#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cri n SER 2 N 0.00 2.67 -0.09 1.61 3.41 -1.26 -4.84 113.62 115.12 2cri n SER 2 Ca 0.00 0.39 -0.16 0.00 -0.26 0.00 0.00 58.87 58.84 2cri n SER 2 Cb 0.00 -1.38 -0.08 0.00 -0.26 0.00 0.00 64.21 62.49 2cri n SER 2 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2cri h SER 3 N 13.08 0.00 0.00 4.04 0.02 -2.03 -3.50 113.55 125.16 2cri h SER 3 Ca -0.34 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 2cri h SER 3 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2cri h SER 3 CO 0.99 1.22 0.00 0.61 -1.14 0.00 0.00 176.83 178.51 2cri n GLY 4 N 1.50 0.56 3.71 -3.77 0.00 -1.26 -4.98 105.19 100.96 2cri n GLY 4 Ca -0.23 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 2cri n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cri s SER 5 N -1.06 3.50 -0.82 1.61 0.01 -1.26 -4.65 113.70 111.03 2cri s SER 5 Ca 0.00 1.60 -0.13 0.00 1.31 0.00 0.00 55.95 58.72 2cri s SER 5 Cb 0.00 -2.27 0.22 0.00 0.21 0.00 0.00 66.02 64.18 2cri s SER 5 CO 0.00 -2.63 0.76 -0.94 0.41 0.00 0.00 173.24 170.83 2cri s SER 6 N -3.32 6.69 0.15 2.44 1.04 -1.26 -4.95 113.70 114.48 2cri s SER 6 Ca 0.63 -2.72 -0.10 0.00 0.48 0.00 0.00 55.95 54.24 2cri s SER 6 Cb -0.18 -2.19 -0.06 0.00 0.10 0.00 0.00 66.02 63.68 2cri s SER 6 CO 0.57 -0.55 0.48 -0.83 0.98 0.00 0.00 173.24 173.89 2cri s GLY 7 N 2.05 2.34 -0.34 7.32 0.00 -1.26 -5.07 107.32 112.36 2cri s GLY 7 Ca 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.59 2cri s GLY 7 CO -0.09 -0.12 0.13 -3.16 0.00 0.00 0.00 173.10 169.86 2cri s MET 8 N -2.29 0.90 0.12 2.90 0.00 -1.26 -5.10 119.30 114.57 2cri s MET 8 Ca 0.40 -1.35 0.09 0.00 0.00 0.00 0.00 55.69 54.83 2cri s MET 8 Cb -0.13 -2.15 -0.04 0.00 0.00 0.00 0.00 34.83 32.51 2cri s MET 8 CO 0.20 -1.03 -0.23 0.00 0.00 0.00 0.00 175.02 173.96 2cri s ALA 9 N 1.27 2.07 -0.39 3.16 0.00 -1.26 -5.04 121.76 121.58 2cri s ALA 9 Ca 0.12 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 50.74 2cri s ALA 9 Cb -0.19 -0.29 0.11 0.00 0.00 0.00 0.00 23.12 22.75 2cri s ALA 9 CO -0.18 0.42 0.12 0.15 0.00 0.00 0.00 175.76 176.28 2cri s LYS 10 N -2.08 1.48 -0.10 0.00 3.01 -1.26 -5.07 119.74 115.72 2cri s LYS 10 Ca 0.11 -1.97 -0.15 0.00 -1.01 0.00 0.00 55.97 52.95 2cri s LYS 10 Cb -0.10 -3.00 -0.05 0.00 -1.01 0.00 0.00 37.83 33.68 2cri s LYS 10 CO 0.05 -1.01 0.39 -3.38 0.51 0.00 0.00 175.35 171.91 2cri s HIS 11 N 0.66 3.56 -0.65 3.18 -3.43 -1.26 -4.96 115.29 112.38 2cri s HIS 11 Ca 0.13 0.81 0.01 0.00 -0.80 0.00 0.00 55.06 55.21 2cri s HIS 11 Cb -0.21 -2.39 0.39 0.00 -1.43 0.00 0.00 32.58 28.94 2cri s HIS 11 CO -0.08 0.35 1.63 -1.91 -2.00 0.00 0.00 174.74 172.73 2cri n GLU 12 N 3.03 3.05 -4.34 -0.38 2.13 -1.26 -4.99 120.64 117.89 2cri n GLU 12 Ca -0.11 -3.93 -0.17 0.00 0.66 0.00 0.00 57.16 53.60 2cri n GLU 12 Cb 0.52 -2.26 -0.10 0.00 0.27 0.00 0.00 31.44 29.87 2cri n GLU 12 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 2cri s GLN 13 N -3.83 1.47 0.33 5.31 -2.07 -1.26 -4.59 119.66 115.02 2cri s GLN 13 Ca 0.51 -1.81 0.19 0.00 -1.82 0.00 0.00 55.36 52.43 2cri s GLN 13 Cb 0.43 -0.29 0.16 0.00 -1.09 0.00 0.00 33.01 32.22 2cri s GLN 13 CO -0.29 -0.32 1.46 0.97 -1.32 0.00 0.00 175.29 175.79 2cri h ILE 14 N 2.32 0.45 -1.70 3.63 6.09 -1.94 -3.46 117.51 122.90 2cri h ILE 14 Ca -0.38 -1.66 -0.47 0.00 -1.37 0.00 0.00 64.86 60.99 2cri h ILE 14 Cb 1.25 2.19 0.06 0.00 0.47 0.00 0.00 36.82 40.78 2cri h ILE 14 CO 0.60 0.26 0.01 -0.76 -3.07 0.00 0.00 178.15 175.19 2cri s LEU 15 N -6.27 3.07 -0.16 2.19 1.43 -1.26 -4.32 118.68 113.36 2cri s LEU 15 Ca 0.05 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 2cri s LEU 15 Cb 0.07 -1.96 0.05 0.00 0.03 0.00 0.00 46.19 44.38 2cri s LEU 15 CO 0.72 -1.60 -0.00 -0.69 0.23 0.00 0.00 176.35 175.01 2cri s VAL 16 N -2.93 0.74 0.50 -1.59 1.01 -0.23 -4.99 120.40 112.92 2cri s VAL 16 Ca 0.64 -0.49 -0.19 0.00 0.00 0.00 0.00 61.98 61.94 2cri s VAL 16 Cb -0.06 -1.06 -0.08 0.00 0.00 0.00 0.00 36.38 35.18 2cri s VAL 16 CO 0.42 -0.00 1.02 -0.76 0.00 0.00 0.00 175.10 175.77 2cri s LEU 17 N 1.78 3.77 -0.19 3.92 2.01 -1.26 -1.09 118.68 127.61 2cri s LEU 17 Ca 0.00 1.81 -0.05 0.00 0.01 0.00 0.00 54.13 55.90 2cri s LEU 17 Cb -0.16 -4.54 0.09 0.00 0.01 0.00 0.00 46.19 41.59 2cri s LEU 17 CO -0.07 -0.74 0.34 -0.62 1.01 0.00 0.00 176.35 176.26 2cri s ASP 18 N -2.33 0.22 0.26 2.29 2.15 -0.54 -1.83 116.67 116.89 2cri s ASP 18 Ca 0.64 0.55 -0.30 0.00 0.43 0.00 0.00 52.55 53.88 2cri s ASP 18 Cb -0.14 1.00 -0.09 0.00 -0.30 0.00 0.00 42.92 43.39 2cri s ASP 18 CO 0.23 -0.26 1.26 -2.16 -0.17 0.00 0.00 175.17 174.08 2cri s PRO 19 N 2.51 4.43 0.25 4.34 0.04 -1.26 -1.70 135.00 143.61 2cri s PRO 19 Ca 0.04 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.16 2cri s PRO 19 Cb -0.13 -3.15 0.32 0.00 0.04 0.00 0.00 34.50 31.57 2cri s PRO 19 CO -0.12 -0.13 1.63 -1.00 0.04 0.00 0.00 177.00 177.41 2cri h PRO 20 N 4.38 0.36 0.00 0.56 0.13 -1.75 -3.37 132.00 132.32 2cri h PRO 20 Ca -0.47 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2cri h PRO 20 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2cri h PRO 20 CO 0.71 0.75 0.00 0.43 -0.23 0.00 0.00 178.00 179.66 2cri n SER 21 N -3.99 0.00 -3.88 1.44 7.64 -1.26 -4.86 113.62 108.70 2cri n SER 21 Ca -0.02 0.43 -0.11 0.00 1.01 0.00 0.00 58.87 60.18 2cri n SER 21 Cb 0.52 -0.23 -0.11 0.00 -1.01 0.00 0.00 64.21 63.39 2cri n SER 21 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2cri s ASP 22 N -1.95 0.03 -0.56 6.43 -4.77 -1.26 -4.22 116.67 110.37 2cri s ASP 22 Ca 0.00 -0.17 -0.20 0.00 -3.30 0.00 0.00 52.55 48.88 2cri s ASP 22 Cb 0.00 0.20 0.07 0.00 -1.09 0.00 0.00 42.92 42.10 2cri s ASP 22 CO 0.00 -0.30 0.74 -0.22 0.70 0.00 0.00 175.17 176.10 2cri s LEU 23 N -1.13 4.86 0.25 2.11 2.96 -1.14 -4.58 118.68 122.01 2cri s LEU 23 Ca -0.12 -0.98 -0.30 0.00 -0.22 0.00 0.00 54.13 52.51 2cri s LEU 23 Cb -0.07 -2.46 -0.09 0.00 0.50 0.00 0.00 46.19 44.07 2cri s LEU 23 CO 0.01 -1.08 1.06 -0.54 -1.32 0.00 0.00 176.35 174.48 2cri s LYS 24 N 3.06 4.68 -0.23 1.98 1.02 -1.26 -2.13 119.74 126.87 2cri s LYS 24 Ca 0.17 1.71 -0.01 0.00 0.02 0.00 0.00 55.97 57.87 2cri s LYS 24 Cb -0.19 -3.23 0.02 0.00 -0.52 0.00 0.00 37.83 33.91 2cri s LYS 24 CO 0.11 0.26 -0.10 -0.06 -0.92 0.00 0.00 175.35 174.64 2cri s PHE 25 N -0.99 2.99 -0.19 3.18 0.40 0.40 -4.93 117.98 118.84 2cri s PHE 25 Ca 0.45 -1.53 -0.28 0.00 -0.60 0.00 0.00 56.93 54.97 2cri s PHE 25 Cb -0.30 -2.02 -0.00 0.00 0.51 0.00 0.00 43.02 41.21 2cri s PHE 25 CO 0.38 -0.73 0.96 0.21 0.70 0.00 0.00 175.22 176.73 2cri s LYS 26 N 1.33 4.29 0.00 0.44 2.20 -1.26 -1.39 119.74 125.35 2cri s LYS 26 Ca 0.02 1.23 0.00 0.00 -0.36 0.00 0.00 55.97 56.86 2cri s LYS 26 Cb -0.15 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 2cri s LYS 26 CO -0.07 -0.48 0.00 0.41 -0.36 0.00 0.00 175.35 174.85 2cri n GLY 27 N 3.37 -2.93 3.68 5.54 0.00 -1.06 -4.60 105.19 109.19 2cri n GLY 27 Ca 0.09 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 2cri n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cri s PRO 28 N 0.00 0.51 -0.04 1.61 0.04 -1.26 -4.83 135.00 131.03 2cri s PRO 28 Ca 0.00 0.56 0.21 0.00 0.04 0.00 0.00 61.00 61.81 2cri s PRO 28 Cb 0.00 -1.74 0.68 0.00 0.04 0.00 0.00 34.50 33.47 2cri s PRO 28 CO 0.00 -2.68 1.57 1.19 0.04 0.00 0.00 177.00 177.12 2cri n PHE 29 N -4.15 1.16 0.30 0.56 3.72 -1.26 -4.11 117.46 113.68 2cri n PHE 29 Ca 0.05 -0.53 0.11 0.00 -0.05 0.00 0.00 57.45 57.04 2cri n PHE 29 Cb 0.57 -0.08 -0.09 0.00 -0.94 0.00 0.00 39.48 38.94 2cri n PHE 29 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 2cri n THR 30 N 1.49 0.13 -4.39 4.37 5.66 -1.26 -1.73 114.28 118.55 2cri n THR 30 Ca 0.25 -0.37 -0.22 0.00 -3.05 0.00 0.00 64.05 60.66 2cri n THR 30 Cb 0.71 0.15 -0.08 0.00 -1.55 0.00 0.00 70.33 69.56 2cri n THR 30 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2cri s ASP 31 N -4.27 2.12 0.25 1.09 2.15 -1.26 -4.79 116.67 111.96 2cri s ASP 31 Ca -0.02 -1.70 -0.31 0.00 0.43 0.00 0.00 52.55 50.95 2cri s ASP 31 Cb 0.14 0.52 -0.12 0.00 -0.30 0.00 0.00 42.92 43.16 2cri s ASP 31 CO 0.86 -0.99 1.62 0.52 -0.17 0.00 0.00 175.17 177.01 2cri n VAL 32 N -0.74 0.63 -3.83 1.11 0.31 -1.26 -3.91 118.33 110.63 2cri n VAL 32 Ca 0.01 -0.16 -0.21 0.00 -0.01 0.00 0.00 64.34 63.97 2cri n VAL 32 Cb 0.64 -1.91 -0.03 0.00 -0.91 0.00 0.00 33.84 31.63 2cri n VAL 32 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2cri s VAL 33 N 0.42 4.19 -0.16 2.52 1.01 -0.43 -4.91 120.40 123.04 2cri s VAL 33 Ca 0.69 -1.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 2cri s VAL 33 Cb -0.52 -3.41 0.05 0.00 0.00 0.00 0.00 36.38 32.50 2cri s VAL 33 CO 0.43 -0.24 0.01 -0.89 0.00 0.00 0.00 175.10 174.41 2cri s THR 34 N -2.18 0.60 -0.13 3.92 2.01 -1.26 -2.58 115.64 116.02 2cri s THR 34 Ca 0.39 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2cri s THR 34 Cb -0.08 -0.97 0.02 0.00 0.01 0.00 0.00 72.50 71.49 2cri s THR 34 CO 0.28 -0.05 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.16 2cri s THR 35 N 1.84 1.32 -0.15 -0.82 2.01 -0.31 -4.78 115.64 114.76 2cri s THR 35 Ca 0.01 -0.48 -0.16 0.00 0.31 0.00 0.00 61.69 61.36 2cri s THR 35 Cb -0.16 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 2cri s THR 35 CO -0.07 0.42 0.38 0.20 -0.69 0.00 0.00 174.62 174.86 2cri s ASN 36 N 1.49 6.54 -0.27 3.53 -0.87 -1.26 0.20 114.94 124.30 2cri s ASN 36 Ca 0.03 0.64 -0.04 0.00 -1.57 0.00 0.00 52.86 51.92 2cri s ASN 36 Cb -0.13 -2.23 0.02 0.00 -0.02 0.00 0.00 41.25 38.89 2cri s ASN 36 CO -0.08 0.04 0.00 -0.22 -2.57 0.00 0.00 177.10 174.27 2cri s LEU 37 N 0.63 3.53 0.25 0.60 0.20 -0.32 -4.88 118.68 118.69 2cri s LEU 37 Ca 0.21 -0.85 -0.15 0.00 0.69 0.00 0.00 54.13 54.03 2cri s LEU 37 Cb -0.14 -1.76 -0.08 0.00 -0.43 0.00 0.00 46.19 43.78 2cri s LEU 37 CO 0.07 -0.17 0.67 -0.54 -0.29 0.00 0.00 176.35 176.09 2cri s LYS 38 N 1.39 4.02 -0.21 1.98 1.02 -0.69 -1.10 119.74 126.15 2cri s LYS 38 Ca 0.01 0.62 -0.04 0.00 0.02 0.00 0.00 55.97 56.57 2cri s LYS 38 Cb -0.17 -2.66 0.07 0.00 -0.52 0.00 0.00 37.83 34.55 2cri s LYS 38 CO -0.01 0.30 0.09 -0.51 -0.92 0.00 0.00 175.35 174.29 2cri s LEU 39 N -2.54 0.61 0.31 3.17 1.43 0.10 -1.47 118.68 120.30 2cri s LEU 39 Ca 0.48 -0.85 -0.18 0.00 -1.03 0.00 0.00 54.13 52.55 2cri s LEU 39 Cb -0.13 -0.35 -0.09 0.00 0.03 0.00 0.00 46.19 45.65 2cri s LEU 39 CO 0.19 -0.37 0.77 -1.58 0.23 0.00 0.00 176.35 175.59 2cri s GLN 40 N 2.06 4.13 -0.33 1.70 0.74 -0.25 -2.01 119.66 125.69 2cri s GLN 40 Ca 0.04 0.81 0.01 0.00 0.05 0.00 0.00 55.36 56.26 2cri s GLN 40 Cb -0.16 -2.54 0.10 0.00 1.10 0.00 0.00 33.01 31.51 2cri s GLN 40 CO -0.16 0.21 0.10 1.21 -0.55 0.00 0.00 175.29 176.10 2cri s ASN 41 N -2.06 4.19 0.31 6.67 2.47 -1.01 -1.07 114.94 124.44 2cri s ASN 41 Ca 0.52 -1.90 0.10 0.00 0.42 0.00 0.00 52.86 52.00 2cri s ASN 41 Cb -0.12 -1.09 0.49 0.00 -1.45 0.00 0.00 41.25 39.08 2cri s ASN 41 CO 0.18 -0.39 1.70 1.55 -3.72 0.00 0.00 177.10 176.43 2cri h PRO 42 N 7.80 0.09 -7.25 0.43 0.13 -1.90 -2.65 132.00 128.65 2cri h PRO 42 Ca -0.10 -0.05 -0.52 0.00 -0.87 0.00 0.00 66.00 64.46 2cri h PRO 42 Cb 1.00 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.30 2cri h PRO 42 CO 0.49 0.55 0.30 -1.54 -0.23 0.00 0.00 178.00 177.57 2cri s SER 43 N -6.89 3.84 -0.48 1.44 1.04 -1.26 -4.74 113.70 106.65 2cri s SER 43 Ca -0.03 2.12 0.03 0.00 0.48 0.00 0.00 55.95 58.55 2cri s SER 43 Cb 0.13 -2.56 0.53 0.00 0.10 0.00 0.00 66.02 64.22 2cri s SER 43 CO 0.76 -2.49 1.78 0.47 0.98 0.00 0.00 173.24 174.74 2cri n ASP 44 N -3.51 5.11 -3.76 7.02 8.00 -1.26 -2.85 116.55 125.30 2cri n ASP 44 Ca 0.11 -3.73 -0.13 0.00 0.71 0.00 0.00 54.79 51.76 2cri n ASP 44 Cb 0.52 -0.79 -0.11 0.00 -0.02 0.00 0.00 41.12 40.72 2cri n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cri s ARG 45 N -3.53 0.33 0.23 -1.24 1.70 -1.26 -4.87 118.95 110.31 2cri s ARG 45 Ca 0.57 0.46 -0.29 0.00 -0.47 0.00 0.00 55.73 56.00 2cri s ARG 45 Cb 0.47 0.11 -0.16 0.00 -0.57 0.00 0.00 34.95 34.80 2cri s ARG 45 CO 0.03 -0.07 0.86 1.63 -1.08 0.00 0.00 175.30 176.67 2cri n LYS 46 N 3.24 0.78 -4.02 3.89 5.02 -1.26 -4.59 118.16 121.22 2cri n LYS 46 Ca -0.16 0.27 -0.22 0.00 -2.02 0.00 0.00 58.31 56.19 2cri n LYS 46 Cb 0.57 -1.54 -0.17 0.00 -0.02 0.00 0.00 35.03 33.88 2cri n LYS 46 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2cri s VAL 47 N -0.86 0.59 0.32 -0.18 1.01 -1.23 -0.70 120.40 119.34 2cri s VAL 47 Ca 0.64 -0.09 -0.20 0.00 0.00 0.00 0.00 61.98 62.34 2cri s VAL 47 Cb -0.83 -0.65 -0.09 0.00 0.00 0.00 0.00 36.38 34.81 2cri s VAL 47 CO 0.57 0.26 0.82 0.00 0.00 0.00 0.00 175.10 176.76 2cri s PHE 49 N -1.83 -0.30 -0.24 0.00 -0.71 -0.71 -0.64 117.98 113.55 2cri s PHE 49 Ca 0.52 0.71 0.02 0.00 -1.04 0.00 0.00 56.93 57.14 2cri s PHE 49 Cb -0.13 0.10 0.05 0.00 -1.21 0.00 0.00 43.02 41.84 2cri s PHE 49 CO 0.19 -0.18 -0.10 0.15 -1.34 0.00 0.00 175.22 173.93 2cri s LYS 50 N -0.03 2.09 -0.55 1.99 1.02 -0.48 -2.54 119.74 121.24 2cri s LYS 50 Ca -0.02 -1.15 -0.28 0.00 0.02 0.00 0.00 55.97 54.55 2cri s LYS 50 Cb -0.03 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.58 2cri s LYS 50 CO 0.01 -0.53 1.35 0.08 -0.92 0.00 0.00 175.35 175.33 2cri s VAL 51 N 1.23 3.87 -0.08 3.17 1.01 -0.64 -3.07 120.40 125.90 2cri s VAL 51 Ca -0.06 0.77 0.02 0.00 0.00 0.00 0.00 61.98 62.70 2cri s VAL 51 Cb -0.19 -4.50 0.02 0.00 0.00 0.00 0.00 36.38 31.70 2cri s VAL 51 CO -0.06 -1.18 -0.12 -0.54 0.00 0.00 0.00 175.10 173.20 2cri s LYS 52 N 5.28 1.76 0.13 2.72 1.02 -1.25 -4.87 119.74 124.54 2cri s LYS 52 Ca 0.50 -0.41 0.07 0.00 0.02 0.00 0.00 55.97 56.16 2cri s LYS 52 Cb -0.10 -1.53 -0.04 0.00 -0.52 0.00 0.00 37.83 35.64 2cri s LYS 52 CO 0.26 -0.05 -0.17 -0.08 -0.92 0.00 0.00 175.35 174.39 2cri s THR 53 N 0.93 1.59 0.41 2.17 -1.32 -1.26 -3.56 115.64 114.59 2cri s THR 53 Ca -0.09 -1.72 0.39 0.00 -1.21 0.00 0.00 61.69 59.05 2cri s THR 53 Cb -0.15 -1.62 0.41 0.00 -1.51 0.00 0.00 72.50 69.63 2cri s THR 53 CO 0.00 -0.28 2.18 0.71 -2.21 0.00 0.00 174.62 175.03 2cri h THR 54 N 3.61 0.05 -2.74 5.08 1.35 -1.93 -3.26 112.91 115.08 2cri h THR 54 Ca -0.42 -0.27 -0.69 0.00 -0.55 0.00 0.00 66.41 64.49 2cri h THR 54 Cb 1.20 1.25 -0.36 0.00 -1.73 0.00 0.00 68.15 68.50 2cri h THR 54 CO 0.47 0.01 -0.09 0.00 -0.25 0.00 0.00 175.52 175.67 2cri n ALA 55 N -2.10 4.26 -0.10 6.62 0.00 -1.26 -4.87 120.51 123.06 2cri n ALA 55 Ca -0.01 -4.72 -0.13 0.00 0.00 0.00 0.00 53.44 48.57 2cri n ALA 55 Cb 0.19 -1.51 -0.04 0.00 0.00 0.00 0.00 19.45 18.09 2cri n ALA 55 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2cri h PRO 56 N 5.07 0.77 -0.00 0.00 0.13 -1.83 0.38 132.00 136.52 2cri h PRO 56 Ca 0.19 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2cri h PRO 56 Cb 0.69 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2cri h PRO 56 CO 0.97 1.04 -0.00 2.89 -0.23 0.00 