n THR 215 N -5.35 0.15 0.14 2.04 -2.24 -1.26 -2.02 114.28 105.74 1t60 n THR 215 Ca 0.24 0.04 0.02 0.00 -2.27 0.00 0.00 64.05 62.08 1t60 n THR 215 Cb 0.77 -0.81 0.03 0.00 -2.10 0.00 0.00 70.33 68.22 1t60 n THR 215 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1t60 n HIS 216 N -1.07 0.03 -3.84 4.78 8.25 0.23 -4.82 115.22 118.79 1t60 n HIS 216 Ca 0.10 -0.09 -0.36 0.00 -0.26 0.00 0.00 57.72 57.11 1t60 n HIS 216 Cb 0.07 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.07 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 -0.49 4.95 0.56 1.59 -1.09 -0.86 -2.28 121.20 123.58 1t60 s ILE 217 Ca 0.06 0.03 -0.20 0.00 -2.23 0.00 0.00 60.65 58.32 1t60 s ILE 217 Cb 0.04 -3.27 -0.06 0.00 -1.58 0.00 0.00 42.46 37.59 1t60 s ILE 217 CO 0.06 0.40 0.96 -0.24 -1.23 0.00 0.00 174.94 174.89 1t60 n SER 218 N 4.00 0.85 -4.85 3.58 2.88 0.36 -4.63 113.62 115.81 1t60 n SER 218 Ca -0.16 0.85 -0.24 0.00 -1.33 0.00 0.00 58.87 58.00 1t60 n SER 218 Cb 0.52 -1.38 -0.04 0.00 -0.75 0.00 0.00 64.21 62.56 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 3.06 0.23 -1.46 1.81 -1.19 -1.73 118.95 117.11 1t60 s ARG 219 Ca 0.72 -0.89 -0.11 0.00 -1.72 0.00 0.00 55.73 53.74 1t60 s ARG 219 Cb -0.44 -2.69 -0.01 0.00 -0.45 0.00 0.00 34.95 31.35 1t60 s ARG 219 CO 0.50 0.45 0.41 0.00 -0.68 0.00 0.00 175.30 175.98 1t60 s GLN 221 N -4.04 0.17 -0.25 0.00 0.74 -0.79 -1.59 119.66 113.90 1t60 s GLN 221 Ca 0.25 0.16 -0.11 0.00 0.05 0.00 0.00 55.36 55.71 1t60 s GLN 221 Cb 0.01 0.08 -0.05 0.00 1.10 0.00 0.00 33.01 34.15 1t60 s GLN 221 CO 0.09 -0.02 0.19 0.08 -0.55 0.00 0.00 175.29 175.08 1t60 s VAL 222 N 0.02 5.33 0.15 1.34 1.01 -0.23 -1.63 120.40 126.38 1t60 s VAL 222 Ca -0.01 0.23 0.10 0.00 0.00 0.00 0.00 61.98 62.31 1t60 s VAL 222 Cb -0.01 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1t60 s VAL 222 CO 0.00 0.31 -0.22 0.00 0.00 0.00 0.00 175.10 175.19 1t60 s MET 224 N -2.39 0.73 0.32 0.00 1.75 -0.13 -0.63 119.30 118.94 1t60 s MET 224 Ca 0.14 -0.34 -0.29 0.00 -1.25 0.00 0.00 55.69 53.95 1t60 s MET 224 Cb -0.08 -0.71 -0.12 0.00 2.84 0.00 0.00 34.83 36.76 1t60 s MET 224 CO 0.07 0.19 1.49 1.17 -0.65 0.00 0.00 175.02 177.29 1t60 n LYS 225 N 2.80 2.51 -0.35 4.11 4.81 -1.21 -0.54 118.16 130.29 1t60 n LYS 225 Ca -0.14 0.89 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1t60 n LYS 225 Cb 0.57 -2.61 0.00 0.00 0.02 0.00 0.00 35.03 33.01 1t60 n LYS 225 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66