#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 5.41 -0.12 1.61 0.15 -1.26 -4.97 113.70 114.52 2cri s SER 2 Ca 0.00 -0.84 -0.27 0.00 0.70 0.00 0.00 55.95 55.54 2cri s SER 2 Cb 0.00 -1.94 -0.27 0.00 -1.71 0.00 0.00 66.02 62.10 2cri s SER 2 CO 0.00 -0.27 0.75 0.28 1.20 0.00 0.00 173.24 175.20 2cri h SER 3 N 8.31 0.10 0.00 5.45 0.02 -2.08 -3.51 113.55 121.85 2cri h SER 3 Ca -0.28 -0.96 0.00 0.00 -0.84 0.00 0.00 61.79 59.71 2cri h SER 3 Cb 1.11 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2cri h SER 3 CO 0.62 1.13 0.00 0.61 -1.14 0.00 0.00 176.83 178.05 2cri n GLY 4 N 1.61 0.37 4.11 -3.77 0.00 -1.26 -5.02 105.19 101.23 2cri n GLY 4 Ca -0.13 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 2cri n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cri n SER 5 N 0.00 -2.84 -4.31 1.61 7.64 -1.26 -4.91 113.62 109.55 2cri n SER 5 Ca 0.00 -0.97 -0.42 0.00 1.01 0.00 0.00 58.87 58.48 2cri n SER 5 Cb 0.00 -3.01 -0.09 0.00 -1.01 0.00 0.00 64.21 60.10 2cri n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cri s SER 6 N -3.55 5.88 -0.07 6.43 0.15 -1.26 -5.04 113.70 116.23 2cri s SER 6 Ca 0.55 -1.50 -0.25 0.00 0.70 0.00 0.00 55.95 55.45 2cri s SER 6 Cb -0.30 -2.08 0.06 0.00 -1.71 0.00 0.00 66.02 61.99 2cri s SER 6 CO 0.90 -0.62 0.58 -0.83 1.20 0.00 0.00 173.24 174.47 2cri s GLY 7 N 2.47 -0.45 -1.07 9.45 0.00 -1.26 -5.09 107.32 111.37 2cri s GLY 7 Ca 0.04 1.14 -0.19 0.00 0.00 0.00 0.00 44.72 45.71 2cri s GLY 7 CO 0.04 0.85 1.40 -0.29 0.00 0.00 0.00 173.10 175.09 2cri s MET 8 N -0.95 3.74 0.59 2.90 -2.45 -1.26 -5.00 119.30 116.87 2cri s MET 8 Ca -0.10 -1.69 -0.07 0.00 -1.25 0.00 0.00 55.69 52.59 2cri s MET 8 Cb -0.02 -5.21 0.00 0.00 1.25 0.00 0.00 34.83 30.85 2cri s MET 8 CO 0.07 -2.02 0.92 0.00 1.05 0.00 0.00 175.02 175.04 2cri s ALA 9 N 3.63 3.25 -0.33 4.11 0.00 -1.26 -5.06 121.76 126.10 2cri s ALA 9 Ca 0.43 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 2cri s ALA 9 Cb -0.01 -2.68 0.06 0.00 0.00 0.00 0.00 23.12 20.49 2cri s ALA 9 CO -0.05 -0.78 0.08 0.15 0.00 0.00 0.00 175.76 175.15 2cri s LYS 10 N -5.01 2.44 -0.27 0.00 3.01 -1.26 -5.08 119.74 113.56 2cri s LYS 10 Ca 0.54 -1.33 -0.08 0.00 -1.01 0.00 0.00 55.97 54.09 2cri s LYS 10 Cb -0.11 -3.36 -0.02 0.00 -1.01 0.00 0.00 37.83 33.33 2cri s LYS 10 CO 0.46 -0.72 0.10 -1.01 0.51 0.00 0.00 175.35 174.69 2cri s HIS 11 N 1.30 3.12 -0.84 3.18 3.76 -1.26 -4.94 115.29 119.61 2cri s HIS 11 Ca -0.02 -0.54 0.09 0.00 -0.15 0.00 0.00 55.06 54.45 2cri s HIS 11 Cb -0.20 -2.28 0.25 0.00 1.11 0.00 0.00 32.58 31.46 2cri s HIS 11 CO -0.00 -0.42 1.18 0.39 -0.85 0.00 0.00 174.74 175.05 2cri n GLU 12 N 4.93 2.66 -4.09 1.40 -0.58 -1.26 -4.99 120.64 118.71 2cri n GLU 12 Ca -0.15 -1.90 -0.14 0.00 -0.42 0.00 0.00 57.16 54.55 2cri n GLU 12 Cb 0.50 -1.23 -0.12 0.00 -0.57 0.00 0.00 31.44 30.02 2cri n GLU 12 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 2cri s GLN 13 N -0.98 0.55 0.19 3.49 0.00 -1.26 -4.08 119.66 117.56 2cri s GLN 13 Ca 0.19 -0.70 0.08 0.00 -0.00 0.00 0.00 55.36 54.93 2cri s GLN 13 Cb 0.10 -0.37 0.04 0.00 0.00 0.00 0.00 33.01 32.79 2cri s GLN 13 CO 0.14 0.07 1.42 0.97 0.00 0.00 0.00 175.29 177.89 2cri h ILE 14 N 4.55 1.58 -3.38 3.63 6.09 -1.94 -3.44 117.51 124.60 2cri h ILE 14 Ca -0.35 -2.80 -0.55 0.00 -1.37 0.00 0.00 64.86 59.78 2cri h ILE 14 Cb 1.20 2.52 -0.04 0.00 0.47 0.00 0.00 36.82 40.97 2cri h ILE 14 CO 0.42 0.80 0.17 -0.76 -3.07 0.00 0.00 178.15 175.71 2cri s LEU 15 N -7.17 4.34 -0.71 2.19 1.43 -1.26 -4.24 118.68 113.26 2cri s LEU 15 Ca -0.00 1.34 -0.24 0.00 -1.03 0.00 0.00 54.13 54.19 2cri s LEU 15 Cb 0.11 -3.23 0.05 0.00 0.03 0.00 0.00 46.19 43.16 2cri s LEU 15 CO 0.80 -0.15 1.11 -0.69 0.23 0.00 0.00 176.35 177.65 2cri s VAL 16 N 0.80 4.07 0.80 -1.59 1.01 -0.51 -4.91 120.40 120.06 2cri s VAL 16 Ca 0.42 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.20 2cri s VAL 16 Cb -0.19 -4.79 0.07 0.00 0.00 0.00 0.00 36.38 31.47 2cri s VAL 16 CO 0.21 -1.64 1.12 -0.76 0.00 0.00 0.00 175.10 174.03 2cri s LEU 17 N 4.74 3.05 -0.22 3.92 1.02 -1.26 -1.77 118.68 128.15 2cri s LEU 17 Ca 0.28 2.00 -0.07 0.00 0.02 0.00 0.00 54.13 56.36 2cri s LEU 17 Cb -0.13 -4.54 0.11 0.00 0.02 0.00 0.00 46.19 41.65 2cri s LEU 17 CO 0.11 -2.31 0.45 -0.62 0.02 0.00 0.00 176.35 174.00 2cri s ASP 18 N -2.97 -0.37 0.25 2.29 -1.08 -0.25 -2.39 116.67 112.16 2cri s ASP 18 Ca 0.65 0.98 -0.30 0.00 -0.52 0.00 0.00 52.55 53.36 2cri s ASP 18 Cb -0.20 1.49 -0.09 0.00 -1.46 0.00 0.00 42.92 42.65 2cri s ASP 18 CO 0.54 -0.24 1.26 -2.16 0.52 0.00 0.00 175.17 175.09 2cri s PRO 19 N 2.66 4.43 0.37 4.34 0.04 -1.26 -1.86 135.00 143.71 2cri s PRO 19 Ca 0.00 2.05 0.16 0.00 0.04 0.00 0.00 61.00 63.25 2cri s PRO 19 Cb -0.13 -3.16 0.71 0.00 0.04 0.00 0.00 34.50 31.97 2cri s PRO 19 CO -0.14 -0.14 1.78 -1.00 0.04 0.00 0.00 177.00 177.54 2cri h PRO 20 N 4.47 0.00 