0.00 178.00 182.66 2cri n ARG 57 N -4.20 0.93 -0.00 0.86 1.85 -1.26 -3.11 116.66 111.73 2cri n ARG 57 Ca -0.03 -0.04 0.03 0.00 -1.00 0.00 0.00 57.85 56.80 2cri n ARG 57 Cb 0.49 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.36 2cri n ARG 57 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2cri n ARG 58 N -1.00 2.14 -4.79 2.89 0.63 -1.09 -4.93 116.66 110.51 2cri n ARG 58 Ca 0.22 -0.03 -0.26 0.00 -0.92 0.00 0.00 57.85 56.85 2cri n ARG 58 Cb 0.14 -1.01 -0.16 0.00 0.45 0.00 0.00 32.46 31.88 2cri n ARG 58 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2cri s TYR 59 N -2.10 1.72 -0.52 -0.14 1.51 0.10 -2.59 117.35 115.34 2cri s TYR 59 Ca -0.00 -0.59 -0.03 0.00 -1.01 0.00 0.00 57.07 55.44 2cri s TYR 59 Cb 0.04 -1.19 0.14 0.00 -0.11 0.00 0.00 41.96 40.84 2cri s TYR 59 CO 0.26 -0.25 0.33 0.00 -1.11 0.00 0.00 175.55 174.79 2cri s VAL 61 N 0.56 5.35 -0.20 0.00 1.01 -1.26 -0.84 120.40 125.04 2cri s VAL 61 Ca 0.12 0.39 -0.08 0.00 0.00 0.00 0.00 61.98 62.42 2cri s VAL 61 Cb -0.22 -3.54 0.09 0.00 0.00 0.00 0.00 36.38 32.71 2cri s VAL 61 CO -0.04 0.46 0.43 -0.60 0.00 0.00 0.00 175.10 175.36 2cri s ARG 62 N 0.03 0.35 0.80 2.72 3.52 0.88 -3.60 118.95 123.65 2cri s ARG 62 Ca 0.14 1.01 -0.11 0.00 -0.13 0.00 0.00 55.73 56.64 2cri s ARG 62 Cb -0.12 0.28 0.07 0.00 -1.56 0.00 0.00 34.95 33.62 2cri s ARG 62 CO 0.03 -0.23 1.09 -1.25 -0.81 0.00 0.00 175.30 174.13 2cri s PRO 63 N 2.39 2.02 0.23 5.12 0.04 -1.26 -1.36 135.00 142.18 2cri s PRO 63 Ca -0.03 1.09 0.24 0.00 0.04 0.00 0.00 61.00 62.34 2cri s PRO 63 Cb -0.11 -1.88 0.44 0.00 0.04 0.00 0.00 34.50 32.99 2cri s PRO 63 CO -0.13 -1.79 1.48 -2.95 0.04 0.00 0.00 177.00 173.65 2cri h ASN 64 N -1.23 0.00 -5.10 6.66 7.08 -1.93 -3.45 115.58 117.61 2cri h ASN 64 Ca -0.45 -0.07 0.13 0.00 -3.08 0.00 0.00 56.30 52.83 2cri h ASN 64 Cb 1.24 0.00 -0.09 0.00 -2.08 0.00 0.00 38.32 37.39 2cri h ASN 64 CO 0.52 0.04 0.42 -0.94 -2.08 0.00 0.00 177.43 175.38 2cri s SER 65 N -4.89 -0.26 0.00 6.14 1.04 -1.26 -1.62 113.70 112.84 2cri s SER 65 Ca 0.07 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2cri s SER 65 Cb 0.11 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.75 2cri s SER 65 CO 0.68 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2cri n GLY 66 N -0.42 -1.03 3.25 7.32 0.00 -1.05 -5.03 105.19 108.22 2cri n GLY 66 Ca -0.07 -1.16 -0.27 0.00 0.00 0.00 0.00 46.02 44.52 2cri n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cri s ILE 67 N -3.00 1.69 -0.29 -0.61 1.01 -1.26 -1.74 121.20 117.01 2cri s ILE 67 Ca 0.00 -1.09 -0.10 0.00 0.00 0.00 0.00 60.65 59.46 2cri s ILE 67 Cb 0.00 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 2cri s ILE 67 CO 0.00 0.32 0.15 -0.63 0.00 0.00 0.00 174.94 174.78 2cri s ILE 68 N -0.68 4.80 0.49 2.92 1.01 -0.93 -4.95 121.20 123.86 2cri s ILE 68 Ca 0.08 -0.16 -0.20 0.00 0.00 0.00 0.00 60.65 60.37 2cri s ILE 68 Cb -0.09 -3.34 -0.11 0.00 0.01 0.00 0.00 42.46 38.93 2cri s ILE 68 CO 0.01 0.19 0.51 0.47 0.00 0.00 0.00 174.94 176.12 2cri n ASP 69 N 5.00 -1.06 -4.59 3.58 8.00 -1.26 -3.55 116.55 122.68 2cri n ASP 69 Ca -0.14 0.82 -0.42 0.00 0.71 0.00 0.00 54.79 55.76 2cri n ASP 69 Cb 0.51 -1.13 -0.03 0.00 -0.02 0.00 0.00 41.12 40.45 2cri n ASP 69 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2cri s PRO 70 N -1.78 3.19 0.00 -0.24 0.04 -1.26 -2.85 135.00 132.09 2cri s PRO 70 Ca 0.65 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.81 2cri s PRO 70 Cb -0.52 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 29.80 2cri s PRO 70 CO 0.57 -2.04 0.00 0.41 0.04 0.00 0.00 177.00 175.98 2cri n GLY 71 N 5.43 1.10 3.38 0.56 0.00 -1.00 -4.84 105.19 109.82 2cri n GLY 71 Ca 0.21 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 2cri n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cri s SER 72 N -2.41 0.04 -0.07 1.61 0.01 -1.13 -4.98 113.70 106.77 2cri s SER 72 Ca 0.00 -1.07 0.05 0.00 1.31 0.00 0.00 55.95 56.24 2cri s SER 72 Cb 0.00 0.47 -0.01 0.00 0.21 0.00 0.00 66.02 66.69 2cri s SER 72 CO 0.00 -0.96 -0.24 -0.63 0.41 0.00 0.00 173.24 171.82 2cri s ILE 73 N -4.05 2.13 -0.09 1.44 1.01 -1.26 -2.39 121.20 117.98 2cri s ILE 73 Ca 0.26 -1.03 -0.00 0.00 0.00 0.00 0.00 60.65 59.88 2cri s ILE 73 Cb 0.03 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 2cri s ILE 73 CO 0.07 0.57 -0.08 -0.69 0.00 0.00 0.00 174.94 174.81 2cri s VAL 74 N -0.06 3.61 -0.39 2.92 1.01 -0.85 -4.90 120.40 121.73 2cri s VAL 74 Ca -0.06 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 2cri s VAL 74 Cb -0.15 -2.50 0.08 0.00 0.00 0.00 0.00 36.38 33.82 2cri s VAL 74 CO 0.05 0.57 0.18 -0.89 0.00 0.00 0.00 175.10 175.00 2cri s THR 75 N -0.39 3.60 0.42 3.92 2.01 -1.26 -0.72 115.64 123.21 2cri s THR 75 Ca 0.06 -1.65 -0.07 0.00 0.31 0.00 0.00 61.69 60.34 2cri s THR 75 Cb -0.12 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 2cri s THR 75 CO 0.02 -0.49 0.74 -0.69 -0.69 0.00 0.00 174.62 173.51 2cri