#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t60 n GLY 4 N 0.00 0.81 3.77 3.28 0.00 -1.17 -5.02 105.19 106.86 1t60 n GLY 4 Ca 0.00 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 1t60 n GLY 4 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1t60 s TYR 5 N -2.26 2.88 -0.34 1.61 6.14 -0.84 -4.64 117.35 119.90 1t60 s TYR 5 Ca 0.00 1.40 -0.17 0.00 0.64 0.00 0.00 57.07 58.94 1t60 s TYR 5 Cb 0.00 -3.70 -0.01 0.00 0.42 0.00 0.00 41.96 38.67 1t60 s TYR 5 CO 0.00 -2.07 0.46 -0.51 0.64 0.00 0.00 175.55 174.07 1t60 s LEU 6 N -2.19 4.33 -0.22 6.97 1.43 -1.26 0.11 118.68 127.85 1t60 s LEU 6 Ca 0.54 -0.03 -0.14 0.00 -1.03 0.00 0.00 54.13 53.47 1t60 s LEU 6 Cb -0.39 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 1t60 s LEU 6 CO 0.51 -0.40 0.31 -0.22 0.23 0.00 0.00 176.35 176.78 1t60 s LEU 7 N 2.25 4.13 -0.12 1.79 2.96 0.32 -4.83 118.68 125.17 1t60 s LEU 7 Ca 0.16 0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 54.41 1t60 s LEU 7 Cb -0.16 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.14 1t60 s LEU 7 CO 0.12 -0.04 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.37 1t60 s VAL 8 N 1.30 3.79 -0.04 1.68 1.01 -1.26 -0.67 120.40 126.21 1t60 s VAL 8 Ca 0.15 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.75 1t60 s VAL 8 Cb -0.14 -2.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.62 1t60 s VAL 8 CO 0.07 0.54 -0.15 -0.54 0.00 0.00 0.00 175.10 175.01 1t60 s LYS 9 N -0.08 1.58 -0.22 2.72 1.02 -0.81 -4.90 119.74 119.05 1t60 s LYS 9 Ca 0.01 -0.54 -0.02 0.00 0.02 0.00 0.00 55.97 55.44 1t60 s LYS 9 Cb -0.13 -1.40 0.00 0.00 -0.52 0.00 0.00 37.83 35.79 1t60 s LYS 9 CO 0.03 0.22 -0.08 -1.01 -0.92 0.00 0.00 175.35 173.59 1t60 s HIS 10 N 0.05 2.94 0.29 3.18 3.76 -1.26 -1.46 115.29 122.79 1t60 s HIS 10 Ca -0.03 -1.21 0.05 0.00 -0.15 0.00 0.00 55.06 53.72 1t60 s HIS 10 Cb -0.11 -2.06 0.44 0.00 1.11 0.00 0.00 32.58 31.97 1t60 s HIS 10 CO 0.02 -0.64 1.71 0.66 -0.85 0.00 0.00 174.74 175.63 1t60 h SER 11 N 8.06 0.33 -0.69 1.40 4.64 -1.36 -3.47 113.55 122.46 1t60 h SER 11 Ca -0.41 -0.13 -0.23 0.00 -0.47 0.00 0.00 61.79 60.56 1t60 h SER 11 Cb 1.15 -0.09 -0.08 0.00 -0.31 0.00 0.00 62.40 63.07 1t60 h SER 11 CO 0.61 0.67 -0.22 0.00 -0.87 0.00 0.00 176.83 177.02 1t60 n GLN 12 N -4.06 -0.78 -4.23 4.77 6.02 -1.26 -4.96 117.38 112.87 1t60 n GLN 12 Ca -0.01 0.84 -0.14 0.00 -0.01 0.00 0.00 57.00 57.67 1t60 n GLN 12 Cb 0.46 -4.83 -0.10 0.00 1.02 0.00 0.00 30.24 26.79 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 -2.43 0.04 -1.82 5.09 -4.23 -1.26 -4.10 115.64 106.92 1t60 s THR 13 Ca 0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 1t60 s THR 13 Cb 0.00 -2.51 0.16 0.00 1.34 0.00 0.00 72.50 71.50 1t60 s THR 13 CO 0.00 0.00 1.08 -0.90 -0.54 0.00 0.00 174.62 174.26 1t60 n ASP 14 N -0.61 1.13 -4.56 3.99 5.75 -1.26 -1.81 116.55 119.17 1t60 n ASP 14 Ca 0.03 -2.03 -0.33 0.00 -0.01 0.00 0.00 54.79 52.45 1t60 n ASP 14 Cb 0.65 -0.18 -0.11 0.00 -1.03 0.00 0.00 41.12 40.45 1t60 n ASP 14 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1t60 s GLN 15 N -1.71 2.58 0.21 0.11 1.11 -1.26 -4.88 119.66 115.82 1t60 s GLN 15 Ca 0.12 -0.67 -0.30 0.00 0.01 0.00 0.00 55.36 54.52 1t60 s GLN 15 Cb 0.07 -2.49 -0.09 0.00 -1.01 0.00 0.00 33.01 29.48 1t60 s GLN 15 CO 0.07 0.62 1.38 -1.21 0.01 0.00 0.00 175.29 176.17 1t60 s GLU 16 N -1.08 4.32 0.36 2.91 2.02 -1.26 -4.53 118.70 121.43 1t60 s GLU 16 Ca 0.14 2.17 -0.25 0.00 0.02 0.00 0.00 54.97 57.06 1t60 s GLU 16 Cb -0.11 -3.16 -0.09 0.00 0.10 0.00 0.00 34.13 30.87 1t60 s GLU 16 CO 0.04 -0.36 1.01 -1.25 0.02 0.00 0.00 175.26 174.73 1t60 s PRO 17 N -0.05 4.37 0.19 0.39 0.04 -1.26 -5.02 135.00 133.66 1t60 s PRO 17 Ca 0.59 1.46 -0.24 0.00 0.04 0.00 0.00 61.00 62.85 1t60 s PRO 17 Cb -0.39 -2.69 -0.08 0.00 0.04 0.00 0.00 34.50 31.37 1t60 s PRO 17 CO 0.39 0.05 0.78 1.41 0.04 0.00 0.00 177.00 179.67 1t60 s MET 18 N -2.24 4.49 0.51 4.56 1.75 -1.26 -4.66 119.30 122.44 1t60 s MET 18 Ca 0.54 1.10 -0.19 0.00 -1.25 0.00 0.00 55.69 55.88 1t60 s MET 18 Cb -0.21 -3.14 -0.08 0.00 2.84 0.00 0.00 34.83 34.24 1t60 s MET 18 CO 0.27 0.51 1.05 0.00 -0.65 0.00 0.00 175.02 176.20 1t60 n PRO 20 N -1.15 1.77 -1.68 0.00 -0.02 -1.26 -4.84 135.00 127.83 1t60 n PRO 20 Ca 0.09 0.64 -0.47 0.00 -2.02 0.00 0.00 63.50 61.75 1t60 n PRO 20 Cb 0.52 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 31.46 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 -0.77 0.32 0.00 -1.45 3.14 -1.26 -0.79 118.33 117.52 1t60 n VAL 21 Ca 0.09 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 1t60 n VAL 21 Cb 0.43 -1.76 0.00 0.00 -1.06 0.00 0.00 33.84 31.45 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 3.97 0.29 3.26 7.55 0.00 -1.26 -5.05 105.19 113.95 1t60 n GLY 22 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.83 2.80 0.10 1.61 1.00 0.03 -4.94 119.30 119.08 1t60 s MET 23 Ca 0.00 -1.03 -0.30 0.00 0.00 0.00 0.00 55.69 54.36 1t60 s MET 23 Cb 0.00 -3.25 -0.06 0.00 0.00 0.00 0.00 34.83 31.52 1t60 s MET 23 CO 0.00 -0.51 1.07 0.54 0.00 0.00 0.00 175.02 176.12 1t60 s ASN 24 N 1.39 7.29 0.03 3.03 4.22 -1.24 -4.52 114.94 125.13 1t60 s ASN 24 Ca -0.00 1.93 -0.30 0.00 -2.14 0.00 0.00 52.86 52.35 1t60 s ASN 24 Cb -0.18 -2.59 -0.05 0.00 1.28 0.00 0.00 41.25 39.71 1t60 s ASN 24 CO 0.00 -0.26 1.15 -0.75 -2.04 0.00 0.00 177.10 175.21 1t60 s LYS 25 N 0.30 4.45 -0.04 3.55 2.20 -1.26 -1.08 119.74 127.85 1t60 s LYS 25 Ca 0.52 1.68 0.04 0.00 -0.36 0.00 0.00 55.97 57.85 1t60 s LYS 25 Cb -0.27 -3.40 -0.25 0.00 -1.51 0.00 0.00 37.83 32.41 1t60 s LYS 25 CO 0.31 -0.23 0.67 -0.07 -0.36 0.00 0.00 175.35 175.66 1t60 h LEU 26 N 6.96 0.18 0.00 5.43 3.38 -0.87 -3.48 115.31 126.92 1t60 h LEU 26 Ca -0.41 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.21 1t60 h LEU 26 Cb 1.21 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1t60 h LEU 26 CO 0.81 1.31 0.00 -2.67 0.09 0.00 0.00 178.44 177.97 1t60 n TRP 27 N -3.26 0.00 -4.46 1.13 2.14 -1.21 -5.01 117.44 106.77 1t60 n TRP 27 Ca -0.20 0.00 -0.24 0.00 2.07 0.00 0.00 57.50 59.14 1t60 n TRP 27 Cb 1.04 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 31.44 1t60 n TRP 27 CO 0.00 0.00 0.00 -1.12 2.07 0.00 0.00 177.69 178.64 1t60 s SER 28 N 0.00 3.53 0.00 -0.67 0.01 -1.26 -0.61 113.70 114.70 1t60 s SER 28 Ca 0.00 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.24 1t60 s SER 28 Cb 0.00 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.94 1t60 s SER 28 CO 0.00 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.29 1t60 n GLY 29 N -0.57 2.52 3.45 3.44 0.00 -0.32 -4.48 105.19 109.24 1t60 n GLY 29 Ca -0.06 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.97 2.69 -0.55 1.61 1.51 0.17 -1.73 117.35 120.08 1t60 s TYR 30 Ca 0.00 -0.25 -0.27 0.00 -1.01 0.00 0.00 57.07 55.54 1t60 s TYR 30 Cb 0.00 -1.65 -0.02 0.00 -0.11 0.00 0.00 41.96 40.18 1t60 s TYR 30 CO 0.00 0.11 1.90 -1.12 -1.11 0.00 0.00 175.55 175.33 1t60 s SER 31 N -0.57 5.31 -0.23 2.29 0.01 -0.37 -1.59 113.70 118.55 1t60 s SER 31 Ca 0.08 0.58 -0.16 0.00 1.31 0.00 0.00 55.95 57.76 1t60 s SER 31 Cb -0.11 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 1t60 s SER 31 CO 0.01 -2.30 0.43 -0.22 0.41 0.00 0.00 173.24 171.57 1t60 s LEU 32 N 8.94 4.11 -0.16 2.44 2.96 0.10 -1.38 118.68 135.70 1t60 s LEU 32 Ca 0.72 0.48 -0.12 0.00 -0.22 0.00 0.00 54.13 55.00 1t60 s LEU 32 Cb -0.15 -2.