#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 -5.50 -4.48 1.61 7.64 -1.26 -4.95 113.62 106.69 2cri n SER 2 Ca 0.00 -0.54 -0.43 0.00 1.01 0.00 0.00 58.87 58.90 2cri n SER 2 Cb 0.00 -4.96 -0.06 0.00 -1.01 0.00 0.00 64.21 58.18 2cri n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cri s SER 3 N -3.51 6.28 -0.98 6.43 0.15 -1.26 -4.98 113.70 115.83 2cri s SER 3 Ca 0.47 -0.62 -0.24 0.00 0.70 0.00 0.00 55.95 56.25 2cri s SER 3 Cb -0.21 -2.33 -0.05 0.00 -1.71 0.00 0.00 66.02 61.72 2cri s SER 3 CO 0.71 -0.91 1.93 -0.83 1.20 0.00 0.00 173.24 175.34 2cri s GLY 4 N 2.49 0.21 -0.13 9.45 0.00 -1.26 -4.90 107.32 113.17 2cri s GLY 4 Ca 0.20 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.24 2cri s GLY 4 CO 0.16 3.49 -0.12 -0.56 0.00 0.00 0.00 173.10 176.06 2cri s SER 5 N 7.57 2.44 -0.03 1.64 0.01 -1.26 -5.12 113.70 118.95 2cri s SER 5 Ca 0.69 -0.41 -0.08 0.00 1.31 0.00 0.00 55.95 57.47 2cri s SER 5 Cb -0.05 -1.04 0.01 0.00 0.21 0.00 0.00 66.02 65.15 2cri s SER 5 CO 0.03 -0.06 0.17 -0.44 0.41 0.00 0.00 173.24 173.35 2cri s SER 6 N 1.45 -0.09 0.00 2.44 0.01 -1.26 -5.14 113.70 111.11 2cri s SER 6 Ca 0.02 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.35 2cri s SER 6 Cb -0.13 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.39 2cri s SER 6 CO -0.08 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 173.93 2cri n GLY 7 N 2.08 -0.60 3.63 3.44 0.00 -1.26 -5.18 105.19 107.29 2cri n GLY 7 Ca -0.18 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2cri n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2cri s MET 8 N -1.02 0.45 0.26 1.61 0.00 -1.26 -5.19 119.30 114.15 2cri s MET 8 Ca 0.00 -0.24 0.06 0.00 0.00 0.00 0.00 55.69 55.50 2cri s MET 8 Cb 0.00 0.16 -0.06 0.00 0.00 0.00 0.00 34.83 34.93 2cri s MET 8 CO 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 175.02 174.77 2cri s ALA 9 N -2.50 2.16 -0.76 3.16 0.00 -1.26 -5.06 121.76 117.51 2cri s ALA 9 Ca 0.13 -1.85 -0.01 0.00 0.00 0.00 0.00 51.96 50.23 2cri s ALA 9 Cb 0.04 0.27 0.38 0.00 0.00 0.00 0.00 23.12 23.80 2cri s ALA 9 CO -0.04 -0.12 1.94 1.63 0.00 0.00 0.00 175.76 179.17 2cri n LYS 10 N -0.52 2.81 -3.92 0.00 5.02 -1.26 -4.92 118.16 115.37 2cri n LYS 10 Ca -0.05 -3.56 -0.17 0.00 -2.02 0.00 0.00 58.31 52.51 2cri n LYS 10 Cb 0.63 -2.27 -0.16 0.00 -0.02 0.00 0.00 35.03 33.21 2cri n LYS 10 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2cri s HIS 11 N -3.97 0.30 -0.15 2.13 3.76 -1.26 -5.14 115.29 110.97 2cri s HIS 11 Ca 0.55 0.01 -0.03 0.00 -0.15 0.00 0.00 55.06 55.44 2cri s HIS 11 Cb 0.45 -0.40 -0.03 0.00 1.11 0.00 0.00 32.58 33.71 2cri s HIS 11 CO -0.29 -0.13 -0.06 -2.00 -0.85 0.00 0.00 174.74 171.41 2cri s GLU 12 N 1.04 3.58 -0.04 1.40 -6.30 -1.26 -5.10 118.70 112.01 2cri s GLU 12 Ca -0.10 -0.55 -0.23 0.00 -2.50 0.00 0.00 54.97 51.59 2cri s GLU 12 Cb -0.13 -2.85 0.05 0.00 0.00 0.00 0.00 34.13 31.20 2cri s GLU 12 CO -0.02 0.26 0.51 1.14 0.02 0.00 0.00 175.26 177.17 2cri s GLN 13 N 0.30 0.86 0.43 4.30 0.00 -1.26 -4.87 119.66 119.41 2cri s GLN 13 Ca -0.05 0.10 0.23 0.00 -0.00 0.00 0.00 55.36 55.64 2cri s GLN 13 Cb -0.14 0.40 0.32 0.00 0.00 0.00 0.00 33.01 33.59 2cri s GLN 13 CO 0.03 -0.25 1.59 0.97 0.00 0.00 0.00 175.29 177.64 2cri h ILE 14 N 3.46 0.04 -3.56 3.63 6.09 -1.97 -3.42 117.51 121.78 2cri h ILE 14 Ca -0.28 -1.06 -0.67 0.00 -1.37 0.00 0.00 64.86 61.48 2cri h ILE 14 Cb 1.16 2.01 -0.32 0.00 0.47 0.00 0.00 36.82 40.14 2cri h ILE 14 CO 0.38 0.02 -0.74 -0.76 -3.07 0.00 0.00 178.15 173.98 2cri s LEU 15 N -6.21 3.29 0.14 2.19 1.43 -1.26 -4.02 118.68 114.25 2cri s LEU 15 Ca 0.07 -0.95 -0.16 0.00 -1.03 0.00 0.00 54.13 52.05 2cri s LEU 15 Cb 0.05 -1.66 -0.07 0.00 0.03 0.00 0.00 46.19 44.54 2cri s LEU 15 CO 0.68 -0.15 0.58 0.68 0.23 0.00 0.00 176.35 178.37 2cri s VAL 16 N 1.30 4.79 0.27 -1.59 -7.23 -1.03 -4.99 120.40 111.92 2cri s VAL 16 Ca -0.01 0.97 0.07 0.00 -1.81 0.00 0.00 61.98 61.20 2cri s VAL 16 Cb -0.17 -3.78 -0.03 0.00 0.56 0.00 0.00 36.38 32.95 2cri s VAL 16 CO -0.04 0.30 0.22 -0.76 -0.31 0.00 0.00 175.10 174.51 2cri s LEU 17 N -1.80 3.78 -0.15 1.32 1.02 -1.26 -1.80 118.68 119.79 2cri s LEU 17 Ca 0.37 -0.30 -0.04 0.00 0.02 0.00 0.00 54.13 54.18 2cri s LEU 17 Cb -0.16 -2.33 0.07 0.00 0.02 0.00 0.00 46.19 43.79 2cri s LEU 17 CO 0.19 -0.11 0.26 -0.62 0.02 0.00 0.00 176.35 176.09 2cri s ASP 18 N -3.88 0.55 0.26 2.29 2.15 0.11 -1.52 116.67 116.63 2cri s ASP 18 Ca 0.35 0.41 -0.29 0.00 0.43 0.00 0.00 52.55 53.44 2cri s ASP 18 Cb -0.07 0.65 -0.09 0.00 -0.30 0.00 0.00 42.92 43.10 2cri s ASP 18 CO 0.25 -0.26 1.26 -2.16 -0.17 0.00 0.00 175.17 174.10 2cri s PRO 19 N 2.41 4.43 0.21 4.34 0.04 -1.26 -1.50 135.00 143.67 2cri s PRO 19 Ca 0.03 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.10 2cri s PRO 19 Cb -0.13 -3.15 0.18 0.00 0.04 0.00 0.00 34.50 31.44 2cri s PRO 19 CO -0.10 -0.13 1.57 -1.00 0.04 0.00 0.00 