#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 3.94 -0.28 1.61 0.01 -1.26 -5.05 113.70 112.67 2cri s SER 2 Ca 0.00 -3.51 -0.18 0.00 1.31 0.00 0.00 55.95 53.57 2cri s SER 2 Cb 0.00 -1.32 0.08 0.00 0.21 0.00 0.00 66.02 64.99 2cri s SER 2 CO 0.00 -0.13 0.70 -0.55 0.41 0.00 0.00 173.24 173.67 2cri s SER 3 N -0.87 -0.90 0.00 2.44 0.15 -1.26 -5.14 113.70 108.12 2cri s SER 3 Ca 0.25 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.40 2cri s SER 3 Cb -0.06 1.41 0.00 0.00 -1.71 0.00 0.00 66.02 65.66 2cri s SER 3 CO -0.14 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.66 2cri n GLY 4 N 3.91 -1.69 3.12 9.45 0.00 -1.26 -5.02 105.19 113.70 2cri n GLY 4 Ca -0.19 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 2cri n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cri s SER 5 N -1.99 2.61 -0.16 1.61 1.04 -1.26 -5.08 113.70 110.46 2cri s SER 5 Ca 0.00 -0.47 -0.29 0.00 0.48 0.00 0.00 55.95 55.67 2cri s SER 5 Cb 0.00 -1.19 -0.07 0.00 0.10 0.00 0.00 66.02 64.86 2cri s SER 5 CO 0.00 0.07 2.15 -1.20 0.98 0.00 0.00 173.24 175.25 2cri n SER 6 N 3.90 3.40 0.00 7.02 7.64 -1.26 -4.80 113.62 129.52 2cri n SER 6 Ca -0.20 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2cri n SER 6 Cb 0.52 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 2cri n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cri n GLY 7 N 5.49 3.77 3.93 0.23 0.00 -1.26 -5.16 105.19 112.19 2cri n GLY 7 Ca 0.28 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.11 3.09 0.11 1.61 0.00 -1.26 -5.11 119.30 115.63 2cri s MET 8 Ca 0.00 -0.19 -0.26 0.00 0.00 0.00 0.00 55.69 55.24 2cri s MET 8 Cb 0.00 -2.42 0.07 0.00 0.00 0.00 0.00 34.83 32.48 2cri s MET 8 CO 0.00 -0.42 0.89 0.00 0.00 0.00 0.00 175.02 175.49 2cri s ALA 9 N -2.75 -1.67 0.47 3.16 0.00 -1.26 -5.19 121.76 114.51 2cri s ALA 9 Ca 0.50 0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.91 2cri s ALA 9 Cb -0.10 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 2cri s ALA 9 CO 0.42 -0.90 0.01 0.15 0.00 0.00 0.00 175.76 175.44 2cri s LYS 10 N -3.31 2.08 -0.40 0.00 -0.14 -1.26 -5.11 119.74 111.61 2cri s LYS 10 Ca 0.09 -2.28 -0.21 0.00 -1.36 0.00 0.00 55.97 52.20 2cri s LYS 10 Cb -0.02 -1.48 0.01 0.00 -1.68 0.00 0.00 37.83 34.66 2cri s LYS 10 CO -0.02 -0.26 0.69 -1.58 -0.76 0.00 0.00 175.35 173.41 2cri s HIS 11 N -2.86 3.09 -0.23 3.18 2.46 -1.26 -4.91 115.29 114.76 2cri s HIS 11 Ca 0.17 0.24 0.10 0.00 0.47 0.00 0.00 55.06 56.04 2cri s HIS 11 Cb 0.05 -3.34 0.43 0.00 -0.13 0.00 0.00 32.58 29.59 2cri s HIS 11 CO 0.09 -0.78 1.21 0.39 -2.47 0.00 0.00 174.74 173.18 2cri n GLU 12 N 6.30 2.17 -3.59 2.88 1.02 -1.26 -5.04 120.64 123.11 2cri n GLU 12 Ca 0.00 -3.55 -0.11 0.00 -0.02 0.00 0.00 57.16 53.48 2cri n GLU 12 Cb 0.48 -1.79 -0.01 0.00 -0.02 0.00 0.00 31.44 30.10 2cri n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2cri n GLN 13 N -0.98 0.71 -0.01 3.49 10.64 -1.26 -4.22 117.38 125.75 2cri n GLN 13 Ca 0.26 -2.30 0.01 0.00 -1.83 0.00 0.00 57.00 53.14 2cri n GLN 13 Cb 0.78 2.36 -0.04 0.00 -0.86 0.00 0.00 30.24 32.48 2cri n GLN 13 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.06 176.74 2cri n ILE 14 N -0.49 0.13 -3.50 -0.39 0.13 -1.26 -4.98 119.36 109.00 2cri n ILE 14 Ca -0.02 -0.15 -0.37 0.00 -1.10 0.00 0.00 62.75 61.11 2cri n ILE 14 Cb 0.51 -0.11 -0.08 0.00 -0.84 0.00 0.00 39.64 39.12 2cri n ILE 14 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 2cri s LEU 15 N -3.76 4.16 -0.74 9.51 1.43 -1.26 -4.09 118.68 123.94 2cri s LEU 15 Ca -0.02 0.40 -0.24 0.00 -1.03 0.00 0.00 54.13 53.24 2cri s LEU 15 Cb 0.03 -2.37 0.06 0.00 0.03 0.00 0.00 46.19 43.93 2cri s LEU 15 CO 0.21 0.00 1.15 -0.69 0.23 0.00 0.00 176.35 177.25 2cri s VAL 16 N 1.05 4.06 0.85 -1.59 1.01 -0.07 -4.91 120.40 120.80 2cri s VAL 16 Ca 0.15 -0.14 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 2cri s VAL 16 Cb -0.14 -4.82 0.11 0.00 0.00 0.00 0.00 36.38 31.53 2cri s VAL 16 CO 0.06 -1.67 1.12 -0.76 0.00 0.00 0.00 175.10 173.85 2cri s LEU 17 N 4.76 2.89 -0.26 3.92 1.02 -1.26 -1.79 118.68 127.96 2cri s LEU 17 Ca 0.30 2.00 -0.08 0.00 0.02 0.00 0.00 54.13 56.37 2cri s LEU 17 Cb -0.11 -4.52 0.12 0.00 0.02 0.00 0.00 46.19 41.70 2cri s LEU 17 CO 0.09 -2.63 0.56 -0.62 0.02 0.00 0.00 176.35 173.77 2cri s ASP 18 N -3.01 -0.81 0.24 2.29 2.15 -0.37 -2.74 116.67 114.42 2cri s ASP 18 Ca 0.64 1.29 -0.30 0.00 0.43 0.00 0.00 52.55 54.62 2cri s ASP 18 Cb -0.20 1.93 -0.09 0.00 -0.30 0.00 0.00 42.92 44.26 2cri s ASP 18 CO 0.57 -0.23 1.27 -2.16 -0.17 0.00 0.00 175.17 174.46 2cri s PRO 19 N 2.79 4.42 0.23 4.34 0.04 -1.26 -1.69 135.00 143.87 2cri s PRO 19 Ca -0.02 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.07 2cri s PRO 19 Cb -0.12 -3.17 0.24 0.00 0.04 0.00 0.00 34.50 31.49 2cri s PRO 19 CO -0.17 -0.16 1.60 -1.00 0.04 0.00 0.00 177.00 177.31 2cri h PRO 20 N 4.66 0.49 0.00 0.56 0.13 -1.89 -3.37 132.00 132.59 2cri h PRO 20 Ca -0.46 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 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 0.73 0.84 0.00 0.45 -0.23 0.00 0.00 178.00 179.78 2cri n SER 21 N -4.01 0.00 -3.90 1.44 2.88 -1.26 -4.94 113.62 103.82 2cri n SER 21 Ca -0.02 0.49 -0.10 0.00 -1.33 0.00 0.00 58.87 57.91 2cri n SER 21 Cb 0.53 -0.22 -0.10 0.00 -0.75 0.00 0.00 64.21 63.66 2cri n SER 21 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2cri s ASP 22 N -1.95 0.10 -0.55 -3.46 -4.77 -1.26 -4.30 116.67 100.49 2cri s ASP 22 Ca 0.00 -0.35 -0.19 0.00 -3.30 0.00 0.00 52.55 48.71 2cri s ASP 22 Cb 0.00 0.20 0.08 0.00 -1.09 0.00 0.00 42.92 42.11 2cri s ASP 22 CO 0.00 -0.41 0.67 -0.22 0.70 0.00 0.00 175.17 175.91 2cri s LEU 23 N -1.63 5.16 0.52 2.11 2.96 -0.70 -4.57 118.68 122.53 2cri s LEU 23 Ca -0.12 -1.16 -0.18 0.00 -0.22 0.00 0.00 54.13 52.44 2cri s LEU 23 Cb -0.06 -2.37 -0.07 0.00 0.50 0.00 0.00 46.19 44.19 2cri s LEU 23 CO -0.01 -1.00 1.03 -0.54 -1.32 0.00 0.00 176.35 174.51 2cri s LYS 24 N 2.67 3.71 -0.28 1.98 1.02 -1.26 -1.80 119.74 125.78 2cri s LYS 24 Ca 0.13 1.23 0.01 0.00 0.02 0.00 0.00 55.97 57.36 2cri s LYS 24 Cb -0.22 -2.09 0.08 0.00 -0.52 0.00 0.00 37.83 35.09 2cri s LYS 24 CO 0.09 -0.49 0.01 -0.06 -0.92 0.00 0.00 175.35 173.98 2cri s PHE 25 N -2.25 2.47 -0.04 3.18 0.40 0.17 -4.89 117.98 117.03 2cri s PHE 25 Ca 0.64 -2.00 -0.30 0.00 -0.60 0.00 0.00 56.93 54.68 2cri s PHE 25 Cb -0.15 -1.90 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 2cri s PHE 25 CO 0.26 -0.83 1.14 0.21 0.70 0.00 0.00 175.22 176.70 2cri s LYS 26 N 1.36 4.40 0.00 0.44 2.36 -1.26 -1.08 119.74 125.96 2cri s LYS 26 Ca 0.02 1.61 0.00 0.00 -2.55 0.00 0.00 55.97 55.05 2cri s LYS 26 Cb -0.18 -3.51 0.00 0.00 -1.05 0.00 0.00 37.83 33.09 2cri s LYS 26 CO -0.12 -0.35 0.00 0.41 1.55 0.00 0.00 175.35 176.84 2cri n GLY 27 N 3.25 -2.84 3.75 5.54 0.00 -1.04 -4.80 105.19 109.04 2cri n GLY 27 Ca 0.10 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 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 1.87 0.00 1.61 0.04 -1.26 -4.91 135.00 132.35 2cri s PRO 28 Ca 0.00 1.04 0.21 0.00 0.04 0.00 0.00 61.00 62.29 2cri s PRO 28 Cb 0.00 -1.86 0.65 0.00 0.04 0.00 0.00 34.50 33.32 2cri s PRO 28 CO 0.00 -1.87 1.50 1.19 0.04 0.00 0.00 177.00 177.85 2cri n PHE 29 N -3.66 0.28 0.42 0.56 3.72 -1.26 -3.74 117.46 113.77 2cri n PHE 29 Ca 0.08 -0.14 0.11 0.00 -0.05 0.00 0.00 57.45 57.45 2cri n PHE 29 Cb 0.54 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 39.25 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 0.63 0.39 -4.13 4.37 5.66 -1.26 -3.19 114.28 116.76 2cri n THR 30 Ca 0.17 -0.70 -0.12 0.00 -3.05 0.00 0.00 64.05 60.35 2cri n THR 30 Cb 0.40 1.08 -0.07 0.00 -1.55 0.00 0.00 70.33 70.19 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 -1.50 0.32 0.05 1.09 -1.08 -1.25 -4.95 116.67 109.35 2cri s ASP 31 Ca 0.33 -1.29 -0.31 0.00 -0.52 0.00 0.00 52.55 50.77 2cri s ASP 31 Cb 0.20 0.50 -0.08 0.00 -1.46 0.00 0.00 42.92 42.09 2cri s ASP 31 CO 0.29 -1.02 1.59 -0.69 0.52 0.00 0.00 175.17 175.86 2cri s VAL 32 N -3.89 3.20 0.10 1.11 1.01 -1.26 -3.88 120.40 116.78 2cri s VAL 32 Ca 0.33 0.63 0.02 0.00 0.00 0.00 0.00 61.98 62.95 2cri s VAL 32 Cb 0.03 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2cri s VAL 32 CO 0.14 -0.00 0.20 -0.69 0.00 0.00 0.00 175.10 174.75 2cri s VAL 33 N 2.58 5.17 -0.18 2.92 1.01 -0.89 -4.96 120.40 126.05 2cri s VAL 33 Ca 0.71 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 2cri s VAL 33 Cb -0.38 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.49 2cri s VAL 33 CO 0.31 0.06 0.01 -0.89 0.00 0.00 0.00 175.10 174.58 2cri s THR 34 N -1.57 0.72 -0.15 3.92 2.01 -1.26 -1.59 115.64 117.71 2cri s THR 34 Ca 0.34 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.72 2cri s THR 34 Cb -0.12 -1.12 -0.02 0.00 0.01 0.00 0.00 72.50 71.25 2cri s THR 34 CO 0.27 -0.11 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.13 2cri s THR 35 N 1.78 3.49 -0.26 -0.82 2.01 -0.70 -4.97 115.64 116.16 2cri s THR 35 Ca -0.01 -0.50 -0.16 0.00 0.31 0.00 0.00 61.69 61.34 2cri s THR 35 Cb -0.17 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 2cri s THR 35 CO -0.07 0.50 0.40 0.54 -0.69 0.00 0.00 174.62 175.30 2cri s ASN 36 N 0.47 6.31 -0.44 3.53 4.22 -1.26 -0.69 114.94 127.07 2cri s ASN 36 Ca -0.06 0.36 -0.16 0.00 -2.14 0.00 0.00 52.86 50.86 2cri s ASN 36 Cb -0.15 -2.23 0.04 0.00 1.28 0.00 0.00 41.25 40.20 2cri s ASN 36 CO 0.04 -0.19 0.37 -0.22 -2.04 0.00 0.00 177.10 175.05 2cri