s VAL 76 N 1.28 4.88 -0.24 3.82 1.01 -0.26 -4.86 120.40 126.03 2cri s VAL 76 Ca 0.03 0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.26 2cri s VAL 76 Cb -0.22 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2cri s VAL 76 CO -0.01 -0.62 0.10 -0.44 0.00 0.00 0.00 175.10 174.13 2cri s SER 77 N -3.57 5.53 -0.39 3.32 0.01 -0.46 -1.18 113.70 116.96 2cri s SER 77 Ca 0.48 -0.07 0.02 0.00 1.31 0.00 0.00 55.95 57.70 2cri s SER 77 Cb -0.10 -1.99 0.12 0.00 0.21 0.00 0.00 66.02 64.25 2cri s SER 77 CO 0.37 0.02 0.16 -0.69 0.41 0.00 0.00 173.24 173.51 2cri s VAL 78 N 1.28 1.66 -0.04 3.43 1.01 0.13 -0.08 120.40 127.80 2cri s VAL 78 Ca 0.06 -2.30 -0.20 0.00 0.00 0.00 0.00 61.98 59.53 2cri s VAL 78 Cb -0.15 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 2cri s VAL 78 CO 0.05 -0.75 0.58 -0.04 0.00 0.00 0.00 175.10 174.94 2cri s MET 79 N 0.74 4.32 -0.26 2.72 -1.94 -0.02 -1.16 119.30 123.70 2cri s MET 79 Ca 0.14 0.68 -0.11 0.00 -1.71 0.00 0.00 55.69 54.69 2cri s MET 79 Cb -0.21 -3.37 -0.05 0.00 2.01 0.00 0.00 34.83 33.21 2cri s MET 79 CO -0.09 0.30 0.17 -1.17 -0.01 0.00 0.00 175.02 174.22 2cri s LEU 80 N 0.06 4.01 0.51 -0.03 0.20 -1.07 -0.42 118.68 121.95 2cri s LEU 80 Ca 0.31 0.02 -0.23 0.00 0.69 0.00 0.00 54.13 54.91 2cri s LEU 80 Cb -0.17 -2.10 -0.06 0.00 -0.43 0.00 0.00 46.19 43.42 2cri s LEU 80 CO 0.16 -0.01 1.40 -1.10 -0.29 0.00 0.00 176.35 176.51 2cri s GLN 81 N 1.50 3.36 0.07 1.98 1.11 -1.07 -1.31 119.66 125.30 2cri s GLN 81 Ca 0.07 2.34 -0.31 0.00 0.01 0.00 0.00 55.36 57.47 2cri s GLN 81 Cb -0.15 -2.43 -0.07 0.00 -1.01 0.00 0.00 33.01 29.35 2cri s GLN 81 CO 0.08 -1.05 1.39 -1.25 0.01 0.00 0.00 175.29 174.48 2cri s PRO 82 N -2.71 4.31 0.18 2.91 0.04 -1.25 -4.87 135.00 133.60 2cri s PRO 82 Ca 0.67 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.64 2cri s PRO 82 Cb -0.42 -3.37 -0.00 0.00 0.04 0.00 0.00 34.50 30.75 2cri s PRO 82 CO 0.52 -0.48 0.35 -0.59 0.04 0.00 0.00 177.00 176.84 2cri s PHE 83 N 1.56 0.32 -0.62 0.56 -0.12 -0.71 -4.93 117.98 114.04 2cri s PHE 83 Ca 0.64 -0.67 -0.26 0.00 -0.05 0.00 0.00 56.93 56.59 2cri s PHE 83 Cb -0.35 0.05 -0.02 0.00 -0.63 0.00 0.00 43.02 42.06 2cri s PHE 83 CO 0.29 -0.79 1.89 0.16 -0.05 0.00 0.00 175.22 176.72 2cri s ASP 84 N -2.96 5.23 -0.32 1.98 1.47 -1.26 -4.56 116.67 116.25 2cri s ASP 84 Ca 0.17 0.31 -0.29 0.00 1.18 0.00 0.00 52.55 53.92 2cri s ASP 84 Cb 0.02 -2.53 -0.07 0.00 -0.34 0.00 0.00 42.92 40.00 2cri s ASP 84 CO 0.01 -2.42 2.28 0.00 0.68 0.00 0.00 175.17 175.72 2cri n TYR 85 N 12.94 1.75 -3.92 2.11 9.36 -1.26 -4.91 117.16 133.23 2cri n TYR 85 Ca 0.22 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 61.13 2cri n TYR 85 Cb 0.52 -2.67 -0.13 0.00 -0.63 0.00 0.00 39.34 36.43 2cri n TYR 85 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2cri s ASP 86 N 9.13 4.58 0.36 2.98 1.01 -1.26 -4.94 116.67 128.53 2cri s ASP 86 Ca 1.02 -2.80 0.15 0.00 0.71 0.00 0.00 52.55 51.63 2cri s ASP 86 Cb -0.40 -1.68 0.67 0.00 1.01 0.00 0.00 42.92 42.52 2cri s ASP 86 CO 0.35 -0.29 1.76 1.55 0.21 0.00 0.00 175.17 178.76 2cri h PRO 87 N 6.84 0.00 -0.39 8.23 0.13 -2.02 -3.00 132.00 141.79 2cri h PRO 87 Ca -0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.00 2cri h PRO 87 Cb 0.93 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 2cri h PRO 87 CO 0.66 0.42 -0.02 -0.97 -0.23 0.00 0.00 178.00 177.86 2cri h ASN 88 N 0.00 0.59 -3.23 1.44 -0.73 -2.01 -3.43 115.58 108.21 2cri h ASN 88 Ca -0.00 -0.13 -0.53 0.00 1.87 0.00 0.00 56.30 57.51 2cri h ASN 88 Cb 0.81 -0.16 0.02 0.00 0.27 0.00 0.00 38.32 39.26 2cri h ASN 88 CO 0.05 0.67 0.62 -0.70 -0.37 0.00 0.00 177.43 177.71 2cri s GLU 89 N -4.94 4.41 -0.40 6.67 2.12 -1.13 -4.96 118.70 120.47 2cri s GLU 89 Ca -0.08 1.92 -0.29 0.00 0.36 0.00 0.00 54.97 56.88 2cri s GLU 89 Cb 0.15 -3.27 0.01 0.00 0.26 0.00 0.00 34.13 31.28 2cri s GLU 89 CO 0.78 -0.27 1.39 0.21 -0.54 0.00 0.00 175.26 176.83 2cri s LYS 90 N 0.61 3.63 0.55 4.30 2.47 -1.26 -4.99 119.74 125.04 2cri s LYS 90 Ca 0.59 0.96 -0.21 0.00 -1.56 0.00 0.00 55.97 55.75 2cri s LYS 90 Cb -0.33 -4.00 -0.05 0.00 -1.46 0.00 0.00 37.83 31.99 2cri s LYS 90 CO 0.32 -1.50 1.29 -1.12 0.16 0.00 0.00 175.35 174.50 2cri s SER 91 N 3.72 5.37 -0.05 1.43 0.01 -1.26 -4.95 113.70 117.97 2cri s SER 91 Ca 0.60 2.59 0.14 0.00 1.31 0.00 0.00 55.95 60.60 2cri s SER 91 Cb -0.14 -2.62 0.27 0.00 0.21 0.00 0.00 66.02 63.75 2cri s SER 91 CO 0.31 -1.49 1.12 2.29 0.41 0.00 0.00 173.24 175.89 2cri n LYS 92 N -1.11 0.41 -4.25 12.44 2.85 -1.26 -5.08 118.16 122.16 2cri n LYS 92 Ca 0.11 -1.96 -0.24 0.00 -1.05 0.00 0.00 58.31 55.17 2cri n LYS 92 Cb 0.47 -0.60 -0.07 0.00 -0.65 0.00 0.00 35.03 34.17 2cri n LYS 92 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 2cri s HIS 93 N -0.87 2.78 0.13 5.58 -3.43 -1.26 -5.14 115.29 113.08 2cri s HIS 93 Ca 0.24 -0.18 -0.08 0.00 -0.80 0.00 0.00 55.06 54.23 2cri s HIS 93 Cb 0.25 -1.28 -0.01 0.00 -1.43 0.00 