177.00 177.38 2cri h PRO 20 N 4.37 0.59 0.00 0.56 0.13 -1.66 -3.37 132.00 132.62 2cri h PRO 20 Ca -0.47 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.35 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 0.90 0.00 0.43 -0.23 0.00 0.00 178.00 179.81 2cri n SER 21 N -4.02 0.00 -3.90 1.44 7.64 -1.26 -4.92 113.62 108.61 2cri n SER 21 Ca -0.02 0.51 -0.10 0.00 1.01 0.00 0.00 58.87 60.26 2cri n SER 21 Cb 0.53 -0.18 -0.10 0.00 -1.01 0.00 0.00 64.21 63.45 2cri n SER 21 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2cri s ASP 22 N -1.91 0.10 -0.48 6.43 1.11 -1.26 -4.56 116.67 116.11 2cri s ASP 22 Ca 0.00 -0.37 -0.18 0.00 0.18 0.00 0.00 52.55 52.19 2cri s ASP 22 Cb 0.00 0.21 0.06 0.00 1.07 0.00 0.00 42.92 44.26 2cri s ASP 22 CO 0.00 -0.44 0.53 -0.22 1.18 0.00 0.00 175.17 176.22 2cri s LEU 23 N -1.74 5.13 0.50 1.23 2.96 -1.24 -4.58 118.68 120.95 2cri s LEU 23 Ca -0.10 -0.98 -0.14 0.00 -0.22 0.00 0.00 54.13 52.69 2cri s LEU 23 Cb -0.05 -2.37 -0.07 0.00 0.50 0.00 0.00 46.19 44.21 2cri s LEU 23 CO -0.01 -0.77 0.94 -0.54 -1.32 0.00 0.00 176.35 174.65 2cri s LYS 24 N 2.26 3.85 -0.11 1.98 1.02 -1.26 -1.82 119.74 125.67 2cri s LYS 24 Ca 0.12 0.80 0.00 0.00 0.02 0.00 0.00 55.97 56.90 2cri s LYS 24 Cb -0.20 -2.19 0.02 0.00 -0.52 0.00 0.00 37.83 34.94 2cri s LYS 24 CO 0.11 -0.26 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.13 2cri s PHE 25 N -2.65 1.55 -0.18 3.18 0.40 -0.15 -4.91 117.98 115.23 2cri s PHE 25 Ca 0.56 -0.76 -0.29 0.00 -0.60 0.00 0.00 56.93 55.85 2cri s PHE 25 Cb -0.10 -1.25 -0.00 0.00 0.51 0.00 0.00 43.02 42.18 2cri s PHE 25 CO 0.35 -0.50 0.99 0.21 0.70 0.00 0.00 175.22 176.98 2cri s LYS 26 N 1.53 4.32 0.00 0.44 2.47 -1.26 -1.64 119.74 125.60 2cri s LYS 26 Ca 0.02 1.31 0.00 0.00 -1.56 0.00 0.00 55.97 55.74 2cri s LYS 26 Cb -0.13 -3.60 0.00 0.00 -1.46 0.00 0.00 37.83 32.64 2cri s LYS 26 CO -0.07 -0.47 0.00 0.41 0.16 0.00 0.00 175.35 175.38 2cri n GLY 27 N 3.27 -1.44 3.58 5.54 0.00 -1.17 -4.90 105.19 110.09 2cri n GLY 27 Ca 0.10 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.74 -1.43 -0.10 1.61 0.04 -1.26 -4.88 135.00 128.24 2cri s PRO 28 Ca 0.00 -0.14 0.17 0.00 0.04 0.00 0.00 61.00 61.07 2cri s PRO 28 Cb 0.00 -1.58 0.63 0.00 0.04 0.00 0.00 34.50 33.59 2cri s PRO 28 CO 0.00 -3.83 1.54 1.19 0.04 0.00 0.00 177.00 175.94 2cri n PHE 29 N -4.83 1.25 0.20 0.56 3.72 -1.26 -4.36 117.46 112.74 2cri n PHE 29 Ca 0.14 -0.63 0.09 0.00 -0.05 0.00 0.00 57.45 57.00 2cri n PHE 29 Cb 0.60 -0.22 0.26 0.00 -0.94 0.00 0.00 39.48 39.17 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 3.44 0.42 -2.82 4.37 1.03 -1.95 -3.30 112.91 114.11 2cri h THR 30 Ca 0.00 -1.37 -0.54 0.00 -0.01 0.00 0.00 66.41 64.49 2cri h THR 30 Cb 1.34 2.02 -0.13 0.00 -1.07 0.00 0.00 68.15 70.31 2cri h THR 30 CO 0.19 0.22 -0.52 -0.62 -0.01 0.00 0.00 175.52 174.78 2cri s ASP 31 N -6.23 2.65 -0.07 0.00 2.15 -1.26 -4.83 116.67 109.07 2cri s ASP 31 Ca 0.04 -1.65 -0.30 0.00 0.43 0.00 0.00 52.55 51.07 2cri s ASP 31 Cb 0.08 0.47 -0.05 0.00 -0.30 0.00 0.00 42.92 43.12 2cri s ASP 31 CO 0.67 -0.92 1.51 -0.69 -0.17 0.00 0.00 175.17 175.58 2cri s VAL 32 N -3.25 3.77 -0.06 1.11 1.01 -1.26 -3.98 120.40 117.73 2cri s VAL 32 Ca 0.26 0.98 -0.11 0.00 0.00 0.00 0.00 61.98 63.11 2cri s VAL 32 Cb 0.03 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 2cri s VAL 32 CO 0.15 -0.07 0.28 -0.69 0.00 0.00 0.00 175.10 174.77 2cri s VAL 33 N 3.59 5.27 -0.30 2.92 1.01 0.06 -4.90 120.40 128.05 2cri s VAL 33 Ca 0.67 0.53 -0.04 0.00 0.00 0.00 0.00 61.98 63.13 2cri s VAL 33 Cb -0.30 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.55 2cri s VAL 33 CO 0.25 0.59 0.04 -0.89 0.00 0.00 0.00 175.10 175.09 2cri s THR 34 N -0.99 3.46 -0.08 3.92 2.01 -1.26 0.34 115.64 123.04 2cri s THR 34 Ca 0.19 -1.06 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 2cri s THR 34 Cb -0.14 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 2cri s THR 34 CO 0.08 -0.02 0.00 -0.89 -0.69 0.00 0.00 174.62 173.11 2cri s THR 35 N 1.38 4.33 -0.25 -0.82 2.01 -0.37 -4.98 115.64 116.94 2cri s THR 35 Ca -0.01 -0.24 -0.07 0.00 0.31 0.00 0.00 61.69 61.67 2cri s THR 35 Cb -0.18 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 2cri s THR 35 CO 0.00 0.60 0.07 0.20 -0.69 0.00 0.00 174.62 174.80 2cri s ASN 36 N -0.90 5.13 -0.36 3.53 -0.87 -1.26 -0.55 114.94 119.66 2cri s ASN 36 Ca 0.13 -0.20 -0.08 0.00 -1.57 0.00 0.00 52.86 51.15 2cri s ASN 36 Cb -0.11 -1.92 0.05 0.00 -0.02 0.00 0.00 41.25 39.24 2cri s ASN 36 CO 0.02 -0.02 0.16 -0.22 -2.57 0.00 0.00 177.10 174.47 2cri s LEU 37 N 1.55 4.58 0.25 0.60 0.20 -0.62 -4.85 118.68 120.40 2cri s LEU 37 Ca 0.06 -1.21 -0.27 0.00 0.69 0.00 0.00 54.13 53.40 2cri s LEU 37 Cb -0.15 -1.92 -0.09 0.00 -0.43 0.00 0.00 46.19 43.60 2cri s LEU 37 CO 0.03 -0.39 0.89 -0.54 -0.29 0.00 0.00 176.35 176.06 2cri s LYS 38 N 1.43 4.66 -0.26 1.98 1.02 -0.56 -1.26 119.74 126.74 2cri s LYS 38 Ca 0.00 1.32 -0.01 0.00 0.02 0.00 0.00 55.97 57.30 2cri s LYS 38 Cb -0.20 -3.09 0.08 0.00 -0.52 0.00 0.00 37.83 34.09 2cri s LYS 38 CO 0.03 0.45 0.05 -0.51 -0.92 0.00 0.00 175.35 174.45 2cri s LEU 39 N -1.51 1.93 0.26 3.17 1.43 0.41 -0.71 118.68 123.66 2cri s LEU 39 Ca 0.43 -1.29 -0.12 0.00 -1.03 0.00 0.00 54.13 52.12 2cri s LEU 39 Cb -0.22 -0.82 -0.08 0.00 0.03 0.00 0.00 46.19 45.10 2cri s LEU 39 CO 0.27 -0.35 0.61 -1.58 0.23 0.00 0.00 176.35 175.53 2cri s GLN 40 N 1.66 3.88 -0.34 1.70 0.74 -0.74 -1.32 119.66 125.23 2cri s GLN 40 Ca 0.04 0.41 0.02 0.00 0.05 0.00 0.00 55.36 55.88 2cri s GLN 40 Cb -0.17 -2.59 0.10 0.00 1.10 0.00 0.00 33.01 31.45 2cri s GLN 40 CO -0.16 0.27 0.09 1.21 -0.55 0.00 0.00 175.29 176.15 2cri s ASN 41 N -2.30 4.37 0.44 6.67 2.47 -1.16 -2.45 114.94 122.98 2cri s ASN 41 Ca 0.49 -2.01 0.30 0.00 0.42 0.00 0.00 52.86 52.06 2cri s ASN 41 Cb -0.11 -1.27 1.25 0.00 -1.45 0.00 0.00 41.25 39.66 2cri s ASN 41 CO 0.20 -0.38 1.89 1.55 -3.72 0.00 0.00 177.10 176.64 2cri h PRO 42 N 7.70 0.00 0.00 0.43 0.13 -1.92 -2.96 132.00 135.38 2cri h PRO 42 Ca -0.08 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.77 2cri h PRO 42 Cb 1.01 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.27 2cri h PRO 42 CO 0.51 0.00 0.14 -1.13 -0.23 0.00 0.00 178.00 177.28 2cri n SER 43 N -2.76 -1.27 -0.12 1.44 3.41 -1.26 -4.88 113.62 108.18 2cri n SER 43 Ca 0.01 -1.05 0.04 0.00 -0.26 0.00 0.00 58.87 57.61 2cri n SER 43 Cb 0.27 -0.69 0.06 0.00 -0.26 0.00 0.00 64.21 63.59 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 -4.10 1.50 -4.02 4.04 8.00 -1.26 -3.15 116.55 117.56 2cri n ASP 44 Ca 0.11 -2.30 -0.12 0.00 0.71 0.00 0.00 54.79 53.19 2cri n ASP 44 Cb 0.40 -0.21 -0.11 0.00 -0.02 0.00 0.00 41.12 41.18 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 -1.43 0.43 0.42 -1.24 1.70 -1.26 -4.80 118.95 112.77 2cri s ARG 45 Ca 0.13 -0.66 -0.23 0.00 -0.47 0.00 0.00 55.73 54.50 2cri s ARG 45 Cb 0.11 -0.14 -0.11 0.00 -0.57 0.00 0.00 34.95 34.24 2cri s ARG 45 CO 0.01 0.01 0.84 1.63 -1.08 0.00 0.00 175.30 176.72 2cri n LYS 46 N 1.62 1.03 -3.68 3.89 5.02 -1.26 -4.54 118.16 120.24 2cri n LYS 46 Ca -0.22 0.37 -0.17 0.00 -2.02 0.00 0.00 58.31 56.26 2cri n LYS 46 Cb 0.55 -1.84 -0.16 0.00 -0.02 0.00 0.00 35.03 33.56 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 -1.34 -0.19 0.19 -0.18 1.01 -1.25 -1.67 120.40 116.97 2cri s VAL 47 Ca 0.64 0.35 -0.30 0.00 0.00 0.00 0.00 61.98 62.67 2cri s VAL 47 Cb -0.58 -0.24 -0.08 0.00 0.00 0.00 0.00 36.38 35.48 2cri s VAL 47 CO 0.57 0.15 1.15 0.00 0.00 0.00 0.00 175.10 176.96 2cri s PHE 49 N -0.19 0.47 -0.13 0.00 -0.71 -1.02 -0.44 117.98 115.95 2cri s PHE 49 Ca 0.51 -0.07 0.01 0.00 -1.04 0.00 0.00 56.93 56.33 2cri s PHE 49 Cb -0.31 -0.50 -0.01 0.00 -1.21 0.00 0.00 43.02 40.99 2cri s PHE 49 CO 0.36 -0.15 -0.15 0.15 -1.34 0.00 0.00 175.22 174.09 2cri s LYS 50 N 0.98 3.28 -0.43 1.99 1.02 -0.74 -2.77 119.74 123.08 2cri s LYS 50 Ca -0.10 -0.74 -0.17 0.00 0.02 0.00 0.00 55.97 54.98 2cri s LYS 50 Cb -0.14 -2.58 0.03 0.00 -0.52 0.00 0.00 37.83 34.62 2cri s LYS 50 CO -0.01 0.15 0.43 0.08 -0.92 0.00 0.00 175.35 175.08 2cri s VAL 51 N 0.49 5.11 -0.07 3.17 1.01 -0.80 -1.68 120.40 127.62 2cri s VAL 51 Ca -0.11 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.42 2cri s VAL 51 Cb -0.16 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.19 2cri s VAL 51 CO 0.05 -0.45 -0.08 -0.54 0.00 0.00 0.00 175.10 174.08 2cri s LYS 52 N 2.07 1.29 0.07 2.72 1.02 -1.16 -4.87 119.74 120.88 2cri s LYS 52 Ca 0.11 -0.23 0.06 0.00 0.02 0.00 0.00 55.97 55.92 2cri s LYS 52 Cb -0.18 -1.23 -0.03 0.00 -0.52 0.00 0.00 37.83 35.87 2cri s LYS 52 CO 0.12 -0.10 -0.15 -0.08 -0.92 0.00 0.00 175.35 174.22 2cri s THR 53 N 1.10 1.20 0.66 2.17 -1.32 -1.26 -2.68 115.64 115.50 2cri s THR 53 Ca -0.07 -1.31 0.29 0.00 -1.21 0.00 0.00 61.69 59.39 2cri s THR 53 Cb -0.14 -1.13 0.30 0.00 -1.51 0.00 0.00 72.50 70.01 2cri s THR 53 CO -0.01 -0.18 1.90 0.71 -2.21 0.00 0.00 174.62 174.84 2cri h THR 54 N 4.28 0.03 -3.35 5.08 1.35 -1.95 -3.13 112.91 115.23 2cri h THR 54 Ca -0.41 0.00 -0.72 0.00 -0.55 0.00 0.00 66.41 64.72 2cri h THR 54 Cb 1.19 0.65 -0.34 0.00 -1.73 0.00 0.00 68.15 67.92 2cri h THR 54 CO 0.40 0.00 0.02 0.00 -0.25 0.00 0.00 175.52 175.69 2cri n ALA 55 N -1.91 3.90 0.02 6.62 0.00 -1.26 -4.87 120.51 123.01 2cri n ALA 55 Ca -0.01 -4.62 -0.06 0.00 0.00 0.00 0.00 53.44 48.75 2cri n ALA 55 Cb 0.41 -1.84 0.12 0.00 0.00 0.00 0.00 19.45 18.14 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 6.08 0.48 0.00 0.00 0.13 -1.78 -2.27 132.00 134.64 2cri h PRO 56 Ca 0.17 -0.25 -0.12 0.00 -0.87 0.00 0.00 66.00 64.93 2cri h PRO 56 Cb 0.82 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 2cri h PRO 56 CO 0.89 0.82 -0.80 0.00 -0.23 0.00 0.00 178.00 178.68 2cri h ARG 57 N 0.39 0.00 -0.99 0.86 