#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cri s SER 2 N 0.00 2.79 -0.04 1.61 0.15 -1.26 -5.15 113.70 111.81 2cri s SER 2 Ca 0.00 -0.75 0.04 0.00 0.70 0.00 0.00 55.95 55.93 2cri s SER 2 Cb 0.00 -0.17 -0.03 0.00 -1.71 0.00 0.00 66.02 64.11 2cri s SER 2 CO 0.00 0.06 -0.14 -0.44 1.20 0.00 0.00 173.24 173.93 2cri s SER 3 N -2.18 4.07 0.00 5.45 0.01 -1.26 -5.12 113.70 114.67 2cri s SER 3 Ca 0.11 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.17 2cri s SER 3 Cb -0.09 -0.86 0.00 0.00 0.21 0.00 0.00 66.02 65.29 2cri s SER 3 CO 0.06 0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.65 2cri n GLY 4 N 2.20 0.88 3.03 3.44 0.00 -1.26 -5.04 105.19 108.45 2cri n GLY 4 Ca -0.17 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 2cri n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cri s SER 5 N -1.00 3.47 0.06 1.61 0.15 -1.26 -5.02 113.70 111.71 2cri s SER 5 Ca 0.00 -0.90 -0.29 0.00 0.70 0.00 0.00 55.95 55.46 2cri s SER 5 Cb 0.00 -1.33 -0.18 0.00 -1.71 0.00 0.00 66.02 62.81 2cri s SER 5 CO 0.00 -0.12 1.56 0.77 1.20 0.00 0.00 173.24 176.65 2cri h SER 6 N 7.94 -0.52 -4.58 5.45 4.64 -2.02 -3.49 113.55 120.96 2cri h SER 6 Ca -0.30 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2cri h SER 6 Cb 1.10 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2cri h SER 6 CO 0.51 -0.32 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 2cri n GLY 7 N -1.15 -0.12 3.73 -0.77 0.00 -1.26 -4.93 105.19 100.69 2cri n GLY 7 Ca -0.11 -1.82 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 2cri n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2cri s MET 8 N -1.64 4.45 0.05 1.61 -2.45 -1.26 -5.06 119.30 115.00 2cri s MET 8 Ca 0.00 0.96 -0.02 0.00 -1.25 0.00 0.00 55.69 55.38 2cri s MET 8 Cb 0.00 -3.41 -0.03 0.00 1.25 0.00 0.00 34.83 32.64 2cri s MET 8 CO 0.00 0.15 0.01 0.00 1.05 0.00 0.00 175.02 176.22 2cri s ALA 9 N 0.48 0.29 -0.58 4.11 0.00 -1.26 -5.12 121.76 119.68 2cri s ALA 9 Ca 0.38 -0.95 -0.00 0.00 0.00 0.00 0.00 51.96 51.39 2cri s ALA 9 Cb -0.19 0.26 0.15 0.00 0.00 0.00 0.00 23.12 23.34 2cri s ALA 9 CO 0.20 -0.33 0.37 0.15 0.00 0.00 0.00 175.76 176.15 2cri s LYS 10 N -3.26 2.34 -0.15 0.00 1.02 -1.26 -5.04 119.74 113.40 2cri s LYS 10 Ca 0.01 -2.53 -0.34 0.00 0.02 0.00 0.00 55.97 53.13 2cri s LYS 10 Cb 0.03 -3.59 0.13 0.00 -0.52 0.00 0.00 37.83 33.89 2cri s LYS 10 CO -0.08 -1.15 1.14 -3.38 -0.92 0.00 0.00 175.35 170.97 2cri s HIS 11 N -0.10 -0.18 -0.10 3.18 -3.43 -1.26 -4.93 115.29 108.47 2cri s HIS 11 Ca 0.17 0.12 -0.30 0.00 -0.80 0.00 0.00 55.06 54.25 2cri s HIS 11 Cb -0.22 0.52 0.07 0.00 -1.43 0.00 0.00 32.58 31.52 2cri s HIS 11 CO -0.02 -0.28 0.70 -2.00 -2.00 0.00 0.00 174.74 171.14 2cri s GLU 12 N -2.53 1.00 -0.03 -0.38 2.12 -1.26 -5.05 118.70 112.56 2cri s GLU 12 Ca 0.08 0.43 -0.23 0.00 0.36 0.00 0.00 54.97 55.61 2cri s GLU 12 Cb -0.01 0.47 0.05 0.00 0.26 0.00 0.00 34.13 34.90 2cri s GLU 12 CO -0.06 -0.27 0.50 1.14 -0.54 0.00 0.00 175.26 176.03 2cri s GLN 13 N -0.82 0.87 0.17 4.30 0.00 -1.26 -4.47 119.66 118.45 2cri s GLN 13 Ca -0.08 0.05 -0.09 0.00 -0.00 0.00 0.00 55.36 55.23 2cri s GLN 13 Cb -0.01 0.40 0.03 0.00 0.00 0.00 0.00 33.01 33.43 2cri s GLN 13 CO 0.08 -0.26 1.54 0.97 0.00 0.00 0.00 175.29 177.62 2cri h ILE 14 N 3.43 1.27 -3.23 3.63 6.09 -1.96 -3.42 117.51 123.32 2cri h ILE 14 Ca -0.28 -1.45 -0.58 0.00 -1.37 0.00 0.00 64.86 61.18 2cri h ILE 14 Cb 1.16 1.25 -0.07 0.00 0.47 0.00 0.00 36.82 39.63 2cri h ILE 14 CO 0.39 0.49 0.55 -0.76 -3.07 0.00 0.00 178.15 175.76 2cri s LEU 15 N -8.95 4.14 -0.77 2.19 1.43 -1.26 -4.37 118.68 111.09 2cri s LEU 15 Ca -0.11 1.25 -0.26 0.00 -1.03 0.00 0.00 54.13 53.98 2cri s LEU 15 Cb 0.12 -3.36 0.03 0.00 0.03 0.00 0.00 46.19 43.01 2cri s LEU 15 CO 0.87 -0.51 1.32 -0.69 0.23 0.00 0.00 176.35 177.56 2cri s VAL 16 N 2.60 3.73 0.87 -1.59 1.01 0.10 -4.90 120.40 122.23 2cri s VAL 16 Ca 0.41 0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.54 2cri s VAL 16 Cb -0.16 -4.91 0.12 0.00 0.00 0.00 0.00 36.38 31.43 2cri s VAL 16 CO 0.10 -1.84 1.11 -0.76 0.00 0.00 0.00 175.10 173.72 2cri s LEU 17 N 5.76 2.76 -0.22 3.92 1.02 -1.26 -1.15 118.68 129.51 2cri s LEU 17 Ca 0.37 1.96 -0.06 0.00 0.02 0.00 0.00 54.13 56.42 2cri s LEU 17 Cb -0.07 -4.43 0.10 0.00 0.02 0.00 0.00 46.19 41.81 2cri s LEU 17 CO 0.12 -2.72 0.44 -0.62 0.02 0.00 0.00 176.35 173.59 2cri s ASP 18 N -3.00 -0.29 0.24 2.29 2.15 0.15 -2.27 116.67 115.94 2cri s ASP 18 Ca 0.64 0.92 -0.30 0.00 0.43 0.00 0.00 52.55 54.25 2cri s ASP 18 Cb -0.20 1.42 -0.09 0.00 -0.30 0.00 0.00 42.92 43.74 2cri s ASP 18 CO 0.57 -0.24 1.27 -2.16 -0.17 0.00 0.00 175.17 174.45 2cri s PRO 19 N 2.63 4.42 0.37 4.34 0.04 -1.26 -1.06 135.00 144.48 2cri s PRO 19 Ca 0.01 2.05 0.16 0.00 0.04 0.00 0.00 61.00 63.26 2cri s PRO 19 Cb -0.13 -3.16 0.71 0.00 0.04 0.00 0.00 34.50 31.96 2cri s PRO 19 CO -0.14 -0.16 1.78 -1.00 0.04 0.00 0.00 177.00 177.52 2cri h PRO 20 N 4.65 0.00 0.00 0.56 0.13 -1.82 -3.36 132.00 132.15 2cri h PRO 20 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2cri h PRO 20 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2cri h PRO 20 CO 0.73 0.40 0.00 0.43 -0.23 0.00 0.00 178.00 179.32 2cri n SER 21 N -3.80 0.00 -3.88 1.44 7.64 -1.26 -4.96 113.62 108.81 2cri n SER 21 Ca -0.01 0.27 -0.11 0.00 1.01 0.00 0.00 58.87 60.03 2cri n SER 21 Cb 0.47 -0.22 -0.10 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.89 0.03 -0.86 6.43 1.47 -1.26 -4.27 116.67 116.32 2cri s ASP 22 Ca 0.00 -0.18 -0.20 0.00 1.18 0.00 0.00 52.55 53.35 2cri s ASP 22 Cb 0.00 0.20 0.11 0.00 -0.34 0.00 0.00 42.92 42.90 2cri s ASP 22 CO 0.00 -0.31 1.09 -0.22 0.68 0.00 0.00 175.17 176.40 2cri s LEU 23 N -1.19 4.86 0.50 2.11 2.96 -1.23 -4.59 118.68 122.11 2cri s LEU 23 Ca -0.13 -1.77 -0.21 0.00 -0.22 0.00 0.00 54.13 51.80 2cri s LEU 23 Cb -0.07 -2.41 -0.07 0.00 0.50 0.00 0.00 46.19 44.14 2cri s LEU 23 CO 0.01 -1.16 1.12 -0.54 -1.32 0.00 0.00 176.35 174.46 2cri s LYS 24 N 3.07 3.61 -0.14 1.98 1.02 -1.26 -2.68 119.74 125.33 2cri s LYS 24 Ca 0.30 1.62 0.01 0.00 0.02 0.00 0.00 55.97 57.92 2cri s LYS 24 Cb -0.08 -2.18 0.02 0.00 -0.52 0.00 0.00 37.83 35.07 2cri s LYS 24 CO -0.05 -0.64 -0.15 -0.06 -0.92 0.00 0.00 175.35 173.53 2cri s PHE 25 N -1.72 2.19 -0.38 3.18 0.40 -0.68 -4.91 117.98 116.05 2cri s PHE 25 Ca 0.68 -1.19 -0.29 0.00 -0.60 0.00 0.00 56.93 55.53 2cri s PHE 25 Cb -0.24 -1.59 0.02 0.00 0.51 0.00 0.00 43.02 41.72 2cri s PHE 25 CO 0.28 -0.64 1.12 0.21 0.70 0.00 0.00 175.22 176.90 2cri s LYS 26 N 1.35 3.91 0.00 0.44 2.47 -1.26 -2.35 119.74 124.30 2cri s LYS 26 Ca 0.02 0.89 0.00 0.00 -1.56 0.00 0.00 55.97 55.32 2cri s LYS 26 Cb -0.13 -3.82 0.00 0.00 -1.46 0.00 0.00 37.83 32.42 2cri s LYS 26 CO -0.09 -1.12 0.00 0.41 0.16 0.00 0.00 175.35 174.72 2cri n GLY 27 N 4.30 -2.67 3.61 5.54 0.00 -1.20 -4.82 105.19 109.95 2cri n GLY 27 Ca 0.12 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.50 -0.91 0.00 1.61 0.04 -1.26 -4.72 135.00 129.25 2cri s PRO 28 Ca 0.00 0.05 0.22 0.00 0.04 0.00 0.00 61.00 61.31 2cri s PRO 28 Cb 0.00 -1.62 0.37 0.00 0.04 0.00 0.00 34.50 33.29 2cri s PRO 28 CO 0.00 -3.53 1.34 1.19 0.04 0.00 0.00 177.00 176.05 2cri n PHE 29 N -4.65 0.42 1.14 0.56 3.72 -1.26 -4.28 117.46 113.11 2cri n PHE 29 Ca 0.11 -0.22 0.02 0.00 -0.05 0.00 0.00 57.45 57.31 2cri n PHE 29 Cb 0.59 -0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.21 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 1.39 0.37 -3.61 4.37 5.66 -1.26 -2.26 114.28 118.93 2cri n THR 30 Ca 0.18 -0.25 -0.08 0.00 -3.05 0.00 0.00 64.05 60.84 2cri n THR 30 Cb 0.58 -0.10 -0.02 0.00 -1.55 0.00 0.00 70.33 69.24 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 -0.69 -0.37 0.09 1.09 2.15 -1.26 -4.97 116.67 112.72 2cri s ASP 31 Ca 0.11 -0.23 -0.32 0.00 0.43 0.00 0.00 52.55 52.55 2cri s ASP 31 Cb 0.07 0.56 -0.11 0.00 -0.30 0.00 0.00 42.92 43.13 2cri s ASP 31 CO 0.06 -0.96 1.80 0.52 -0.17 0.00 0.00 175.17 176.42 2cri n VAL 32 N -0.38 0.34 -4.10 1.11 0.31 -1.26 -4.22 118.33 110.12 2cri n VAL 32 Ca -0.10 -0.06 -0.24 0.00 -0.01 0.00 0.00 64.34 63.94 2cri n VAL 32 Cb 0.62 -1.97 -0.05 0.00 -0.91 0.00 0.00 33.84 31.53 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 2.63 4.49 -0.10 2.52 1.01 0.40 -4.95 120.40 126.40 2cri s VAL 33 Ca 0.83 -1.25 0.01 0.00 0.00 0.00 0.00 61.98 61.57 2cri s VAL 33 Cb -0.56 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.48 2cri s VAL 33 CO 0.40 -0.25 -0.10 -0.89 0.00 0.00 0.00 175.10 174.26 2cri s THR 34 N -1.97 1.14 -0.07 3.92 2.01 -1.26 0.04 115.64 119.45 2cri s THR 34 Ca 0.32 -0.41 -0.00 0.00 0.31 0.00 0.00 61.69 61.91 2cri s THR 34 Cb -0.09 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.34 2cri s THR 34 CO 0.24 0.38 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.61 2cri s THR 35 N 1.25 0.68 -0.06 -0.82 2.01 -0.29 -4.87 115.64 113.54 2cri s THR 35 Ca -0.03 -0.13 -0.19 0.00 0.31 0.00 0.00 61.69 61.66 2cri s THR 35 Cb -0.14 -0.74 -0.05 0.00 0.01 0.00 0.00 72.50 71.58 2cri s THR 35 CO -0.04 0.29 0.52 0.54 -0.69 0.00 0.00 174.62 175.24 2cri s ASN 36 N 1.46 6.81 -0.44 3.53 4.22 -1.26 -0.78 114.94 128.49 2cri s ASN 36 Ca -0.02 0.97 -0.10 0.00 -2.14 0.00 0.00 52.86 51.57 2cri s ASN 36 Cb -0.13 -2.31 0.09 0.00 1.28 0.00 0.00 41.25 40.17 2cri s ASN 36 CO -0.04 0.07 0.29 -0.22 -2.04 0.00 0.00 177.10 175.17 2cri s LEU 37 N 0.14 5.33 0.00 3.54 0.20 -0.63 -4.86 118.68 122.40 2cri s LEU 37 Ca 0.28 -1.59 -0.30 0.00 0.69 0.00 0.00 54.13 53.21 2cri s LEU 37 Cb -0.16 -2.01 -0.03 0.00 -0.43 0.00 0.00 46.19 43.55 2cri s LEU 37 CO 0.13 -0.59 1.04 -0.54 -0.29 0.00 0.00 176.35 176.11 2cri s LYS 38 N 1.43 4.51 -0.27 1.98 1.02 -0.23 -2.26 119.74 125.92 2cri s LYS 38 Ca 0.04 1.50 0.02 