0.00 32.58 30.11 2cri s HIS 93 CO -0.08 0.57 0.23 0.21 -2.00 0.00 0.00 174.74 173.68 2cri s LYS 94 N -3.40 1.02 -0.10 -0.38 2.20 -1.26 -4.90 119.74 112.92 2cri s LYS 94 Ca 0.30 -1.10 0.02 0.00 -0.36 0.00 0.00 55.97 54.82 2cri s LYS 94 Cb -0.08 0.35 0.01 0.00 -1.51 0.00 0.00 37.83 36.61 2cri s LYS 94 CO 0.20 -0.35 -0.15 0.12 -0.36 0.00 0.00 175.35 174.80 2cri s PHE 95 N -3.93 1.93 -0.03 4.03 2.19 -0.93 -3.02 117.98 118.22 2cri s PHE 95 Ca 0.13 -0.87 0.02 0.00 0.33 0.00 0.00 56.93 56.53 2cri s PHE 95 Cb 0.04 -1.39 0.01 0.00 -1.31 0.00 0.00 43.02 40.37 2cri s PHE 95 CO -0.04 -0.44 -0.07 -1.64 1.83 0.00 0.00 175.22 174.85 2cri s MET 96 N 0.90 0.83 -0.02 10.12 -1.94 -1.23 -1.50 119.30 126.46 2cri s MET 96 Ca -0.09 -0.23 0.04 0.00 -1.71 0.00 0.00 55.69 53.70 2cri s MET 96 Cb -0.15 -0.80 -0.03 0.00 2.01 0.00 0.00 34.83 35.86 2cri s MET 96 CO -0.00 0.06 -0.12 0.08 -0.01 0.00 0.00 175.02 175.03 2cri s VAL 97 N 0.33 3.22 -0.13 -6.03 1.01 -0.79 -3.77 120.40 114.25 2cri s VAL 97 Ca -0.05 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 2cri s VAL 97 Cb -0.09 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 2cri s VAL 97 CO 0.00 0.49 -0.03 -1.58 0.00 0.00 0.00 175.10 173.98 2cri s GLN 98 N -1.05 3.37 -0.01 2.72 2.00 -1.17 0.59 119.66 126.10 2cri s GLN 98 Ca 0.14 -0.50 0.01 0.00 -2.00 0.00 0.00 55.36 53.00 2cri s GLN 98 Cb -0.11 -2.84 0.01 0.00 0.80 0.00 0.00 33.01 30.88 2cri s GLN 98 CO 0.03 0.42 -0.01 0.95 -0.50 0.00 0.00 175.29 176.18 2cri s THR 99 N -0.12 0.15 -0.18 -0.34 -4.23 0.16 -1.39 115.64 109.70 2cri s THR 99 Ca 0.03 -0.01 -0.16 0.00 -1.18 0.00 0.00 61.69 60.37 2cri s THR 99 Cb -0.13 -0.18 0.05 0.00 1.34 0.00 0.00 72.50 73.58 2cri s THR 99 CO 0.02 0.08 0.47 -0.51 -0.54 0.00 0.00 174.62 174.15 2cri s ILE 100 N 0.37 -0.00 0.72 2.99 2.07 0.19 -2.44 121.20 125.10 2cri s ILE 100 Ca -0.03 0.01 -0.16 0.00 -1.41 0.00 0.00 60.65 59.05 2cri s ILE 100 Cb -0.06 -0.66 -0.05 0.00 0.13 0.00 0.00 42.46 41.82 2cri s ILE 100 CO -0.01 0.00 0.44 0.49 -1.91 0.00 0.00 174.94 173.95 2cri n PHE 101 N 2.93 -1.10 -4.22 3.50 3.01 -1.26 -0.40 117.46 119.92 2cri n PHE 101 Ca -0.14 0.34 -0.35 0.00 1.01 0.00 0.00 57.45 58.31 2cri n PHE 101 Cb 0.57 -1.88 -0.09 0.00 -0.01 0.00 0.00 39.48 38.07 2cri n PHE 101 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2cri s ALA 102 N -1.92 3.42 0.96 4.37 0.00 0.12 -4.50 121.76 124.21 2cri s ALA 102 Ca 0.64 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 51.72 2cri s ALA 102 Cb -0.35 -1.65 0.16 0.00 0.00 0.00 0.00 23.12 21.28 2cri s ALA 102 CO 0.59 0.52 1.09 -1.25 0.00 0.00 0.00 175.76 176.72 2cri s PRO 103 N -0.68 0.75 0.40 0.00 0.04 -1.26 -4.78 135.00 129.47 2cri s PRO 103 Ca 0.11 0.63 0.19 0.00 0.04 0.00 0.00 61.00 61.98 2cri s PRO 103 Cb -0.12 -1.77 0.84 0.00 0.04 0.00 0.00 34.50 33.49 2cri s PRO 103 CO 0.02 -2.54 1.82 -1.00 0.04 0.00 0.00 177.00 175.34 2cri h PRO 104 N -1.76 0.00 -0.42 0.56 0.13 -1.99 -2.83 132.00 125.69 2cri h PRO 104 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2cri h PRO 104 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2cri h PRO 104 CO 0.56 0.33 0.00 0.09 -0.23 0.00 0.00 178.00 178.75 2cri n ASN 105 N -3.67 3.68 -3.87 1.44 3.02 -1.26 -4.99 115.26 109.61 2cri n ASN 105 Ca -0.01 -2.37 -0.27 0.00 -0.03 0.00 0.00 54.58 51.91 2cri n ASN 105 Cb 0.44 -0.41 -0.17 0.00 -0.61 0.00 0.00 39.78 39.03 2cri n ASN 105 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2cri n ILE 106 N 0.46 0.00 -0.00 2.41 0.13 -1.07 -4.58 119.36 116.70 2cri n ILE 106 Ca 0.18 -0.23 -0.01 0.00 -1.10 0.00 0.00 62.75 61.59 2cri n ILE 106 Cb 0.67 -0.20 -0.00 0.00 -0.84 0.00 0.00 39.64 39.27 2cri n ILE 106 CO 0.00 0.00 0.00 -1.20 2.80 0.00 0.00 176.55 178.15 2cri n SER 107 N 6.73 0.34 -4.28 9.51 7.64 -1.26 -4.94 113.62 127.36 2cri n SER 107 Ca 0.58 0.01 -0.44 0.00 1.01 0.00 0.00 58.87 60.02 2cri n SER 107 Cb 0.08 -0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.20 2cri n SER 107 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2cri s ASP 108 N -5.01 6.16 0.13 6.43 1.11 -1.26 -4.95 116.67 119.28 2cri s ASP 108 Ca -0.01 -2.14 -0.29 0.00 0.18 0.00 0.00 52.55 50.29 2cri s ASP 108 Cb 0.00 -2.14 -0.05 0.00 1.07 0.00 0.00 42.92 41.80 2cri s ASP 108 CO 0.02 -0.71 1.59 0.24 1.18 0.00 0.00 175.17 177.48 2cri h MET 109 N 8.36 -0.47 -0.71 8.23 2.86 -1.98 -0.88 114.93 130.33 2cri h MET 109 Ca -0.15 0.03 0.15 0.00 -2.06 0.00 0.00 59.70 57.67 2cri h MET 109 Cb 1.07 0.11 -0.11 0.00 0.06 0.00 0.00 31.60 32.73 2cri h MET 109 CO 0.90 -0.32 0.16 0.93 1.06 0.00 0.00 176.91 179.64 2cri h GLU 110 N -0.49 0.26 -0.75 1.72 5.08 -1.99 0.52 114.58 118.93 2cri h GLU 110 Ca 0.07 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2cri h GLU 110 Cb 0.62 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 2cri h GLU 110 CO -0.38 0.17 0.46 0.00 -1.00 0.00 0.00 179.01 178.27 2cri h ALA 111 N 1.58 1.00 0.46 3.43 0.00 -1.70 0.45 