0.00 0.56 0.13 -1.85 -3.36 132.00 131.95 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 0.72 0.40 0.00 -1.13 -0.23 0.00 0.00 178.00 177.75 2cri n SER 21 N -3.79 0.00 -3.88 1.44 3.41 -1.26 -4.95 113.62 104.58 2cri n SER 21 Ca -0.01 0.26 -0.11 0.00 -0.26 0.00 0.00 58.87 58.75 2cri n SER 21 Cb 0.47 -0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 64.05 2cri n SER 21 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2cri s ASP 22 N -2.08 0.05 -0.44 4.04 1.01 -1.26 -4.30 116.67 113.68 2cri s ASP 22 Ca 0.00 -0.22 -0.19 0.00 0.71 0.00 0.00 52.55 52.85 2cri s ASP 22 Cb 0.00 0.20 0.03 0.00 1.01 0.00 0.00 42.92 44.15 2cri s ASP 22 CO 0.00 -0.34 0.57 -0.22 0.21 0.00 0.00 175.17 175.38 2cri s LEU 23 N -1.31 4.69 0.32 1.23 2.96 -0.84 -4.56 118.68 121.17 2cri s LEU 23 Ca -0.14 -0.53 -0.13 0.00 -0.22 0.00 0.00 54.13 53.11 2cri s LEU 23 Cb -0.08 -2.57 -0.08 0.00 0.50 0.00 0.00 46.19 43.96 2cri s LEU 23 CO 0.01 -0.72 0.71 -0.54 -1.32 0.00 0.00 176.35 174.49 2cri s LYS 24 N 2.55 3.92 -0.21 1.98 1.02 -1.26 0.02 119.74 127.76 2cri s LYS 24 Ca 0.18 0.56 0.01 0.00 0.02 0.00 0.00 55.97 56.73 2cri s LYS 24 Cb -0.16 -2.46 0.05 0.00 -0.52 0.00 0.00 37.83 34.74 2cri s LYS 24 CO 0.16 0.15 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.59 2cri s PHE 25 N -2.03 2.47 -0.34 3.18 0.40 0.73 -4.89 117.98 117.49 2cri s PHE 25 Ca 0.52 -1.68 -0.29 0.00 -0.60 0.00 0.00 56.93 54.88 2cri s PHE 25 Cb -0.10 -1.64 0.01 0.00 0.51 0.00 0.00 43.02 41.79 2cri s PHE 25 CO 0.21 -0.76 1.24 0.21 0.70 0.00 0.00 175.22 176.82 2cri s LYS 26 N 1.38 3.89 0.00 0.44 2.36 -1.26 -1.87 119.74 124.67 2cri s LYS 26 Ca -0.03 1.09 0.00 0.00 -2.55 0.00 0.00 55.97 54.48 2cri s LYS 26 Cb -0.17 -3.87 0.00 0.00 -1.05 0.00 0.00 37.83 32.74 2cri s LYS 26 CO -0.07 -1.15 0.00 0.41 1.55 0.00 0.00 175.35 176.09 2cri n GLY 27 N 4.36 -3.31 3.74 5.54 0.00 -0.66 -4.85 105.19 110.01 2cri n GLY 27 Ca 0.14 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 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 1.71 0.08 1.61 0.04 -1.26 -4.63 135.00 132.55 2cri s PRO 28 Ca 0.00 0.98 0.25 0.00 0.04 0.00 0.00 61.00 62.27 2cri s PRO 28 Cb 0.00 -1.85 0.52 0.00 0.04 0.00 0.00 34.50 33.21 2cri s PRO 28 CO 0.00 -1.97 1.45 1.19 0.04 0.00 0.00 177.00 177.71 2cri n PHE 29 N -3.72 0.37 0.19 0.56 3.72 -1.26 -3.86 117.46 113.46 2cri n PHE 29 Ca 0.08 0.11 0.11 0.00 -0.05 0.00 0.00 57.45 57.70 2cri n PHE 29 Cb 0.54 -0.55 0.65 0.00 -0.94 0.00 0.00 39.48 39.19 2cri n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2cri h THR 30 N 0.00 0.93 -1.87 4.37 1.03 -1.96 -3.29 112.91 112.12 2cri h THR 30 Ca 0.00 0.00 -0.61 0.00 -0.01 0.00 0.00 66.41 65.79 2cri h THR 30 Cb 0.65 0.93 -0.13 0.00 -1.07 0.00 0.00 68.15 68.53 2cri h THR 30 CO 0.00 0.00 -0.62 -0.62 -0.01 0.00 0.00 175.52 174.27 2cri s ASP 31 N -6.85 3.66 0.01 0.00 2.15 -1.25 -4.83 116.67 109.56 2cri s ASP 31 Ca -0.05 -1.32 -0.30 0.00 0.43 0.00 0.00 52.55 51.31 2cri s ASP 31 Cb 0.18 -0.35 -0.07 0.00 -0.30 0.00 0.00 42.92 42.38 2cri s ASP 31 CO 0.69 -0.40 1.64 0.54 -0.17 0.00 0.00 175.17 177.46 2cri s VAL 32 N -2.75 3.36 0.10 1.11 0.11 -1.26 -4.29 120.40 116.78 2cri s VAL 32 Ca 0.34 0.63 -0.05 0.00 -2.93 0.00 0.00 61.98 59.98 2cri s VAL 32 Cb 0.08 -3.41 -0.05 0.00 -1.53 0.00 0.00 36.38 31.47 2cri s VAL 32 CO 0.17 -0.03 0.34 -0.69 -3.33 0.00 0.00 175.10 171.56 2cri s VAL 33 N 3.30 5.21 -0.28 2.04 1.01 -0.35 -4.93 120.40 126.40 2cri s VAL 33 Ca 0.73 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.75 2cri s VAL 33 Cb -0.36 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.45 2cri s VAL 33 CO 0.31 0.13 -0.04 -0.89 0.00 0.00 0.00 175.10 174.61 2cri s THR 34 N -1.55 2.79 -0.11 3.92 2.01 -1.26 -0.47 115.64 120.97 2cri s THR 34 Ca 0.37 -1.34 -0.00 0.00 0.31 0.00 0.00 61.69 61.03 2cri s THR 34 Cb -0.13 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 2cri s THR 34 CO 0.23 -0.01 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.16 2cri s THR 35 N 1.24 3.41 -0.22 -0.82 2.01 0.20 -4.98 115.64 116.49 2cri s THR 35 Ca -0.05 -0.56 -0.06 0.00 0.31 0.00 0.00 61.69 61.34 2cri s THR 35 Cb -0.19 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.87 2cri s THR 35 CO -0.03 0.55 0.02 0.20 -0.69 0.00 0.00 174.62 174.67 2cri s ASN 36 N -0.14 4.91 -0.38 3.53 -0.87 -1.26 0.62 114.94 121.35 2cri s ASN 36 Ca 0.01 -0.21 -0.13 0.00 -1.57 0.00 0.00 52.86 50.96 2cri s ASN 36 Cb -0.13 -1.85 0.01 0.00 -0.02 0.00 0.00 41.25 39.26 2cri s ASN 36 CO 0.03 0.03 0.24 -0.22 -2.57 0.00 0.00 177.10 174.61 2cri s LEU 37 N 1.21 4.78 0.16 0.60 0.20 -0.77 -4.89 118.68 119.97 2cri s LEU 37 Ca 0.04 -0.82 -0.27 0.00 0.69 0.00 0.00 54.13 53.77 2cri s LEU 37 Cb -0.15 -2.09 -0.08 0.00 -0.43 0.00 0.00 46.19 43.45 2cri s LEU 37 CO 0.02 -0.37 0.85 -0.54 -0.29 0.00 0.00 176.35 176.02 2cri s LYS 38 N 1.64 4.66 -0.27 1.98 1.02 -0.78 -2.32 