0.00 0.02 0.00 0.00 55.97 57.55 2cri s LYS 38 Cb -0.24 -3.45 0.07 0.00 -0.52 0.00 0.00 37.83 33.70 2cri s LYS 38 CO 0.02 -0.13 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.76 2cri s LEU 39 N 1.15 3.33 0.20 3.17 1.43 -0.16 0.34 118.68 128.14 2cri s LEU 39 Ca 0.53 -1.50 -0.15 0.00 -1.03 0.00 0.00 54.13 51.98 2cri s LEU 39 Cb -0.23 -1.38 -0.08 0.00 0.03 0.00 0.00 46.19 44.53 2cri s LEU 39 CO 0.27 -0.26 0.62 -1.58 0.23 0.00 0.00 176.35 175.63 2cri s GLN 40 N 1.20 4.02 -0.34 1.70 -0.44 -0.30 -1.99 119.66 123.51 2cri s GLN 40 Ca -0.02 0.57 0.02 0.00 -2.50 0.00 0.00 55.36 53.43 2cri s GLN 40 Cb -0.19 -2.80 0.10 0.00 -1.64 0.00 0.00 33.01 28.48 2cri s GLN 40 CO -0.07 0.39 0.10 1.21 0.50 0.00 0.00 175.29 177.41 2cri s ASN 41 N -1.89 4.32 0.53 6.67 2.47 -0.86 -0.73 114.94 125.46 2cri s ASN 41 Ca 0.43 -1.99 0.33 0.00 0.42 0.00 0.00 52.86 52.05 2cri s ASN 41 Cb -0.14 -1.23 1.38 0.00 -1.45 0.00 0.00 41.25 39.81 2cri s ASN 41 CO 0.20 -0.38 1.98 1.55 -3.72 0.00 0.00 177.10 176.72 2cri h PRO 42 N 7.72 0.00 -7.43 0.43 0.13 -1.89 -2.86 132.00 128.11 2cri h PRO 42 Ca -0.08 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.56 2cri h PRO 42 Cb 1.00 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.25 2cri h PRO 42 CO 0.50 0.00 0.34 -1.54 -0.23 0.00 0.00 178.00 177.07 2cri s SER 43 N -5.55 4.47 -0.09 1.44 1.04 -1.26 -4.81 113.70 108.94 2cri s SER 43 Ca 0.01 1.25 0.15 0.00 0.48 0.00 0.00 55.95 57.84 2cri s SER 43 Cb 0.09 -1.97 0.51 0.00 0.10 0.00 0.00 66.02 64.75 2cri s SER 43 CO 0.52 -1.98 1.43 -0.90 0.98 0.00 0.00 173.24 173.30 2cri n ASP 44 N -3.43 3.82 -4.07 7.02 5.68 -1.26 -1.57 116.55 122.74 2cri n ASP 44 Ca 0.07 -2.44 -0.24 0.00 -0.50 0.00 0.00 54.79 51.68 2cri n ASP 44 Cb 0.57 -0.44 -0.16 0.00 -1.14 0.00 0.00 41.12 39.95 2cri n ASP 44 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cri s ARG 45 N -1.81 1.53 0.18 0.11 1.70 -1.26 -4.73 118.95 114.66 2cri s ARG 45 Ca 0.38 -0.47 -0.30 0.00 -0.47 0.00 0.00 55.73 54.87 2cri s ARG 45 Cb 0.25 -1.33 -0.17 0.00 -0.57 0.00 0.00 34.95 33.14 2cri s ARG 45 CO 0.17 0.14 0.76 1.63 -1.08 0.00 0.00 175.30 176.92 2cri n LYS 46 N 3.38 0.35 -4.07 3.89 5.02 -1.26 -4.59 118.16 120.88 2cri n LYS 46 Ca -0.19 0.12 -0.25 0.00 -2.02 0.00 0.00 58.31 55.97 2cri n LYS 46 Cb 0.53 -1.32 -0.17 0.00 -0.02 0.00 0.00 35.03 34.05 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 -0.75 0.93 0.16 -0.18 1.01 -1.22 -0.21 120.40 120.12 2cri s VAL 47 Ca 0.68 -0.27 -0.28 0.00 0.00 0.00 0.00 61.98 62.11 2cri s VAL 47 Cb -0.94 -0.94 -0.07 0.00 0.00 0.00 0.00 36.38 34.43 2cri s VAL 47 CO 0.56 0.34 0.89 0.00 0.00 0.00 0.00 175.10 176.89 2cri s PHE 49 N -0.62 0.68 -0.22 0.00 -0.71 -0.98 -0.44 117.98 115.69 2cri s PHE 49 Ca 0.42 -0.16 -0.03 0.00 -1.04 0.00 0.00 56.93 56.11 2cri s PHE 49 Cb -0.24 -0.55 -0.00 0.00 -1.21 0.00 0.00 43.02 41.02 2cri s PHE 49 CO 0.29 -0.12 -0.06 0.15 -1.34 0.00 0.00 175.22 174.14 2cri s LYS 50 N 0.53 3.27 -0.19 1.99 1.02 -0.95 -2.86 119.74 122.55 2cri s LYS 50 Ca -0.07 -0.69 -0.21 0.00 0.02 0.00 0.00 55.97 55.02 2cri s LYS 50 Cb -0.10 -2.96 -0.02 0.00 -0.52 0.00 0.00 37.83 34.23 2cri s LYS 50 CO 0.00 -0.22 0.66 0.08 -0.92 0.00 0.00 175.35 174.95 2cri s VAL 51 N 1.44 5.00 -0.26 3.17 1.01 -0.61 -2.96 120.40 127.19 2cri s VAL 51 Ca 0.05 1.26 -0.10 0.00 0.00 0.00 0.00 61.98 63.19 2cri s VAL 51 Cb -0.14 -3.97 0.11 0.00 0.00 0.00 0.00 36.38 32.37 2cri s VAL 51 CO -0.05 0.10 0.58 -1.59 0.00 0.00 0.00 175.10 174.15 2cri s LYS 52 N 1.91 0.52 0.39 2.72 -2.85 -1.20 -4.83 119.74 116.40 2cri s LYS 52 Ca 0.30 1.28 0.08 0.00 -1.00 0.00 0.00 55.97 56.63 2cri s LYS 52 Cb -0.16 0.58 -0.04 0.00 -2.06 0.00 0.00 37.83 36.15 2cri s LYS 52 CO 0.11 -0.20 0.22 -0.08 0.10 0.00 0.00 175.35 175.49 2cri s THR 53 N 2.57 2.63 0.26 3.79 -1.32 -1.26 -2.81 115.64 119.49 2cri s THR 53 Ca -0.06 -1.60 0.14 0.00 -1.21 0.00 0.00 61.69 58.96 2cri s THR 53 Cb -0.11 -3.00 0.05 0.00 -1.51 0.00 0.00 72.50 67.94 2cri s THR 53 CO -0.17 -0.06 1.69 0.71 -2.21 0.00 0.00 174.62 174.58 2cri h THR 54 N 1.36 1.22 -2.33 5.08 1.35 -1.95 -3.31 112.91 114.33 2cri h THR 54 Ca -0.43 -1.76 -0.65 0.00 -0.55 0.00 0.00 66.41 63.02 2cri h THR 54 Cb 1.26 1.99 -0.39 0.00 -1.73 0.00 0.00 68.15 69.27 2cri h THR 54 CO 0.65 0.48 -0.27 0.00 -0.25 0.00 0.00 175.52 176.13 2cri n ALA 55 N -2.39 4.53 0.20 6.62 0.00 -1.26 -4.85 120.51 123.37 2cri n ALA 55 Ca -0.01 -4.76 0.06 0.00 0.00 0.00 0.00 53.44 48.73 2cri n ALA 55 Cb 0.54 -1.18 0.41 0.00 0.00 0.00 0.00 19.45 19.22 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 4.12 0.00 0.00 0.00 0.13 -1.83 -1.85 132.00 132.56 2cri h PRO 56 Ca 0.21 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.31 2cri h PRO 56 Cb 0.59 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 2cri h PRO 56 CO 0.94 0.33 -0.15 0.00 -0.23 0.00 0.00 178.00 178.89 2cri h ARG 