119.26 124.49 2cri h ALA 111 Ca 0.39 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 2cri h ALA 111 Cb 0.65 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2cri h ALA 111 CO -0.49 0.23 -0.22 0.28 0.00 0.00 0.00 179.25 179.04 2cri h VAL 112 N 0.88 0.51 -0.53 0.00 2.07 0.35 -1.65 116.25 117.89 2cri h VAL 112 Ca 0.31 -0.29 0.07 0.00 0.82 0.00 0.00 66.70 67.62 2cri h VAL 112 Cb 0.08 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2cri h VAL 112 CO -0.14 0.05 0.35 -0.50 0.02 0.00 0.00 177.57 177.36 2cri h TRP 113 N -0.80 0.42 0.40 1.57 4.06 -0.98 0.15 115.95 120.76 2cri h TRP 113 Ca -0.06 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.88 2cri h TRP 113 Cb 0.55 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.58 2cri h TRP 113 CO -0.01 0.22 -0.19 0.87 -3.56 0.00 0.00 178.44 175.77 2cri h LYS 114 N 0.41 -0.52 -0.60 0.49 1.57 -0.71 -3.18 116.57 114.03 2cri h LYS 114 Ca 0.23 0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 59.00 2cri h LYS 114 Cb 0.40 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 2cri h LYS 114 CO -0.06 -0.22 0.19 0.93 -0.57 0.00 0.00 179.45 179.72 2cri h GLU 115 N -0.82 0.91 -6.16 3.15 5.08 -0.91 -3.44 114.58 112.39 2cri h GLU 115 Ca -0.06 -0.18 -0.72 0.00 -1.00 0.00 0.00 59.36 57.41 2cri h GLU 115 Cb 0.54 -0.14 0.06 0.00 0.50 0.00 0.00 28.75 29.70 2cri h GLU 115 CO 0.09 0.79 0.25 0.00 -1.00 0.00 0.00 179.01 179.14 2cri n ALA 116 N -2.45 -2.04 -2.60 3.43 0.00 0.47 -4.94 120.51 112.37 2cri n ALA 116 Ca 0.05 0.54 -0.29 0.00 0.00 0.00 0.00 53.44 53.74 2cri n ALA 116 Cb 0.21 -1.94 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 2cri n ALA 116 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2cri s LYS 117 N 0.17 3.61 0.00 0.00 -0.14 -1.26 -4.96 119.74 117.15 2cri s LYS 117 Ca 0.85 -0.09 0.15 0.00 -1.36 0.00 0.00 55.97 55.52 2cri s LYS 117 Cb -1.06 -2.73 0.76 0.00 -1.68 0.00 0.00 37.83 33.12 2cri s LYS 117 CO 0.51 0.30 1.40 -0.35 -0.76 0.00 0.00 175.35 176.46 2cri n PRO 118 N -0.68 0.23 0.05 -1.68 -0.04 -1.26 -1.02 135.00 130.59 2cri n PRO 118 Ca -0.03 0.14 0.08 0.00 -0.04 0.00 0.00 63.50 63.66 2cri n PRO 118 Cb 0.53 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.43 2cri n PRO 118 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2cri n ASP 119 N -1.27 0.60 -0.05 3.54 8.00 -1.26 -4.32 116.55 121.79 2cri n ASP 119 Ca 0.07 0.24 -0.03 0.00 0.71 0.00 0.00 54.79 55.78 2cri n ASP 119 Cb 0.11 0.82 -0.11 0.00 -0.02 0.00 0.00 41.12 41.93 2cri n ASP 119 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2cri n GLU 120 N -2.61 1.53 -1.93 -1.24 1.02 -0.89 -4.98 120.64 111.54 2cri n GLU 120 Ca -0.04 -0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.64 2cri n GLU 120 Cb 0.63 -1.34 -0.03 0.00 -0.02 0.00 0.00 31.44 30.69 2cri n GLU 120 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2cri s LEU 121 N -4.75 4.37 -0.00 -4.62 1.43 -0.19 -4.99 118.68 109.93 2cri s LEU 121 Ca -0.06 2.58 -0.03 0.00 -1.03 0.00 0.00 54.13 55.59 2cri s LEU 121 Cb 0.05 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 2cri s LEU 121 CO 0.55 -0.84 0.20 -0.04 0.23 0.00 0.00 176.35 176.44 2cri s MET 122 N 1.58 3.46 0.24 1.70 -1.94 -1.02 -4.93 119.30 118.39 2cri s MET 122 Ca 0.71 -0.30 0.04 0.00 -1.71 0.00 0.00 55.69 54.44 2cri s MET 122 Cb -0.43 -3.09 -0.05 0.00 2.01 0.00 0.00 34.83 33.27 2cri s MET 122 CO 0.32 0.67 -0.02 0.16 -0.01 0.00 0.00 175.02 176.13 2cri s ASP 123 N -1.95 2.07 -0.13 3.03 -4.77 -1.26 -0.67 116.67 112.99 2cri s ASP 123 Ca 0.28 -1.20 -0.01 0.00 -3.30 0.00 0.00 52.55 48.32 2cri s ASP 123 Cb -0.13 -0.04 0.04 0.00 -1.09 0.00 0.00 42.92 41.70 2cri s ASP 123 CO 0.19 -0.46 -0.03 -0.55 0.70 0.00 0.00 175.17 175.02 2cri s SER 124 N -3.34 2.37 -0.36 2.11 0.15 0.20 -4.49 113.70 110.35 2cri s SER 124 Ca 0.28 -0.46 -0.25 0.00 0.70 0.00 0.00 55.95 56.21 2cri s SER 124 Cb 0.05 -0.71 0.01 0.00 -1.71 0.00 0.00 66.02 63.67 2cri s SER 124 CO 0.09 -0.20 0.90 -0.54 1.20 0.00 0.00 173.24 174.70 2cri s LYS 125 N 1.78 3.87 -0.06 5.44 -0.14 -1.26 -1.88 119.74 127.49 2cri s LYS 125 Ca 0.02 0.59 -0.03 0.00 -1.36 0.00 0.00 55.97 55.19 2cri s LYS 125 Cb -0.14 -3.79 0.03 0.00 -1.68 0.00 0.00 37.83 32.25 2cri s LYS 125 CO -0.07 -0.90 0.14 -1.17 -0.76 0.00 0.00 175.35 172.59 2cri s LEU 126 N 3.38 0.87 -0.12 3.17 0.20 -0.56 -4.96 118.68 120.65 2cri s LEU 126 Ca 0.37 0.29 -0.05 0.00 0.69 0.00 0.00 54.13 55.43 2cri s LEU 126 Cb -0.12 0.37 -0.04 0.00 -0.43 0.00 0.00 46.19 45.97 2cri s LEU 126 CO 0.17 -0.13 0.06 -0.60 -0.29 0.00 0.00 176.35 175.56 2cri s ARG 127 N 0.97 3.36 0.09 1.98 3.52 -1.26 -2.20 118.95 125.41 2cri s ARG 127 Ca -0.07 -0.31 -0.26 0.00 -0.13 0.00 0.00 55.73 54.96 2cri s ARG 127 Cb -0.10 -3.01 -0.06 0.00 -1.56 0.00 0.00 34.95 30.22 2cri s ARG 127 CO -0.05 0.63 0.81 0.00 -0.81 0.00 0.00 175.30 175.88 2cri s VAL 129 N -0.29 1.78 -0.38 0.00 1.01 -0.90 -4.96 120.40 116.66 2cri s VAL 129 Ca 0.40 -0.78 -0.23 