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.94 1t60 s LEU 32 CO 0.24 -0.15 -0.14 -0.11 -1.32 0.00 0.00 176.35 174.87 1t60 n LEU 33 N 4.88 1.83 -3.48 -0.68 7.94 -0.11 -4.63 117.00 122.75 1t60 n LEU 33 Ca -0.07 0.58 -0.09 0.00 -1.11 0.00 0.00 56.01 55.31 1t60 n LEU 33 Cb 0.51 -0.88 -0.02 0.00 0.53 0.00 0.00 43.42 43.56 1t60 n LEU 33 CO 0.40 -0.32 0.60 -0.72 -1.11 0.00 0.00 177.39 176.24 1t60 s TYR 34 N -2.32 -0.40 0.12 1.96 1.13 -1.09 -1.67 117.35 115.09 1t60 s TYR 34 Ca -0.19 0.25 0.04 0.00 -1.41 0.00 0.00 57.07 55.76 1t60 s TYR 34 Cb 0.03 0.54 -0.04 0.00 -1.10 0.00 0.00 41.96 41.40 1t60 s TYR 34 CO 0.30 -0.63 0.13 -0.06 -2.51 0.00 0.00 175.55 172.77 1t60 s PHE 35 N -3.30 3.20 -0.22 -3.49 0.08 -0.43 -0.47 117.98 113.35 1t60 s PHE 35 Ca 0.04 0.04 -0.00 0.00 0.12 0.00 0.00 56.93 57.13 1t60 s PHE 35 Cb -0.01 -1.58 0.06 0.00 -0.57 0.00 0.00 43.02 40.92 1t60 s PHE 35 CO -0.10 0.52 -0.03 -2.00 -0.10 0.00 0.00 175.22 173.51 1t60 s GLU 36 N -2.80 1.35 -0.11 0.44 2.12 -0.45 -0.93 118.70 118.32 1t60 s GLU 36 Ca 0.31 -0.81 0.03 0.00 0.36 0.00 0.00 54.97 54.86 1t60 s GLU 36 Cb -0.11 -2.43 0.01 0.00 0.26 0.00 0.00 34.13 31.86 1t60 s GLU 36 CO 0.23 -0.60 -0.21 0.20 -0.54 0.00 0.00 175.26 174.34 1t60 s GLY 37 N 1.53 1.26 -1.44 -1.50 0.00 -0.94 -2.06 107.32 104.17 1t60 s GLY 37 Ca -0.04 -0.94 -0.09 0.00 0.00 0.00 0.00 44.72 43.65 1t60 s GLY 37 CO -0.07 -0.09 0.98 -1.06 0.00 0.00 0.00 173.10 172.87 1t60 n GLN 38 N 3.86 -6.62 -3.75 2.90 1.13 -1.26 -1.86 117.38 111.78 1t60 n GLN 38 Ca -0.20 0.79 -0.29 0.00 -1.94 0.00 0.00 57.00 55.37 1t60 n GLN 38 Cb 0.52 -5.76 0.01 0.00 0.11 0.00 0.00 30.24 25.11 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 -4.67 -4.40 -4.11 -1.09 4.71 -1.26 -4.97 120.64 104.85 1t60 n GLU 39 Ca -0.02 0.54 -0.26 0.00 -0.01 0.00 0.00 57.16 57.41 1t60 n GLU 39 Cb 0.57 -5.34 -0.17 0.00 -1.01 0.00 0.00 31.44 25.49 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 -6.44 1.59 0.33 3.49 2.47 -0.78 -4.92 119.74 115.47 1t60 s LYS 40 Ca 0.58 -0.31 -0.26 0.00 -1.56 0.00 0.00 55.97 54.42 1t60 s LYS 40 Cb -0.30 -1.54 -0.10 0.00 -1.46 0.00 0.00 37.83 34.44 1t60 s LYS 40 CO 0.72 -0.18 0.98 0.00 0.16 0.00 0.00 175.35 177.03 1t60 s ALA 41 N 1.38 3.22 -0.19 3.13 0.00 -1.26 -2.22 121.76 125.82 1t60 s ALA 41 Ca -0.01 0.61 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 1t60 s ALA 41 Cb -0.14 -3.22 0.06 0.00 0.00 0.00 0.00 23.12 19.82 1t60 s ALA 41 CO -0.05 0.06 0.04 -1.58 0.00 0.00 0.00 175.76 174.24 1t60 s HIS 42 N -1.53 0.91 0.43 0.00 2.46 -0.11 -4.98 115.29 112.47 1t60 s HIS 42 Ca 0.50 -0.76 -0.01 0.00 0.47 0.00 0.00 55.06 55.26 1t60 s HIS 42 Cb -0.21 -0.98 -0.02 0.00 -0.13 0.00 0.00 32.58 31.24 1t60 s HIS 42 CO 0.27 -0.59 0.67 -0.80 -2.47 0.00 0.00 174.74 171.83 1t60 s ASN 43 N 1.90 6.05 -0.07 9.88 0.01 -1.26 -1.32 114.94 130.12 1t60 s ASN 43 Ca -0.00 0.50 0.05 0.00 -0.71 0.00 0.00 52.86 52.70 1t60 s ASN 43 Cb -0.17 -1.85 -0.01 0.00 0.41 0.00 0.00 41.25 39.63 1t60 s ASN 43 CO -0.08 -0.57 -0.23 -1.10 -1.51 0.00 0.00 177.10 173.60 1t60 s GLN 44 N -4.55 2.69 -0.03 -0.60 -1.52 -0.67 -4.97 119.66 110.01 1t60 s GLN 44 Ca 0.46 -0.88 -0.30 0.00 -1.95 0.00 0.00 55.36 52.69 1t60 s GLN 44 Cb -0.10 -2.23 -0.06 0.00 -0.22 0.00 0.00 33.01 30.41 1t60 s GLN 44 CO 0.39 0.35 1.56 0.34 -0.25 0.00 0.00 175.29 177.68 1t60 s ASP 45 N -0.07 6.73 0.00 5.90 -1.08 -1.26 -4.82 116.67 122.06 1t60 s ASP 45 Ca -0.06 2.19 0.03 0.00 -0.52 0.00 0.00 52.55 54.19 1t60 s ASP 45 Cb -0.14 -2.54 0.11 0.00 -1.46 0.00 0.00 42.92 38.88 1t60 s ASP 45 CO 0.05 -0.86 1.08 0.18 0.52 0.00 0.00 175.17 176.14 1t60 n LEU 46 N 6.44 0.00 -0.79 -1.34 4.77 -1.26 -1.02 117.00 123.79 1t60 n LEU 46 Ca 0.16 0.50 0.11 0.00 -0.03 0.00 0.00 56.01 56.75 1t60 n LEU 46 Cb 0.43 -0.50 0.07 0.00 -2.33 0.00 0.00 43.42 41.09 1t60 n LEU 46 CO 0.61 -0.46 0.53 0.61 -1.33 0.00 0.00 177.39 177.35 1t60 n GLY 47 N -1.23 0.64 3.69 -0.72 0.00 -1.26 -4.35 105.19 101.96 1t60 n GLY 47 Ca 0.01 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.01 3.48 0.59 0.99 1.43 -0.19 -4.39 118.68 118.57 1t60 s LEU 48 Ca 0.24 -0.19 0.28 0.00 -1.03 0.00 0.00 54.13 53.43 1t60 s LEU 48 Cb 0.18 -2.20 1.59 0.00 0.03 0.00 0.00 46.19 45.80 1t60 s LEU 48 CO 0.35 0.16 2.04 0.00 0.23 0.00 0.00 176.35 179.13 1t60 h ALA 49 N 3.30 1.93 0.00 4.21 0.00 -1.88 -1.78 119.26 125.05 1t60 h ALA 49 Ca -0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1t60 h ALA 49 Cb 1.17 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1t60 h ALA 49 CO 0.60 -0.41 -0.00 0.78 0.00 0.00 0.00 179.25 180.21 1t60 h GLY 50 N 0.00 0.00 0.81 0.00 0.00 -1.95 -0.73 103.07 101.20 1t60 h GLY 50 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 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 -3.15 0.34 -4.07 0.19 3.41 -0.67 -4.49 113.62 105.19 1t60 n SER 51 Ca -0.02 -0.89 -0.35 0.00 -0.26 0.00 0.00 58.87 57.35 1t60 n SER 51 Cb 0.11 -0.05 -0.12 0.00 -0.26 0.00 0.00 64.21 63.89 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 0.40 4.13 0.24 0.00 2.96 -0.62 -4.77 118.68 121.02 1t60 s LEU 53 Ca 0.13 0.65 -0.06 0.00 -0.22 0.00 0.00 54.13 54.63 1t60 s LEU 53 Cb -0.22 -2.70 0.30 0.00 0.50 0.00 0.00 46.19 44.06 1t60 s LEU 53 CO -0.04 -0.20 1.86 0.00 -1.32 0.00 0.00 176.35 176.65 1t60 h ALA 54 N 7.57 1.15 -3.23 5.97 0.00 -1.87 0.50 119.26 129.34 1t60 h ALA 54 Ca -0.33 -0.02 -0.67 0.00 0.00 0.00 0.00 54.91 53.90 1t60 h ALA 54 Cb 1.15 -0.26 -0.30 0.00 0.00 0.00 0.00 17.79 18.38 1t60 h ALA 54 CO 0.74 0.33 -0.81 1.03 0.00 0.00 0.00 179.25 180.54 1t60 s ARG 55 N -6.08 3.23 0.45 0.00 0.52 -1.26 -4.60 118.95 111.21 1t60 s ARG 55 Ca -0.13 -0.75 -0.06 0.00 -0.52 0.00 0.00 55.73 54.27 1t60 s ARG 55 Cb 0.18 -2.59 -0.04 0.00 0.52 0.00 0.00 34.95 33.01 1t60 s ARG 55 CO 0.79 0.07 0.76 0.12 0.02 0.00 0.00 175.30 177.06 1t60 s PHE 56 N 0.68 3.53 -0.25 -0.53 2.19 -1.26 -4.97 117.98 117.38 1t60 s PHE 56 Ca -0.08 0.86 -0.28 0.00 0.33 0.00 0.00 56.93 57.76 1t60 s PHE 56 Cb -0.16 -2.32 0.16 0.00 -1.31 0.00 0.00 43.02 39.39 1t60 s PHE 56 CO 0.02 -0.20 1.20 0.45 1.83 0.00 0.00 175.22 178.52 1t60 s SER 57 N -3.80 -0.23 0.35 6.13 0.15 -1.26 -5.00 113.70 110.04 1t60 s SER 57 Ca 0.48 0.35 0.27 0.00 0.70 0.00 0.00 55.95 57.75 1t60 s SER 57 Cb -0.10 0.32 1.15 0.00 -1.71 0.00 0.00 66.02 65.68 1t60 s SER 57 CO 0.40 -0.15 1.80 0.71 1.20 0.00 0.00 173.24 177.21 1t60 h THR 58 N 2.79 0.00 -2.40 6.45 1.35 -1.92 -3.32 112.91 115.86 1t60 h THR 58 Ca -0.20 -0.28 -0.56 0.00 -0.55 0.00 0.00 66.41 64.82 1t60 h THR 58 Cb 1.18 1.07 -0.37 0.00 -1.73 0.00 0.00 68.15 68.29 1t60 h THR 58 CO 0.21 0.00 -0.88 -0.32 -0.25 0.00 0.00 175.52 174.28 1t60 s MET 59 N -3.46 0.71 0.00 4.72 -2.45 -1.26 -3.64 119.30 113.92 1t60 s MET 59 Ca 0.03 -1.61 0.29 0.00 -1.25 0.00 0.00 55.69 53.15 1t60 s MET 59 Cb 0.09 -1.27 1.57 0.00 1.25 0.00 0.00 34.83 36.47 1t60 s MET 59 CO 0.42 -1.29 2.03 -2.30 1.05 0.00 0.00 175.02 174.93 1t60 n PRO 60 N 3.53 1.20 -4.31 4.11 -0.02 -1.25 -4.91 135.00 133.35 1t60 n PRO 60 Ca 0.20 -0.29 -0.16 0.00 -2.02 0.00 0.00 63.50 61.23 1t60 n PRO 60 Cb 0.43 -1.47 -0.10 0.00 -0.02 0.00 0.00 33.50 32.33 1t60 n PRO 60 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1t60 s PHE 61 N -1.99 1.50 0.24 6.00 -0.71 -1.26 -5.09 117.98 116.67 1t60 s PHE 61 Ca 0.43 -1.10 0.00 0.00 -1.04 0.00 0.00 56.93 55.22 1t60 s PHE 61 Cb 0.21 -0.88 -0.05 0.00 -1.21 0.00 0.00 43.02 41.09 1t60 s PHE 61 CO 0.34 -0.25 0.11 -0.48 -1.34 0.00 0.00 175.22 173.60 1t60 s LEU 62 N -3.29 1.45 0.05 -1.99 0.05 -1.26 -4.51 118.68 109.18 1t60 s LEU 62 Ca 0.34 -1.39 -0.02 0.00 0.05 0.00 0.00 54.13 53.11 1t60 s LEU 62 Cb 0.07 0.16 -0.03 0.00 -2.05 0.00 0.00 46.19 44.34 1t60 s LEU 62 CO 0.11 -0.77 0.00 -0.72 -0.55 0.00 0.00 176.35 174.42 1t60 s TYR 63 N -3.90 0.42 0.09 3.48 -0.85 -0.81 -4.99 117.35 110.79 1t60 s TYR 63 Ca 0.38 -0.91 0.03 0.00 -0.52 0.00 0.00 57.07 56.06 1t60 s TYR 63 Cb 0.07 -0.31 -0.04 0.00 0.38 0.00 0.00 41.96 42.07 1t60 s TYR 63 CO 0.13 -0.37 -0.09 0.00 -1.52 0.00 0.00 175.55 173.70 1t60 s ASN 65 N -2.50 3.74 0.63 0.00 2.20 -0.67 -5.00 114.94 113.34 1t60 s ASN 65 Ca 0.05 -1.04 0.22 0.00 -0.94 0.00 0.00 52.86 51.16 1t60 s ASN 65 Cb -0.02 -0.37 1.07 0.00 -2.00 0.00 0.00 41.25 39.93 1t60 s ASN 65 CO -0.01 -0.04 1.57 -0.65 -2.94 0.00 0.00 177.10 175.03 1t60 h PRO 66 N 2.15 0.00 -0.74 3.55 0.11 -2.02 -2.46 132.00 132.58 1t60 h PRO 66 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1t60 h PRO 66 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1t60 h PRO 66 CO 0.63 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.83 1t60 n GLY 67 N -1.46 0.98 3.53 -0.55 0.00 -1.26 -4.81 105.19 101.62 1t60 n GLY 67 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.02 -6.15 -4.16 1.61 10.43 -0.93 -5.01 116.55 112.33 1t60 n ASP 68 Ca 0.00 -0.52 -0.25 0.00 2.57 0.00 0.00 54.79 56.58 1t60 n ASP 68 Cb 0.19 -4.90 -0.16 0.00 1.84 0.00 0.00 41.12 38.09 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 -3.31 1.42 0.07 2.53 1.01 -1.23 -5.03 120.40 115.85 1t60 s VAL 69 Ca 0.56 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.85 1t60 s VAL 69 Cb -0.24 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1t60 s VAL 69 CO 0.71 0.40 -0.16 0.00 0.00 0.00 0.00 175.10 176.05 1t60 s TYR 71 N -1.16 1.74 -0.17 0.00 2.02 0.64 -4.98 117.35 115.44 1t60 s TYR 71 Ca 0.01 -0.75 -0.00 0.00 -0.37 0.00 0.00 57.07 55.96 1t60 s TYR 71 Cb -0.10 -1.27 0.00 0.00 -0.40 0.00 0.00 41.96 40.20 1t60 s TYR 71 CO 0.02 -0.39 -0.15 -0.47 -1.57 0.00 0.00 175.55 173.00 1t60 s TYR 72 N 0.88 2.81 -1.63 2.71 6.14 -1.26 -1.93 117.35 125.07 1t60 s TYR 72 Ca -0.10 -1.18 -0.16 0.00 0.64 0.00 0.00 57.07 56.27 1t60 s TYR 72 Cb -0.15 -1.93 0.13 0.00 0.42 0.00 0.00 41.96 40.42 1t60 s TYR 72 CO 0.01 -0.57 0.86 0.00 0.64 0.00 0.00 175.55 176.49 1t60 n ALA 73 N 4.33 -1.29 -1.14 3.97 0.00 -1.26 -4.87 120.51 120.25 1t60 n ALA 73 Ca -0.19 0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.41 1t60 n ALA 73 Cb 0.51 -3.86 0.15 0.00 0.00 0.00 0.00 19.45 16.25 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 -2.74 2.29 0.00 0.00 7.64 -1.26 -4.74 113.62 114.82 1t60 n SER 74 Ca 0.05 -3.20 0.00 0.00 1.01 0.00 0.00 58.87 56.73 1t60 n SER 74 Cb 0.51 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 -1.38 0.00 -1.99 1.43 0.63 -1.26 -5.08 116.66 109.01 1t60 n ARG 75 Ca 0.17 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 57.11 1t60 n ARG 75 Cb 0.65 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.60 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 1.34 -4.91 6.15 4.05 -1.26 -4.84 115.26 115.79 1t60 n ASN 76 Ca 0.00 -2.12 -0.27 0.00 0.45 0.00 0.00 54.58 52.63 1t60 n ASN 76 Cb 0.00 -0.38 0.06 0.00 1.23 0.00 0.00 39.78 40.69 1t60 n ASN 76 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 1t60 s ASP 77 N -2.77 5.01 0.29 1.20 -0.00 -1.26 -4.94 116.67 114.20 1t60 s ASP 77 Ca 0.32 0.68 0.03 0.00 -0.00 0.00 0.00 52.55 53.57 1t60 s ASP 77 Cb 0.36 -1.39 -0.03 0.00 -0.00 0.00 0.00 42.92 41.87 1t60 s ASP 77 CO -0.11 -1.51 0.28 -0.54 -0.00 0.00 0.00 175.17 173.29 1t60 s LYS 78 N -5.28 1.62 0.00 8.23 1.02 -0.87 -2.02 119.74 122.44 1t60 s LYS 78 Ca 0.59 -1.83 -0.02 0.00 0.02 0.00 0.00 55.97 54.72 1t60 s LYS 78 Cb -0.11 0.34 -0.01 0.00 -0.52 0.00 0.00 37.83 37.53 1t60 s LYS 78 CO 0.47 -0.60 0.03 -1.54 -0.92 0.00 0.00 175.35 172.78 1t60 s SER 79 N -3.28 0.10 -0.03 2.83 1.04 -0.91 -1.35 113.70 112.11 1t60 s SER 79 Ca 0.38 -0.25 0.06 0.00 0.48 0.00 0.00 55.95 56.62 1t60 s SER 79 Cb 0.03 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.26 1t60 s SER 79 CO 0.21 -0.22 -0.20 -0.31 0.98 0.00 0.00 173.24 173.70 1t60 s TYR 80 N -0.95 1.93 0.07 5.02 2.02 0.37 -0.75 117.35 125.06 1t60 s TYR 80 Ca -0.10 -0.47 0.04 0.00 -0.37 0.00 0.00 57.07 56.16 1t60 s TYR 80 Cb -0.06 -1.26 -0.03 0.00 -0.40 0.00 0.00 41.96 40.20 1t60 s TYR 80 CO -0.00 -0.11 -0.11 -1.58 -1.57 0.00 0.00 175.55 172.18 1t60 s TRP 81 N -0.26 1.00 0.47 2.71 0.52 -0.87 -0.94 118.94 121.57 1t60 s TRP 81 Ca 0.02 -0.55 -0.24 0.00 0.02 0.00 0.00 56.10 55.36 1t60 s TRP 81 Cb -0.10 -0.56 -0.07 0.00 -1.15 0.00 0.00 33.47 31.58 1t60 s TRP 81 CO 0.01 -0.01 1.27 -1.17 0.02 0.00 0.00 176.95 177.07 1t60 s LEU 82 N -1.96 4.03 0.47 2.99 2.96 -0.48 -0.81 118.68 125.88 1t60 s LEU 82 Ca -0.01 2.55 0.05 0.00 -0.22 0.00 0.00 54.13 56.49 1t60 s LEU 82 Cb -0.07 -4.14 -0.02 0.00 0.50 0.00 0.00 46.19 42.45 1t60 s LEU 82 CO 0.01 -1.08 0.13 -0.94 -1.32 0.00 0.00 176.35 173.15 1t60 s SER 83 N -1.04 4.26 0.08 3.68 1.04 -0.21 -1.14 113.70 120.37 1t60 s SER 83 Ca 0.64 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 55.69 1t60 s SER 83 Cb -0.35 0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.84 1t60 s SER 83 CO 0.43 -0.75 0.00 0.35 0.98 0.00 0.00 173.24 174.25 1t60 n THR 84 N -1.31 0.00 0.99 2.02 -2.24 -0.68 -4.53 114.28 108.53 1t60 n THR 84 Ca -0.08 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.80 1t60 n THR 84 Cb 0.66 -1.12 0.32 0.00 -2.10 0.00 0.00 70.33 68.09 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 -0.76 0.29 -1.59 4.28 -2.24 -1.26 -4.94 114.28 108.05 1t60 n THR 85 Ca 0.00 -0.45 -0.51 0.00 -2.27 0.00 0.00 64.05 60.82 1t60 n THR 85 Cb 0.00 0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 68.70 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 0.63 -0.73 -1.53 6.98 0.00 -1.26 -4.80 120.51 119.80 1t60 n ALA 86 