57 N 0.00 0.00 -0.05 0.86 3.08 -1.93 -2.28 114.38 114.06 2cri h ARG 57 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2cri h ARG 57 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2cri h ARG 57 CO 0.04 0.15 0.00 2.89 -1.07 0.00 0.00 179.97 181.98 2cri n ARG 58 N -4.17 0.91 -5.19 0.04 -4.01 -1.09 -4.95 116.66 98.21 2cri n ARG 58 Ca -0.02 -1.32 -0.32 0.00 -1.04 0.00 0.00 57.85 55.15 2cri n ARG 58 Cb 0.22 -1.24 -0.17 0.00 -3.04 0.00 0.00 32.46 28.24 2cri n ARG 58 CO 0.00 0.00 0.00 0.71 -3.04 0.00 0.00 177.63 175.30 2cri s TYR 59 N -1.02 2.56 -0.40 2.89 2.02 -0.72 -2.76 117.35 119.92 2cri s TYR 59 Ca 0.15 -0.93 0.03 0.00 -0.37 0.00 0.00 57.07 55.96 2cri s TYR 59 Cb 0.11 -1.70 0.11 0.00 -0.40 0.00 0.00 41.96 40.08 2cri s TYR 59 CO 0.16 -0.35 0.14 0.00 -1.57 0.00 0.00 175.55 173.93 2cri s VAL 61 N 0.62 5.37 -0.12 0.00 1.01 -1.26 -1.48 120.40 124.55 2cri s VAL 61 Ca 0.13 0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 2cri s VAL 61 Cb -0.21 -3.51 0.06 0.00 0.00 0.00 0.00 36.38 32.71 2cri s VAL 61 CO -0.07 0.40 0.25 -0.60 0.00 0.00 0.00 175.10 175.07 2cri s ARG 62 N 0.61 0.16 0.52 2.72 3.52 -0.04 -2.79 118.95 123.65 2cri s ARG 62 Ca 0.09 0.65 -0.20 0.00 -0.13 0.00 0.00 55.73 56.14 2cri s ARG 62 Cb -0.12 -0.08 -0.06 0.00 -1.56 0.00 0.00 34.95 33.12 2cri s ARG 62 CO 0.01 -0.24 1.14 -1.25 -0.81 0.00 0.00 175.30 174.15 2cri s PRO 63 N 1.96 3.45 0.17 5.12 0.04 -1.26 -0.90 135.00 143.58 2cri s PRO 63 Ca -0.03 1.65 0.25 0.00 0.04 0.00 0.00 61.00 62.91 2cri s PRO 63 Cb -0.11 -2.10 0.91 0.00 0.04 0.00 0.00 34.50 33.24 2cri s PRO 63 CO -0.08 -0.78 1.77 0.27 0.04 0.00 0.00 177.00 178.22 2cri n ASN 64 N -1.11 0.59 -3.55 6.66 6.94 -1.12 -4.81 115.26 118.86 2cri n ASN 64 Ca 0.11 0.58 -0.07 0.00 -0.02 0.00 0.00 54.58 55.17 2cri n ASN 64 Cb 0.50 -0.73 -0.02 0.00 -2.36 0.00 0.00 39.78 37.18 2cri n ASN 64 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2cri s SER 65 N -4.11 -0.30 0.00 0.53 0.15 -1.26 -1.57 113.70 107.14 2cri s SER 65 Ca 0.10 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2cri s SER 65 Cb 0.13 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2cri s SER 65 CO 0.52 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2cri n GLY 66 N -0.26 -0.57 3.02 9.45 0.00 -1.13 -5.04 105.19 110.66 2cri n GLY 66 Ca -0.07 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.50 0.78 -0.45 -0.61 1.01 -1.26 -2.33 121.20 114.83 2cri s ILE 67 Ca 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 60.65 60.12 2cri s ILE 67 Cb 0.00 -0.68 0.06 0.00 0.01 0.00 0.00 42.46 41.86 2cri s ILE 67 CO 0.00 0.23 0.36 -0.63 0.00 0.00 0.00 174.94 174.90 2cri s ILE 68 N -0.01 5.09 0.42 2.92 1.01 -0.87 -4.96 121.20 124.80 2cri s ILE 68 Ca 0.00 -1.03 -0.15 0.00 0.00 0.00 0.00 60.65 59.47 2cri s ILE 68 Cb -0.06 -4.01 -0.13 0.00 0.01 0.00 0.00 42.46 38.27 2cri s ILE 68 CO 0.00 -0.51 -0.09 0.47 0.00 0.00 0.00 174.94 174.80 2cri n ASP 69 N 5.15 -3.05 -4.62 3.58 8.00 -1.26 -3.41 116.55 120.93 2cri n ASP 69 Ca -0.12 0.56 -0.43 0.00 0.71 0.00 0.00 54.79 55.52 2cri n ASP 69 Cb 0.44 -0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 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 -0.84 3.70 0.00 -0.24 0.04 -1.26 -2.92 135.00 133.48 2cri s PRO 70 Ca 0.48 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2cri s PRO 70 Cb -0.43 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.05 2cri s PRO 70 CO 0.56 -1.40 0.00 0.41 0.04 0.00 0.00 177.00 176.60 2cri n GLY 71 N 4.82 0.86 3.13 0.56 0.00 -0.61 -4.84 105.19 109.10 2cri n GLY 71 Ca 0.19 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 2cri n GLY 71 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cri n SER 72 N 1.47 -0.74 -4.05 1.61 7.64 -1.15 -4.97 113.62 113.43 2cri n SER 72 Ca 0.00 -3.11 -0.22 0.00 1.01 0.00 0.00 58.87 56.55 2cri n SER 72 Cb 0.45 1.69 -0.16 0.00 -1.01 0.00 0.00 64.21 65.19 2cri n SER 72 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2cri s ILE 73 N -3.28 1.00 -0.08 0.44 1.01 -1.26 -2.02 121.20 117.01 2cri s ILE 73 Ca 0.38 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.57 2cri s ILE 73 Cb 0.02 -0.88 -0.02 0.00 0.01 0.00 0.00 42.46 41.59 2cri s ILE 73 CO 0.27 0.30 -0.15 -0.69 0.00 0.00 0.00 174.94 174.67 2cri s VAL 74 N 0.11 2.91 -0.43 2.92 1.01 -0.84 -4.93 120.40 121.15 2cri s VAL 74 Ca -0.03 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 2cri s VAL 74 Cb -0.09 -2.17 0.11 0.00 0.00 0.00 0.00 36.38 34.23 2cri s VAL 74 CO 0.01 0.56 0.26 -0.89 0.00 0.00 0.00 175.10 175.04 2cri s THR 75 N -0.20 3.80 0.39 3.92 2.01 -1.26 -0.99 115.64 123.32 2cri s THR 75 Ca -0.00 -1.80 -0.16 0.00 0.31 0.00 0.00 61.69 60.03 2cri s THR 75 Cb -0.13 -3.49 -0.09 0.00 0.01 0.00 0.00 72.50 68.79 2cri s THR 75 CO 0.03 -0.66 0.84 -0.69 -0.69 0.00 0.00 174.62 173.45 2cri s VAL 76 N 1.28 4.59 -0.49 3.82 1.01 -0.96 -4.86 120.40 124.80 2cri s VAL 76 Ca 0.06 1.