s LEU 37 N 2.04 5.28 0.25 3.54 0.20 -0.59 -4.87 118.68 124.53 2cri s LEU 37 Ca 0.17 -1.04 -0.30 0.00 0.69 0.00 0.00 54.13 53.65 2cri s LEU 37 Cb -0.16 -2.21 -0.09 0.00 -0.43 0.00 0.00 46.19 43.30 2cri s LEU 37 CO 0.10 -0.56 0.94 -0.54 -0.29 0.00 0.00 176.35 175.99 2cri s LYS 38 N 1.76 4.83 -0.25 1.98 1.02 -0.68 -1.81 119.74 126.59 2cri s LYS 38 Ca 0.06 1.47 -0.03 0.00 0.02 0.00 0.00 55.97 57.49 2cri s LYS 38 Cb -0.21 -3.23 0.08 0.00 -0.52 0.00 0.00 37.83 33.95 2cri s LYS 38 CO 0.09 0.50 0.08 -0.51 -0.92 0.00 0.00 175.35 174.58 2cri s LEU 39 N -1.27 1.32 0.19 3.17 1.43 -0.47 -1.24 118.68 121.81 2cri s LEU 39 Ca 0.42 -1.15 -0.18 0.00 -1.03 0.00 0.00 54.13 52.19 2cri s LEU 39 Cb -0.25 -0.61 -0.08 0.00 0.03 0.00 0.00 46.19 45.29 2cri s LEU 39 CO 0.31 -0.37 0.66 -1.58 0.23 0.00 0.00 176.35 175.60 2cri s GLN 40 N 1.85 4.16 -0.37 1.70 0.74 -0.74 -2.06 119.66 124.94 2cri s GLN 40 Ca 0.04 0.73 0.04 0.00 0.05 0.00 0.00 55.36 56.22 2cri s GLN 40 Cb -0.17 -2.91 0.10 0.00 1.10 0.00 0.00 33.01 31.13 2cri s GLN 40 CO -0.19 0.43 0.08 1.21 -0.55 0.00 0.00 175.29 176.28 2cri s ASN 41 N -1.65 4.75 0.19 6.67 3.84 -0.68 -0.89 114.94 127.16 2cri s ASN 41 Ca 0.41 -2.26 -0.05 0.00 0.21 0.00 0.00 52.86 51.17 2cri s ASN 41 Cb -0.16 -1.64 0.11 0.00 -0.55 0.00 0.00 41.25 39.00 2cri s ASN 41 CO 0.20 -0.37 1.54 1.55 -2.79 0.00 0.00 177.10 177.23 2cri h PRO 42 N 7.50 0.71 -7.02 0.43 0.13 -1.89 -2.46 132.00 129.41 2cri h PRO 42 Ca -0.05 -0.37 -0.40 0.00 -0.87 0.00 0.00 66.00 64.31 2cri h PRO 42 Cb 1.01 0.01 0.22 0.00 0.13 0.00 0.00 31.00 32.37 2cri h PRO 42 CO 0.55 0.99 -0.12 -1.13 -0.23 0.00 0.00 178.00 178.06 2cri n SER 43 N -4.03 -3.05 -0.72 1.44 3.41 -1.26 -4.71 113.62 104.69 2cri n SER 43 Ca -0.02 -0.54 0.04 0.00 -0.26 0.00 0.00 58.87 58.09 2cri n SER 43 Cb 0.54 -1.12 0.20 0.00 -0.26 0.00 0.00 64.21 63.56 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 -5.38 2.54 -3.92 4.04 8.00 -1.26 -2.95 116.55 117.63 2cri n ASP 44 Ca 0.08 -3.50 -0.10 0.00 0.71 0.00 0.00 54.79 51.97 2cri n ASP 44 Cb 0.57 -0.55 -0.12 0.00 -0.02 0.00 0.00 41.12 41.01 2cri n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cri s ARG 45 N -3.08 0.27 0.42 -1.24 1.70 -1.26 -4.80 118.95 110.95 2cri s ARG 45 Ca 0.40 -0.35 -0.25 0.00 -0.47 0.00 0.00 55.73 55.06 2cri s ARG 45 Cb 0.36 0.10 -0.10 0.00 -0.57 0.00 0.00 34.95 34.74 2cri s ARG 45 CO 0.01 -0.05 1.09 1.63 -1.08 0.00 0.00 175.30 176.89 2cri n LYS 46 N 2.02 1.51 -3.71 3.89 5.02 -1.26 -4.51 118.16 121.11 2cri n LYS 46 Ca -0.20 0.54 -0.22 0.00 -2.02 0.00 0.00 58.31 56.41 2cri n LYS 46 Cb 0.57 -2.14 -0.18 0.00 -0.02 0.00 0.00 35.03 33.26 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 -1.25 0.15 0.15 -0.18 1.01 -1.23 -0.44 120.40 118.61 2cri s VAL 47 Ca 0.63 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.48 2cri s VAL 47 Cb -0.55 -0.42 -0.07 0.00 0.00 0.00 0.00 36.38 35.35 2cri s VAL 47 CO 0.57 0.15 1.02 0.00 0.00 0.00 0.00 175.10 176.85 2cri s PHE 49 N -0.14 1.12 -0.06 0.00 -0.71 -0.94 -1.32 117.98 115.93 2cri s PHE 49 Ca 0.48 -0.56 0.01 0.00 -1.04 0.00 0.00 56.93 55.83 2cri s PHE 49 Cb -0.26 -0.62 0.02 0.00 -1.21 0.00 0.00 43.02 40.95 2cri s PHE 49 CO 0.32 0.03 -0.08 0.15 -1.34 0.00 0.00 175.22 174.30 2cri s LYS 50 N -2.29 1.29 -0.31 1.99 1.02 -1.01 -2.99 119.74 117.44 2cri s LYS 50 Ca 0.02 -0.25 -0.15 0.00 0.02 0.00 0.00 55.97 55.61 2cri s LYS 50 Cb -0.06 -1.17 -0.02 0.00 -0.52 0.00 0.00 37.83 36.05 2cri s LYS 50 CO 0.01 -0.05 0.34 0.08 -0.92 0.00 0.00 175.35 174.81 2cri s VAL 51 N 0.90 5.19 -0.01 3.17 1.01 -0.70 -2.51 120.40 127.44 2cri s VAL 51 Ca -0.11 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 2cri s VAL 51 Cb -0.15 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.49 2cri s VAL 51 CO 0.01 0.02 0.03 -1.59 0.00 0.00 0.00 175.10 173.57 2cri s LYS 52 N 2.00 0.02 0.04 2.72 0.00 -1.14 -4.90 119.74 118.48 2cri s LYS 52 Ca 0.12 0.08 -0.02 0.00 0.00 0.00 0.00 55.97 56.15 2cri s LYS 52 Cb -0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 37.83 37.60 2cri s LYS 52 CO 0.11 -0.04 0.01 -0.08 0.00 0.00 0.00 175.35 175.35 2cri s THR 53 N 0.28 0.16 0.52 3.79 -1.32 -1.26 -2.28 115.64 115.53 2cri s THR 53 Ca -0.02 -1.30 0.33 0.00 -1.21 0.00 0.00 61.69 59.49 2cri s THR 53 Cb -0.03 -0.93 0.33 0.00 -1.51 0.00 0.00 72.50 70.36 2cri s THR 53 CO -0.01 -0.72 2.01 0.71 -2.21 0.00 0.00 174.62 174.40 2cri h THR 54 N 3.77 0.00 -3.61 5.08 1.35 -1.97 -3.28 112.91 114.25 2cri h THR 54 Ca -0.33 0.00 -0.73 0.00 -0.55 0.00 0.00 66.41 64.80 2cri h THR 54 Cb 1.18 0.74 -0.32 0.00 -1.73 0.00 0.00 68.15 68.01 2cri h THR 54 CO 0.53 0.00 -0.18 0.00 -0.25 0.00 0.00 175.52 175.63 2cri s ALA 55 N -3.99 3.84 0.19 6.62 0.00 -1.26 -4.91 