119.74 125.67 2cri s LYS 38 Ca 0.04 1.28 -0.01 0.00 0.02 0.00 0.00 55.97 57.31 2cri s LYS 38 Cb -0.19 -3.30 0.09 0.00 -0.52 0.00 0.00 37.83 33.91 2cri s LYS 38 CO 0.09 0.47 0.06 -0.51 -0.92 0.00 0.00 175.35 174.54 2cri s LEU 39 N -0.85 2.11 0.47 3.17 1.43 0.16 -1.09 118.68 124.08 2cri s LEU 39 Ca 0.39 -1.40 -0.07 0.00 -1.03 0.00 0.00 54.13 52.02 2cri s LEU 39 Cb -0.24 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 2cri s LEU 39 CO 0.28 -0.37 0.79 -1.58 0.23 0.00 0.00 176.35 175.71 2cri s GLN 40 N 1.62 3.60 -0.32 1.70 0.74 -0.73 -1.66 119.66 124.62 2cri s GLN 40 Ca 0.05 0.29 -0.01 0.00 0.05 0.00 0.00 55.36 55.75 2cri s GLN 40 Cb -0.17 -2.36 0.10 0.00 1.10 0.00 0.00 33.01 31.67 2cri s GLN 40 CO -0.18 -0.18 0.12 1.21 -0.55 0.00 0.00 175.29 175.70 2cri s ASN 41 N -3.87 3.90 0.51 6.67 2.47 -0.94 -1.43 114.94 122.25 2cri s ASN 41 Ca 0.49 -1.66 0.29 0.00 0.42 0.00 0.00 52.86 52.40 2cri s ASN 41 Cb -0.10 -0.78 1.23 0.00 -1.45 0.00 0.00 41.25 40.15 2cri s ASN 41 CO 0.42 -0.41 1.94 1.55 -3.72 0.00 0.00 177.10 176.89 2cri h PRO 42 N 8.02 0.00 0.00 0.43 0.13 -1.90 -3.02 132.00 135.66 2cri h PRO 42 Ca -0.13 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.60 2cri h PRO 42 Cb 1.01 0.00 0.19 0.00 0.13 0.00 0.00 31.00 32.33 2cri h PRO 42 CO 0.46 0.10 0.17 -1.13 -0.23 0.00 0.00 178.00 177.37 2cri n SER 43 N -3.28 -1.70 -0.73 1.44 3.41 -1.26 -4.85 113.62 106.65 2cri n SER 43 Ca -0.00 -1.21 0.06 0.00 -0.26 0.00 0.00 58.87 57.46 2cri n SER 43 Cb 0.34 -0.99 0.14 0.00 -0.26 0.00 0.00 64.21 63.44 2cri n SER 43 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2cri n ASP 44 N -4.67 1.52 -3.79 4.04 9.92 -1.26 -3.21 116.55 119.09 2cri n ASP 44 Ca 0.15 -3.19 -0.13 0.00 -0.53 0.00 0.00 54.79 51.09 2cri n ASP 44 Cb 0.58 -0.44 -0.14 0.00 -0.64 0.00 0.00 41.12 40.48 2cri n ASP 44 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cri s ARG 45 N -2.17 0.10 0.10 -1.24 1.70 -1.26 -4.84 118.95 111.35 2cri s ARG 45 Ca 0.33 0.25 -0.33 0.00 -0.47 0.00 0.00 55.73 55.51 2cri s ARG 45 Cb 0.34 -0.06 -0.18 0.00 -0.57 0.00 0.00 34.95 34.47 2cri s ARG 45 CO -0.07 -0.09 0.77 1.63 -1.08 0.00 0.00 175.30 176.46 2cri n LYS 46 N 3.60 0.00 -3.93 3.89 5.02 -1.26 -4.66 118.16 120.81 2cri n LYS 46 Ca -0.19 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.86 2cri n LYS 46 Cb 0.55 -1.23 -0.17 0.00 -0.02 0.00 0.00 35.03 34.17 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 -0.52 0.71 0.06 -0.18 1.01 -1.24 -0.29 120.40 119.95 2cri s VAL 47 Ca 0.76 -0.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.34 2cri s VAL 47 Cb -1.08 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 2cri s VAL 47 CO 0.56 0.31 0.91 0.00 0.00 0.00 0.00 175.10 176.88 2cri s PHE 49 N 0.25 1.20 0.01 0.00 -0.71 -0.80 -0.82 117.98 117.10 2cri s PHE 49 Ca 0.46 -0.41 0.04 0.00 -1.04 0.00 0.00 56.93 55.97 2cri s PHE 49 Cb -0.22 -0.69 -0.01 0.00 -1.21 0.00 0.00 43.02 40.88 2cri s PHE 49 CO 0.27 0.04 -0.12 0.15 -1.34 0.00 0.00 175.22 174.23 2cri s LYS 50 N -1.47 0.91 -0.23 1.99 1.02 -0.08 -2.73 119.74 119.16 2cri s LYS 50 Ca -0.01 -0.52 -0.07 0.00 0.02 0.00 0.00 55.97 55.39 2cri s LYS 50 Cb -0.09 -0.88 -0.03 0.00 -0.52 0.00 0.00 37.83 36.30 2cri s LYS 50 CO 0.02 0.23 0.07 0.08 -0.92 0.00 0.00 175.35 174.83 2cri s VAL 51 N -0.48 4.49 -0.06 3.17 1.01 -0.94 -1.86 120.40 125.73 2cri s VAL 51 Ca 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 2cri s VAL 51 Cb -0.06 -3.08 0.04 0.00 0.00 0.00 0.00 36.38 33.29 2cri s VAL 51 CO 0.00 0.37 0.13 -0.54 0.00 0.00 0.00 175.10 175.07 2cri s LYS 52 N 1.24 0.08 0.11 2.72 1.02 -0.84 -4.93 119.74 119.14 2cri s LYS 52 Ca 0.05 0.35 -0.02 0.00 0.02 0.00 0.00 55.97 56.37 2cri s LYS 52 Cb -0.14 -0.18 -0.04 0.00 -0.52 0.00 0.00 37.83 36.95 2cri s LYS 52 CO 0.04 -0.16 0.06 -0.08 -0.92 0.00 0.00 175.35 174.29 2cri s THR 53 N 1.13 0.13 -1.37 2.17 -1.32 -1.26 -1.05 115.64 114.07 2cri s THR 53 Ca -0.09 -1.80 0.15 0.00 -1.21 0.00 0.00 61.69 58.74 2cri s THR 53 Cb -0.11 -1.87 0.25 0.00 -1.51 0.00 0.00 72.50 69.26 2cri s THR 53 CO -0.06 -0.59 1.44 0.35 -2.21 0.00 0.00 174.62 173.56 2cri n THR 54 N -0.05 0.62 -3.76 5.08 -2.24 -1.20 -4.02 114.28 108.71 2cri n THR 54 Ca -0.08 0.16 -0.33 0.00 -2.27 0.00 0.00 64.05 61.53 2cri n THR 54 Cb 0.63 -0.90 -0.09 0.00 -2.10 0.00 0.00 70.33 67.86 2cri n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cri s ALA 55 N -2.63 3.97 0.27 6.98 0.00 -1.26 -4.90 121.76 124.19 2cri s ALA 55 Ca 0.13 -3.75 0.05 0.00 0.00 0.00 0.00 51.96 48.39 2cri s ALA 55 Cb 0.10 -2.53 0.38 0.00 0.00 0.00 0.00 23.12 21.08 2cri s ALA 55 CO 0.24 -2.12 1.66 -1.00 0.00 0.00 0.00 175.76 174.54 2cri h PRO 56 N 5.91 0.27 0.00 0.00 0.13 -1.78 -2.09 132.00 134.44 2cri h PRO 56 Ca 0.12 -0.14 -0.18 0.00 -0.87 0.00 0.00 66.00 64.93 2cri h PRO 56 Cb 0.81 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.92 