2.47 -1.92 -3.38 114.38 111.81 2cri h ARG 57 Ca 0.03 0.00 0.19 0.00 -1.26 0.00 0.00 59.98 58.94 2cri h ARG 57 Cb 0.92 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.14 2cri h ARG 57 CO 0.08 0.60 0.61 0.00 0.56 0.00 0.00 179.97 181.82 2cri h ARG 58 N -1.00 0.70 -6.28 0.04 3.08 -1.96 -3.40 114.38 105.55 2cri h ARG 58 Ca -0.18 -0.04 -0.68 0.00 0.07 0.00 0.00 59.98 59.16 2cri h ARG 58 Cb 0.92 -0.16 -0.17 0.00 0.08 0.00 0.00 29.97 30.64 2cri h ARG 58 CO -0.11 0.46 -0.70 0.71 -1.07 0.00 0.00 179.97 179.26 2cri s TYR 59 N -5.79 2.88 -0.30 3.04 1.51 -0.85 -2.09 117.35 115.75 2cri s TYR 59 Ca -0.11 -0.04 0.02 0.00 -1.01 0.00 0.00 57.07 55.93 2cri s TYR 59 Cb 0.24 -1.62 0.09 0.00 -0.11 0.00 0.00 41.96 40.57 2cri s TYR 59 CO 0.80 0.36 0.03 0.00 -1.11 0.00 0.00 175.55 175.64 2cri s VAL 61 N 1.26 5.12 -0.15 0.00 1.01 -1.26 -0.58 120.40 125.80 2cri s VAL 61 Ca 0.06 0.98 -0.04 0.00 0.00 0.00 0.00 61.98 62.98 2cri s VAL 61 Cb -0.18 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.42 2cri s VAL 61 CO -0.13 0.21 0.22 -0.13 0.00 0.00 0.00 175.10 175.27 2cri s ARG 62 N 1.38 0.13 0.83 2.72 3.00 -0.91 -2.97 118.95 123.13 2cri s ARG 62 Ca 0.25 0.49 -0.11 0.00 0.00 0.00 0.00 55.73 56.36 2cri s ARG 62 Cb -0.15 -0.56 0.09 0.00 0.00 0.00 0.00 34.95 34.33 2cri s ARG 62 CO 0.10 -0.44 1.09 -1.25 0.00 0.00 0.00 175.30 174.81 2cri s PRO 63 N 2.35 1.81 0.13 3.54 0.04 -1.26 -1.60 135.00 140.01 2cri s PRO 63 Ca 0.04 1.01 0.23 0.00 0.04 0.00 0.00 61.00 62.33 2cri s PRO 63 Cb -0.13 -1.86 0.18 0.00 0.04 0.00 0.00 34.50 32.72 2cri s PRO 63 CO -0.09 -1.91 1.17 0.09 0.04 0.00 0.00 177.00 176.30 2cri n ASN 64 N -3.68 0.72 -3.56 6.66 4.13 -1.16 -4.84 115.26 113.53 2cri n ASN 64 Ca 0.08 0.11 -0.08 0.00 1.68 0.00 0.00 54.58 56.38 2cri n ASN 64 Cb 0.54 0.39 -0.03 0.00 -1.54 0.00 0.00 39.78 39.14 2cri n ASN 64 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2cri s SER 65 N -4.50 -0.29 0.00 6.41 1.04 -1.26 -1.91 113.70 113.20 2cri s SER 65 Ca 0.04 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.60 2cri s SER 65 Cb 0.12 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2cri s SER 65 CO 0.76 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 175.20 2cri n GLY 66 N 0.17 -0.70 3.01 7.32 0.00 -1.11 -5.06 105.19 108.82 2cri n GLY 66 Ca -0.06 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 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 -4.00 0.65 -0.30 -0.61 1.01 -1.26 -2.42 121.20 114.27 2cri s ILE 67 Ca 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.18 2cri s ILE 67 Cb 0.00 -0.55 -0.02 0.00 0.01 0.00 0.00 42.46 41.90 2cri s ILE 67 CO 0.00 0.17 0.15 -0.63 0.00 0.00 0.00 174.94 174.62 2cri s ILE 68 N -0.23 4.66 0.50 2.92 1.01 -1.15 -4.98 121.20 123.92 2cri s ILE 68 Ca 0.03 -0.30 -0.20 0.00 0.00 0.00 0.00 60.65 60.17 2cri s ILE 68 Cb -0.03 -3.33 -0.11 0.00 0.01 0.00 0.00 42.46 39.00 2cri s ILE 68 CO -0.00 0.13 0.51 0.47 0.00 0.00 0.00 174.94 176.05 2cri n ASP 69 N 4.99 -1.04 -4.62 3.58 9.92 -1.26 -3.77 116.55 124.34 2cri n ASP 69 Ca -0.14 0.81 -0.43 0.00 -0.53 0.00 0.00 54.79 54.50 2cri n ASP 69 Cb 0.50 -1.14 -0.03 0.00 -0.64 0.00 0.00 41.12 39.82 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 -1.80 3.67 0.00 -0.24 0.04 -1.26 -2.79 135.00 132.62 2cri s PRO 70 Ca 0.65 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2cri s PRO 70 Cb -0.52 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 29.95 2cri s PRO 70 CO 0.57 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 176.57 2cri n GLY 71 N 4.87 0.80 3.09 0.56 0.00 -1.12 -4.87 105.19 108.52 2cri n GLY 71 Ca 0.20 -0.65 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.79 0.34 -0.16 1.61 0.01 -1.12 -4.96 113.70 106.63 2cri s SER 72 Ca 0.00 -0.77 -0.04 0.00 1.31 0.00 0.00 55.95 56.45 2cri s SER 72 Cb 0.00 0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.40 2cri s SER 72 CO 0.00 -0.54 -0.02 -0.63 0.41 0.00 0.00 173.24 172.46 2cri s ILE 73 N -3.18 4.05 -0.12 1.44 1.01 -1.26 -2.97 121.20 120.17 2cri s ILE 73 Ca 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 2cri s ILE 73 Cb 0.02 -2.78 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 2cri s ILE 73 CO -0.07 0.49 -0.10 -0.69 0.00 0.00 0.00 174.94 174.57 2cri s VAL 74 N 0.31 3.39 -0.26 2.92 1.01 -0.44 -4.89 120.40 122.45 2cri s VAL 74 Ca -0.02 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 2cri s VAL 74 Cb -0.14 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 2cri s VAL 74 CO 0.02 0.53 0.12 -0.89 0.00 0.00 0.00 175.10 174.89 2cri s THR 75 N 0.06 4.81 -0.14 3.92 2.01 -1.26 -0.44 115.64 124.59 2cri s THR 75 Ca -0.03 -0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.89 2cri s THR 75 Cb -0.14 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 2cri s THR 75 CO 0.04 0.31 0.13 -0.69 -0.69 0.00 0.00 174.62 173.72 2cri s VAL 76 N 1.56 5.44 -0.74 3.82 1.01 -0.39 -4.90 120.40 126.19 2cri s VAL 76 Ca 0.06 0.19 -0.20 0.00 0.00 0.00 0.00 61.98 62.03 2cri s VAL 76 Cb -0.15 -3.40 0.10 0.00 0.00 0.00 0.00 36.38 32.94 2cri s VAL 76 CO 0.06 0.58 0.96 -0.44 0.00 0.00 0.00 175.10 176.26 2cri s SER 77 N -0.69 6.35 -0.65 3.32 0.01 -0.63 -1.60 113.70 119.81 2cri s SER 77 Ca 0.13 -1.50 -0.19 0.00 1.31 0.00 0.00 55.95 55.71 2cri s SER 77 Cb -0.12 -2.38 0.11 0.00 0.21 0.00 0.00 66.02 63.85 2cri s SER 77 CO 0.03 -1.22 0.78 -0.69 0.41 0.00 0.00 173.24 172.54 2cri s VAL 78 N 3.18 4.83 0.40 3.43 1.01 0.29 -2.14 120.40 131.40 2cri s VAL 78 Ca 0.23 -1.12 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 2cri s VAL 78 Cb -0.14 -4.54 -0.11 0.00 0.00 0.00 0.00 36.38 31.60 2cri s VAL 78 CO 0.02 -1.19 0.95 -0.04 0.00 0.00 0.00 175.10 174.84 2cri s MET 79 N 2.60 4.33 -0.19 2.72 -1.94 0.25 -1.24 119.30 125.83 2cri s MET 79 Ca 0.15 1.20 -0.01 0.00 -1.71 0.00 0.00 55.69 55.32 2cri s MET 79 Cb -0.20 -2.38 0.05 0.00 2.01 0.00 0.00 34.83 34.31 2cri s MET 79 CO 0.04 0.05 -0.00 -1.17 -0.01 0.00 0.00 175.02 173.92 2cri s LEU 80 N -2.82 1.58 0.48 -0.03 0.20 0.15 -0.76 118.68 117.47 2cri s LEU 80 Ca 0.58 -0.84 -0.23 0.00 0.69 0.00 0.00 54.13 54.33 2cri s LEU 80 Cb -0.13 -0.79 -0.07 0.00 -0.43 0.00 0.00 46.19 44.78 2cri s LEU 80 CO 0.17 -0.26 1.26 -1.10 -0.29 0.00 0.00 176.35 176.13 2cri s GLN 81 N 1.71 3.57 -0.22 1.98 1.11 -0.89 -0.76 119.66 126.16 2cri s GLN 81 Ca -0.02 2.00 -0.29 0.00 0.01 0.00 0.00 55.36 57.07 2cri s GLN 81 Cb -0.17 -2.41 -0.03 0.00 -1.01 0.00 0.00 33.01 29.39 2cri s GLN 81 CO -0.07 -0.77 1.61 -1.25 0.01 0.00 0.00 175.29 174.82 2cri s PRO 82 N -2.69 3.79 0.07 2.91 0.04 -1.26 -4.87 135.00 132.99 2cri s PRO 82 Ca 0.65 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2cri s PRO 82 Cb -0.34 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.12 2cri s PRO 82 CO 0.42 -1.30 -0.04 -0.59 0.04 0.00 0.00 177.00 175.52 2cri s PHE 83 N 5.22 0.67 -0.77 0.56 -0.71 -1.24 -4.97 117.98 116.73 2cri s PHE 83 Ca 0.71 -1.01 -0.26 0.00 -1.04 0.00 0.00 56.93 55.34 2cri s PHE 83 Cb -0.25 -0.44 -0.08 0.00 -1.21 0.00 0.00 43.02 41.04 2cri s PHE 83 CO 0.29 -0.29 2.19 -0.51 -1.34 0.00 0.00 175.22 175.56 2cri s ASP 84 N -2.97 4.55 -0.38 1.98 1.01 -1.26 -4.87 116.67 114.72 2cri s ASP 84 Ca 0.09 -0.04 -0.27 0.00 0.71 0.00 0.00 52.55 53.03 2cri s ASP 84 Cb 0.07 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.39 2cri s ASP 84 CO -0.08 -3.19 2.34 0.00 0.21 0.00 0.00 175.17 174.45 2cri n TYR 85 N 16.03 1.64 -3.93 4.23 9.36 -1.26 -4.90 117.16 138.33 2cri n TYR 85 Ca 0.40 0.03 -0.30 0.00 3.32 0.00 0.00 57.90 61.35 2cri n TYR 85 Cb 0.47 -2.67 -0.14 0.00 -0.63 0.00 0.00 39.34 36.37 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 10.56 4.31 0.14 2.98 1.11 -1.26 -4.96 116.67 129.55 2cri s ASP 86 Ca 1.00 -2.77 -0.11 0.00 0.18 0.00 0.00 52.55 50.85 2cri s ASP 86 Cb -0.26 -1.54 -0.05 0.00 1.07 0.00 0.00 42.92 42.14 2cri s ASP 86 CO 0.30 -0.27 1.47 1.55 1.18 0.00 0.00 175.17 179.41 2cri h PRO 87 N 6.78 0.94 -0.89 8.23 0.13 -2.03 -3.20 132.00 141.97 2cri h PRO 87 Ca -0.07 -0.50 0.24 0.00 -0.87 0.00 0.00 66.00 64.81 2cri h PRO 87 Cb 0.92 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 31.93 2cri h PRO 87 CO 0.63 1.15 0.25 -2.95 -0.23 0.00 0.00 178.00 176.85 2cri h ASN 88 N 0.76 0.02 -3.49 1.44 7.08 -2.02 -3.27 115.58 116.11 2cri h ASN 88 Ca 0.06 0.20 -0.70 0.00 -3.08 0.00 0.00 56.30 52.78 2cri h ASN 88 Cb 0.98 0.26 -0.34 0.00 -2.08 0.00 0.00 38.32 37.15 2cri h ASN 88 CO 0.10 -0.16 -0.54 -0.70 -2.08 0.00 0.00 177.43 174.04 2cri s GLU 89 N -5.92 2.08 -0.07 4.14 2.56 -1.21 -5.07 118.70 115.21 2cri s GLU 89 Ca -0.12 -1.77 0.03 0.00 0.00 0.00 0.00 54.97 53.11 2cri s GLU 89 Cb 0.26 -3.59 0.01 0.00 2.00 0.00 0.00 34.13 32.81 2cri s GLU 89 CO 0.77 -1.05 -0.16 -1.59 -0.56 0.00 0.00 175.26 172.67 2cri s LYS 90 N 1.17 2.05 -0.23 4.30 -2.85 -1.24 -4.85 119.74 118.09 2cri s LYS 90 Ca 0.07 -0.56 -0.16 0.00 -1.00 0.00 0.00 55.97 54.32 2cri s LYS 90 Cb -0.23 -1.65 -0.17 0.00 -2.06 0.00 0.00 37.83 33.72 2cri s LYS 90 CO -0.04 0.10 -0.03 0.43 0.10 0.00 0.00 175.35 175.91 2cri n SER 91 N 3.64 1.93 0.06 0.03 7.64 -1.26 -4.95 113.62 120.71 2cri n SER 91 Ca -0.21 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2cri n SER 91 Cb 0.52 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 2cri n SER 91 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2cri n LYS 92 N -4.22 0.00 -4.27 1.43 5.02 -1.26 -5.03 118.16 109.83 2cri n LYS 92 Ca -0.42 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.53 2cri n LYS 92 Cb 0.81 -0.16 -0.08 0.00 -0.02 0.00 0.00 35.03 35.58 2cri n LYS 92 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2cri n HIS 93 N -3.11 -1.29 -4.40 2.13 8.25 -1.26 -4.93 115.22 110.61 2cri n HIS 93 Ca 0.00 0.51 -0.20 0.00 -0.26 0.00 0.00 57.72 57.77 2cri n HIS 93 Cb 0.00 -2.81 -0.10 0.00 