Ca 0.17 0.50 -0.52 0.00 0.00 0.00 0.00 53.44 53.59 1t60 n ALA 86 Cb 0.40 -2.09 -0.05 0.00 0.00 0.00 0.00 19.45 17.71 1t60 n ALA 86 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1t60 n PRO 87 N 2.43 0.66 -1.58 0.00 -0.02 -1.26 -4.78 135.00 130.45 1t60 n PRO 87 Ca 0.17 0.23 -0.57 0.00 -2.02 0.00 0.00 63.50 61.32 1t60 n PRO 87 Cb 0.21 -1.66 -0.08 0.00 -0.02 0.00 0.00 33.50 31.95 1t60 n PRO 87 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1t60 n LEU 88 N 1.91 1.99 -4.56 2.45 -0.00 -1.26 -4.83 117.00 112.70 1t60 n LEU 88 Ca 0.17 0.85 -0.38 0.00 -0.00 0.00 0.00 56.01 56.65 1t60 n LEU 88 Cb 0.20 -1.12 0.04 0.00 -0.00 0.00 0.00 43.42 42.55 1t60 n LEU 88 CO 0.60 -0.59 0.38 -2.65 -0.00 0.00 0.00 177.39 175.13 1t60 n PRO 89 N 6.34 0.79 0.14 1.96 -0.02 -1.26 -4.96 135.00 137.98 1t60 n PRO 89 Ca 0.35 0.30 -0.07 0.00 -2.02 0.00 0.00 63.50 62.07 1t60 n PRO 89 Cb 0.11 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 1t60 n PRO 89 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t60 h MET 90 N 0.48 -0.39 0.00 -0.52 -0.00 -2.01 -3.47 114.93 109.02 1t60 h MET 90 Ca -0.47 0.03 -0.42 0.00 -0.00 0.00 0.00 59.70 58.84 1t60 h MET 90 Cb 1.37 0.09 -0.11 0.00 -0.00 0.00 0.00 31.60 32.96 1t60 h MET 90 CO 0.50 -0.26 -0.40 -1.33 -0.00 0.00 0.00 176.91 175.42 1t60 n MET 91 N -3.32 0.39 -1.64 -0.10 2.81 -1.26 -5.11 117.12 108.89 1t60 n MET 91 Ca -0.05 -2.84 -0.42 0.00 -1.81 0.00 0.00 57.70 52.57 1t60 n MET 91 Cb 0.17 2.22 -0.00 0.00 -0.71 0.00 0.00 33.22 34.90 1t60 n MET 91 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1t60 n PRO 92 N -0.57 1.66 -3.50 0.03 -0.02 -1.26 -4.97 135.00 126.37 1t60 n PRO 92 Ca 0.05 0.59 -0.38 0.00 -2.02 0.00 0.00 63.50 61.74 1t60 n PRO 92 Cb 0.51 -2.12 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 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 -1.16 5.15 0.06 -1.45 -7.23 -0.31 -4.91 120.40 110.56 1t60 s VAL 93 Ca 0.59 0.76 0.05 0.00 -1.81 0.00 0.00 61.98 61.57 1t60 s VAL 93 Cb -0.59 -3.69 -0.04 0.00 0.56 0.00 0.00 36.38 32.62 1t60 s VAL 93 CO 0.59 0.49 -0.06 0.00 -0.31 0.00 0.00 175.10 175.82 1t60 s ALA 94 N -0.43 3.09 0.00 1.32 0.00 -1.26 -1.68 121.76 122.80 1t60 s ALA 94 Ca 0.22 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1t60 s ALA 94 Cb -0.15 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1t60 s ALA 94 CO 0.10 0.65 0.00 0.39 0.00 0.00 0.00 175.76 176.90 1t60 n GLU 95 N 0.95 0.00 0.30 0.00 1.02 -0.91 -0.79 120.64 121.20 1t60 n GLU 95 Ca -0.13 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.19 1t60 n GLU 95 Cb 0.52 0.00 0.96 0.00 -0.02 0.00 0.00 31.44 32.90 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 -0.25 114.58 124.95 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 -3.22 0.00 0.13 3.06 10.43 0.02 -3.09 116.55 123.89 1t60 n ASP 97 Ca -0.01 0.01 -0.22 0.00 2.57 0.00 0.00 54.79 57.13 1t60 n ASP 97 Cb 0.27 -0.31 -0.15 0.00 1.84 0.00 0.00 41.12 42.77 1t60 n ASP 97 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 1t60 h ILE 98 N 0.00 1.30 -0.85 0.53 2.04 -1.15 -3.39 117.51 115.98 1t60 h ILE 98 Ca 0.00 -2.77 0.14 0.00 1.00 0.00 0.00 64.86 63.23 1t60 h ILE 98 Cb 0.23 3.00 -0.14 0.00 -0.74 0.00 0.00 36.82 39.17 1t60 h ILE 98 CO 0.00 0.83 -0.31 -1.14 0.00 0.00 0.00 178.15 177.54 1t60 n ARG 99 N -3.66 -0.17 0.15 2.37 0.63 -1.18 -0.28 116.66 114.52 1t60 n ARG 99 Ca -0.16 1.32 0.10 0.00 -0.92 0.00 0.00 57.85 58.19 1t60 n ARG 99 Cb 1.09 -1.96 0.54 0.00 0.45 0.00 0.00 32.46 32.58 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 -5.29 0.13 0.03 -0.14 -0.02 -1.26 -2.41 135.00 126.04 1t60 n PRO 100 Ca 0.10 0.62 0.11 0.00 -2.02 0.00 0.00 63.50 62.31 1t60 n PRO 100 Cb 0.36 -1.92 -0.05 0.00 -0.02 0.00 0.00 33.50 31.87 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 -2.20 0.34 -3.12 6.00 4.01 0.61 -4.54 117.16 118.27 1t60 n TYR 101 Ca -0.01 0.10 -0.40 0.00 -0.16 0.00 0.00 57.90 57.43 1t60 n TYR 101 Cb 0.04 -0.56 -0.06 0.00 -0.31 0.00 0.00 39.34 38.44 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 -3.33 5.01 0.55 -0.72 -1.09 -1.01 -1.69 121.20 118.92 1t60 s ILE 102 Ca -0.01 1.17 -0.21 0.00 -2.23 0.00 0.00 60.65 59.38 1t60 s ILE 102 Cb 0.13 -3.94 -0.05 0.00 -1.58 0.00 0.00 42.46 37.02 1t60 s ILE 102 CO 0.84 0.09 1.28 -0.55 -1.23 0.00 0.00 174.94 175.37 1t60 s SER 103 N 1.26 5.36 0.30 3.58 0.15 -0.30 -4.38 113.70 119.66 1t60 s SER 103 Ca 0.28 2.57 0.07 0.00 0.70 0.00 0.00 55.95 59.58 1t60 s SER 103 Cb -0.16 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.50 1t60 s SER 103 CO 0.10 -1.49 0.24 -0.13 1.20 0.00 0.00 173.24 173.15 1t60 s ARG 104 N -3.01 2.79 0.19 5.44 1.81 -0.75 -1.24 118.95 124.18 1t60 s ARG 104 Ca 0.73 -1.20 -0.07 0.00 -1.72 0.00 0.00 55.73 53.46 1t60 s ARG 104 Cb -0.35 -2.50 -0.02 0.00 -0.45 0.00 0.00 34.95 31.63 1t60 s ARG 104 CO 0.41 0.23 0.26 0.00 -0.68 0.00 0.00 175.30 175.52 1t60 s SER 106 N -3.04 -0.08 -0.22 0.00 0.01 -0.53 -1.17 113.70 108.66 1t60 s SER 106 Ca 0.26 0.12 -0.04 0.00 1.31 0.00 0.00 55.95 57.59 1t60 s SER 106 Cb 0.04 0.23 -0.01 0.00 0.21 0.00 0.00 66.02 66.49 1t60 s SER 106 CO 0.06 -0.11 -0.02 -0.69 0.41 0.00 0.00 173.24 172.88 1t60 s VAL 107 N -0.28 3.52 -0.07 3.43 1.01 0.22 -1.92 120.40 126.32 1t60 s VAL 107 Ca -0.03 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1t60 s VAL 107 Cb -0.03 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1t60 s VAL 107 CO 0.00 0.41 -0.17 0.00 0.00 0.00 0.00 175.10 175.34 1t60 s GLU 109 N -0.24 3.82 0.23 0.00 2.12 -0.24 -0.52 118.70 123.85 1t60 s GLU 109 Ca 0.00 0.93 0.06 0.00 0.36 0.00 0.00 54.97 56.32 1t60 s GLU 109 Cb -0.13 -3.89 -0.04 0.00 0.26 0.00 0.00 34.13 30.34 1t60 s GLU 109 CO 0.03 -1.25 0.21 0.00 -0.54 0.00 0.00 175.26 173.71 1t60 s ALA 110 N 4.46 3.64 0.12 6.30 0.00 0.31 -3.74 121.76 132.85 1t60 s ALA 110 Ca 0.52 -1.34 -0.15 0.00 0.00 0.00 0.00 51.96 51.00 1t60 s ALA 110 Cb -0.12 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 1t60 s ALA 110 CO 0.26 0.32 1.54 -1.35 0.00 0.00 0.00 175.76 176.53 1t60 h PRO 111 N 1.68 0.71 -4.52 0.00 0.11 -1.92 -2.22 132.00 125.84 1t60 h PRO 111 Ca -0.49 -0.25 -0.22 0.00 0.11 0.00 0.00 66.00 65.15 1t60 h PRO 111 Cb 1.23 -0.05 -0.15 0.00 0.11 0.00 0.00 31.00 32.14 1t60 h PRO 111 CO 0.62 0.83 -0.59 0.00 -0.21 0.00 0.00 178.00 178.64 1t60 s ALA 112 N -4.88 1.06 0.47 -0.75 0.00 -1.26 -2.75 121.76 113.64 1t60 s ALA 112 Ca -0.13 -1.63 -0.23 0.00 0.00 0.00 0.00 51.96 49.97 1t60 s ALA 112 Cb 0.10 1.32 -0.07 0.00 0.00 0.00 0.00 23.12 24.47 1t60 s ALA 112 CO 0.80 -0.59 1.21 0.14 0.00 0.00 0.00 175.76 177.31 1t60 s VAL 113 N -4.14 2.90 0.12 0.00 -7.23 -1.26 -4.75 120.40 106.04 1t60 s VAL 113 Ca 0.37 0.69 0.06 0.00 -1.81 0.00 0.00 61.98 61.28 1t60 s VAL 113 Cb 0.07 -3.36 -0.04 0.00 0.56 0.00 0.00 36.38 33.61 1t60 s VAL 113 CO 0.11 0.00 0.01 0.00 -0.31 0.00 0.00 175.10 174.91 1t60 s ALA 114 N -1.48 3.28 0.18 1.32 0.00 -1.26 -4.14 121.76 119.66 