2cri h PRO 56 CO 0.78 0.68 -1.39 0.54 -0.23 0.00 0.00 178.00 178.37 2cri n ARG 57 N -3.99 0.54 -0.12 0.86 3.00 -1.26 -4.52 116.66 111.16 2cri n ARG 57 Ca -0.02 0.37 -0.04 0.00 -0.01 0.00 0.00 57.85 58.15 2cri n ARG 57 Cb 0.52 -1.57 0.03 0.00 0.00 0.00 0.00 32.46 31.44 2cri n ARG 57 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2cri h ARG 58 N -1.00 0.10 -5.21 5.56 9.65 -1.96 -3.39 114.38 118.13 2cri h ARG 58 Ca -0.27 -0.01 -0.61 0.00 -1.10 0.00 0.00 59.98 57.99 2cri h ARG 58 Cb 1.13 -0.02 -0.13 0.00 -1.39 0.00 0.00 29.97 29.56 2cri h ARG 58 CO -0.16 0.07 -0.46 0.71 2.80 0.00 0.00 179.97 182.92 2cri s TYR 59 N -6.18 3.36 -0.32 2.20 1.51 -0.79 -1.93 117.35 115.21 2cri s TYR 59 Ca -0.13 0.32 0.03 0.00 -1.01 0.00 0.00 57.07 56.28 2cri s TYR 59 Cb 0.14 -2.26 0.09 0.00 -0.11 0.00 0.00 41.96 39.83 2cri s TYR 59 CO 0.71 0.15 0.03 0.00 -1.11 0.00 0.00 175.55 175.33 2cri s VAL 61 N 1.04 5.22 -0.11 0.00 1.01 -1.26 -0.33 120.40 125.97 2cri s VAL 61 Ca 0.07 0.84 -0.04 0.00 0.00 0.00 0.00 61.98 62.85 2cri s VAL 61 Cb -0.19 -3.76 0.06 0.00 0.00 0.00 0.00 36.38 32.48 2cri s VAL 61 CO -0.10 0.34 0.23 -0.60 0.00 0.00 0.00 175.10 174.97 2cri s ARG 62 N 0.63 0.13 0.71 2.72 3.52 -0.27 -3.08 118.95 123.31 2cri s ARG 62 Ca 0.23 0.65 -0.13 0.00 -0.13 0.00 0.00 55.73 56.35 2cri s ARG 62 Cb -0.14 -0.11 0.02 0.00 -1.56 0.00 0.00 34.95 33.16 2cri s ARG 62 CO 0.08 -0.26 1.10 -1.25 -0.81 0.00 0.00 175.30 174.17 2cri s PRO 63 N 2.09 2.56 0.00 5.12 0.04 -1.26 -0.25 135.00 143.30 2cri s PRO 63 Ca -0.01 1.30 0.27 0.00 0.04 0.00 0.00 61.00 62.60 2cri s PRO 63 Cb -0.12 -1.93 0.96 0.00 0.04 0.00 0.00 34.50 33.45 2cri s PRO 63 CO -0.08 -1.42 1.69 0.27 0.04 0.00 0.00 177.00 177.50 2cri n ASN 64 N -2.89 0.75 -3.61 6.66 0.23 -1.18 -4.86 115.26 110.37 2cri n ASN 64 Ca 0.10 -0.71 -0.08 0.00 -0.53 0.00 0.00 54.58 53.37 2cri n ASN 64 Cb 0.52 0.04 -0.05 0.00 -2.08 0.00 0.00 39.78 38.21 2cri n ASN 64 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2cri s SER 65 N -2.52 -0.27 0.00 0.53 1.04 -1.26 -2.21 113.70 109.01 2cri s SER 65 Ca 0.26 0.36 0.00 0.00 0.48 0.00 0.00 55.95 57.05 2cri s SER 65 Cb 0.19 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2cri s SER 65 CO 0.51 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.13 2cri n GLY 66 N 0.99 -1.31 3.35 7.32 0.00 -1.11 -5.06 105.19 109.39 2cri n GLY 66 Ca -0.08 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.47 2.54 -0.32 -0.61 1.01 -1.26 -1.91 121.20 118.17 2cri s ILE 67 Ca 0.00 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.63 2cri s ILE 67 Cb 0.00 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 2cri s ILE 67 CO 0.00 0.57 0.23 -0.63 0.00 0.00 0.00 174.94 175.11 2cri s ILE 68 N -0.26 5.29 0.47 2.92 1.01 -1.06 -4.96 121.20 124.61 2cri s ILE 68 Ca 0.00 -0.06 -0.22 0.00 0.00 0.00 0.00 60.65 60.38 2cri s ILE 68 Cb -0.13 -3.66 -0.10 0.00 0.01 0.00 0.00 42.46 38.58 2cri s ILE 68 CO 0.03 0.08 0.75 0.47 0.00 0.00 0.00 174.94 176.26 2cri n ASP 69 N 5.11 -0.01 -4.60 3.58 9.92 -1.26 -3.63 116.55 125.66 2cri n ASP 69 Ca -0.13 0.90 -0.43 0.00 -0.53 0.00 0.00 54.79 54.60 2cri n ASP 69 Cb 0.50 -1.24 -0.03 0.00 -0.64 0.00 0.00 41.12 39.72 2cri n ASP 69 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2cri s PRO 70 N -1.97 3.41 0.00 -0.24 0.04 -1.26 -3.18 135.00 131.79 2cri s PRO 70 Ca 0.66 1.31 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2cri s PRO 70 Cb -0.53 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 29.86 2cri s PRO 70 CO 0.55 -1.77 0.00 0.41 0.04 0.00 0.00 177.00 176.23 2cri n GLY 71 N 5.33 0.80 2.55 0.56 0.00 -1.14 -4.87 105.19 108.43 2cri n GLY 71 Ca 0.21 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 0.21 -1.33 -4.06 1.61 7.64 -1.19 -5.02 113.62 111.48 2cri n SER 72 Ca 0.00 -2.24 -0.21 0.00 1.01 0.00 0.00 58.87 57.44 2cri n SER 72 Cb 0.18 2.31 -0.15 0.00 -1.01 0.00 0.00 64.21 65.54 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 -2.52 0.91 -0.06 0.44 1.01 -1.26 -2.21 121.20 117.51 2cri s ILE 73 Ca 0.16 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.35 2cri s ILE 73 Cb -0.02 -0.77 -0.03 0.00 0.01 0.00 0.00 42.46 41.65 2cri s ILE 73 CO 0.11 0.26 -0.13 -0.69 0.00 0.00 0.00 174.94 174.50 2cri s VAL 74 N -0.24 3.17 -0.37 2.92 1.01 -0.66 -4.93 120.40 121.31 2cri s VAL 74 Ca 0.04 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 2cri s VAL 74 Cb -0.05 -2.26 0.10 0.00 0.00 0.00 0.00 36.38 34.17 2cri s VAL 74 CO -0.00 0.59 0.12 -0.89 0.00 0.00 0.00 175.10 174.91 2cri s THR 75 N -0.69 2.89 0.04 3.92 2.01 -1.26 -0.66 115.64 121.88 2cri s THR 75 Ca 0.11 -2.05 -0.21 0.00 0.31 0.00 0.00 61.69 59.85 2cri s THR 75 Cb -0.11 -2.97 -0.06 0.00 0.01 0.00 0.00 72.50 69.37 2cri s THR 75 CO 0.01 -0.56 0.61 -0.69 -0.69 0.00 0.00 174.62 173.30 2cri s VAL 76 N 1.08 4.78 -0.53 3.82 1.01 -0.98 -4.92 120.40 124.67 2cri s VAL 