121.76 122.25 2cri s ALA 55 Ca -0.04 -3.38 -0.05 0.00 0.00 0.00 0.00 51.96 48.50 2cri s ALA 55 Cb 0.10 -2.96 0.12 0.00 0.00 0.00 0.00 23.12 20.38 2cri s ALA 55 CO 0.30 -2.17 1.55 -1.00 0.00 0.00 0.00 175.76 174.44 2cri h PRO 56 N 7.10 0.69 0.00 0.00 0.13 -1.78 -2.06 132.00 136.09 2cri h PRO 56 Ca 0.05 -0.36 -0.21 0.00 -0.87 0.00 0.00 66.00 64.60 2cri h PRO 56 Cb 0.96 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.07 2cri h PRO 56 CO 0.75 0.98 -1.24 0.54 -0.23 0.00 0.00 178.00 178.79 2cri n ARG 57 N -4.03 0.55 -0.22 0.86 3.00 -1.26 -4.36 116.66 111.19 2cri n ARG 57 Ca -0.02 0.54 0.01 0.00 -0.01 0.00 0.00 57.85 58.37 2cri n ARG 57 Cb 0.53 -1.71 0.12 0.00 0.00 0.00 0.00 32.46 31.40 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 0.44 -5.41 5.56 2.43 -1.96 -3.40 114.38 111.05 2cri h ARG 58 Ca -0.32 -0.03 -0.63 0.00 -0.81 0.00 0.00 59.98 58.19 2cri h ARG 58 Cb 1.19 -0.10 -0.17 0.00 -0.42 0.00 0.00 29.97 30.48 2cri h ARG 58 CO -0.19 0.29 -0.59 0.71 -1.51 0.00 0.00 179.97 178.68 2cri s TYR 59 N -6.08 3.21 -0.22 2.20 1.51 -0.77 -2.43 117.35 114.76 2cri s TYR 59 Ca -0.13 0.04 0.01 0.00 -1.01 0.00 0.00 57.07 55.98 2cri s TYR 59 Cb 0.18 -2.00 0.05 0.00 -0.11 0.00 0.00 41.96 40.08 2cri s TYR 59 CO 0.75 0.19 -0.09 0.00 -1.11 0.00 0.00 175.55 175.29 2cri s VAL 61 N 1.33 5.01 -0.09 0.00 1.01 -1.26 0.18 120.40 126.58 2cri s VAL 61 Ca -0.04 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 2cri s VAL 61 Cb -0.18 -3.32 0.05 0.00 0.00 0.00 0.00 36.38 32.94 2cri s VAL 61 CO -0.07 0.37 0.18 -0.60 0.00 0.00 0.00 175.10 174.98 2cri s ARG 62 N 0.97 0.06 0.56 2.72 3.52 0.21 -2.50 118.95 124.49 2cri s ARG 62 Ca 0.06 0.58 -0.19 0.00 -0.13 0.00 0.00 55.73 56.05 2cri s ARG 62 Cb -0.14 -0.22 -0.05 0.00 -1.56 0.00 0.00 34.95 32.98 2cri s ARG 62 CO 0.03 -0.29 1.13 -1.25 -0.81 0.00 0.00 175.30 174.11 2cri s PRO 63 N 2.20 3.29 0.12 5.12 0.04 -1.26 -0.56 135.00 143.94 2cri s PRO 63 Ca 0.01 1.59 0.21 0.00 0.04 0.00 0.00 61.00 62.85 2cri s PRO 63 Cb -0.12 -2.00 0.86 0.00 0.04 0.00 0.00 34.50 33.28 2cri s PRO 63 CO -0.06 -0.90 1.65 0.27 0.04 0.00 0.00 177.00 178.00 2cri n ASN 64 N -1.43 0.35 -3.65 6.66 0.23 -1.04 -4.84 115.26 111.54 2cri n ASN 64 Ca 0.11 0.57 0.00 0.00 -0.53 0.00 0.00 54.58 54.74 2cri n ASN 64 Cb 0.51 -0.65 0.01 0.00 -2.08 0.00 0.00 39.78 37.56 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 -3.65 -0.04 0.00 0.53 1.04 -1.26 -1.73 113.70 108.60 2cri s SER 65 Ca 0.07 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2cri s SER 65 Cb 0.11 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2cri s SER 65 CO 0.38 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2cri n GLY 66 N -0.67 -0.47 3.11 7.32 0.00 -1.16 -5.04 105.19 108.28 2cri n GLY 66 Ca -0.03 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 2cri n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cri s ILE 67 N -3.00 1.25 -0.27 -0.61 1.01 -1.26 -2.21 121.20 116.11 2cri s ILE 67 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 60.65 59.90 2cri s ILE 67 Cb 0.00 -1.07 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 2cri s ILE 67 CO 0.00 0.36 0.17 -0.63 0.00 0.00 0.00 174.94 174.84 2cri s ILE 68 N -0.11 5.19 0.55 2.92 1.01 -1.13 -4.95 121.20 124.68 2cri s ILE 68 Ca 0.01 0.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.59 2cri s ILE 68 Cb -0.09 -3.46 -0.07 0.00 0.01 0.00 0.00 42.46 38.85 2cri s ILE 68 CO 0.01 0.28 0.87 0.47 0.00 0.00 0.00 174.94 176.56 2cri n ASP 69 N 4.92 0.45 -4.59 3.58 8.00 -1.26 -3.51 116.55 124.13 2cri n ASP 69 Ca -0.14 0.84 -0.42 0.00 0.71 0.00 0.00 54.79 55.78 2cri n ASP 69 Cb 0.52 -1.33 -0.03 0.00 -0.02 0.00 0.00 41.12 40.27 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 -2.41 3.32 0.00 -0.24 0.04 -1.26 -2.74 135.00 131.70 2cri s PRO 70 Ca 0.71 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2cri s PRO 70 Cb -0.46 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 29.90 2cri s PRO 70 CO 0.51 -1.88 0.00 0.41 0.04 0.00 0.00 177.00 176.08 2cri n GLY 71 N 5.37 1.08 2.44 0.56 0.00 -0.92 -4.86 105.19 108.87 2cri n GLY 71 Ca 0.21 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 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 0.98 -0.13 -3.93 1.61 7.64 -1.11 -4.96 113.62 113.72 2cri n SER 72 Ca 0.00 -2.65 -0.19 0.00 1.01 0.00 0.00 58.87 57.04 2cri n SER 72 Cb 0.27 1.15 -0.16 0.00 -1.01 0.00 0.00 64.21 64.46 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 -2.95 0.56 -0.08 0.44 1.01 -1.26 -1.69 121.20 117.23 2cri s ILE 73 Ca 0.27 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.74 2cri s ILE 73 Cb 0.01 -0.54 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 2cri s ILE 73 CO 0.19 0.21 -0.13 -0.69 