1t60 s ALA 114 Ca 0.64 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 1t60 s ALA 114 Cb -0.31 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1t60 s ALA 114 CO 0.38 0.62 0.11 0.96 0.00 0.00 0.00 175.76 177.84 1t60 s ILE 115 N -1.46 0.03 0.02 0.00 -4.36 0.07 -4.76 121.20 110.74 1t60 s ILE 115 Ca 0.26 -1.98 0.08 0.00 -0.26 0.00 0.00 60.65 58.76 1t60 s ILE 115 Cb -0.11 -2.38 -0.02 0.00 1.25 0.00 0.00 42.46 41.19 1t60 s ILE 115 CO 0.19 -0.12 -0.24 0.00 0.24 0.00 0.00 174.94 175.01 1t60 s ALA 116 N -4.13 2.01 0.04 2.27 0.00 -0.23 -0.61 121.76 121.11 1t60 s ALA 116 Ca 0.35 -1.12 0.06 0.00 0.00 0.00 0.00 51.96 51.26 1t60 s ALA 116 Cb 0.07 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1t60 s ALA 116 CO 0.09 0.47 -0.18 0.14 0.00 0.00 0.00 175.76 176.29 1t60 s VAL 117 N -0.71 1.45 -0.02 0.00 -7.23 -0.61 -4.46 120.40 108.81 1t60 s VAL 117 Ca 0.10 -1.11 0.06 0.00 -1.81 0.00 0.00 61.98 59.21 1t60 s VAL 117 Cb -0.09 -1.27 -0.01 0.00 0.56 0.00 0.00 36.38 35.56 1t60 s VAL 117 CO 0.01 0.13 -0.20 -1.00 -0.31 0.00 0.00 175.10 173.74 1t60 s HIS 118 N -0.80 1.80 -0.09 2.82 3.76 -1.26 -2.28 115.29 119.24 1t60 s HIS 118 Ca 0.05 -0.40 0.13 0.00 -0.15 0.00 0.00 55.06 54.69 1t60 s HIS 118 Cb -0.08 -1.17 -0.24 0.00 1.11 0.00 0.00 32.58 32.20 1t60 s HIS 118 CO 0.02 -0.07 0.49 -1.13 -0.85 0.00 0.00 174.74 173.19 1t60 n SER 119 N 2.74 0.75 -2.92 1.40 3.41 -0.85 -4.93 113.62 113.21 1t60 n SER 119 Ca -0.16 0.29 -0.22 0.00 -0.26 0.00 0.00 58.87 58.52 1t60 n SER 119 Cb 0.53 0.15 0.03 0.00 -0.26 0.00 0.00 64.21 64.65 1t60 n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 n GLN 120 N -3.00 -4.27 -3.93 4.33 6.02 -1.26 -4.92 117.38 110.35 1t60 n GLN 120 Ca -0.22 0.91 -0.09 0.00 -0.01 0.00 0.00 57.00 57.59 1t60 n GLN 120 Cb 1.08 -5.74 -0.07 0.00 1.02 0.00 0.00 30.24 26.54 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 -2.58 0.01 0.51 1.08 -1.08 -1.26 -0.02 116.67 113.32 1t60 s ASP 121 Ca 0.25 -0.81 0.30 0.00 -0.52 0.00 0.00 52.55 51.77 1t60 s ASP 121 Cb -0.11 0.45 1.03 0.00 -1.46 0.00 0.00 42.92 42.82 1t60 s ASP 121 CO 0.31 -0.90 1.86 -0.37 0.52 0.00 0.00 175.17 176.59 1t60 h VAL 122 N 2.51 0.03 -3.59 1.11 -1.51 -1.88 -3.19 116.25 109.73 1t60 h VAL 122 Ca -0.31 -0.70 -0.52 0.00 -1.23 0.00 0.00 66.70 63.94 1t60 h VAL 122 Cb 1.23 1.68 -0.03 0.00 -2.13 0.00 0.00 31.29 32.04 1t60 h VAL 122 CO 0.47 0.01 0.17 -0.94 -1.23 0.00 0.00 177.57 176.05 1t60 s SER 123 N -5.88 7.24 0.09 4.19 1.04 -1.26 -4.87 113.70 114.25 1t60 s SER 123 Ca 0.03 1.57 -0.31 0.00 0.48 0.00 0.00 55.95 57.72 1t60 s SER 123 Cb 0.08 -2.48 -0.07 0.00 0.10 0.00 0.00 66.02 63.65 1t60 s SER 123 CO 0.59 0.10 1.41 -0.63 0.98 0.00 0.00 173.24 175.68 1t60 s ILE 124 N -1.37 3.38 0.51 -1.02 1.01 -1.26 -4.70 121.20 117.74 1t60 s ILE 124 Ca 0.41 0.94 -0.23 0.00 0.00 0.00 0.00 60.65 61.77 1t60 s ILE 124 Cb -0.20 -3.60 -0.06 0.00 0.01 0.00 0.00 42.46 38.61 1t60 s ILE 124 CO 0.24 0.05 1.32 -2.16 0.00 0.00 0.00 174.94 174.39 1t60 s PRO 125 N 1.49 3.39 0.12 2.79 0.04 -1.26 -4.97 135.00 136.59 1t60 s PRO 125 Ca 0.65 2.15 -0.26 0.00 0.04 0.00 0.00 61.00 63.58 1t60 s PRO 125 Cb -0.36 -2.37 -0.07 0.00 0.04 0.00 0.00 34.50 31.75 1t60 s PRO 125 CO 0.30 -0.96 0.81 -1.58 0.04 0.00 0.00 177.00 175.61 1t60 s HIS 126 N -1.34 3.83 0.32 0.56 2.46 -1.26 -4.68 115.29 115.18 1t60 s HIS 126 Ca 0.68 1.62 -0.29 0.00 0.47 0.00 0.00 55.06 57.54 1t60 s HIS 126 Cb -0.38 -2.85 -0.10 0.00 -0.13 0.00 0.00 32.58 29.12 1t60 s HIS 126 CO 0.46 0.37 1.26 0.00 -2.47 0.00 0.00 174.74 174.36 1t60 n PRO 128 N 0.95 -0.23 -2.21 0.00 -0.02 -1.26 -4.78 135.00 127.44 1t60 n PRO 128 Ca -0.00 -0.04 -0.42 0.00 -2.02 0.00 0.00 63.50 61.01 1t60 n PRO 128 Cb 0.42 -1.51 -0.03 0.00 -0.02 0.00 0.00 33.50 32.37 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 -2.23 3.60 0.00 3.55 0.00 -1.26 -1.97 121.76 123.45 1t60 s ALA 129 Ca 0.50 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1t60 s ALA 129 Cb -0.19 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1t60 s ALA 129 CO 0.73 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1t60 n GLY 130 N 3.72 0.58 3.18 0.00 0.00 -1.26 -5.07 105.19 106.35 1t60 n GLY 130 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 1.99 0.22 1.61 0.52 -0.83 -4.40 118.94 116.05 1t60 s TRP 131 Ca 0.00 -0.59 0.05 0.00 0.02 0.00 0.00 56.10 55.58 1t60 s TRP 131 Cb 0.00 -1.32 -0.03 0.00 -1.15 0.00 0.00 33.47 30.96 1t60 s TRP 131 CO 0.00 -0.19 0.30 -0.98 0.02 0.00 0.00 176.95 176.10 1t60 s ARG 132 N -0.02 3.31 0.12 4.98 1.70 0.12 -4.54 118.95 124.61 1t60 s ARG 132 Ca -0.04 -0.80 -0.27 0.00 -0.47 0.00 0.00 55.73 54.15 1t60 s ARG 132 Cb -0.12 -2.83 -0.07 0.00 -0.57 0.00 0.00 34.95 31.36 1t60 s ARG 132 CO 0.03 0.44 0.83 0.45 -1.08 0.00 0.00 175.30 175.97 1t60 s SER 133 N -3.79 7.37 -0.09 -2.89 0.15 -1.26 -1.04 113.70 112.14 1t60 s SER 133 Ca 0.34 1.63 0.14 0.00 0.70 0.00 0.00 55.95 58.76 1t60 s SER 133 Cb -0.09 -2.52 -0.20 0.00 -1.71 0.00 0.00 66.02 61.50 1t60 s SER 133 CO 0.28 0.07 0.16 0.18 1.20 0.00 0.00 173.24 175.13 1t60 n LEU 134 N 2.30 0.00 0.00 3.45 4.77 0.11 -4.94 117.00 122.69 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 0.49 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1t60 n LEU 134 CO 0.48 0.21 0.00 -2.67 -1.33 0.00 0.00 177.39 174.08 1t60 n TRP 135 N -2.33 0.00 -4.41 -1.77 2.14 -1.23 -4.99 117.44 104.84 1t60 n TRP 135 Ca -0.15 0.00 -0.27 0.00 2.07 0.00 0.00 57.50 59.15 1t60 n TRP 135 Cb 0.74 0.00 -0.12 0.00 -0.81 0.00 0.00 31.31 31.13 1t60 n TRP 135 CO 0.00 0.00 0.00 0.96 2.07 0.00 0.00 177.69 180.72 1t60 s ILE 136 N -2.00 2.43 0.00 -1.67 -4.36 -1.26 -1.26 121.20 113.07 1t60 s ILE 136 Ca 0.00 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.40 1t60 s ILE 136 Cb 0.00 -2.16 0.00 0.00 1.25 0.00 0.00 42.46 41.55 1t60 s ILE 136 CO 0.00 -0.11 0.00 0.61 0.24 0.00 0.00 174.94 175.68 1t60 n GLY 137 N 0.27 3.10 3.31 6.27 0.00 -0.39 -4.45 105.19 113.31 1t60 n GLY 137 Ca -0.13 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.02 2.05 -0.72 1.61 1.51 0.67 -1.99 117.35 119.46 1t60 s TYR 138 Ca 0.00 -0.39 -0.26 0.00 -1.01 0.00 0.00 57.07 55.41 1t60 s TYR 138 Cb 0.00 -1.18 -0.01 0.00 -0.11 0.00 0.00 41.96 40.66 1t60 s TYR 138 CO 0.00 0.18 1.73 -1.12 -1.11 0.00 0.00 175.55 175.23 1t60 s SER 139 N -1.55 5.52 -0.38 2.29 0.01 -0.41 -2.27 113.70 116.90 1t60 s SER 139 Ca 0.10 -0.15 -0.20 0.00 1.31 0.00 0.00 55.95 57.01 1t60 s SER 139 Cb -0.10 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.60 1t60 s SER 139 CO 0.03 -2.28 0.63 0.12 0.41 0.00 0.00 173.24 172.16 1t60 s PHE 140 N 8.29 3.13 -0.19 2.43 5.36 -0.45 -2.02 117.98 134.54 1t60 s PHE 140 Ca 0.60 0.23 -0.15 0.00 -0.96 0.00 0.00 56.93 56.64 1t60 s PHE 140 Cb -0.10 -3.18 -0.08 0.00 -0.34 0.00 0.00 43.02 39.33 1t60 s PHE 140 CO 0.13 -0.69 -0.25 -0.11 -1.46 0.00 0.00 175.22 172.84 1t60 n LEU 141 N 6.09 1.90 0.00 6.12 7.94 0.04 -4.51 117.00 134.58 