76 Ca 0.07 1.30 -0.24 0.00 0.00 0.00 0.00 61.98 63.11 2cri s VAL 76 Cb -0.21 -3.95 0.04 0.00 0.00 0.00 0.00 36.38 32.26 2cri s VAL 76 CO -0.05 0.48 0.92 -0.44 0.00 0.00 0.00 175.10 176.01 2cri s SER 77 N -0.62 6.37 -0.51 3.32 0.01 0.66 -1.85 113.70 121.08 2cri s SER 77 Ca 0.31 -0.27 -0.15 0.00 1.31 0.00 0.00 55.95 57.15 2cri s SER 77 Cb -0.19 -2.43 0.11 0.00 0.21 0.00 0.00 66.02 63.71 2cri s SER 77 CO 0.19 -1.17 0.45 -0.69 0.41 0.00 0.00 173.24 172.43 2cri s VAL 78 N 3.86 5.12 0.07 3.43 1.01 0.20 -1.11 120.40 132.98 2cri s VAL 78 Ca 0.31 -1.38 -0.27 0.00 0.00 0.00 0.00 61.98 60.65 2cri s VAL 78 Cb -0.12 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 31.99 2cri s VAL 78 CO 0.21 -0.76 0.83 -0.04 0.00 0.00 0.00 175.10 175.33 2cri s MET 79 N 1.59 4.56 -0.23 2.72 -1.94 0.55 -0.63 119.30 125.93 2cri s MET 79 Ca 0.03 1.19 0.01 0.00 -1.71 0.00 0.00 55.69 55.22 2cri s MET 79 Cb -0.28 -3.36 0.04 0.00 2.01 0.00 0.00 34.83 33.24 2cri s MET 79 CO 0.04 0.27 -0.12 -1.17 -0.01 0.00 0.00 175.02 174.03 2cri s LEU 80 N -0.08 3.01 0.36 -0.03 1.98 0.38 -0.87 118.68 123.41 2cri s LEU 80 Ca 0.41 -1.06 -0.27 0.00 -2.89 0.00 0.00 54.13 50.32 2cri s LEU 80 Cb -0.21 -1.56 -0.09 0.00 0.66 0.00 0.00 46.19 44.99 2cri s LEU 80 CO 0.25 -0.12 1.24 -1.10 -1.89 0.00 0.00 176.35 174.73 2cri s GLN 81 N 1.21 4.24 -0.06 1.98 1.11 -0.81 -1.21 119.66 126.12 2cri s GLN 81 Ca -0.03 2.04 -0.30 0.00 0.01 0.00 0.00 55.36 57.08 2cri s GLN 81 Cb -0.17 -2.92 -0.05 0.00 -1.01 0.00 0.00 33.01 28.86 2cri s GLN 81 CO -0.07 -0.22 1.50 -1.25 0.01 0.00 0.00 175.29 175.26 2cri s PRO 82 N -1.96 4.22 0.26 2.91 0.04 -1.26 -4.87 135.00 134.34 2cri s PRO 82 Ca 0.52 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.60 2cri s PRO 82 Cb -0.36 -3.82 -0.03 0.00 0.04 0.00 0.00 34.50 30.33 2cri s PRO 82 CO 0.46 -0.75 0.21 -0.59 0.04 0.00 0.00 177.00 176.38 2cri s PHE 83 N 3.47 1.40 -0.58 0.56 -0.12 -1.24 -4.99 117.98 116.49 2cri s PHE 83 Ca 0.67 -1.49 -0.27 0.00 -0.05 0.00 0.00 56.93 55.79 2cri s PHE 83 Cb -0.30 -0.60 -0.01 0.00 -0.63 0.00 0.00 43.02 41.48 2cri s PHE 83 CO 0.25 -0.76 1.71 -0.51 -0.05 0.00 0.00 175.22 175.87 2cri s ASP 84 N -3.25 5.60 0.26 1.98 1.01 -1.26 -4.79 116.67 116.21 2cri s ASP 84 Ca 0.39 0.38 -0.30 0.00 0.71 0.00 0.00 52.55 53.74 2cri s ASP 84 Cb 0.05 -2.53 -0.10 0.00 1.01 0.00 0.00 42.92 41.34 2cri s ASP 84 CO 0.19 -2.11 1.36 -0.47 0.21 0.00 0.00 175.17 174.35 2cri s TYR 85 N 7.90 3.11 -0.58 4.23 5.04 -1.26 -4.98 117.35 130.80 2cri s TYR 85 Ca 0.63 1.19 -0.14 0.00 -2.44 0.00 0.00 57.07 56.31 2cri s TYR 85 Cb -0.13 -3.71 0.15 0.00 0.35 0.00 0.00 41.96 38.61 2cri s TYR 85 CO 0.23 -2.19 0.52 0.34 -1.34 0.00 0.00 175.55 173.11 2cri s ASP 86 N 0.12 6.19 0.25 4.32 -1.08 -1.26 -4.91 116.67 120.30 2cri s ASP 86 Ca 0.56 -2.00 0.03 0.00 -0.52 0.00 0.00 52.55 50.61 2cri s ASP 86 Cb -0.40 -2.17 0.31 0.00 -1.46 0.00 0.00 42.92 39.20 2cri s ASP 86 CO 0.44 -0.77 1.62 1.55 0.52 0.00 0.00 175.17 178.53 2cri h PRO 87 N 8.58 0.38 -0.01 4.34 0.13 -2.00 -2.96 132.00 140.46 2cri h PRO 87 Ca -0.21 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2cri h PRO 87 Cb 1.08 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 2cri h PRO 87 CO 0.95 0.76 0.01 -0.97 -0.23 0.00 0.00 178.00 178.52 2cri h ASN 88 N 0.31 0.00 -2.98 1.44 -1.24 -2.04 -3.42 115.58 107.66 2cri h ASN 88 Ca 0.02 0.00 -0.61 0.00 0.71 0.00 0.00 56.30 56.42 2cri h ASN 88 Cb 0.91 0.00 -0.11 0.00 0.73 0.00 0.00 38.32 39.86 2cri h ASN 88 CO 0.08 0.00 -0.64 -0.70 -1.29 0.00 0.00 177.43 174.88 2cri s GLU 89 N -5.02 2.55 -0.02 6.67 2.12 -1.12 -5.05 118.70 118.83 2cri s GLU 89 Ca -0.05 -0.98 -0.04 0.00 0.36 0.00 0.00 54.97 54.26 2cri s GLU 89 Cb 0.17 -2.47 -0.02 0.00 0.26 0.00 0.00 34.13 32.07 2cri s GLU 89 CO 0.66 0.49 -0.08 1.17 -0.54 0.00 0.00 175.26 176.95 2cri n LYS 90 N 0.03 0.13 -3.26 4.30 4.81 -1.26 -4.84 118.16 118.08 2cri n LYS 90 Ca -0.10 0.06 -0.45 0.00 -0.87 0.00 0.00 58.31 56.95 2cri n LYS 90 Cb 0.54 -0.73 -0.06 0.00 0.02 0.00 0.00 35.03 34.80 2cri n LYS 90 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2cri s SER 91 N -5.79 6.18 0.12 3.14 0.15 -1.26 -4.78 113.70 111.46 2cri s SER 91 Ca -0.08 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.26 2cri s SER 91 Cb 0.02 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 2cri s SER 91 CO 0.11 -0.83 0.00 1.17 1.20 0.00 0.00 173.24 174.89 2cri n LYS 92 N 5.68 0.00 -2.25 5.44 3.00 -1.26 -5.09 118.16 123.67 2cri n LYS 92 Ca -0.11 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.88 2cri n LYS 92 Cb 0.43 -0.22 -0.02 0.00 0.00 0.00 0.00 35.03 35.22 2cri n LYS 92 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2cri s HIS 93 N -2.00 3.43 0.02 5.64 3.76 -1.26 -5.08 115.29 119.80 2cri s HIS 93 Ca 0.00 1.44 0.02 0.00 -0.15 0.00 0.00 55.06 56.37 2cri s HIS 93 Cb 0.00 -2.80 -0.02 0.00 1.11 0.00 0.00 32.58 