1.12 0.00 0.00 29.99 28.20 2cri n HIS 93 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2cri s LYS 94 N -7.40 1.52 -0.10 -0.41 2.20 -1.26 -4.31 119.74 109.98 2cri s LYS 94 Ca 0.09 -1.79 -0.04 0.00 -0.36 0.00 0.00 55.97 53.87 2cri s LYS 94 Cb -0.05 -0.89 0.05 0.00 -1.51 0.00 0.00 37.83 35.43 2cri s LYS 94 CO 0.99 -0.08 0.21 0.12 -0.36 0.00 0.00 175.35 176.23 2cri s PHE 95 N -3.23 -0.28 0.06 4.03 2.19 0.23 -3.36 117.98 117.62 2cri s PHE 95 Ca 0.31 0.74 0.09 0.00 0.33 0.00 0.00 56.93 58.41 2cri s PHE 95 Cb 0.06 -0.12 -0.03 0.00 -1.31 0.00 0.00 43.02 41.62 2cri s PHE 95 CO 0.12 -0.28 -0.26 -1.64 1.83 0.00 0.00 175.22 174.99 2cri s MET 96 N 2.04 1.75 -0.04 10.12 -1.94 -1.09 -0.17 119.30 129.97 2cri s MET 96 Ca -0.01 -1.14 0.03 0.00 -1.71 0.00 0.00 55.69 52.86 2cri s MET 96 Cb -0.12 -1.98 0.00 0.00 2.01 0.00 0.00 34.83 34.74 2cri s MET 96 CO -0.07 0.50 -0.12 0.08 -0.01 0.00 0.00 175.02 175.40 2cri s VAL 97 N -0.86 1.03 0.03 -6.03 1.01 -0.93 -3.00 120.40 111.65 2cri s VAL 97 Ca 0.12 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 2cri s VAL 97 Cb -0.10 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2cri s VAL 97 CO 0.03 0.31 0.14 -1.10 0.00 0.00 0.00 175.10 174.48 2cri s GLN 98 N 0.23 3.20 -0.16 2.72 -0.21 -0.68 -0.68 119.66 124.07 2cri s GLN 98 Ca -0.05 -0.48 -0.08 0.00 0.02 0.00 0.00 55.36 54.76 2cri s GLN 98 Cb -0.11 -2.93 0.06 0.00 1.00 0.00 0.00 33.01 31.04 2cri s GLN 98 CO 0.01 0.63 0.39 0.95 -2.12 0.00 0.00 175.29 175.15 2cri s THR 99 N -1.35 -0.10 -0.08 -0.19 -4.23 0.41 -1.78 115.64 108.32 2cri s THR 99 Ca 0.28 0.11 -0.14 0.00 -1.18 0.00 0.00 61.69 60.76 2cri s THR 99 Cb -0.12 -0.59 0.03 0.00 1.34 0.00 0.00 72.50 73.16 2cri s THR 99 CO 0.20 0.05 0.35 -0.51 -0.54 0.00 0.00 174.62 174.17 2cri s ILE 100 N 1.54 0.03 0.70 2.99 2.07 0.41 -2.49 121.20 126.44 2cri s ILE 100 Ca -0.08 -0.22 -0.16 0.00 -1.41 0.00 0.00 60.65 58.78 2cri s ILE 100 Cb -0.09 -0.57 0.01 0.00 0.13 0.00 0.00 42.46 41.93 2cri s ILE 100 CO -0.12 -0.12 1.08 0.49 -1.91 0.00 0.00 174.94 174.36 2cri n PHE 101 N 2.09 1.09 -4.50 3.50 3.72 -1.26 0.67 117.46 122.77 2cri n PHE 101 Ca -0.17 0.41 -0.34 0.00 -0.05 0.00 0.00 57.45 57.30 2cri n PHE 101 Cb 0.57 -2.14 -0.11 0.00 -0.94 0.00 0.00 39.48 36.86 2cri n PHE 101 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2cri s ALA 102 N -1.71 3.04 0.97 4.37 0.00 -0.67 -4.51 121.76 123.26 2cri s ALA 102 Ca 0.76 -0.85 -0.12 0.00 0.00 0.00 0.00 51.96 51.75 2cri s ALA 102 Cb -0.35 -1.40 0.17 0.00 0.00 0.00 0.00 23.12 21.54 2cri s ALA 102 CO 0.47 0.44 1.09 -1.25 0.00 0.00 0.00 175.76 176.51 2cri s PRO 103 N -0.37 0.65 0.34 0.00 0.04 -1.26 -4.75 135.00 129.65 2cri s PRO 103 Ca 0.06 0.60 0.13 0.00 0.04 0.00 0.00 61.00 61.83 2cri s PRO 103 Cb -0.12 -1.76 0.61 0.00 0.04 0.00 0.00 34.50 33.27 2cri s PRO 103 CO 0.02 -2.60 1.75 -1.00 0.04 0.00 0.00 177.00 175.21 2cri h PRO 104 N -1.80 0.00 -2.28 0.56 0.13 -2.00 -3.30 132.00 123.31 2cri h PRO 104 Ca -0.53 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 63.98 2cri h PRO 104 Cb 1.32 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 32.04 2cri h PRO 104 CO 0.57 0.45 -0.44 0.09 -0.23 0.00 0.00 178.00 178.44 2cri n ASN 105 N -3.90 4.42 -4.40 1.44 3.02 -1.26 -5.02 115.26 109.56 2cri n ASN 105 Ca -0.01 -3.56 -0.44 0.00 -0.03 0.00 0.00 54.58 50.54 2cri n ASN 105 Cb 0.49 -0.69 -0.04 0.00 -0.61 0.00 0.00 39.78 38.93 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 -3.40 4.68 -0.18 2.41 2.07 -1.25 -4.87 121.20 120.66 2cri s ILE 106 Ca 0.43 -0.88 -0.16 0.00 -1.41 0.00 0.00 60.65 58.63 2cri s ILE 106 Cb 0.20 -4.57 -0.12 0.00 0.13 0.00 0.00 42.46 38.09 2cri s ILE 106 CO -0.06 -1.26 0.06 -1.28 -1.91 0.00 0.00 174.94 170.49 2cri h SER 107 N 9.24 0.00 -3.51 4.50 0.87 -1.95 -3.46 113.55 119.24 2cri h SER 107 Ca -0.25 -0.30 -0.67 0.00 -1.23 0.00 0.00 61.79 59.35 2cri h SER 107 Cb 1.08 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 62.76 2cri h SER 107 CO 1.12 1.14 -0.68 -1.81 -0.53 0.00 0.00 176.83 176.07 2cri s ASP 108 N -6.34 4.66 0.07 6.23 1.01 -1.26 -4.99 116.67 116.05 2cri s ASP 108 Ca -0.22 -0.58 -0.19 0.00 0.71 0.00 0.00 52.55 52.27 2cri s ASP 108 Cb 0.04 -1.79 -0.10 0.00 1.01 0.00 0.00 42.92 42.08 2cri s ASP 108 CO 0.42 -0.10 1.50 0.24 0.21 0.00 0.00 175.17 177.44 2cri h MET 109 N 8.14 0.39 -0.95 8.23 2.86 -2.01 -2.80 114.93 128.79 2cri h MET 109 Ca -0.36 -0.13 0.15 0.00 -2.06 0.00 0.00 59.70 57.31 2cri h MET 109 Cb 1.14 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.68 2cri h MET 109 CO 0.59 0.59 0.60 1.05 1.06 0.00 0.00 176.91 180.80 2cri h GLU 110 N 0.14 0.74 -0.21 1.72 4.11 -2.00 -1.36 114.58 117.73 2cri h GLU 110 Ca 0.06 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.42 2cri h GLU 110 Cb 0.42 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2cri h GLU 110 CO 0.01 0.49 0.03 0.00 0.07 0.00 0.00 179.01 