0.00 0.00 0.00 174.94 174.52 2cri s VAL 74 N 0.53 3.15 -0.32 2.92 1.01 -0.87 -4.93 120.40 121.88 2cri s VAL 74 Ca -0.07 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 2cri s VAL 74 Cb -0.11 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 34.03 2cri s VAL 74 CO 0.00 0.57 0.10 -0.89 0.00 0.00 0.00 175.10 174.88 2cri s THR 75 N -0.40 3.86 0.26 3.92 2.01 -1.26 -1.37 115.64 122.66 2cri s THR 75 Ca 0.05 -0.96 -0.06 0.00 0.31 0.00 0.00 61.69 61.03 2cri s THR 75 Cb -0.12 -3.11 -0.06 0.00 0.01 0.00 0.00 72.50 69.22 2cri s THR 75 CO 0.02 -0.08 0.54 -0.69 -0.69 0.00 0.00 174.62 173.72 2cri s VAL 76 N 1.44 5.01 -0.37 3.82 1.01 -0.75 -4.89 120.40 125.67 2cri s VAL 76 Ca 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 2cri s VAL 76 Cb -0.19 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.54 2cri s VAL 76 CO 0.03 -0.22 0.19 -0.44 0.00 0.00 0.00 175.10 174.66 2cri s SER 77 N -2.88 5.65 -0.55 3.32 0.01 0.27 -1.54 113.70 117.98 2cri s SER 77 Ca 0.45 -1.07 -0.09 0.00 1.31 0.00 0.00 55.95 56.54 2cri s SER 77 Cb -0.11 -1.99 0.14 0.00 0.21 0.00 0.00 66.02 64.27 2cri s SER 77 CO 0.27 -0.39 0.43 -0.69 0.41 0.00 0.00 173.24 173.27 2cri s VAL 78 N 1.51 4.36 -0.04 3.43 1.01 0.13 -0.62 120.40 130.19 2cri s VAL 78 Ca 0.01 -2.08 -0.28 0.00 0.00 0.00 0.00 61.98 59.63 2cri s VAL 78 Cb -0.20 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 2cri s VAL 78 CO 0.06 -0.83 0.91 -0.04 0.00 0.00 0.00 175.10 175.20 2cri s MET 79 N 0.95 4.50 -0.24 2.72 -1.94 0.13 -1.73 119.30 123.68 2cri s MET 79 Ca 0.09 1.27 0.02 0.00 -1.71 0.00 0.00 55.69 55.36 2cri s MET 79 Cb -0.23 -3.48 0.04 0.00 2.01 0.00 0.00 34.83 33.18 2cri s MET 79 CO -0.02 -0.08 -0.12 -1.17 -0.01 0.00 0.00 175.02 173.62 2cri s LEU 80 N 1.18 3.13 0.44 -0.03 1.98 -0.62 -0.45 118.68 124.32 2cri s LEU 80 Ca 0.47 -1.14 -0.25 0.00 -2.89 0.00 0.00 54.13 50.32 2cri s LEU 80 Cb -0.20 -1.56 -0.08 0.00 0.66 0.00 0.00 46.19 45.01 2cri s LEU 80 CO 0.23 -0.14 1.36 -1.10 -1.89 0.00 0.00 176.35 174.81 2cri s GLN 81 N 1.19 3.73 0.07 1.98 1.11 -1.02 -2.09 119.66 124.64 2cri s GLN 81 Ca -0.04 2.27 -0.31 0.00 0.01 0.00 0.00 55.36 57.29 2cri s GLN 81 Cb -0.18 -2.64 -0.07 0.00 -1.01 0.00 0.00 33.01 29.11 2cri s GLN 81 CO -0.07 -0.72 1.39 -1.25 0.01 0.00 0.00 175.29 174.65 2cri s PRO 82 N -2.43 4.31 0.31 2.91 0.04 -1.25 -4.91 135.00 133.98 2cri s PRO 82 Ca 0.61 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.71 2cri s PRO 82 Cb -0.41 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 30.72 2cri s PRO 82 CO 0.52 -0.48 0.14 -0.59 0.04 0.00 0.00 177.00 176.62 2cri s PHE 83 N 1.58 1.64 -0.96 0.56 -0.12 -1.19 -4.95 117.98 114.55 2cri s PHE 83 Ca 0.64 -1.30 -0.25 0.00 -0.05 0.00 0.00 56.93 55.98 2cri s PHE 83 Cb -0.35 -0.93 -0.09 0.00 -0.63 0.00 0.00 43.02 41.02 2cri s PHE 83 CO 0.29 -0.42 2.04 0.16 -0.05 0.00 0.00 175.22 177.23 2cri s ASP 84 N -3.40 4.77 -0.42 1.98 -4.77 -1.26 -4.81 116.67 108.75 2cri s ASP 84 Ca 0.35 -0.78 -0.27 0.00 -3.30 0.00 0.00 52.55 48.55 2cri s ASP 84 Cb 0.05 -2.57 -0.06 0.00 -1.09 0.00 0.00 42.92 39.25 2cri s ASP 84 CO 0.16 -3.17 2.34 -0.47 0.70 0.00 0.00 175.17 174.73 2cri s TYR 85 N 11.64 1.12 -0.59 2.11 5.04 -1.26 -4.90 117.35 130.51 2cri s TYR 85 Ca 0.75 1.27 -0.03 0.00 -2.44 0.00 0.00 57.07 56.61 2cri s TYR 85 Cb -0.06 -3.69 0.15 0.00 0.35 0.00 0.00 41.96 38.71 2cri s TYR 85 CO 0.05 -2.94 0.40 -0.51 -1.34 0.00 0.00 175.55 171.21 2cri s ASP 86 N 10.99 5.25 0.29 4.32 1.01 -1.26 -4.92 116.67 132.34 2cri s ASP 86 Ca 0.97 -2.71 0.08 0.00 0.71 0.00 0.00 52.55 51.60 2cri s ASP 86 Cb -0.21 -1.85 0.44 0.00 1.01 0.00 0.00 42.92 42.31 2cri s ASP 86 CO 0.28 -0.40 1.68 1.55 0.21 0.00 0.00 175.17 178.49 2cri h PRO 87 N 7.21 0.16 -0.59 8.23 0.13 -1.99 -3.14 132.00 142.00 2cri h PRO 87 Ca -0.04 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2cri h PRO 87 Cb 0.97 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.07 2cri h PRO 87 CO 0.71 0.60 0.39 -2.95 -0.23 0.00 0.00 178.00 176.52 2cri h ASN 88 N 0.13 0.69 -3.44 1.44 -1.07 -2.02 -3.40 115.58 107.91 2cri h ASN 88 Ca 0.01 -0.03 -0.60 0.00 0.07 0.00 0.00 56.30 55.75 2cri h ASN 88 Cb 0.89 -0.17 -0.11 0.00 -2.07 0.00 0.00 38.32 36.86 2cri h ASN 88 CO 0.07 0.51 -0.21 -0.70 0.07 0.00 0.00 177.43 177.16 2cri s GLU 89 N -6.12 4.20 -0.15 4.14 2.56 -1.19 -5.05 118.70 117.10 2cri s GLU 89 Ca -0.13 0.21 -0.29 0.00 0.00 0.00 0.00 54.97 54.75 2cri s GLU 89 Cb 0.13 -3.51 -0.01 0.00 2.00 0.00 0.00 34.13 32.74 2cri s GLU 89 CO 0.76 0.02 1.15 0.21 -0.56 0.00 0.00 175.26 176.83 2cri s LYS 90 N 1.13 4.29 0.69 4.30 2.20 -1.26 -4.84 119.74 126.25 2cri s LYS 90 Ca 0.19 1.54 -0.02 0.00 -0.36 0.00 0.00 55.97 57.32 2cri s LYS 90 Cb -0.14 -3.65 0.14 0.00 -1.51 0.00 0.00 37.83 32.66 2cri s LYS 90 CO 0.08 -0.58 0.95 0.43 -0.36 0.00 0.00 175.35 175.87 2cri n SER 91 N 6.01 1.05 -3.77 1.43 7.64 -1.26 -5.08 113.62 119.64 2cri n SER 91 Ca 0.12 -1.94 -0.29 0.00 1.01 0.00 0.00 58.87 57.77 2cri n SER 91 Cb 0.46 -0.64 -0.13 0.00 -1.01 0.00 0.00 64.21 62.90 2cri n SER 91 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2cri s LYS 92 N -4.97 1.65 -0.01 1.43 3.01 -1.26 -5.09 119.74 114.50 2cri s LYS 92 Ca 0.61 -2.44 0.03 0.00 -1.01 0.00 0.00 55.97 53.16 2cri s LYS 92 Cb -0.03 -2.68 -0.01 0.00 -1.01 0.00 0.00 37.83 34.10 2cri s LYS 92 CO 0.41 -1.20 -0.10 -1.58 0.51 0.00 0.00 175.35 173.39 2cri s HIS 93 N -0.21 0.93 0.01 3.18 2.46 -1.26 -5.06 115.29 115.33 2cri s HIS 93 Ca 0.21 -0.19 -0.09 0.00 0.47 0.00 0.00 55.06 55.46 2cri s HIS 93 Cb -0.17 -0.61 0.01 0.00 -0.13 0.00 0.00 32.58 31.68 2cri s HIS 93 CO -0.06 -0.03 0.18 0.21 -2.47 0.00 0.00 174.74 172.58 2cri s LYS 94 N -0.16 0.57 -0.03 2.88 2.36 -1.26 -4.64 119.74 119.46 2cri s LYS 94 Ca 0.03 -0.42 0.04 0.00 -2.55 0.00 0.00 55.97 53.07 2cri s LYS 94 Cb -0.05 0.24 -0.03 0.00 -1.05 0.00 0.00 37.83 36.95 2cri s LYS 94 CO -0.00 -0.15 -0.15 0.12 1.55 0.00 0.00 175.35 176.71 2cri s PHE 95 N -1.69 2.66 -0.08 4.03 5.36 0.11 -3.32 117.98 125.05 2cri s PHE 95 Ca -0.12 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 55.67 2cri s PHE 95 Cb -0.05 -1.59 0.02 0.00 -0.34 0.00 0.00 43.02 41.06 2cri s PHE 95 CO 0.01 0.19 -0.06 -1.64 -1.46 0.00 0.00 175.22 172.26 2cri s MET 96 N -0.87 1.17 -0.15 10.12 -1.94 -0.97 -1.92 119.30 124.74 2cri s MET 96 Ca 0.12 -0.16 0.02 0.00 -1.71 0.00 0.00 55.69 53.96 2cri s MET 96 Cb -0.11 -1.22 0.01 0.00 2.01 0.00 0.00 34.83 35.53 2cri s MET 96 CO 0.02 -0.17 -0.21 0.08 -0.01 0.00 0.00 175.02 174.72 2cri s VAL 97 N 1.37 2.02 0.09 -6.03 1.01 -1.08 -2.88 120.40 114.90 2cri s VAL 97 Ca -0.03 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 2cri s VAL 97 Cb -0.14 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2cri s VAL 97 CO -0.03 0.54 0.25 -1.58 0.00 0.00 0.00 175.10 174.28 2cri s GLN 98 N 0.93 3.48 -0.14 2.72 0.74 -1.04 -1.23 119.66 125.12 2cri s GLN 98 Ca -0.04 -0.38 -0.11 0.00 0.05 0.00 0.00 55.36 54.88 2cri s GLN 98 Cb -0.15 -2.99 0.04 0.00 1.10 0.00 0.00 33.01 31.01 2cri s GLN 98 CO -0.04 0.57 0.35 0.95 -0.55 0.00 0.00 175.29 176.57 2cri s THR 99 N -1.57 -0.01 -0.22 -0.34 -4.23 0.66 -2.40 115.64 107.54 2cri s THR 99 Ca 0.36 0.04 -0.20 0.00 -1.18 0.00 0.00 61.69 60.70 2cri s THR 99 Cb -0.13 -0.51 0.06 0.00 1.34 0.00 0.00 72.50 73.26 2cri s THR 99 CO 0.27 0.01 0.59 -0.51 -0.54 0.00 0.00 174.62 174.44 2cri s ILE 100 N 0.56 0.00 0.55 2.99 2.07 -0.44 -2.04 121.20 124.90 2cri s ILE 100 Ca -0.03 -0.00 -0.19 0.00 -1.41 0.00 0.00 60.65 59.01 2cri s ILE 100 Cb -0.05 -0.82 -0.08 0.00 0.13 0.00 0.00 42.46 41.65 2cri s ILE 100 CO -0.03 -0.00 0.75 0.49 -1.91 0.00 0.00 174.94 174.24 2cri n PHE 101 N 2.74 0.14 -4.02 3.50 3.72 -1.26 -0.57 117.46 121.70 2cri n PHE 101 Ca -0.14 0.47 -0.36 0.00 -0.05 0.00 0.00 57.45 57.37 2cri n PHE 101 Cb 0.56 -2.06 -0.08 0.00 -0.94 0.00 0.00 39.48 36.96 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 -1.56 3.58 0.71 4.37 0.00 0.42 -4.54 121.76 124.74 2cri s ALA 102 Ca 0.70 -0.71 -0.13 0.00 0.00 0.00 0.00 51.96 51.82 2cri s ALA 102 Cb -0.46 -1.86 0.03 0.00 0.00 0.00 0.00 23.12 20.83 2cri s ALA 102 CO 0.52 0.44 1.10 -1.25 0.00 0.00 0.00 175.76 176.57 2cri s PRO 103 N -0.45 2.54 -0.01 0.00 0.04 -1.26 -4.71 135.00 131.15 2cri s PRO 103 Ca 0.10 1.28 -0.25 0.00 0.04 0.00 0.00 61.00 62.18 2cri s PRO 103 Cb -0.12 -1.93 -0.19 0.00 0.04 0.00 0.00 34.50 32.30 2cri s PRO 103 CO 0.02 -1.44 1.28 -1.00 0.04 0.00 0.00 177.00 175.91 2cri h PRO 104 N -0.52 0.07 -1.77 0.56 0.13 -1.99 -3.22 132.00 125.26 2cri h PRO 104 Ca -0.45 -0.04 -0.29 0.00 -0.87 0.00 0.00 66.00 64.35 2cri h PRO 104 Cb 1.24 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.25 2cri h PRO 104 CO 0.53 0.54 0.24 0.27 -0.23 0.00 0.00 178.00 179.35 2cri n ASN 105 N -4.80 6.14 -4.66 1.44 6.94 -1.26 -4.93 115.26 114.13 2cri n ASN 105 Ca -0.08 -2.92 -0.42 0.00 -0.02 0.00 0.00 54.58 51.14 2cri n ASN 105 Cb 0.27 -1.15 -0.03 0.00 -2.36 0.00 0.00 39.78 36.51 2cri n ASN 105 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 2cri s ILE 106 N -1.50 3.73 -0.02 1.53 2.07 -1.22 -4.84 121.20 120.95 2cri s ILE 106 Ca 0.36 0.88 -0.00 0.00 -1.41 0.00 0.00 60.65 60.48 2cri s ILE 106 Cb 0.24 -3.58 -0.01 0.00 0.13 0.00 0.00 42.46 39.24 2cri s ILE 106 CO -0.05 -0.09 -0.02 -0.24 -1.91 0.00 0.00 174.94 172.63 2cri n SER 107 N 7.09 2.24 -4.08 4.50 2.88 -1.26 -5.02 113.62 119.98 2cri n SER 107 Ca 0.17 0.01 -0.31 0.00 -1.33 0.00 0.00 58.87 57.41 2cri n SER 107 