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.98 2cri s VAL 76 Cb -0.24 -3.64 0.08 0.00 0.00 0.00 0.00 36.38 32.58 2cri s VAL 76 CO -0.02 -0.34 0.45 -0.44 0.00 0.00 0.00 175.10 174.75 2cri s SER 77 N -2.47 6.16 -0.63 3.32 0.01 -0.08 -1.60 113.70 118.42 2cri s SER 77 Ca 0.57 -1.34 -0.08 0.00 1.31 0.00 0.00 55.95 56.41 2cri s SER 77 Cb -0.10 -2.20 0.16 0.00 0.21 0.00 0.00 66.02 64.09 2cri s SER 77 CO 0.20 -0.72 0.50 -0.69 0.41 0.00 0.00 173.24 172.94 2cri s VAL 78 N 1.79 4.46 -0.03 3.43 1.01 0.04 -0.86 120.40 130.24 2cri s VAL 78 Ca 0.06 -2.40 -0.26 0.00 0.00 0.00 0.00 61.98 59.38 2cri s VAL 78 Cb -0.24 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2cri s VAL 78 CO 0.07 -0.89 0.81 -0.04 0.00 0.00 0.00 175.10 175.05 2cri s MET 79 N 0.51 4.49 -0.36 2.72 -1.94 -0.55 -1.14 119.30 123.03 2cri s MET 79 Ca 0.13 1.10 -0.11 0.00 -1.71 0.00 0.00 55.69 55.09 2cri s MET 79 Cb -0.19 -3.45 0.02 0.00 2.01 0.00 0.00 34.83 33.22 2cri s MET 79 CO -0.04 0.04 0.21 -1.17 -0.01 0.00 0.00 175.02 174.05 2cri s LEU 80 N 0.81 4.64 0.76 -0.03 0.20 0.11 -2.16 118.68 123.00 2cri s LEU 80 Ca 0.43 -0.85 -0.15 0.00 0.69 0.00 0.00 54.13 54.25 2cri s LEU 80 Cb -0.19 -2.04 0.04 0.00 -0.43 0.00 0.00 46.19 43.56 2cri s LEU 80 CO 0.22 -0.35 1.10 0.00 -0.29 0.00 0.00 176.35 177.04 2cri n GLN 81 N 5.02 0.42 -2.21 1.98 1.13 -1.11 -0.45 117.38 122.17 2cri n GLN 81 Ca -0.12 0.21 -0.42 0.00 -1.94 0.00 0.00 57.00 54.73 2cri n GLN 81 Cb 0.47 -2.35 -0.03 0.00 0.11 0.00 0.00 30.24 28.44 2cri n GLN 81 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2cri s PRO 82 N -3.70 4.35 0.02 -1.09 0.04 -1.26 -4.76 135.00 128.60 2cri s PRO 82 Ca 0.74 2.04 -0.25 0.00 0.04 0.00 0.00 61.00 63.57 2cri s PRO 82 Cb -0.32 -3.25 0.06 0.00 0.04 0.00 0.00 34.50 31.03 2cri s PRO 82 CO 0.50 -0.38 0.56 -0.59 0.04 0.00 0.00 177.00 177.13 2cri s PHE 83 N 0.88 -0.49 -0.42 0.56 -0.71 -0.96 -4.96 117.98 111.88 2cri s PHE 83 Ca 0.62 0.64 -0.28 0.00 -1.04 0.00 0.00 56.93 56.87 2cri s PHE 83 Cb -0.36 0.37 -0.01 0.00 -1.21 0.00 0.00 43.02 41.81 2cri s PHE 83 CO 0.32 -0.64 1.64 -0.51 -1.34 0.00 0.00 175.22 174.69 2cri s ASP 84 N -1.77 5.98 -0.53 1.98 1.01 -1.26 -4.61 116.67 117.47 2cri s ASP 84 Ca -0.07 0.91 -0.27 0.00 0.71 0.00 0.00 52.55 53.83 2cri s ASP 84 Cb -0.01 -2.53 -0.09 0.00 1.01 0.00 0.00 42.92 41.30 2cri s ASP 84 CO 0.01 -1.71 2.43 0.00 0.21 0.00 0.00 175.17 176.11 2cri n TYR 85 N 10.07 1.37 -3.95 4.23 9.36 -1.26 -4.89 117.16 132.08 2cri n TYR 85 Ca 0.19 0.14 -0.31 0.00 3.32 0.00 0.00 57.90 61.25 2cri n TYR 85 Cb 0.48 -2.61 -0.14 0.00 -0.63 0.00 0.00 39.34 36.44 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 11.32 4.45 0.16 2.98 1.01 -1.26 -4.95 116.67 130.38 2cri s ASP 86 Ca 1.04 -2.83 -0.08 0.00 0.71 0.00 0.00 52.55 51.38 2cri s ASP 86 Cb -0.35 -1.65 0.02 0.00 1.01 0.00 0.00 42.92 41.95 2cri s ASP 86 CO 0.31 -0.27 1.51 1.55 0.21 0.00 0.00 175.17 178.48 2cri h PRO 87 N 6.75 0.85 -0.07 8.23 0.13 -2.02 -2.95 132.00 142.93 2cri h PRO 87 Ca -0.07 -0.44 0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2cri h PRO 87 Cb 0.92 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.06 2cri h PRO 87 CO 0.66 1.08 0.39 -0.91 -0.23 0.00 0.00 178.00 178.99 2cri h ASN 88 N 0.70 0.00 -2.14 1.44 2.35 -2.01 -1.78 115.58 114.13 2cri h ASN 88 Ca 0.06 0.00 -0.71 0.00 -0.55 0.00 0.00 56.30 55.10 2cri h ASN 88 Cb 0.96 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 38.99 2cri h ASN 88 CO 0.09 0.00 0.28 -0.62 -1.65 0.00 0.00 177.43 175.53 2cri n GLU 89 N -2.99 4.11 -1.21 0.81 1.02 -1.11 -4.82 120.64 116.45 2cri n GLU 89 Ca -0.00 -4.55 -0.26 0.00 -0.02 0.00 0.00 57.16 52.32 2cri n GLU 89 Cb 0.46 -2.34 0.03 0.00 -0.02 0.00 0.00 31.44 29.57 2cri n GLU 89 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2cri n LYS 90 N -0.24 2.25 -0.38 3.49 2.85 -0.67 -4.73 118.16 120.73 2cri n LYS 90 Ca 0.42 -2.37 -0.03 0.00 -1.05 0.00 0.00 58.31 55.27 2cri n LYS 90 Cb 0.35 -1.96 0.01 0.00 -0.65 0.00 0.00 35.03 32.78 2cri n LYS 90 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 2cri h SER 91 N 2.02 -1.57 -0.65 -5.58 0.02 -1.88 -3.41 113.55 102.48 2cri h SER 91 Ca 0.43 0.31 0.21 0.00 -0.84 0.00 0.00 61.79 61.89 2cri h SER 91 Cb 0.77 0.79 -0.24 0.00 0.14 0.00 0.00 62.40 63.87 2cri h SER 91 CO 1.09 -0.28 0.25 -0.75 -1.14 0.00 0.00 176.83 176.00 2cri s LYS 92 N -5.86 0.22 -0.21 3.45 2.47 -1.26 -5.16 119.74 113.39 2cri s LYS 92 Ca -0.13 0.51 -0.07 0.00 -1.56 0.00 0.00 55.97 54.71 2cri s LYS 92 Cb 0.18 0.30 0.10 0.00 -1.46 0.00 0.00 37.83 36.95 2cri s LYS 92 CO 0.69 -0.12 0.44 -1.58 0.16 0.00 0.00 175.35 174.95 2cri s HIS 93 N 2.52 -0.87 0.36 4.03 2.46 -1.26 -5.03 115.29 117.49 2cri s HIS 93 Ca -0.01 1.58 -0.05 0.00 0.47 0.00 0.00 55.06 57.05 2cri s HIS 93 Cb -0.06 0.35 0.02 0.00 -0.13 0.00 0.00 