1t60 n LEU 141 Ca -0.02 0.42 -0.12 0.00 -1.11 0.00 0.00 56.01 55.19 1t60 n LEU 141 Cb 0.48 -0.81 0.00 0.00 0.53 0.00 0.00 43.42 43.62 1t60 n LEU 141 CO 0.50 -0.12 0.37 1.15 -1.11 0.00 0.00 177.39 178.18 1t60 n MET 142 N -4.46 0.96 -3.56 1.96 0.00 -1.08 -0.18 117.12 110.75 1t60 n MET 142 Ca -0.21 -2.54 -0.11 0.00 0.00 0.00 0.00 57.70 54.83 1t60 n MET 142 Cb 0.54 2.80 -0.04 0.00 0.00 0.00 0.00 33.22 36.52 1t60 n MET 142 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 1t60 s HIS 143 N -2.45 -0.32 0.05 3.17 -3.43 0.65 -0.19 115.29 112.77 1t60 s HIS 143 Ca 0.22 0.04 -0.09 0.00 -0.80 0.00 0.00 55.06 54.43 1t60 s HIS 143 Cb -0.03 0.37 0.00 0.00 -1.43 0.00 0.00 32.58 31.49 1t60 s HIS 143 CO 0.16 -0.77 0.19 0.95 -2.00 0.00 0.00 174.74 173.28 1t60 s THR 144 N -3.79 0.11 0.00 -5.38 -4.23 -0.91 -1.33 115.64 100.12 1t60 s THR 144 Ca 0.03 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1t60 s THR 144 Cb 0.01 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.87 1t60 s THR 144 CO -0.12 -0.52 0.00 0.00 -0.54 0.00 0.00 174.62 173.44 1t60 n ALA 145 N 0.57 0.00 -1.70 3.99 0.00 -0.67 -1.08 120.51 121.63 1t60 n ALA 145 Ca -0.18 0.00 -0.44 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 1.58 -0.86 0.00 0.00 -1.26 -4.52 120.51 112.44 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 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.12 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 2.05 3.37 0.11 0.00 0.00 -1.26 -1.72 105.19 107.74 1t60 n GLY 147 Ca 0.10 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 3.88 2.08 -4.81 1.61 3.85 -1.26 -5.03 116.55 116.87 1t60 n ASP 148 Ca 0.00 -2.89 -0.33 0.00 -0.71 0.00 0.00 54.79 50.86 1t60 n ASP 148 Cb 0.00 -0.37 -0.03 0.00 -1.35 0.00 0.00 41.12 39.37 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 -2.45 3.79 0.00 0.11 0.41 -0.70 -4.87 118.70 114.99 1t60 s GLU 149 Ca 0.26 1.20 0.00 0.00 -0.41 0.00 0.00 54.97 56.02 1t60 s GLU 149 Cb 0.23 -2.10 0.00 0.00 -1.78 0.00 0.00 34.13 30.48 1t60 s GLU 149 CO 0.02 -0.42 0.00 0.41 -0.49 0.00 0.00 175.26 174.79 1t60 n GLY 150 N -0.75 -0.82 0.00 -1.39 0.00 -1.26 -1.66 105.19 99.31 1t60 n GLY 150 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.04 3.79 -0.02 0.00 -0.44 -4.78 105.19 102.70 1t60 n GLY 151 Ca 0.00 -0.77 -0.06 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.17 0.26 -0.02 0.00 -1.26 -0.25 107.32 105.87 1t60 s GLY 152 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 44.72 44.69 1t60 s GLY 152 CO 0.00 -0.04 0.28 1.20 0.00 0.00 0.00 173.10 174.54 1t60 s GLN 153 N -3.69 3.09 -0.18 2.90 -1.52 0.74 -4.95 119.66 116.06 1t60 s GLN 153 Ca 0.11 -0.98 -0.23 0.00 -1.95 0.00 0.00 55.36 52.31 1t60 s GLN 153 Cb -0.04 -2.68 -0.02 0.00 -0.22 0.00 0.00 33.01 30.05 1t60 s GLN 153 CO 0.04 0.36 0.74 0.45 -0.25 0.00 0.00 175.29 176.63 1t60 s SER 154 N -3.92 6.84 0.00 5.90 0.15 -1.26 -4.91 113.70 116.49 1t60 s SER 154 Ca 0.35 1.02 0.06 0.00 0.70 0.00 0.00 55.95 58.08 1t60 s SER 154 Cb -0.08 -2.41 0.27 0.00 -1.71 0.00 0.00 66.02 62.09 1t60 s SER 154 CO 0.27 -0.34 1.15 0.18 1.20 0.00 0.00 173.24 175.69 1t60 n LEU 155 N 5.13 0.00 -0.05 3.45 4.77 -1.26 -0.96 117.00 128.08 1t60 n LEU 155 Ca 0.02 0.43 0.09 0.00 -0.03 0.00 0.00 56.01 56.52 1t60 n LEU 155 Cb 0.49 -0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 1t60 n LEU 155 CO 0.46 -0.35 -0.01 0.55 -1.33 0.00 0.00 177.39 176.72 1t60 n VAL 156 N -1.43 0.00 -3.18 4.08 3.14 -1.26 -4.51 118.33 115.16 1t60 n VAL 156 Ca 0.02 -0.08 -0.37 0.00 -2.96 0.00 0.00 64.34 60.95 1t60 n VAL 156 Cb 0.06 1.03 -0.06 0.00 -1.06 0.00 0.00 33.84 33.81 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 -2.74 7.07 0.65 6.55 0.15 -0.13 -1.07 113.70 124.18 1t60 s SER 157 Ca 0.08 1.34 0.34 0.00 0.70 0.00 0.00 55.95 58.41 1t60 s SER 157 Cb 0.15 -2.39 1.85 0.00 -1.71 0.00 0.00 66.02 63.91 1t60 s SER 157 CO 0.75 0.15 2.07 -0.65 1.20 0.00 0.00 173.24 176.76 1t60 h PRO 158 N 3.92 0.00 0.00 5.44 0.11 -1.85 -0.29 132.00 139.33 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 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1t60 h PRO 158 CO 0.65 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.22 1t60 h GLY 159 N 0.00 0.00 -0.74 -0.55 0.00 -1.85 -1.38 103.07 98.54 1t60 h GLY 159 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 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 -3.00 1.49 -3.80 0.19 3.41 -0.12 -4.59 113.62 107.20 1t60 n SER 160 Ca -0.01 -1.74 -0.30 0.00 -0.26 0.00 0.00 58.87 56.56 1t60 n SER 160 Cb 0.17 -0.12 -0.14 0.00 -0.26 0.00 0.00 64.21 63.87 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 0.84 4.35 0.41 0.00 1.43 -0.96 -4.78 118.68 119.96 1t60 s LEU 162 Ca 0.14 0.80 0.10 0.00 -1.03 0.00 0.00 54.13 54.13 1t60 s LEU 162 Cb -0.21 -2.57 0.86 0.00 0.03 0.00 0.00 46.19 44.30 1t60 s LEU 162 CO -0.10 0.16 1.97 -0.33 0.23 0.00 0.00 176.35 178.28 1t60 h GLU 163 N 5.89 0.27 -5.22 1.70 5.08 -1.89 0.19 114.58 120.61 1t60 h GLU 163 Ca -0.45 -0.05 -0.67 0.00 -1.00 0.00 0.00 59.36 57.19 1t60 h GLU 163 Cb 1.19 -0.05 -0.31 0.00 0.50 0.00 0.00 28.75 30.08 1t60 h GLU 163 CO 0.70 0.33 -0.82 0.34 -1.00 0.00 0.00 179.01 178.55 1t60 s ASP 164 N -6.87 3.51 0.19 1.42 3.68 -1.26 -4.65 116.67 112.70 1t60 s ASP 164 Ca -0.06 -0.50 -0.30 0.00 2.13 0.00 0.00 52.55 53.82 1t60 s ASP 164 Cb 0.16 -1.53 -0.08 0.00 -1.45 0.00 0.00 42.92 40.03 1t60 s ASP 164 CO 0.72 0.10 1.05 0.12 0.13 0.00 0.00 175.17 177.29 1t60 s PHE 165 N 0.74 3.69 -0.06 -5.34 2.19 -1.26 -4.94 117.98 113.00 1t60 s PHE 165 Ca -0.07 1.70 -0.03 0.00 0.33 0.00 0.00 56.93 58.86 1t60 s PHE 165 Cb -0.16 -3.19 0.04 0.00 -1.31 0.00 0.00 43.02 38.39 1t60 s PHE 165 CO 0.01 -0.30 0.13 1.03 1.83 0.00 0.00 175.22 177.92 1t60 s ARG 166 N -0.62 0.08 0.34 10.12 1.81 -1.26 -5.02 118.95 124.40 1t60 s ARG 166 Ca 0.47 0.34 0.04 0.00 -1.72 0.00 0.00 55.73 54.85 1t60 s ARG 166 Cb -0.28 -0.17 0.61 0.00 -0.45 0.00 0.00 34.95 34.66 1t60 s ARG 166 CO 0.35 -0.15 1.90 0.00 -0.68 0.00 0.00 175.30 176.71 1t60 h ALA 167 N 7.15 1.40 -2.96 2.13 0.00 -1.99 -3.31 119.26 121.67 1t60 h ALA 167 Ca -0.42 -0.17 -0.61 0.00 0.00 0.00 0.00 54.91 53.71 1t60 h ALA 167 Cb 1.14 -0.17 -0.40 0.00 0.00 0.00 0.00 17.79 18.36 1t60 h ALA 167 CO 0.43 0.43 -0.73 0.99 0.00 0.00 0.00 179.25 180.37 1t60 s THR 168 N -5.11 1.55 -2.00 0.00 2.01 -1.26 -4.02 115.64 106.80 1t60 s THR 168 Ca -0.08 -2.82 0.21 0.00 0.31 0.00 0.00 61.69 59.31 1t60 s THR 168 Cb 0.16 -2.07 0.60 0.00 0.01 0.00 0.00 72.50 71.20 1t60 s THR 168 CO 0.77 -0.94 1.80 -0.81 -0.69 0.00 0.00 174.62 174.75 1t60 n PRO 169 N 3.26 0.99 -4.02 4.92 -0.04 -1.25 -4.88 135.00 133.97 1t60 n PRO 169 Ca 0.12 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 1t60 n PRO 169 Cb 0.36 -1.33 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 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 0.55 0.12 0.54 -0.71 -1.26 -1.05 117.98 114.17 1t60 s PHE 