Cb 0.43 -0.05 -0.16 0.00 -0.75 0.00 0.00 64.21 63.68 2cri n SER 107 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2cri s ASP 108 N -4.63 2.77 0.11 -3.46 1.01 -1.26 -5.03 116.67 106.18 2cri s ASP 108 Ca -0.03 -0.52 -0.24 0.00 0.71 0.00 0.00 52.55 52.48 2cri s ASP 108 Cb 0.01 -1.25 -0.08 0.00 1.01 0.00 0.00 42.92 42.60 2cri s ASP 108 CO 0.04 0.00 1.69 -0.03 0.21 0.00 0.00 175.17 177.08 2cri h MET 109 N 7.70 -0.20 -0.52 8.23 4.05 -2.00 -2.57 114.93 129.61 2cri h MET 109 Ca -0.36 0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.16 2cri h MET 109 Cb 1.16 0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.93 2cri h MET 109 CO 0.54 -0.13 0.12 1.05 0.23 0.00 0.00 176.91 178.72 2cri h GLU 110 N -0.21 0.26 -0.81 0.39 4.11 -1.98 -1.13 114.58 115.21 2cri h GLU 110 Ca 0.04 -0.02 0.16 0.00 0.07 0.00 0.00 59.36 59.61 2cri h GLU 110 Cb 0.26 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.35 2cri h GLU 110 CO -0.11 0.17 0.36 0.00 0.07 0.00 0.00 179.01 179.50 2cri h ALA 111 N 1.39 1.20 0.42 1.06 0.00 -1.90 0.47 119.26 121.91 2cri h ALA 111 Ca 0.26 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2cri h ALA 111 Cb 0.34 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2cri h ALA 111 CO -0.32 -0.19 -0.20 0.28 0.00 0.00 0.00 179.25 178.81 2cri h VAL 112 N 0.49 0.49 -0.09 0.00 2.07 -0.89 -1.03 116.25 117.28 2cri h VAL 112 Ca 0.46 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.52 2cri h VAL 112 Cb 0.72 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2cri h VAL 112 CO -0.41 0.08 0.09 -0.50 0.02 0.00 0.00 177.57 176.84 2cri h TRP 113 N -0.89 0.00 0.26 1.57 4.06 -0.81 0.13 115.95 120.27 2cri h TRP 113 Ca -0.06 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.88 2cri h TRP 113 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.72 2cri h TRP 113 CO 0.01 0.00 -0.12 0.87 -3.56 0.00 0.00 178.44 175.64 2cri h LYS 114 N 0.00 -0.33 -0.76 0.49 1.57 0.08 -3.31 116.57 114.31 2cri h LYS 114 Ca 0.04 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 2cri h LYS 114 Cb 0.22 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 2cri h LYS 114 CO -0.00 -0.11 0.50 0.93 -0.57 0.00 0.00 179.45 180.20 2cri h GLU 115 N -1.04 0.86 -6.28 3.15 5.08 -0.93 -3.43 114.58 111.99 2cri h GLU 115 Ca -0.04 -0.05 -0.68 0.00 -1.00 0.00 0.00 59.36 57.60 2cri h GLU 115 Cb 0.38 -0.19 0.05 0.00 0.50 0.00 0.00 28.75 29.49 2cri h GLU 115 CO 0.06 0.57 0.52 0.00 -1.00 0.00 0.00 179.01 179.15 2cri n ALA 116 N -2.43 -0.74 -2.55 3.43 0.00 0.01 -4.95 120.51 113.28 2cri n ALA 116 Ca 0.10 0.50 -0.29 0.00 0.00 0.00 0.00 53.44 53.75 2cri n ALA 116 Cb 0.16 -2.11 -0.04 0.00 0.00 0.00 0.00 19.45 17.46 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 0.78 3.65 0.00 0.00 -0.14 -1.26 -4.97 119.74 117.79 2cri s LYS 117 Ca 0.85 0.00 0.15 0.00 -1.36 0.00 0.00 55.97 55.61 2cri s LYS 117 Cb -0.94 -2.70 0.68 0.00 -1.68 0.00 0.00 37.83 33.19 2cri s LYS 117 CO 0.48 0.29 1.44 -0.35 -0.76 0.00 0.00 175.35 176.44 2cri n PRO 118 N -0.61 0.10 0.02 -1.68 -0.04 -1.26 -1.59 135.00 129.95 2cri n PRO 118 Ca -0.02 0.20 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 2cri n PRO 118 Cb 0.53 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.64 -0.00 3.54 9.92 -1.26 -4.13 116.55 123.86 2cri n ASP 119 Ca 0.05 -0.29 0.03 0.00 -0.53 0.00 0.00 54.79 54.05 2cri n ASP 119 Cb 0.14 0.72 -0.04 0.00 -0.64 0.00 0.00 41.12 41.29 2cri n ASP 119 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2cri n GLU 120 N -1.84 3.14 -2.68 -1.24 1.02 -0.83 -5.01 120.64 113.21 2cri n GLU 120 Ca 0.03 -0.02 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 2cri n GLU 120 Cb 0.41 -0.95 -0.05 0.00 -0.02 0.00 0.00 31.44 30.83 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 -2.74 4.58 -0.14 -4.62 1.43 -0.62 -4.96 118.68 111.61 2cri s LEU 121 Ca 0.01 1.97 -0.05 0.00 -1.03 0.00 0.00 54.13 55.02 2cri s LEU 121 Cb 0.05 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 2cri s LEU 121 CO 0.29 0.02 0.05 -0.04 0.23 0.00 0.00 176.35 176.90 2cri s MET 122 N -0.82 3.58 0.34 1.70 -1.94 -0.86 -4.96 119.30 116.34 2cri s MET 122 Ca 0.44 -0.34 0.10 0.00 -1.71 0.00 0.00 55.69 54.17 2cri s MET 122 Cb -0.26 -3.06 -0.06 0.00 2.01 0.00 0.00 34.83 33.45 2cri s MET 122 CO 0.33 0.47 -0.09 0.16 -0.01 0.00 0.00 175.02 175.89 2cri s ASP 123 N -0.21 3.79 -0.05 3.03 1.47 -1.26 -0.25 116.67 123.19 2cri s ASP 123 Ca 0.07 -1.16 -0.02 0.00 1.18 0.00 0.00 52.55 52.62 2cri s ASP 123 Cb -0.12 -0.37 0.04 0.00 -0.34 0.00 0.00 42.92 42.12 2cri s ASP 123 CO 0.02 -0.20 0.10 -0.94 0.68 0.00 0.00 175.17 174.83 2cri s SER 124 N -3.62 0.11 -0.20 2.11 1.04 -0.36 -4.72 113.70 108.05 2cri s SER 124 Ca 0.33 0.20 -0.23 0.00 0.48 0.00 