32.58 32.76 2cri s HIS 93 CO -0.16 -0.52 0.55 1.63 -2.47 0.00 0.00 174.74 173.78 2cri n LYS 94 N 5.40 0.80 -4.15 2.88 5.02 -1.26 -4.74 118.16 122.11 2cri n LYS 94 Ca -0.09 -2.61 -0.25 0.00 -2.02 0.00 0.00 58.31 53.34 2cri n LYS 94 Cb 0.49 2.67 -0.17 0.00 -0.02 0.00 0.00 35.03 38.00 2cri n LYS 94 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2cri s PHE 95 N -2.81 1.39 -0.18 2.13 2.19 0.37 -3.43 117.98 117.64 2cri s PHE 95 Ca 0.25 -0.61 -0.08 0.00 0.33 0.00 0.00 56.93 56.83 2cri s PHE 95 Cb -0.02 -1.12 -0.04 0.00 -1.31 0.00 0.00 43.02 40.53 2cri s PHE 95 CO 0.18 -0.40 0.07 -1.64 1.83 0.00 0.00 175.22 175.26 2cri s MET 96 N 1.31 3.94 -0.11 10.12 -1.94 -1.12 -2.06 119.30 129.43 2cri s MET 96 Ca -0.03 -0.32 -0.01 0.00 -1.71 0.00 0.00 55.69 53.63 2cri s MET 96 Cb -0.14 -3.22 0.03 0.00 2.01 0.00 0.00 34.83 33.50 2cri s MET 96 CO -0.04 0.33 -0.06 0.08 -0.01 0.00 0.00 175.02 175.32 2cri s VAL 97 N 0.23 0.93 0.05 -6.03 1.01 -1.09 -3.27 120.40 112.22 2cri s VAL 97 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.80 2cri s VAL 97 Cb -0.12 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2cri s VAL 97 CO 0.00 0.35 0.16 -1.58 0.00 0.00 0.00 175.10 174.03 2cri s GLN 98 N 1.73 3.25 -0.13 2.72 0.74 -1.15 -0.43 119.66 126.38 2cri s GLN 98 Ca 0.05 -0.49 -0.13 0.00 0.05 0.00 0.00 55.36 54.84 2cri s GLN 98 Cb -0.13 -2.95 0.04 0.00 1.10 0.00 0.00 33.01 31.07 2cri s GLN 98 CO -0.08 0.61 0.37 0.95 -0.55 0.00 0.00 175.29 176.59 2cri s THR 99 N -1.41 0.00 -0.01 -0.34 -4.23 -0.47 -2.24 115.64 106.94 2cri s THR 99 Ca 0.31 -0.02 -0.27 0.00 -1.18 0.00 0.00 61.69 60.53 2cri s THR 99 Cb -0.13 -0.52 0.06 0.00 1.34 0.00 0.00 72.50 73.25 2cri s THR 99 CO 0.23 -0.01 0.60 -0.51 -0.54 0.00 0.00 174.62 174.39 2cri s ILE 100 N 0.13 0.01 0.42 2.99 2.07 0.42 -3.04 121.20 124.20 2cri s ILE 100 Ca -0.01 -0.10 -0.25 0.00 -1.41 0.00 0.00 60.65 58.88 2cri s ILE 100 Cb -0.03 -0.95 -0.08 0.00 0.13 0.00 0.00 42.46 41.53 2cri s ILE 100 CO 0.01 -0.06 1.23 -0.36 -1.91 0.00 0.00 174.94 173.85 2cri s PHE 101 N -1.69 2.90 -0.09 3.50 0.08 -1.26 0.15 117.98 121.57 2cri s PHE 101 Ca -0.09 1.49 -0.09 0.00 0.12 0.00 0.00 56.93 58.36 2cri s PHE 101 Cb -0.01 -3.52 -0.04 0.00 -0.57 0.00 0.00 43.02 38.88 2cri s PHE 101 CO 0.05 -1.72 0.21 0.00 -0.10 0.00 0.00 175.22 173.66 2cri s ALA 102 N -1.37 3.82 0.81 5.36 0.00 0.70 -4.64 121.76 126.44 2cri s ALA 102 Ca 0.59 -0.53 -0.11 0.00 0.00 0.00 0.00 51.96 51.91 2cri s ALA 102 Cb -0.34 -2.09 0.08 0.00 0.00 0.00 0.00 23.12 20.77 2cri s ALA 102 CO 0.42 0.56 1.09 -1.25 0.00 0.00 0.00 175.76 176.59 2cri s PRO 103 N -0.98 1.99 -0.01 0.00 0.04 -1.26 -4.70 135.00 130.07 2cri s PRO 103 Ca 0.17 1.08 -0.25 0.00 0.04 0.00 0.00 61.00 62.04 2cri s PRO 103 Cb -0.13 -1.87 -0.19 0.00 0.04 0.00 0.00 34.50 32.34 2cri s PRO 103 CO 0.06 -1.80 1.28 -1.00 0.04 0.00 0.00 177.00 175.58 2cri h PRO 104 N -1.24 0.05 -0.94 0.56 0.13 -1.99 -3.06 132.00 125.51 2cri h PRO 104 Ca -0.45 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2cri h PRO 104 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2cri h PRO 104 CO 0.52 0.52 0.01 0.27 -0.23 0.00 0.00 178.00 179.10 2cri n ASN 105 N -4.81 1.99 -4.65 1.44 6.94 -1.26 -4.93 115.26 109.98 2cri n ASN 105 Ca -0.08 -2.18 -0.62 0.00 -0.02 0.00 0.00 54.58 51.68 2cri n ASN 105 Cb 0.27 -0.54 -0.09 0.00 -2.36 0.00 0.00 39.78 37.06 2cri n ASN 105 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2cri n ILE 106 N 0.12 0.12 -0.04 1.53 3.06 -1.16 -4.85 119.36 118.15 2cri n ILE 106 Ca 0.06 -0.04 -0.05 0.00 -2.50 0.00 0.00 62.75 60.22 2cri n ILE 106 Cb 0.45 -0.83 -0.02 0.00 0.54 0.00 0.00 39.64 39.78 2cri n ILE 106 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 2cri n SER 107 N 5.35 1.45 -4.00 9.51 2.88 -1.26 -4.98 113.62 122.57 2cri n SER 107 Ca 0.33 0.23 -0.31 0.00 -1.33 0.00 0.00 58.87 57.80 2cri n SER 107 Cb 0.03 -0.57 -0.16 0.00 -0.75 0.00 0.00 64.21 62.77 2cri n SER 107 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2cri s ASP 108 N -5.74 3.84 0.36 -3.46 2.15 -1.26 -4.99 116.67 107.57 2cri s ASP 108 Ca -0.17 -1.12 0.16 0.00 0.43 0.00 0.00 52.55 51.85 2cri s ASP 108 Cb 0.02 -1.32 1.05 0.00 -0.30 0.00 0.00 42.92 42.38 2cri s ASP 108 CO 0.25 -0.18 1.72 0.24 -0.17 0.00 0.00 175.17 177.03 2cri h MET 109 N 7.91 0.41 -0.37 4.34 2.86 -2.00 0.17 114.93 128.24 2cri h MET 109 Ca -0.23 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.42 2cri h MET 109 Cb 1.07 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.61 2cri h MET 109 CO 0.46 0.27 0.16 0.93 1.06 0.00 0.00 176.91 179.79 2cri h GLU 110 N 0.42 0.33 -0.75 1.72 5.08 -2.00 -1.93 114.58 117.45 2cri h GLU 110 Ca 0.66 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.97 2cri h GLU 110 Cb 1.54 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.68 2cri h GLU 110 CO -0.42 0.22 0.36 0.00 -1.00 