170 Ca 0.32 -0.92 0.07 0.00 -1.04 0.00 0.00 56.93 55.35 1t60 s PHE 170 Cb 0.15 -0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 1t60 s PHE 170 CO 0.24 -0.63 -0.16 -1.50 -1.34 0.00 0.00 175.22 171.84 1t60 s ILE 171 N -3.99 1.45 -0.15 -4.49 2.07 0.01 -4.78 121.20 111.32 1t60 s ILE 171 Ca 0.19 -1.69 -0.05 0.00 -1.41 0.00 0.00 60.65 57.68 1t60 s ILE 171 Cb 0.05 -1.55 -0.03 0.00 0.13 0.00 0.00 42.46 41.06 1t60 s ILE 171 CO -0.00 -0.33 0.01 -0.70 -1.91 0.00 0.00 174.94 172.00 1t60 s GLU 172 N -2.51 3.69 -0.15 3.50 2.12 -1.09 -2.06 118.70 122.20 1t60 s GLU 172 Ca 0.09 -0.43 -0.00 0.00 0.36 0.00 0.00 54.97 54.99 1t60 s GLU 172 Cb -0.06 -3.01 -0.00 0.00 0.26 0.00 0.00 34.13 31.31 1t60 s GLU 172 CO 0.04 0.33 -0.14 0.00 -0.54 0.00 0.00 175.26 174.94 1t60 s ASN 174 N 0.77 6.30 0.00 0.00 3.04 0.13 -2.15 114.94 123.03 1t60 s ASN 174 Ca -0.06 0.19 0.00 0.00 0.04 0.00 0.00 52.86 53.04 1t60 s ASN 174 Cb -0.15 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 37.01 1t60 s ASN 174 CO 0.01 -1.58 0.28 0.61 -3.04 0.00 0.00 177.10 173.38 1t60 n GLY 175 N 5.15 -2.08 0.26 1.21 0.00 -0.86 -1.81 105.19 107.06 1t60 n GLY 175 Ca 0.10 0.45 0.13 0.00 0.00 0.00 0.00 46.02 46.70 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 -1.48 1.23 0.00 4.61 0.00 -1.85 -2.88 119.26 118.88 1t60 h ALA 176 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1t60 h ALA 176 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1t60 h ALA 176 CO 0.00 0.16 -0.07 -0.09 0.00 0.00 0.00 179.25 179.24 1t60 h ARG 177 N 0.00 0.00 -1.16 0.00 2.43 -1.86 -3.47 114.38 110.32 1t60 h ARG 177 Ca -0.00 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.98 1t60 h ARG 177 Cb 0.38 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1t60 h ARG 177 CO 0.02 0.07 -0.23 0.41 -1.51 0.00 0.00 179.97 178.73 1t60 n GLY 178 N 0.71 0.23 3.29 2.80 0.00 -0.75 -4.94 105.19 106.53 1t60 n GLY 178 Ca 0.02 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.45 1.45 0.10 2.61 -4.23 -1.23 -2.15 115.64 109.74 1t60 s THR 179 Ca 0.00 -2.12 0.03 0.00 -1.18 0.00 0.00 61.69 58.43 1t60 s THR 179 Cb 0.00 -1.92 -0.04 0.00 1.34 0.00 0.00 72.50 71.88 1t60 s THR 179 CO 0.00 -0.66 -0.09 0.00 -0.54 0.00 0.00 174.62 173.33 1t60 s HIS 181 N -2.74 -0.23 -0.30 0.00 5.04 0.63 -1.16 115.29 116.52 1t60 s HIS 181 Ca 0.07 -0.03 -0.08 0.00 -1.54 0.00 0.00 55.06 53.48 1t60 s HIS 181 Cb -0.01 0.61 0.00 0.00 0.04 0.00 0.00 32.58 33.22 1t60 s HIS 181 CO -0.01 -0.77 0.12 0.71 -2.34 0.00 0.00 174.74 172.44 1t60 s TYR 182 N -3.32 3.16 0.06 3.88 1.51 -1.26 -2.67 117.35 118.71 1t60 s TYR 182 Ca 0.09 -0.76 0.01 0.00 -1.01 0.00 0.00 57.07 55.39 1t60 s TYR 182 Cb -0.02 -2.31 -0.04 0.00 -0.11 0.00 0.00 41.96 39.49 1t60 s TYR 182 CO -0.02 -0.51 0.15 0.71 -1.11 0.00 0.00 175.55 174.77 1t60 s TYR 183 N 1.56 3.39 -0.21 2.71 1.51 -1.26 -5.01 117.35 120.04 1t60 s TYR 183 Ca 0.04 0.19 0.19 0.00 -1.01 0.00 0.00 57.07 56.48 1t60 s TYR 183 Cb -0.17 -1.71 1.06 0.00 -0.11 0.00 0.00 41.96 41.02 1t60 s TYR 183 CO 0.04 0.57 1.58 0.00 -1.11 0.00 0.00 175.55 176.63 1t60 n ALA 184 N 0.46 0.99 0.47 3.71 0.00 -1.26 -2.00 120.51 122.87 1t60 n ALA 184 Ca -0.07 0.18 0.10 0.00 0.00 0.00 0.00 53.44 53.64 1t60 n ALA 184 Cb 0.51 -1.24 0.26 0.00 0.00 0.00 0.00 19.45 18.99 1t60 n ALA 184 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1t60 n ASN 185 N -2.19 2.76 -4.71 0.00 6.94 -1.26 -4.90 115.26 111.90 1t60 n ASN 185 Ca -0.01 -1.95 -0.42 0.00 -0.02 0.00 0.00 54.58 52.18 1t60 n ASN 185 Cb 0.07 -0.29 -0.03 0.00 -2.36 0.00 0.00 39.78 37.16 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 -1.42 4.41 -0.01 -3.83 1.02 -0.85 -4.22 119.74 114.85 1t60 s LYS 186 Ca 0.36 1.79 0.04 0.00 0.02 0.00 0.00 55.97 58.17 1t60 s LYS 186 Cb 0.19 -3.37 -0.01 0.00 -0.52 0.00 0.00 37.83 34.12 1t60 s LYS 186 CO 0.26 -0.30 -0.13 0.71 -0.92 0.00 0.00 175.35 174.97 1t60 s TYR 187 N 1.21 1.19 0.03 3.18 4.12 -0.24 -5.01 117.35 121.83 1t60 s TYR 187 Ca 0.59 -0.24 0.06 0.00 0.02 0.00 0.00 57.07 57.50 1t60 s TYR 187 Cb -0.30 -0.76 -0.03 0.00 -1.52 0.00 0.00 41.96 39.36 1t60 s TYR 187 CO 0.29 -0.01 -0.16 -1.54 0.02 0.00 0.00 175.55 174.14 1t60 s SER 188 N -0.40 3.96 -0.06 2.29 1.04 -1.26 -2.14 113.70 117.14 1t60 s SER 188 Ca 0.05 -0.36 0.05 0.00 0.48 0.00 0.00 55.95 56.17 1t60 s SER 188 Cb -0.05 -0.71 -0.01 0.00 0.10 0.00 0.00 66.02 65.35 1t60 s SER 188 CO -0.00 0.27 -0.22 -0.36 0.98 0.00 0.00 173.24 173.91 1t60 s PHE 189 N -0.92 2.16 0.08 5.02 0.40 0.73 -4.96 117.98 120.49 1t60 s PHE 189 Ca 0.15 -0.68 0.05 0.00 -0.60 0.00 0.00 56.93 55.85 1t60 s PHE 189 Cb -0.11 -1.43 -0.03 0.00 0.51 0.00 0.00 43.02 41.96 1t60 s PHE 189 CO 0.05 -0.23 -0.13 -1.58 0.70 0.00 0.00 175.22 174.04 1t60 s TRP 190 N 0.01 1.16 0.47 0.36 0.52 -1.26 -0.78 118.94 119.42 1t60 s TRP 190 Ca -0.06 -0.51 -0.23 0.00 0.02 0.00 0.00 56.10 55.32 1t60 s TRP 190 Cb -0.14 -0.64 -0.07 0.00 -1.15 0.00 0.00 33.47 31.47 1t60 s TRP 190 CO 0.04 0.04 1.21 -0.51 0.02 0.00 0.00 176.95 177.75 1t60 s LEU 191 N -1.93 4.00 0.53 2.99 1.43 -0.86 -4.88 118.68 119.96 1t60 s LEU 191 Ca -0.00 2.41 -0.01 0.00 -1.03 0.00 0.00 54.13 55.50 1t60 s LEU 191 Cb -0.08 -4.22 0.02 0.00 0.03 0.00 0.00 46.19 41.94 1t60 s LEU 191 CO 0.02 -1.02 0.78 0.42 0.23 0.00 0.00 176.35 176.78 1t60 s THR 192 N -1.48 3.40 -0.21 5.49 -4.23 -1.26 -1.10 115.64 116.26 1t60 s THR 192 Ca 0.64 -0.41 -0.19 0.00 -1.18 0.00 0.00 61.69 60.55 1t60 s THR 192 Cb -0.31 -3.30 -0.03 0.00 1.34 0.00 0.00 72.50 70.20 1t60 s THR 192 CO 0.38 -0.24 0.56 0.42 -0.54 0.00 0.00 174.62 175.20 1t60 s THR 193 N -2.77 5.07 -0.23 3.99 -4.23 -0.84 -4.10 115.64 112.54 1t60 s THR 193 Ca 0.53 1.02 -0.10 0.00 -1.18 0.00 0.00 61.69 61.96 1t60 s THR 193 Cb -0.10 -3.88 -0.05 0.00 1.34 0.00 0.00 72.50 69.81 1t60 s THR 193 CO 0.40 0.14 0.14 -0.63 -0.54 0.00 0.00 174.62 174.14 1t60 s ILE 194 N 1.82 5.29 0.12 2.99 1.01 0.97 -4.89 121.20 128.51 1t60 s ILE 194 Ca 0.25 0.15 -0.19 0.00 0.00 0.00 0.00 60.65 60.86 1t60 s ILE 194 Cb -0.16 -3.45 -0.06 0.00 0.01 0.00 0.00 42.46 38.80 1t60 s ILE 194 CO 0.10 0.37 1.74 -0.65 0.00 0.00 0.00 174.94 176.50 1t60 h PRO 195 N 7.31 0.31 -7.02 2.79 0.11 -1.97 -3.44 132.00 130.10 1t60 h PRO 195 Ca -0.38 -0.03 -0.51 0.00 0.11 0.00 0.00 66.00 65.19 1t60 h PRO 195 Cb 1.17 -0.06 0.21 0.00 0.11 0.00 0.00 31.00 32.42 1t60 h PRO 195 CO 0.68 0.25 -0.23 0.39 -0.21 0.00 0.00 178.00 178.88 1t60 n GLU 196 N -4.90 -0.82 0.11 1.05 4.71 -1.26 -4.94 120.64 114.59 1t60 n GLU 196 Ca -0.03 -0.19 -0.23 0.00 -0.01 0.00 0.00 57.16 56.70 1t60 n GLU 196 Cb 0.05 -2.09 -0.14 0.00 -1.01 0.00 0.00 31.44 28.25 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 -1.92 0.58 0.00 3.49 5.75 -2.00 -3.45 115.11 117.55 1t60 h GLN 197 Ca -0.47 -0.85 0.00 0.00 -0.15 0.00 0.00 58.65 57.18 1t60 h GLN 197 Cb 1.29 0.29 0.00 0.00 1.07 0.00 0.00 27.48 30.14 1t60 h GLN 197 CO 0.39 1.39 0.00 0.45 -2.65 0.00 0.00 178.83 178.42 1t60 n