179.62 2cri h ALA 111 N 1.59 0.27 0.03 1.06 0.00 -1.95 -2.45 119.26 117.82 2cri h ALA 111 Ca 0.50 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.26 2cri h ALA 111 Cb 0.75 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 2cri h ALA 111 CO -0.26 -0.05 -0.38 0.28 0.00 0.00 0.00 179.25 178.84 2cri h VAL 112 N 0.14 0.21 -0.88 0.00 2.07 -1.00 -0.08 116.25 116.71 2cri h VAL 112 Ca 0.06 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.70 2cri h VAL 112 Cb 0.31 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.23 2cri h VAL 112 CO 0.00 0.00 0.57 -0.50 0.02 0.00 0.00 177.57 177.66 2cri h TRP 113 N -0.56 0.88 0.21 1.57 4.06 -1.46 0.26 115.95 120.91 2cri h TRP 113 Ca 0.05 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.01 2cri h TRP 113 Cb 0.62 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 28.51 2cri h TRP 113 CO -0.37 0.36 -0.10 0.87 -3.56 0.00 0.00 178.44 175.64 2cri h LYS 114 N 0.77 -0.27 -0.24 0.49 1.57 -0.75 -2.97 116.57 115.17 2cri h LYS 114 Ca 0.43 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 59.15 2cri h LYS 114 Cb 0.57 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 2cri h LYS 114 CO -0.19 -0.07 -0.17 0.93 -0.57 0.00 0.00 179.45 179.38 2cri h GLU 115 N -0.43 0.42 -6.71 3.15 5.08 -0.42 -3.44 114.58 112.24 2cri h GLU 115 Ca -0.03 -0.13 -0.56 0.00 -1.00 0.00 0.00 59.36 57.64 2cri h GLU 115 Cb 0.33 -0.04 0.09 0.00 0.50 0.00 0.00 28.75 29.62 2cri h GLU 115 CO 0.05 0.59 0.74 0.00 -1.00 0.00 0.00 179.01 179.39 2cri n ALA 116 N -2.48 1.87 -2.69 3.43 0.00 0.84 -4.99 120.51 116.49 2cri n ALA 116 Ca 0.00 0.39 -0.29 0.00 0.00 0.00 0.00 53.44 53.54 2cri n ALA 116 Cb 0.34 -2.37 -0.04 0.00 0.00 0.00 0.00 19.45 17.38 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 -0.57 3.57 0.05 0.00 -0.14 -1.26 -4.94 119.74 116.44 2cri s LYS 117 Ca 0.65 -0.20 0.16 0.00 -1.36 0.00 0.00 55.97 55.21 2cri s LYS 117 Cb -0.56 -2.81 0.67 0.00 -1.68 0.00 0.00 37.83 33.45 2cri s LYS 117 CO 0.50 0.39 1.50 -0.35 -0.76 0.00 0.00 175.35 176.63 2cri n PRO 118 N -0.49 0.04 0.14 -1.68 -0.04 -1.26 -1.18 135.00 130.52 2cri n PRO 118 Ca -0.03 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 63.83 2cri n PRO 118 Cb 0.53 -1.57 0.15 0.00 -0.04 0.00 0.00 33.50 32.57 2cri n PRO 118 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2cri h ASP 119 N 0.00 0.00 0.00 3.54 1.82 -2.02 -3.33 116.42 116.43 2cri h ASP 119 Ca 0.00 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2cri h ASP 119 Cb 0.26 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.27 2cri h ASP 119 CO 0.00 0.02 -1.15 -0.62 -1.61 0.00 0.00 179.24 175.88 2cri n GLU 120 N -2.66 0.97 -2.42 0.28 -0.58 -0.90 -4.99 120.64 110.34 2cri n GLU 120 Ca 0.03 -0.05 -0.42 0.00 -0.42 0.00 0.00 57.16 56.29 2cri n GLU 120 Cb 0.51 -1.11 -0.03 0.00 -0.57 0.00 0.00 31.44 30.24 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 -3.29 4.32 -0.23 -4.62 1.43 -0.33 -4.99 118.68 110.98 2cri s LEU 121 Ca -0.02 1.94 -0.16 0.00 -1.03 0.00 0.00 54.13 54.86 2cri s LEU 121 Cb 0.05 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 2cri s LEU 121 CO 0.29 -0.55 0.42 -0.04 0.23 0.00 0.00 176.35 176.71 2cri s MET 122 N 1.72 4.12 0.35 1.70 -1.94 -1.04 -4.91 119.30 119.29 2cri s MET 122 Ca 0.58 0.21 0.08 0.00 -1.71 0.00 0.00 55.69 54.85 2cri s MET 122 Cb -0.27 -3.58 -0.04 0.00 2.01 0.00 0.00 34.83 32.94 2cri s MET 122 CO 0.26 -0.15 0.13 -0.51 -0.01 0.00 0.00 175.02 174.73 2cri s ASP 123 N 1.27 4.59 -0.06 3.03 1.11 -1.26 -0.45 116.67 124.90 2cri s ASP 123 Ca 0.19 -0.83 -0.01 0.00 0.18 0.00 0.00 52.55 52.09 2cri s ASP 123 Cb -0.15 -0.68 0.03 0.00 1.07 0.00 0.00 42.92 43.19 2cri s ASP 123 CO 0.09 -0.31 0.00 -0.55 1.18 0.00 0.00 175.17 175.58 2cri s SER 124 N -3.83 1.21 -0.31 0.27 0.15 0.14 -4.95 113.70 106.39 2cri s SER 124 Ca 0.38 -0.05 -0.25 0.00 0.70 0.00 0.00 55.95 56.72 2cri s SER 124 Cb -0.02 -0.36 0.01 0.00 -1.71 0.00 0.00 66.02 63.94 2cri s SER 124 CO 0.22 -0.17 0.89 -0.75 1.20 0.00 0.00 173.24 174.63 2cri s LYS 125 N 1.67 3.99 -0.02 5.44 2.20 -1.26 -2.19 119.74 129.58 2cri s LYS 125 Ca -0.00 0.75 0.01 0.00 -0.36 0.00 0.00 55.97 56.36 2cri s LYS 125 Cb -0.13 -3.73 0.01 0.00 -1.51 0.00 0.00 37.83 32.47 2cri s LYS 125 CO -0.04 -0.76 -0.02 -1.17 -0.36 0.00 0.00 175.35 173.01 2cri s LEU 126 N 3.19 1.59 -0.14 5.43 0.20 0.75 -5.00 118.68 124.71 2cri s LEU 126 Ca 0.37 -0.04 -0.02 0.00 0.69 0.00 0.00 54.13 55.13 2cri s LEU 126 Cb -0.13 -0.19 -0.02 0.00 -0.43 0.00 0.00 46.19 45.41 2cri s LEU 126 CO 0.13 -0.03 -0.07 -0.60 -0.29 0.00 0.00 176.35 175.49 2cri s ARG 127 N 0.47 3.47 -0.22 1.98 3.52 -1.26 0.77 118.95 127.68 2cri s ARG 127 Ca -0.05 -0.58 -0.29 0.00 -0.13 0.00 0.00 55.73 54.68 2cri s ARG 127 Cb -0.07 -2.78 -0.01 0.00 -1.56 0.00 0.00 34.95 30.52 2cri s ARG 127 CO -0.01 0.28 1.34 0.00 -0.81 0.00 0.00 175.30 176.10 2cri s VAL 129 N 4.07 5.27 -0.39 