30.87 2cri s HIS 93 CO 0.00 -0.52 -0.06 0.21 -0.85 0.00 0.00 174.74 173.52 2cri s LYS 94 N -4.29 0.42 -0.06 1.40 2.20 -1.26 -4.34 119.74 113.82 2cri s LYS 94 Ca 0.59 -0.49 0.04 0.00 -0.36 0.00 0.00 55.97 55.75 2cri s LYS 94 Cb -0.11 -0.26 -0.00 0.00 -1.51 0.00 0.00 37.83 35.95 2cri s LYS 94 CO 0.36 0.05 -0.19 0.12 -0.36 0.00 0.00 175.35 175.34 2cri s PHE 95 N -0.87 1.92 -0.17 4.03 5.36 -0.12 -3.22 117.98 124.91 2cri s PHE 95 Ca -0.06 -0.62 -0.01 0.00 -0.96 0.00 0.00 56.93 55.28 2cri s PHE 95 Cb -0.07 -1.30 0.04 0.00 -0.34 0.00 0.00 43.02 41.36 2cri s PHE 95 CO 0.00 -0.23 -0.04 -1.64 -1.46 0.00 0.00 175.22 171.85 2cri s MET 96 N 0.15 1.37 -0.19 10.12 -1.94 -0.22 -2.32 119.30 126.26 2cri s MET 96 Ca -0.08 -0.53 -0.03 0.00 -1.71 0.00 0.00 55.69 53.35 2cri s MET 96 Cb -0.14 -2.03 -0.01 0.00 2.01 0.00 0.00 34.83 34.66 2cri s MET 96 CO 0.04 -0.46 -0.07 0.08 -0.01 0.00 0.00 175.02 174.60 2cri s VAL 97 N 1.64 3.31 -0.07 -6.03 1.01 -1.15 -1.99 120.40 117.13 2cri s VAL 97 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 2cri s VAL 97 Cb -0.16 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2cri s VAL 97 CO -0.08 0.46 0.12 -1.58 0.00 0.00 0.00 175.10 174.02 2cri s GLN 98 N 1.12 3.32 -0.03 2.72 0.74 -0.78 -0.75 119.66 125.99 2cri s GLN 98 Ca 0.01 -0.26 -0.04 0.00 0.05 0.00 0.00 55.36 55.12 2cri s GLN 98 Cb -0.15 -3.06 0.01 0.00 1.10 0.00 0.00 33.01 30.91 2cri s GLN 98 CO -0.01 0.73 0.10 0.95 -0.55 0.00 0.00 175.29 176.50 2cri s THR 99 N -1.10 0.01 -0.08 -0.34 -4.23 -0.40 -0.90 115.64 108.60 2cri s THR 99 Ca 0.19 -0.12 -0.20 0.00 -1.18 0.00 0.00 61.69 60.37 2cri s THR 99 Cb -0.12 -0.19 0.05 0.00 1.34 0.00 0.00 72.50 73.58 2cri s THR 99 CO 0.09 -0.07 0.48 -0.51 -0.54 0.00 0.00 174.62 174.07 2cri s ILE 100 N -0.18 0.02 0.28 2.99 2.07 -0.00 -2.06 121.20 124.32 2cri s ILE 100 Ca -0.02 -0.18 -0.30 0.00 -1.41 0.00 0.00 60.65 58.74 2cri s ILE 100 Cb -0.02 -0.75 -0.10 0.00 0.13 0.00 0.00 42.46 41.71 2cri s ILE 100 CO 0.00 -0.10 1.47 -0.36 -1.91 0.00 0.00 174.94 174.04 2cri s PHE 101 N -0.74 2.92 -0.10 3.50 0.08 -1.26 -0.29 117.98 122.08 2cri s PHE 101 Ca -0.08 1.02 -0.09 0.00 0.12 0.00 0.00 56.93 57.90 2cri s PHE 101 Cb -0.03 -3.88 -0.04 0.00 -0.57 0.00 0.00 43.02 38.49 2cri s PHE 101 CO 0.05 -2.82 0.20 0.00 -0.10 0.00 0.00 175.22 172.55 2cri s ALA 102 N -0.23 3.81 0.82 5.36 0.00 0.61 -4.72 121.76 127.41 2cri s ALA 102 Ca 0.58 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.89 2cri s ALA 102 Cb -0.43 -2.10 0.08 0.00 0.00 0.00 0.00 23.12 20.67 2cri s ALA 102 CO 0.47 0.52 1.09 -1.25 0.00 0.00 0.00 175.76 176.59 2cri s PRO 103 N -0.83 1.88 0.46 0.00 0.04 -1.26 -4.56 135.00 130.73 2cri s PRO 103 Ca 0.16 1.04 0.25 0.00 0.04 0.00 0.00 61.00 62.49 2cri s PRO 103 Cb -0.13 -1.86 1.07 0.00 0.04 0.00 0.00 34.50 33.62 2cri s PRO 103 CO 0.05 -1.87 1.89 -1.00 0.04 0.00 0.00 177.00 176.12 2cri h PRO 104 N -1.29 0.00 -1.58 0.56 0.13 -1.98 -3.17 132.00 124.67 2cri h PRO 104 Ca -0.46 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.05 2cri h PRO 104 Cb 1.25 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.99 2cri h PRO 104 CO 0.52 0.20 -0.35 0.09 -0.23 0.00 0.00 178.00 178.23 2cri n ASN 105 N -3.44 5.33 -4.60 1.44 3.02 -1.26 -5.02 115.26 110.74 2cri n ASN 105 Ca -0.00 -3.75 -0.43 0.00 -0.03 0.00 0.00 54.58 50.37 2cri n ASN 105 Cb 0.38 -0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 38.94 2cri n ASN 105 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2cri s ILE 106 N -5.40 4.04 -0.07 2.41 2.07 -1.20 -4.87 121.20 118.19 2cri s ILE 106 Ca 0.49 1.04 -0.08 0.00 -1.41 0.00 0.00 60.65 60.70 2cri s ILE 106 Cb 0.41 -4.46 -0.03 0.00 0.13 0.00 0.00 42.46 38.52 2cri s ILE 106 CO -0.22 -0.96 -0.15 -1.20 -1.91 0.00 0.00 174.94 170.49 2cri n SER 107 N 8.40 0.88 -4.54 4.50 7.64 -1.26 -4.91 113.62 124.34 2cri n SER 107 Ca 0.13 0.15 -0.43 0.00 1.01 0.00 0.00 58.87 59.73 2cri n SER 107 Cb 0.49 -0.56 -0.05 0.00 -1.01 0.00 0.00 64.21 63.07 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 -4.97 6.40 0.07 6.43 1.01 -1.26 -4.94 116.67 119.40 2cri s ASP 108 Ca -0.12 -0.17 -0.34 0.00 0.71 0.00 0.00 52.55 52.63 2cri s ASP 108 Cb 0.02 -2.40 -0.19 0.00 1.01 0.00 0.00 42.92 41.36 2cri s ASP 108 CO 0.18 -0.99 1.61 -0.03 0.21 0.00 0.00 175.17 176.15 2cri h MET 109 N 9.06 -0.96 -0.28 8.23 1.85 -2.01 -2.08 114.93 128.74 2cri h MET 109 Ca -0.25 0.07 0.06 0.00 -0.61 0.00 0.00 59.70 58.97 2cri h MET 109 Cb 1.08 0.22 -0.06 0.00 0.43 0.00 0.00 31.60 33.27 2cri h MET 109 CO 0.99 -0.64 -0.15 1.05 -0.40 0.00 0.00 176.91 177.76 2cri h GLU 110 N -1.00 -0.11 -0.59 0.39 -0.00 -2.00 -1.95 114.58 109.31 2cri h GLU 110 Ca -0.10 0.01 0.12 0.00 -0.00 0.00 0.00 59.36 59.39 2cri h GLU 110 Cb 0.77 0.02 -0.11 0.00 -0.00 0.00 0.00 28.75 29.44 2cri h GLU 110 CO 0.16 -0.07 -0.07 0.00 -0.00 0.00 0.00 179.01 179.03 2cri h ALA 