SER 198 N -3.80 0.00 -3.91 -0.69 2.88 -1.26 -5.10 113.62 101.74 1t60 n SER 198 Ca -0.15 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.11 1t60 n SER 198 Cb 1.01 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 64.31 1t60 n SER 198 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1t60 s PHE 199 N -1.00 1.78 -0.51 0.66 5.36 -1.26 -5.07 117.98 117.93 1t60 s PHE 199 Ca 0.00 -1.10 -0.05 0.00 -0.96 0.00 0.00 56.93 54.82 1t60 s PHE 199 Cb 0.00 -1.36 0.13 0.00 -0.34 0.00 0.00 43.02 41.46 1t60 s PHE 199 CO 0.00 -0.62 0.34 -1.14 -1.46 0.00 0.00 175.22 172.34 1t60 s GLN 200 N 1.61 2.37 0.31 10.12 0.74 -1.26 -4.89 119.66 128.66 1t60 s GLN 200 Ca 0.01 -2.07 0.16 0.00 0.05 0.00 0.00 55.36 53.51 1t60 s GLN 200 Cb -0.15 -3.75 0.34 0.00 1.10 0.00 0.00 33.01 30.55 1t60 s GLN 200 CO -0.08 -1.14 1.57 0.78 -0.55 0.00 0.00 175.29 175.87 1t60 h GLY 201 N 7.79 0.00 -6.99 2.59 0.00 -2.05 -3.43 103.07 100.99 1t60 h GLY 201 Ca -0.10 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.71 1t60 h GLY 201 CO 0.74 0.00 -0.77 -1.59 0.00 0.00 0.00 176.54 174.93 1t60 s THR 202 N -3.25 0.16 0.32 4.70 2.01 -1.26 -5.13 115.64 113.19 1t60 s THR 202 Ca 0.02 -0.66 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 1t60 s THR 202 Cb 0.09 -0.98 -0.10 0.00 0.01 0.00 0.00 72.50 71.52 1t60 s THR 202 CO 0.72 -0.51 1.37 -2.84 -0.69 0.00 0.00 174.62 172.67 1t60 s PRO 203 N 2.00 4.29 -0.63 4.92 0.02 -1.26 -4.97 135.00 139.36 1t60 s PRO 203 Ca 0.06 2.31 -0.16 0.00 0.02 0.00 0.00 61.00 63.22 1t60 s PRO 203 Cb -0.16 -3.06 0.15 0.00 0.02 0.00 0.00 34.50 31.44 1t60 s PRO 203 CO -0.23 -0.31 0.63 0.45 -0.33 0.00 0.00 177.00 177.21 1t60 s SER 204 N -0.22 6.34 0.72 2.53 0.15 -1.26 -5.05 113.70 116.91 1t60 s SER 204 Ca 0.52 -1.94 -0.17 0.00 0.70 0.00 0.00 55.95 55.07 1t60 s SER 204 Cb -0.42 -2.24 -0.08 0.00 -1.71 0.00 0.00 66.02 61.57 1t60 s SER 204 CO 0.53 -0.85 0.15 0.00 1.20 0.00 0.00 173.24 174.26 1t60 n ALA 205 N 5.22 -2.58 -3.62 5.45 0.00 -1.26 -5.01 120.51 118.72 1t60 n ALA 205 Ca -0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 53.44 53.08 1t60 n ALA 205 Cb 0.42 -1.62 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.29 -0.12 -0.16 0.00 3.68 -1.26 -5.14 116.67 112.39 1t60 s ASP 206 Ca 0.59 0.07 0.00 0.00 2.13 0.00 0.00 52.55 55.34 1t60 s ASP 206 Cb -0.36 0.11 -0.00 0.00 -1.45 0.00 0.00 42.92 41.22 1t60 s ASP 206 CO 0.64 -0.15 -0.15 -0.89 0.13 0.00 0.00 175.17 174.75 1t60 s THR 207 N -1.71 2.64 -0.21 1.71 2.01 -1.26 -5.12 115.64 113.70 1t60 s THR 207 Ca 0.08 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 1t60 s THR 207 Cb -0.01 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 1t60 s THR 207 CO -0.05 0.51 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.61 1t60 s LEU 208 N 0.85 3.07 0.49 4.42 1.43 -1.26 -5.11 118.68 122.57 1t60 s LEU 208 Ca -0.05 -0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1t60 s LEU 208 Cb -0.15 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 1t60 s LEU 208 CO -0.01 0.02 0.79 -0.54 0.23 0.00 0.00 176.35 176.85 1t60 s LYS 209 N 1.23 3.49 -0.21 1.70 -0.14 -1.26 -4.87 119.74 119.69 1t60 s LYS 209 Ca 0.03 0.18 -0.34 0.00 -1.36 0.00 0.00 55.97 54.48 1t60 s LYS 209 Cb -0.14 -2.37 -0.11 0.00 -1.68 0.00 0.00 37.83 33.53 1t60 s LYS 209 CO -0.00 -0.25 2.03 0.00 -0.76 0.00 0.00 175.35 176.37 1t60 n ALA 210 N -2.29 1.01 0.00 5.17 0.00 -1.26 -3.15 120.51 119.99 1t60 n ALA 210 Ca 0.01 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1t60 n ALA 210 Cb 0.55 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.44 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 5.31 2.04 0.24 0.00 0.00 -1.26 -4.86 105.19 106.66 1t60 n GLY 211 Ca 0.30 -0.30 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1t60 n GLY 211 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1t60 h LEU 212 N 0.00 0.00 -0.95 0.99 4.07 -1.94 -3.37 115.31 114.11 1t60 h LEU 212 Ca 0.00 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.10 1t60 h LEU 212 Cb 0.00 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 41.59 1t60 h LEU 212 CO 0.00 0.00 -0.41 -0.38 -1.08 0.00 0.00 178.44 176.57 1t60 n ILE 213 N -3.08 -0.53 -0.12 1.22 5.41 -1.23 -2.05 119.36 118.98 1t60 n ILE 213 Ca 0.03 2.25 0.03 0.00 1.00 0.00 0.00 62.75 66.06 1t60 n ILE 213 Cb 0.45 -2.93 0.34 0.00 -0.71 0.00 0.00 39.64 36.79 1t60 n ILE 213 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1t60 h ARG 214 N 0.00 0.75 0.00 0.38 3.08 -1.94 -0.22 114.38 116.44 1t60 h ARG 214 Ca 0.30 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1t60 h ARG 214 Cb 0.54 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1t60 h ARG 214 CO -0.94 0.50 0.00 0.25 -1.07 0.00 0.00 179.97 178.71 1t60 n THR 215 N -4.45 0.40 0.97 2.04 -2.24 -0.87 -2.18 114.28 107.95 1t60 n THR 215 Ca 0.07 0.10 0.11 0.00 -2.27 0.00 0.00 64.05 62.05 1t60 n THR 215 Cb 0.08 -0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 67.51 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 -1.28 0.00 -3.66 4.78 8.25 -0.10 -4.77 115.22 118.44 1t60 n HIS 216 Ca 0.09 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.20 1t60 n HIS 216 Cb 0.15 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.18 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 -2.51 5.37 0.49 1.59 -1.09 -0.93 -1.98 121.20 122.14 1t60 s ILE 217 Ca 0.16 0.30 -0.24 0.00 -2.23 0.00 0.00 60.65 58.64 1t60 s ILE 217 Cb 0.17 -3.52 -0.07 0.00 -1.58 0.00 0.00 42.46 37.46 1t60 s ILE 217 CO 0.61 0.41 1.34 -0.24 -1.23 0.00 0.00 174.94 175.83 1t60 n SER 218 N 3.66 2.76 -4.96 3.58 2.88 -0.26 -4.67 113.62 116.61 1t60 n SER 218 Ca -0.15 1.05 -0.22 0.00 -1.33 0.00 0.00 58.87 58.23 1t60 n SER 218 Cb 0.52 -1.56 -0.02 0.00 -0.75 0.00 0.00 64.21 62.41 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 -2.56 3.42 0.23 -1.46 1.81 -1.21 -1.29 118.95 117.90 1t60 s ARG 219 Ca 0.66 -0.66 -0.12 0.00 -1.72 0.00 0.00 55.73 53.89 1t60 s ARG 219 Cb -0.45 -2.82 -0.01 0.00 -0.45 0.00 0.00 34.95 31.23 1t60 s ARG 219 CO 0.54 0.31 0.44 0.00 -0.68 0.00 0.00 175.30 175.91 1t60 s GLN 221 N -4.02 0.36 -0.18 0.00 -0.21 -0.97 -1.26 119.66 113.38 1t60 s GLN 221 Ca 0.23 -0.31 -0.05 0.00 0.02 0.00 0.00 55.36 55.24 1t60 s GLN 221 Cb 0.00 0.15 -0.03 0.00 1.00 0.00 0.00 33.01 34.13 1t60 s GLN 221 CO 0.08 -0.08 0.00 0.08 -2.12 0.00 0.00 175.29 173.25 1t60 s VAL 222 N -1.05 4.11 0.16 1.09 1.01 -0.39 -1.57 120.40 123.75 1t60 s VAL 222 Ca -0.11 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 61.69 1t60 s VAL 222 Cb -0.06 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1t60 s VAL 222 CO 0.01 0.45 -0.20 0.00 0.00 0.00 0.00 175.10 175.36 1t60 s MET 224 N -2.59 0.30 0.00 0.00 -2.45 -0.21 -0.75 119.30 113.60 1t60 s MET 224 Ca 0.15 -0.02 0.17 0.00 -1.25 0.00 0.00 55.69 54.74 1t60 s MET 224 Cb -0.07 0.13 1.02 0.00 1.25 0.00 0.00 34.83 37.16 1t60 s MET 224 CO 0.07 -0.06 1.43 1.63 1.05 0.00 0.00 175.02 179.14