0.00 1.01 -0.76 -4.99 120.40 124.63 2cri s VAL 129 Ca 0.58 -0.01 -0.23 0.00 0.00 0.00 0.00 61.98 62.32 2cri s VAL 129 Cb -0.21 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.52 2cri s VAL 129 CO 0.20 0.07 0.76 -0.36 0.00 0.00 0.00 175.10 175.77 2cri s PHE 130 N 1.79 3.09 0.24 5.22 0.40 -1.26 -0.98 117.98 126.48 2cri s PHE 130 Ca 0.08 0.41 0.06 0.00 -0.60 0.00 0.00 56.93 56.88 2cri s PHE 130 Cb -0.17 -3.43 -0.03 0.00 0.51 0.00 0.00 43.02 39.90 2cri s PHE 130 CO 0.11 -0.78 0.27 -1.21 0.70 0.00 0.00 175.22 174.31 2cri s GLU 131 N 3.08 3.17 0.02 0.44 0.41 -0.65 -4.93 118.70 120.24 2cri s GLU 131 Ca 0.30 -0.91 0.02 0.00 -0.41 0.00 0.00 54.97 53.97 2cri s GLU 131 Cb -0.13 -2.72 -0.02 0.00 -1.78 0.00 0.00 34.13 29.48 2cri s GLU 131 CO 0.18 0.42 -0.07 -1.64 -0.49 0.00 0.00 175.26 173.66 2cri s MET 132 N -3.88 0.53 0.27 1.61 -1.94 -1.26 -3.03 119.30 111.59 2cri s MET 132 Ca 0.33 -0.51 0.05 0.00 -1.71 0.00 0.00 55.69 53.85 2cri s MET 132 Cb -0.08 -0.41 0.36 0.00 2.01 0.00 0.00 34.83 36.71 2cri s MET 132 CO 0.27 0.10 1.65 -1.00 -0.01 0.00 0.00 175.02 176.02 2cri h PRO 133 N 5.20 0.29 -0.65 2.03 0.13 -1.97 -3.30 132.00 133.74 2cri h PRO 133 Ca -0.33 -0.15 0.06 0.00 -0.87 0.00 0.00 66.00 64.71 2cri h PRO 133 Cb 1.20 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 2cri h PRO 133 CO 0.45 0.70 -0.39 -1.71 -0.23 0.00 0.00 178.00 176.82 2cri n ASN 134 N -3.99 -0.69 -2.71 1.44 2.85 -1.26 -4.85 115.26 106.05 2cri n ASN 134 Ca -0.02 1.46 -0.13 0.00 -0.11 0.00 0.00 54.58 55.79 2cri n ASN 134 Cb 0.52 -0.30 0.06 0.00 1.24 0.00 0.00 39.78 41.30 2cri n ASN 134 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2cri n GLU 135 N -4.48 -4.88 -0.00 1.20 2.13 -1.25 -4.94 120.64 108.42 2cri n GLU 135 Ca 0.01 0.60 0.09 0.00 0.66 0.00 0.00 57.16 58.52 2cri n GLU 135 Cb 0.17 -4.88 -0.11 0.00 0.27 0.00 0.00 31.44 26.89 2cri n GLU 135 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2cri n ASN 136 N -2.34 0.85 -0.45 4.31 2.85 -1.26 -4.31 115.26 114.91 2cri n ASN 136 Ca -0.16 -0.83 0.07 0.00 -0.11 0.00 0.00 54.58 53.55 2cri n ASN 136 Cb 0.60 1.10 0.18 0.00 1.24 0.00 0.00 39.78 42.91 2cri n ASN 136 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2cri n ASP 137 N -1.52 2.47 -4.81 1.20 9.92 -1.26 -5.02 116.55 117.52 2cri n ASP 137 Ca 0.03 -3.35 -0.38 0.00 -0.53 0.00 0.00 54.79 50.55 2cri n ASP 137 Cb 0.31 -0.50 -0.06 0.00 -0.64 0.00 0.00 41.12 40.24 2cri n ASP 137 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2cri s LYS 138 N -3.00 4.12 0.01 -1.24 2.47 -1.26 -4.98 119.74 115.86 2cri s LYS 138 Ca 0.37 0.61 0.00 0.00 -1.56 0.00 0.00 55.97 55.39 2cri s LYS 138 Cb 0.33 -3.25 0.00 0.00 -1.46 0.00 0.00 37.83 33.45 2cri s LYS 138 CO 0.01 0.61 0.00 -0.11 0.16 0.00 0.00 175.35 176.03 2cri n LEU 139 N 1.93 0.06 -4.30 5.43 0.00 -1.26 -5.14 117.00 113.71 2cri n LEU 139 Ca -0.11 0.02 -0.16 0.00 0.00 0.00 0.00 56.01 55.76 2cri n LEU 139 Cb 0.51 -0.01 -0.10 0.00 0.00 0.00 0.00 43.42 43.82 2cri n LEU 139 CO 0.40 -0.52 -0.29 0.54 0.00 0.00 0.00 177.39 177.52 2cri s ASN 140 N -4.77 1.36 -0.14 1.96 4.22 -1.26 -5.09 114.94 111.22 2cri s ASN 140 Ca 0.00 -1.30 -0.15 0.00 -2.14 0.00 0.00 52.86 49.28 2cri s ASN 140 Cb 0.00 0.11 -0.12 0.00 1.28 0.00 0.00 41.25 42.52 2cri s ASN 140 CO 0.00 -0.64 0.23 -2.24 -2.04 0.00 0.00 177.10 172.41 2cri h ASP 141 N 2.47 0.00 -4.09 3.54 2.03 -2.05 -3.46 116.42 114.86 2cri h ASP 141 Ca -0.38 -0.40 -0.53 0.00 -0.73 0.00 0.00 57.03 55.00 2cri h ASP 141 Cb 1.23 0.00 0.11 0.00 -0.83 0.00 0.00 39.33 39.84 2cri h ASP 141 CO 0.62 0.90 0.47 -0.55 -1.03 0.00 0.00 179.24 179.66 2cri s SER 142 N -6.05 5.27 0.05 4.15 0.15 -1.26 -5.03 113.70 110.98 2cri s SER 142 Ca -0.14 2.38 -0.28 0.00 0.70 0.00 0.00 55.95 58.61 2cri s SER 142 Cb 0.01 -2.60 0.09 0.00 -1.71 0.00 0.00 66.02 61.81 2cri s SER 142 CO 0.37 -1.54 0.97 -0.83 1.20 0.00 0.00 173.24 173.41 2cri s GLY 143 N -1.58 -0.35 0.10 9.45 0.00 -1.26 -5.01 107.32 108.66 2cri s GLY 143 Ca 0.76 0.64 0.18 0.00 0.00 0.00 0.00 44.72 46.30 2cri s GLY 143 CO 0.33 0.19 1.55 -1.55 0.00 0.00 0.00 173.10 173.62 2cri n PRO 144 N -0.35 0.07 -1.54 2.90 -0.04 -1.26 -4.85 135.00 129.93 2cri n PRO 144 Ca -0.07 0.32 -0.59 0.00 -0.04 0.00 0.00 63.50 63.12 2cri n PRO 144 Cb 0.61 -1.64 -0.08 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.78 0.38 -3.95 3.54 7.64 -1.26 -4.86 113.62 113.32 2cri n SER 145 Ca 0.03 1.16 -0.27 0.00 1.01 0.00 0.00 58.87 60.80 2cri n SER 145 Cb 0.19 -0.96 0.13 0.00 -1.01 0.00 0.00 64.21 62.56 2cri n SER 145 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2cri n SER 146 N 1.94 -2.70 0.00 6.43 2.88 -1.26 -5.22 113.62 115.68 2cri n SER 146 Ca 0.21 -0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2cri n SER 146 Cb 0.08 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 2cri n SER 146 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42