0.00 0.00 0.00 0.00 61.98 61.37 2cri s VAL 129 Cb -0.22 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.54 2cri s VAL 129 CO 0.25 0.49 0.79 -0.36 0.00 0.00 0.00 175.10 176.27 2cri s PHE 130 N 1.30 3.09 0.04 5.22 0.40 -1.26 -0.45 117.98 126.31 2cri s PHE 130 Ca 0.03 0.48 0.02 0.00 -0.60 0.00 0.00 56.93 56.86 2cri s PHE 130 Cb -0.13 -3.46 -0.04 0.00 0.51 0.00 0.00 43.02 39.90 2cri s PHE 130 CO -0.10 -0.78 0.06 -1.21 0.70 0.00 0.00 175.22 173.89 2cri s GLU 131 N 3.15 2.90 0.04 0.44 2.02 -0.48 -4.93 118.70 121.83 2cri s GLU 131 Ca 0.31 -0.62 -0.25 0.00 0.02 0.00 0.00 54.97 54.44 2cri s GLU 131 Cb -0.13 -2.75 -0.05 0.00 0.10 0.00 0.00 34.13 31.30 2cri s GLU 131 CO 0.18 0.60 0.76 1.41 0.02 0.00 0.00 175.26 178.23 2cri s MET 132 N -2.00 4.48 0.22 1.61 -2.45 -1.26 -2.55 119.30 117.35 2cri s MET 132 Ca 0.25 1.04 -0.02 0.00 -1.25 0.00 0.00 55.69 55.72 2cri s MET 132 Cb -0.12 -3.37 0.20 0.00 1.25 0.00 0.00 34.83 32.79 2cri s MET 132 CO 0.17 0.27 1.58 -1.00 1.05 0.00 0.00 175.02 177.09 2cri h PRO 133 N 5.74 0.56 0.00 4.11 0.13 -1.93 -2.92 132.00 137.70 2cri h PRO 133 Ca -0.44 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 2cri h PRO 133 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2cri h PRO 133 CO 0.71 0.88 0.29 -0.97 -0.23 0.00 0.00 178.00 178.68 2cri h ASN 134 N 0.46 0.00 -2.61 1.44 -1.24 -1.98 -2.97 115.58 108.68 2cri h ASN 134 Ca 0.04 0.00 -0.61 0.00 0.71 0.00 0.00 56.30 56.44 2cri h ASN 134 Cb 0.93 0.00 -0.41 0.00 0.73 0.00 0.00 38.32 39.56 2cri h ASN 134 CO 0.08 0.00 -0.65 -0.62 -1.29 0.00 0.00 177.43 174.95 2cri n GLU 135 N -2.79 1.89 -0.32 6.67 1.02 -1.10 -4.94 120.64 121.07 2cri n GLU 135 Ca -0.02 -4.37 0.18 0.00 -0.02 0.00 0.00 57.16 52.93 2cri n GLU 135 Cb 0.34 -2.15 0.37 0.00 -0.02 0.00 0.00 31.44 29.98 2cri n GLU 135 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2cri h ASN 136 N 4.85 0.29 -3.52 1.62 4.21 -1.71 -3.40 115.58 117.90 2cri h ASN 136 Ca 0.17 0.19 -0.14 0.00 1.21 0.00 0.00 56.30 57.73 2cri h ASN 136 Cb 0.74 0.19 -0.26 0.00 -1.12 0.00 0.00 38.32 37.86 2cri h ASN 136 CO 0.72 -0.12 -0.33 -1.81 -1.29 0.00 0.00 177.43 174.60 2cri s ASP 137 N -5.03 -0.41 -0.04 5.81 1.01 -1.26 -4.97 116.67 111.78 2cri s ASP 137 Ca -0.11 0.75 -0.18 0.00 0.71 0.00 0.00 52.55 53.71 2cri s ASP 137 Cb 0.28 0.68 -0.05 0.00 1.01 0.00 0.00 42.92 44.84 2cri s ASP 137 CO 0.78 -0.16 0.50 -0.75 0.21 0.00 0.00 175.17 175.76 2cri s LYS 138 N 0.85 4.23 -0.81 8.23 2.20 -1.26 -4.93 119.74 128.25 2cri s LYS 138 Ca -0.05 0.55 -0.27 0.00 -0.36 0.00 0.00 55.97 55.84 2cri s LYS 138 Cb -0.06 -3.35 -0.18 0.00 -1.51 0.00 0.00 37.83 32.73 2cri s LYS 138 CO -0.06 0.37 2.24 1.28 -0.36 0.00 0.00 175.35 178.82 2cri n LEU 139 N 2.84 0.27 -4.31 5.43 4.77 -1.26 -4.84 117.00 119.90 2cri n LEU 139 Ca -0.09 0.18 -0.17 0.00 -0.03 0.00 0.00 56.01 55.90 2cri n LEU 139 Cb 0.51 -0.77 -0.09 0.00 -2.33 0.00 0.00 43.42 40.74 2cri n LEU 139 CO 0.42 -0.61 -0.21 0.20 -1.33 0.00 0.00 177.39 175.86 2cri s ASN 140 N 7.39 1.28 0.05 -1.43 0.02 -1.26 -5.17 114.94 115.82 2cri s ASN 140 Ca 1.13 -1.52 0.06 0.00 -1.02 0.00 0.00 52.86 51.52 2cri s ASN 140 Cb -1.07 0.36 -0.03 0.00 0.02 0.00 0.00 41.25 40.53 2cri s ASN 140 CO 0.42 -0.87 -0.17 1.51 0.02 0.00 0.00 177.10 178.01 2cri s ASP 141 N -3.33 2.05 0.97 -1.22 -4.77 -1.26 -5.14 116.67 103.97 2cri s ASP 141 Ca 0.37 -0.53 -0.16 0.00 -3.30 0.00 0.00 52.55 48.93 2cri s ASP 141 Cb 0.06 -0.14 0.07 0.00 -1.09 0.00 0.00 42.92 41.82 2cri s ASP 141 CO 0.17 0.06 -0.12 -1.54 0.70 0.00 0.00 175.17 174.44 2cri n SER 142 N 1.69 -2.73 -4.15 2.11 3.41 -1.26 -5.03 113.62 107.66 2cri n SER 142 Ca -0.18 -0.21 -0.23 0.00 -0.26 0.00 0.00 58.87 57.99 2cri n SER 142 Cb 0.54 -0.73 -0.09 0.00 -0.26 0.00 0.00 64.21 63.67 2cri n SER 142 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cri s GLY 143 N -1.66 2.34 0.35 5.00 0.00 -1.26 -5.03 107.32 107.05 2cri s GLY 143 Ca 0.36 -1.56 0.27 0.00 0.00 0.00 0.00 44.72 43.79 2cri s GLY 143 CO 0.43 -1.76 1.80 -0.56 0.00 0.00 0.00 173.10 173.01 2cri h PRO 144 N 1.98 0.00 -4.24 2.90 0.13 -1.96 -3.39 132.00 127.43 2cri h PRO 144 Ca -0.36 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 64.02 2cri h PRO 144 Cb 1.26 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.16 2cri h PRO 144 CO 0.58 0.00 0.04 0.45 -0.23 0.00 0.00 178.00 178.84 2cri s SER 145 N -4.66 6.40 0.26 1.44 0.15 -1.26 -5.02 113.70 111.01 2cri s SER 145 Ca 0.03 -2.00 0.02 0.00 0.70 0.00 0.00 55.95 54.70 2cri s SER 145 Cb 0.09 -2.25 -0.05 0.00 -1.71 0.00 0.00 66.02 62.10 2cri s SER 145 CO 0.43 -0.85 0.08 -0.44 1.20 0.00 0.00 173.24 173.66 2cri s SER 146 N 3.17 1.44 0.00 5.45 0.01 -1.26 -4.65 113.70 117.87 2cri s SER 146 Ca 0.12 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 56.02 2cri s SER 146 Cb -0.21 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.13 2cri s SER 146 CO -0.01 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.57