111 N 1.10 0.50 -0.14 1.06 0.00 -1.96 -0.40 119.26 119.42 2cri h ALA 111 Ca 0.15 0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.31 2cri h ALA 111 Cb 0.34 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 2cri h ALA 111 CO -0.35 -0.41 -0.41 0.28 0.00 0.00 0.00 179.25 178.35 2cri h VAL 112 N 0.06 0.15 -1.01 0.00 2.07 -0.63 0.11 116.25 117.00 2cri h VAL 112 Ca 0.30 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.88 2cri h VAL 112 Cb 0.48 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 2cri h VAL 112 CO -0.56 0.00 0.65 -0.50 0.02 0.00 0.00 177.57 177.18 2cri h TRP 113 N -0.48 1.21 0.30 1.57 4.06 -1.11 0.14 115.95 121.64 2cri h TRP 113 Ca 0.08 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.04 2cri h TRP 113 Cb 0.62 -0.40 0.00 0.00 -1.00 0.00 0.00 29.16 28.39 2cri h TRP 113 CO -0.48 0.63 -0.15 0.87 -3.56 0.00 0.00 178.44 175.74 2cri h LYS 114 N 1.18 -0.40 -0.48 0.49 1.57 0.18 -2.81 116.57 116.30 2cri h LYS 114 Ca 0.43 0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 59.18 2cri h LYS 114 Cb 0.16 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2cri h LYS 114 CO -0.17 -0.27 0.04 0.93 -0.57 0.00 0.00 179.45 179.42 2cri h GLU 115 N -0.42 0.77 -6.12 3.15 5.08 -0.46 -3.43 114.58 113.15 2cri h GLU 115 Ca -0.04 -0.18 -0.77 0.00 -1.00 0.00 0.00 59.36 57.37 2cri h GLU 115 Cb 0.32 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 29.49 2cri h GLU 115 CO 0.06 0.75 0.82 0.00 -1.00 0.00 0.00 179.01 179.64 2cri n ALA 116 N -2.47 -0.56 -2.07 3.43 0.00 0.45 -4.92 120.51 114.37 2cri n ALA 116 Ca 0.03 0.42 -0.31 0.00 0.00 0.00 0.00 53.44 53.58 2cri n ALA 116 Cb 0.27 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 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 3.21 3.81 0.00 0.00 -0.14 -1.26 -4.94 119.74 120.42 2cri s LYS 117 Ca 0.99 0.62 0.14 0.00 -1.36 0.00 0.00 55.97 56.36 2cri s LYS 117 Cb -1.17 -2.30 0.67 0.00 -1.68 0.00 0.00 37.83 33.36 2cri s LYS 117 CO 0.68 -0.14 1.43 -0.35 -0.76 0.00 0.00 175.35 176.21 2cri n PRO 118 N -1.48 0.11 0.07 -1.68 -0.04 -1.26 -1.42 135.00 129.30 2cri n PRO 118 Ca 0.04 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 2cri n PRO 118 Cb 0.54 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.39 0.71 -0.08 3.54 8.00 -1.26 -4.06 116.55 122.01 2cri n ASP 119 Ca 0.05 0.15 0.03 0.00 0.71 0.00 0.00 54.79 55.73 2cri n ASP 119 Cb 0.14 0.55 -0.01 0.00 -0.02 0.00 0.00 41.12 41.78 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 -2.37 3.51 -2.96 -1.24 -0.58 -0.87 -4.97 120.64 111.16 2cri n GLU 120 Ca 0.01 -0.27 -0.41 0.00 -0.42 0.00 0.00 57.16 56.06 2cri n GLU 120 Cb 0.50 -0.87 -0.05 0.00 -0.57 0.00 0.00 31.44 30.45 2cri n GLU 120 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2cri s LEU 121 N -1.71 4.08 0.38 -4.62 1.43 -0.51 -4.89 118.68 112.83 2cri s LEU 121 Ca 0.04 0.89 -0.06 0.00 -1.03 0.00 0.00 54.13 53.97 2cri s LEU 121 Cb 0.04 -3.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.14 2cri s LEU 121 CO 0.18 -0.49 0.67 -0.04 0.23 0.00 0.00 176.35 176.90 2cri s MET 122 N 2.76 3.62 0.12 1.70 -1.94 -0.87 -4.93 119.30 119.76 2cri s MET 122 Ca 0.32 0.13 -0.08 0.00 -1.71 0.00 0.00 55.69 54.35 2cri s MET 122 Cb -0.15 -2.51 -0.01 0.00 2.01 0.00 0.00 34.83 34.17 2cri s MET 122 CO 0.08 0.03 0.20 0.16 -0.01 0.00 0.00 175.02 175.48 2cri s ASP 123 N -3.54 0.13 -0.07 3.03 -4.77 -1.26 -1.28 116.67 108.92 2cri s ASP 123 Ca 0.46 -0.81 -0.01 0.00 -3.30 0.00 0.00 52.55 48.90 2cri s ASP 123 Cb -0.10 0.36 0.03 0.00 -1.09 0.00 0.00 42.92 42.12 2cri s ASP 123 CO 0.35 -0.78 -0.01 -0.55 0.70 0.00 0.00 175.17 174.88 2cri s SER 124 N -2.92 1.52 -0.52 2.11 0.15 0.07 -4.44 113.70 109.66 2cri s SER 124 Ca 0.11 -0.11 -0.26 0.00 0.70 0.00 0.00 55.95 56.40 2cri s SER 124 Cb 0.05 -0.47 0.03 0.00 -1.71 0.00 0.00 66.02 63.92 2cri s SER 124 CO -0.06 -0.17 1.00 -0.75 1.20 0.00 0.00 173.24 174.47 2cri s LYS 125 N 1.78 3.46 -0.04 5.44 2.20 -1.26 -2.92 119.74 128.40 2cri s LYS 125 Ca 0.02 0.04 0.03 0.00 -0.36 0.00 0.00 55.97 55.71 2cri s LYS 125 Cb -0.13 -3.99 0.00 0.00 -1.51 0.00 0.00 37.83 32.21 2cri s LYS 125 CO -0.05 -1.43 -0.13 -1.17 -0.36 0.00 0.00 175.35 172.21 2cri s LEU 126 N 4.13 1.80 -0.13 5.43 0.20 -0.98 -5.02 118.68 124.10 2cri s LEU 126 Ca 0.36 -0.29 -0.06 0.00 0.69 0.00 0.00 54.13 54.84 2cri s LEU 126 Cb -0.10 -0.81 -0.04 0.00 -0.43 0.00 0.00 46.19 44.81 2cri s LEU 126 CO 0.24 0.09 0.08 0.00 -0.29 0.00 0.00 176.35 176.47 2cri s ARG 127 N 0.27 3.52 -0.34 1.98 1.70 -1.26 -0.95 118.95 123.87 2cri s ARG 127 Ca -0.07 -0.27 -0.22 0.00 -0.47 0.00 0.00 55.73 54.71 2cri s ARG 127 Cb -0.12 -3.11 0.00 0.00 -0.57 0.00 0.00 34.95 31.16 2cri s ARG 127 CO 0.02 0.59 0.70 0.00 -1.08 0.00 0.00 175.30 175.53 2cri s VAL 129 N 2.83 5.26 -0.43 0.00 1.01 0.10 -4.76 120.40 124.42 2cri s VAL 129 Ca 0.28 0.63 -0.14 0.00 0.00 0.00 0.00 61.98 62.75 