0.00 0.00 179.01 178.16 2cri h ALA 111 N 1.21 0.96 0.65 3.43 0.00 -1.12 -2.62 119.26 121.77 2cri h ALA 111 Ca 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2cri h ALA 111 Cb 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2cri h ALA 111 CO -0.13 0.52 -0.49 0.28 0.00 0.00 0.00 179.25 179.43 2cri h VAL 112 N 1.05 0.02 -0.94 0.00 2.07 -0.88 -0.14 116.25 117.43 2cri h VAL 112 Ca 0.26 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.98 2cri h VAL 112 Cb 0.12 0.02 -0.11 0.00 -1.52 0.00 0.00 31.29 29.80 2cri h VAL 112 CO -0.03 0.00 0.51 -0.50 0.02 0.00 0.00 177.57 177.56 2cri h TRP 113 N -1.10 0.87 0.49 1.57 4.06 -1.33 0.95 115.95 121.45 2cri h TRP 113 Ca -0.08 0.04 -0.02 0.00 2.06 0.00 0.00 58.89 60.88 2cri h TRP 113 Cb 0.92 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 28.84 2cri h TRP 113 CO -0.18 0.09 -0.23 0.87 -3.56 0.00 0.00 178.44 175.43 2cri h LYS 114 N 0.58 -0.63 -0.66 0.49 1.57 -1.06 -2.88 116.57 113.98 2cri h LYS 114 Ca 0.57 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.48 2cri h LYS 114 Cb 0.99 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 2cri h LYS 114 CO -0.45 -0.36 0.44 0.93 -0.57 0.00 0.00 179.45 179.44 2cri h GLU 115 N -0.79 0.53 -6.61 3.15 5.08 -0.07 -3.42 114.58 112.44 2cri h GLU 115 Ca -0.07 -0.03 -0.57 0.00 -1.00 0.00 0.00 59.36 57.69 2cri h GLU 115 Cb 0.56 -0.12 0.07 0.00 0.50 0.00 0.00 28.75 29.77 2cri h GLU 115 CO 0.11 0.35 0.75 0.00 -1.00 0.00 0.00 179.01 179.22 2cri n ALA 116 N -2.49 1.62 -2.58 3.43 0.00 0.24 -4.98 120.51 115.75 2cri n ALA 116 Ca 0.11 0.41 -0.27 0.00 0.00 0.00 0.00 53.44 53.68 2cri n ALA 116 Cb 0.33 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 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 0.07 3.58 0.00 0.00 -0.14 -1.26 -4.97 119.74 117.02 2cri s LYS 117 Ca 0.71 -0.11 0.15 0.00 -1.36 0.00 0.00 55.97 55.36 2cri s LYS 117 Cb -0.61 -2.67 0.71 0.00 -1.68 0.00 0.00 37.83 33.58 2cri s LYS 117 CO 0.45 0.22 1.42 -0.35 -0.76 0.00 0.00 175.35 176.32 2cri n PRO 118 N -1.08 0.16 0.00 -1.68 -0.04 -1.26 -1.51 135.00 129.59 2cri n PRO 118 Ca -0.03 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.71 2cri n PRO 118 Cb 0.54 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.33 0.98 -0.01 3.54 8.00 -1.26 -4.28 116.55 122.18 2cri n ASP 119 Ca 0.06 -0.87 0.01 0.00 0.71 0.00 0.00 54.79 54.71 2cri n ASP 119 Cb 0.13 0.75 -0.05 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 -1.34 1.07 -2.41 -1.24 1.02 -0.78 -5.01 120.64 111.95 2cri n GLU 120 Ca 0.05 -0.04 -0.41 0.00 -0.02 0.00 0.00 57.16 56.74 2cri n GLU 120 Cb 0.34 -1.14 -0.04 0.00 -0.02 0.00 0.00 31.44 30.58 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 -3.73 4.49 -0.04 -4.62 1.43 -0.57 -5.00 118.68 110.64 2cri s LEU 121 Ca -0.02 2.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 2cri s LEU 121 Cb 0.03 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.60 2cri s LEU 121 CO 0.25 -0.29 -0.02 -0.04 0.23 0.00 0.00 176.35 176.48 2cri s MET 122 N -0.77 2.82 0.40 1.70 -1.94 -1.17 -4.95 119.30 115.38 2cri s MET 122 Ca 0.49 -0.54 0.06 0.00 -1.71 0.00 0.00 55.69 53.99 2cri s MET 122 Cb -0.32 -2.67 -0.07 0.00 2.01 0.00 0.00 34.83 33.77 2cri s MET 122 CO 0.39 0.66 0.02 0.16 -0.01 0.00 0.00 175.02 176.24 2cri s ASP 123 N -1.16 3.52 -0.06 3.03 1.47 -1.26 -1.37 116.67 120.85 2cri s ASP 123 Ca 0.16 -1.40 -0.02 0.00 1.18 0.00 0.00 52.55 52.46 2cri s ASP 123 Cb -0.11 -0.24 0.04 0.00 -0.34 0.00 0.00 42.92 42.27 2cri s ASP 123 CO 0.05 -0.53 0.10 -0.44 0.68 0.00 0.00 175.17 175.04 2cri s SER 124 N -3.67 0.59 -0.43 2.11 0.01 0.42 -4.30 113.70 108.44 2cri s SER 124 Ca 0.33 0.20 -0.23 0.00 1.31 0.00 0.00 55.95 57.56 2cri s SER 124 Cb 0.09 0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.42 2cri s SER 124 CO 0.16 -0.21 0.80 -0.54 0.41 0.00 0.00 173.24 173.86 2cri s LYS 125 N 1.84 3.51 -0.01 12.44 -0.14 -1.26 -2.66 119.74 133.46 2cri s LYS 125 Ca -0.01 0.03 0.07 0.00 -1.36 0.00 0.00 55.97 54.70 2cri s LYS 125 Cb -0.12 -3.90 -0.02 0.00 -1.68 0.00 0.00 37.83 32.11 2cri s LYS 125 CO -0.04 -1.06 -0.21 -1.17 -0.76 0.00 0.00 175.35 172.11 2cri s LEU 126 N 3.28 2.06 -0.23 3.17 0.20 -0.88 -5.05 118.68 121.24 2cri s LEU 126 Ca 0.31 -0.40 -0.01 0.00 0.69 0.00 0.00 54.13 54.72 2cri s LEU 126 Cb -0.12 -1.07 0.02 0.00 -0.43 0.00 0.00 46.19 44.58 2cri s LEU 126 CO 0.21 0.25 -0.09 -0.60 -0.29 0.00 0.00 176.35 175.83 2cri s ARG 127 N -0.59 2.97 0.16 1.98 3.52 -1.26 -0.47 118.95 125.26 2cri s ARG 127 Ca 0.08 -0.88 -0.30 0.00 -0.13 0.00 0.00 55.73 54.50 2cri s ARG 127 Cb -0.08 -2.89 -0.07 0.00 -1.56 0.00 0.00 34.95 30.35 2cri s ARG 127 CO -0.00 -0.32 1.11 0.00 -0.81 0.00 0.00 175.30 175.28 2cri s VAL 129 N -0.10 3.85 -0.49 0.00 1.01 -1.09 -4.94 120.40 118.64 2cri s VAL 129 Ca 0.50 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 2cri s VAL 129 Cb -0.29 -2.73 0.04 0.00 0.00 0.00 0.00 36.38 33.40 2cri s VAL 129 CO 0.34 0.45 0.78 -0.36 0.00 0.00 0.00 175.10 176.31 2cri s PHE 130 N 0.86 2.95 0.34 5.22 0.08 -1.26 -1.69 117.98 124.48 2cri s PHE 130 Ca 0.00 -0.04 0.07 0.00 0.12 0.00 0.00 56.93 57.08 2cri s PHE 130 Cb -0.14 -3.72 -0.01 0.00 -0.57 0.00 0.00 43.02 38.57 2cri s PHE 130 CO 0.02 -1.09 0.45 -1.21 -0.10 0.00 0.00 175.22 173.29 2cri s GLU 131 N 3.31 3.03 0.01 0.44 2.02 -0.99 -4.98 118.70 121.54 2cri s GLU 131 Ca 0.26 -1.08 0.01 0.00 0.02 0.00 0.00 54.97 54.18 2cri s GLU 131 Cb -0.14 -2.75 -0.01 0.00 0.10 0.00 0.00 34.13 31.33 2cri s GLU 131 CO 0.19 0.04 -0.03 -1.64 0.02 0.00 0.00 175.26 173.85 2cri s MET 132 N -4.16 0.22 0.69 1.61 -1.94 -1.26 -3.27 119.30 111.20 2cri s MET 132 Ca 0.45 -0.30 -0.14 0.00 -1.71 0.00 0.00 55.69 54.00 2cri s MET 132 Cb -0.09 -0.07 0.01 0.00 2.01 0.00 0.00 34.83 36.70 2cri s MET 132 CO 0.30 0.01 1.10 -1.25 -0.01 0.00 0.00 175.02 175.18 2cri s PRO 133 N -0.63 2.66 -0.30 2.03 0.04 -1.26 -4.86 135.00 132.68 2cri s PRO 133 Ca -0.05 1.33 -0.14 0.00 0.04 0.00 0.00 61.00 62.18 2cri s PRO 133 Cb -0.04 -1.94 0.16 0.00 0.04 0.00 0.00 34.50 32.71 2cri s PRO 133 CO -0.00 -1.35 0.91 0.54 0.04 0.00 0.00 177.00 177.14 2cri s ASN 134 N -2.80 -0.70 0.27 6.66 4.22 -1.26 -5.03 114.94 116.30 2cri s ASN 134 Ca 0.65 0.97 -0.28 0.00 -2.14 0.00 0.00 52.86 52.06 2cri s ASN 134 Cb -0.20 1.78 -0.15 0.00 1.28 0.00 0.00 41.25 43.97 2cri s ASN 134 CO 0.45 -0.14 0.94 1.21 -2.04 0.00 0.00 177.10 177.53 2cri n GLU 135 N 5.02 1.14 -0.86 3.55 4.07 -1.26 -4.89 120.64 127.40 2cri n GLU 135 Ca -0.10 0.40 -0.33 0.00 -0.06 0.00 0.00 57.16 57.07 2cri n GLU 135 Cb 0.52 -1.72 0.14 0.00 -0.06 0.00 0.00 31.44 30.32 2cri n GLU 135 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2cri n ASN 136 N 1.36 -0.39 -4.87 4.31 4.13 -1.26 -4.99 115.26 113.55 2cri n ASN 136 Ca 0.11 0.45 -0.33 0.00 1.68 0.00 0.00 54.58 56.48 2cri n ASN 136 Cb 0.31 -1.38 -0.05 0.00 -1.54 0.00 0.00 39.78 37.12 2cri n ASN 136 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2cri s ASP 137 N -2.22 6.61 -0.47 6.41 2.15 -1.26 -4.95 116.67 122.94 2cri s ASP 137 Ca 0.65 0.78 -0.38 0.00 0.43 0.00 0.00 52.55 54.04 2cri s ASP 137 Cb -0.25 -2.17 -0.17 0.00 -0.30 0.00 0.00 42.92 40.03 2cri s ASP 137 CO 0.59 0.10 1.92 2.29 -0.17 0.00 0.00 175.17 179.90 2cri n LYS 138 N 0.52 0.00 -3.42 4.34 2.85 -1.26 -4.88 118.16 116.31 2cri n LYS 138 Ca -0.05 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.07 2cri n LYS 138 Cb 0.52 -1.31 -0.10 0.00 -0.65 0.00 0.00 35.03 33.48 2cri n LYS 138 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2cri s LEU 139 N 5.47 -0.37 -0.64 -5.58 2.96 -1.26 -5.11 118.68 114.16 2cri s LEU 139 Ca 1.06 -0.03 -0.23 0.00 -0.22 0.00 0.00 54.13 54.72 2cri s LEU 139 Cb -1.30 0.75 0.06 0.00 0.50 0.00 0.00 46.19 46.20 2cri s LEU 139 CO 0.57 -0.32 0.97 0.54 -1.32 0.00 0.00 176.35 176.79 2cri s ASN 140 N 2.43 6.21 -0.14 3.68 2.20 -1.26 -4.87 114.94 123.20 2cri s ASN 140 Ca 0.10 -0.82 -0.20 0.00 -0.94 0.00 0.00 52.86 51.00 2cri s ASN 140 Cb -0.16 -2.43 -0.25 0.00 -2.00 0.00 0.00 41.25 36.42 2cri s ASN 140 CO -0.15 -1.41 0.51 -2.24 -2.94 0.00 0.00 177.10 170.88 2cri h ASP 141 N 9.53 0.20 -1.96 3.54 2.03 -2.01 -3.44 116.42 124.31 2cri h ASP 141 Ca -0.28 -0.79 -0.51 0.00 -0.73 0.00 0.00 57.03 54.72 2cri h ASP 141 Cb 1.07 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.50 2cri h ASP 141 CO 1.16 1.45 1.48 -0.44 -1.03 0.00 0.00 179.24 181.86 2cri s SER 142 N -6.82 5.08 0.00 4.15 0.01 -1.26 -4.75 113.70 110.12 2cri s SER 142 Ca -0.22 1.08 0.00 0.00 1.31 0.00 0.00 55.95 58.12 2cri s SER 142 Cb 0.03 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2cri s SER 142 CO 0.70 -2.39 0.00 0.61 0.41 0.00 0.00 173.24 172.58 2cri n GLY 143 N 5.78 0.39 0.00 3.44 0.00 -1.26 -4.84 105.19 108.70 2cri n GLY 143 Ca 0.29 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.39 2cri n GLY 143 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cri n PRO 144 N -0.53 0.48 -3.74 1.61 -0.04 -1.26 -4.85 135.00 126.67 2cri n PRO 144 Ca 0.00 0.01 -0.25 0.00 -0.04 0.00 0.00 63.50 63.22 2cri n PRO 144 Cb 0.00 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.00 2cri n PRO 144 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cri n SER 145 N -1.01 -3.55 -3.47 3.54 7.64 -1.26 -4.98 113.62 110.53 2cri n SER 145 Ca 0.12 -0.74 -0.02 0.00 1.01 0.00 0.00 58.87 59.24 2cri n SER 145 Cb 0.06 -4.26 -0.05 0.00 -1.01 0.00 0.00 64.21 58.95 2cri n SER 145 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cri s SER 146 N -3.78 -0.87 0.00 6.43 0.15 -1.26 -5.22 113.70 109.15 2cri s SER 146 Ca 0.36 1.09 0.00 0.00 0.70 0.00 0.00 55.95 58.09 2cri s SER 146 Cb -0.17 1.93 0.00 0.00 -1.71 0.00 0.00 66.02 66.06 2cri s SER 146 CO 0.80 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.60