2cri s VAL 129 Cb -0.14 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.63 2cri s VAL 129 CO 0.14 0.42 0.32 -0.36 0.00 0.00 0.00 175.10 175.62 2cri s PHE 130 N 0.16 3.25 0.12 5.22 0.08 -1.26 -0.19 117.98 125.36 2cri s PHE 130 Ca 0.19 -0.91 0.06 0.00 0.12 0.00 0.00 56.93 56.40 2cri s PHE 130 Cb -0.14 -2.85 -0.04 0.00 -0.57 0.00 0.00 43.02 39.42 2cri s PHE 130 CO 0.06 -0.72 -0.03 -1.21 -0.10 0.00 0.00 175.22 173.22 2cri s GLU 131 N 1.61 2.36 0.18 0.44 0.41 -0.78 -4.93 118.70 117.99 2cri s GLU 131 Ca 0.04 -0.99 -0.02 0.00 -0.41 0.00 0.00 54.97 53.59 2cri s GLU 131 Cb -0.22 -2.40 -0.05 0.00 -1.78 0.00 0.00 34.13 29.69 2cri s GLU 131 CO 0.07 0.50 0.38 -1.64 -0.49 0.00 0.00 175.26 174.08 2cri s MET 132 N -2.50 3.54 0.00 1.61 -1.94 -1.26 -1.65 119.30 117.10 2cri s MET 132 Ca 0.25 -0.27 0.00 0.00 -1.71 0.00 0.00 55.69 53.96 2cri s MET 132 Cb -0.11 -2.84 0.00 0.00 2.01 0.00 0.00 34.83 33.89 2cri s MET 132 CO 0.17 0.42 0.00 -0.35 -0.01 0.00 0.00 175.02 175.25 2cri n PRO 133 N -0.44 -0.77 -3.91 2.03 -0.04 -1.26 -4.37 135.00 126.24 2cri n PRO 133 Ca -0.04 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.13 2cri n PRO 133 Cb 0.53 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.01 2cri n PRO 133 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2cri n ASN 134 N -2.62 -3.99 -4.56 3.54 4.05 -1.26 -4.96 115.26 105.47 2cri n ASN 134 Ca 0.00 -0.81 -0.34 0.00 0.45 0.00 0.00 54.58 53.88 2cri n ASN 134 Cb 0.00 -3.79 -0.11 0.00 1.23 0.00 0.00 39.78 37.11 2cri n ASN 134 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 2cri s GLU 135 N -6.55 3.80 -0.35 1.20 2.56 -1.26 -5.08 118.70 113.02 2cri s GLU 135 Ca 0.55 -0.44 -0.17 0.00 0.00 0.00 0.00 54.97 54.91 2cri s GLU 135 Cb -0.28 -3.04 -0.01 0.00 2.00 0.00 0.00 34.13 32.80 2cri s GLU 135 CO 0.84 0.26 0.46 1.21 -0.56 0.00 0.00 175.26 177.47 2cri s ASN 136 N 0.34 6.27 -0.05 -1.70 2.47 -1.26 -5.04 114.94 115.96 2cri s ASN 136 Ca -0.01 -0.10 -0.03 0.00 0.42 0.00 0.00 52.86 53.13 2cri s ASN 136 Cb -0.13 -2.24 0.02 0.00 -1.45 0.00 0.00 41.25 37.45 2cri s ASN 136 CO 0.02 -0.43 0.13 1.51 -3.72 0.00 0.00 177.10 174.61 2cri s ASP 137 N 1.75 -0.12 -0.17 -4.21 -4.77 -1.26 -5.13 116.67 102.77 2cri s ASP 137 Ca 0.16 0.27 -0.29 0.00 -3.30 0.00 0.00 52.55 49.38 2cri s ASP 137 Cb -0.16 0.21 -0.01 0.00 -1.09 0.00 0.00 42.92 41.88 2cri s ASP 137 CO 0.13 -0.09 1.18 -0.54 0.70 0.00 0.00 175.17 176.54 2cri s LYS 138 N 0.60 4.26 0.53 2.11 -0.14 -1.26 -5.03 119.74 120.82 2cri s LYS 138 Ca -0.04 1.56 0.04 0.00 -1.36 0.00 0.00 55.97 56.17 2cri s LYS 138 Cb -0.06 -3.69 0.04 0.00 -1.68 0.00 0.00 37.83 32.44 2cri s LYS 138 CO -0.03 -0.63 0.74 -0.51 -0.76 0.00 0.00 175.35 174.16 2cri s LEU 139 N 3.18 3.34 0.37 3.17 1.02 -1.26 -5.11 118.68 123.39 2cri s LEU 139 Ca 0.51 -0.29 -0.04 0.00 0.02 0.00 0.00 54.13 54.33 2cri s LEU 139 Cb -0.20 -2.53 -0.04 0.00 0.02 0.00 0.00 46.19 43.44 2cri s LEU 139 CO 0.13 -1.14 0.63 0.20 0.02 0.00 0.00 176.35 176.19 2cri s ASN 140 N -4.47 6.35 -0.05 2.29 0.01 -1.26 -5.09 114.94 112.72 2cri s ASN 140 Ca 0.58 0.71 -0.03 0.00 -0.71 0.00 0.00 52.86 53.42 2cri s ASN 140 Cb -0.09 -2.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.39 2cri s ASN 140 CO 0.37 -0.34 0.10 1.51 -1.51 0.00 0.00 177.10 177.23 2cri s ASP 141 N -3.70 5.87 -0.09 -1.22 -4.77 -1.26 -5.11 116.67 106.39 2cri s ASP 141 Ca 0.44 0.25 0.01 0.00 -3.30 0.00 0.00 52.55 49.96 2cri s ASP 141 Cb -0.10 -1.76 -0.02 0.00 -1.09 0.00 0.00 42.92 39.94 2cri s ASP 141 CO 0.36 0.32 -0.12 -0.44 0.70 0.00 0.00 175.17 175.99 2cri s SER 142 N -1.44 4.14 0.00 2.11 0.01 -1.26 -5.08 113.70 112.17 2cri s SER 142 Ca 0.20 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.24 2cri s SER 142 Cb -0.12 -1.23 0.00 0.00 0.21 0.00 0.00 66.02 64.88 2cri s SER 142 CO 0.10 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.63 2cri n GLY 143 N 2.82 3.86 0.00 3.44 0.00 -1.26 -4.95 105.19 109.10 2cri n GLY 143 Ca -0.18 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.18 0.49 -1.09 1.61 -0.04 -1.26 -4.88 135.00 128.65 2cri n PRO 144 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 2cri n PRO 144 Cb 0.00 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 31.95 2cri n PRO 144 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2cri n SER 145 N -0.99 -0.96 -4.77 3.54 3.41 -1.26 -4.78 113.62 107.81 2cri n SER 145 Ca 0.11 0.88 -0.41 0.00 -0.26 0.00 0.00 58.87 59.19 2cri n SER 145 Cb 0.05 -0.74 -0.01 0.00 -0.26 0.00 0.00 64.21 63.25 2cri n SER 145 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cri s SER 146 N -0.77 6.40 0.00 4.04 1.04 -1.26 -5.22 113.70 117.92 2cri s SER 146 Ca 0.50 2.98 0.00 0.00 0.48 0.00 0.00 55.95 59.91 2cri s SER 146 Cb -0.73 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 62.74 2cri s SER 146 CO 0.44 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.41