0.00 55.95 56.73 2cri s SER 124 Cb 0.02 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 2cri s SER 124 CO 0.17 -0.16 0.74 -0.75 0.98 0.00 0.00 173.24 174.22 2cri s LYS 125 N 1.31 4.22 -0.01 4.02 2.20 -1.26 -2.64 119.74 127.59 2cri s LYS 125 Ca -0.07 0.82 0.00 0.00 -0.36 0.00 0.00 55.97 56.36 2cri s LYS 125 Cb -0.12 -3.60 0.01 0.00 -1.51 0.00 0.00 37.83 32.61 2cri s LYS 125 CO -0.05 -0.35 -0.00 -1.17 -0.36 0.00 0.00 175.35 173.42 2cri s LEU 126 N 2.26 1.65 -0.11 5.43 0.20 -0.81 -5.02 118.68 122.28 2cri s LEU 126 Ca 0.33 -0.01 -0.03 0.00 0.69 0.00 0.00 54.13 55.11 2cri s LEU 126 Cb -0.16 -0.10 -0.03 0.00 -0.43 0.00 0.00 46.19 45.46 2cri s LEU 126 CO 0.10 -0.03 -0.00 0.00 -0.29 0.00 0.00 176.35 176.12 2cri s ARG 127 N 0.39 3.19 -0.34 1.98 1.70 -1.26 0.07 118.95 124.69 2cri s ARG 127 Ca -0.03 -0.43 -0.14 0.00 -0.47 0.00 0.00 55.73 54.65 2cri s ARG 127 Cb -0.06 -2.84 -0.02 0.00 -0.57 0.00 0.00 34.95 31.46 2cri s ARG 127 CO -0.01 0.58 0.32 0.00 -1.08 0.00 0.00 175.30 175.11 2cri s VAL 129 N 1.93 4.35 -0.34 0.00 1.01 -0.75 -4.97 120.40 121.63 2cri s VAL 129 Ca 0.10 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 2cri s VAL 129 Cb -0.17 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 2cri s VAL 129 CO 0.11 0.56 0.22 -0.36 0.00 0.00 0.00 175.10 175.63 2cri s PHE 130 N -0.47 3.22 -0.05 5.22 0.40 -1.26 0.43 117.98 125.46 2cri s PHE 130 Ca 0.09 -0.39 -0.05 0.00 -0.60 0.00 0.00 56.93 55.98 2cri s PHE 130 Cb -0.12 -2.45 -0.04 0.00 0.51 0.00 0.00 43.02 40.92 2cri s PHE 130 CO 0.02 -0.42 0.18 -1.21 0.70 0.00 0.00 175.22 174.49 2cri s GLU 131 N 1.68 3.47 -0.07 0.44 2.02 -0.24 -4.90 118.70 121.09 2cri s GLU 131 Ca 0.05 -0.21 -0.17 0.00 0.02 0.00 0.00 54.97 54.67 2cri s GLU 131 Cb -0.18 -3.13 -0.05 0.00 0.10 0.00 0.00 34.13 30.88 2cri s GLU 131 CO 0.09 0.71 0.44 1.41 0.02 0.00 0.00 175.26 177.93 2cri s MET 132 N -1.57 4.19 0.00 1.61 -2.45 -1.26 -2.49 119.30 117.32 2cri s MET 132 Ca 0.23 0.42 0.15 0.00 -1.25 0.00 0.00 55.69 55.23 2cri s MET 132 Cb -0.13 -3.35 0.81 0.00 1.25 0.00 0.00 34.83 33.41 2cri s MET 132 CO 0.13 0.37 1.39 -0.35 1.05 0.00 0.00 175.02 177.60 2cri n PRO 133 N 2.95 0.30 0.25 4.11 -0.04 -1.26 -2.72 135.00 138.59 2cri n PRO 133 Ca -0.10 0.10 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 2cri n PRO 133 Cb 0.52 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 33.09 2cri n PRO 133 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2cri h ASN 134 N 0.00 0.00 -0.44 3.54 -0.26 -2.00 -2.92 115.58 113.51 2cri h ASN 134 Ca 0.00 0.00 -0.31 0.00 -0.56 0.00 0.00 56.30 55.43 2cri h ASN 134 Cb 0.09 0.00 -0.23 0.00 -1.06 0.00 0.00 38.32 37.12 2cri h ASN 134 CO 0.00 0.14 -0.55 -1.84 -1.06 0.00 0.00 177.43 174.12 2cri n GLU 135 N -3.37 2.63 -3.84 0.81 0.28 -1.10 -5.01 120.64 111.03 2cri n GLU 135 Ca -0.00 -3.71 -0.12 0.00 -0.16 0.00 0.00 57.16 53.17 2cri n GLU 135 Cb 0.34 -1.98 -0.12 0.00 1.43 0.00 0.00 31.44 31.11 2cri n GLU 135 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2cri s ASN 136 N -3.28 -0.08 -0.49 -1.84 0.01 -1.10 -5.06 114.94 103.10 2cri s ASN 136 Ca 0.46 0.10 -0.44 0.00 -0.71 0.00 0.00 52.86 52.27 2cri s ASN 136 Cb 0.40 0.26 -0.19 0.00 0.41 0.00 0.00 41.25 42.13 2cri s ASN 136 CO -0.01 -0.16 2.08 -0.90 -1.51 0.00 0.00 177.10 176.60 2cri n ASP 137 N 2.45 0.89 -4.46 -1.22 5.68 -1.26 -4.66 116.55 113.98 2cri n ASP 137 Ca -0.16 0.73 -0.46 0.00 -0.50 0.00 0.00 54.79 54.40 2cri n ASP 137 Cb 0.58 -0.92 -0.09 0.00 -1.14 0.00 0.00 41.12 39.55 2cri n ASP 137 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 2cri n LYS 138 N 7.11 0.60 -1.07 0.11 0.00 -1.26 -4.83 118.16 118.82 2cri n LYS 138 Ca 0.51 0.10 -0.36 0.00 0.00 0.00 0.00 58.31 58.57 2cri n LYS 138 Cb -0.03 -2.24 0.03 0.00 0.00 0.00 0.00 35.03 32.79 2cri n LYS 138 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2cri n LEU 139 N 10.96 -4.86 -4.18 3.14 -0.00 -1.26 -4.96 117.00 115.84 2cri n LEU 139 Ca 0.50 0.38 -0.32 0.00 -0.00 0.00 0.00 56.01 56.56 2cri n LEU 139 Cb 0.20 -0.77 -0.16 0.00 -0.00 0.00 0.00 43.42 42.68 2cri n LEU 139 CO 0.82 -5.33 -0.54 0.21 -0.00 0.00 0.00 177.39 172.54 2cri s ASN 140 N -0.97 3.13 -0.22 1.45 2.47 -1.26 -5.10 114.94 114.44 2cri s ASN 140 Ca 0.46 -0.60 0.02 0.00 0.42 0.00 0.00 52.86 53.16 2cri s ASN 140 Cb -0.31 -1.45 0.04 0.00 -1.45 0.00 0.00 41.25 38.08 2cri s ASN 140 CO 0.73 0.08 -0.16 -0.62 -3.72 0.00 0.00 177.10 173.42 2cri s ASP 141 N 0.79 3.71 -0.29 -4.21 -1.08 -1.26 -5.09 116.67 109.25 2cri s ASP 141 Ca -0.08 -0.99 -0.20 0.00 -0.52 0.00 0.00 52.55 50.77 2cri s ASP 141 Cb -0.16 -1.50 0.13 0.00 -1.46 0.00 0.00 42.92 39.94 2cri s ASP 141 CO -0.01 -0.09 0.98 -0.44 0.52 0.00 0.00 175.17 176.12 2cri s SER 142 N 1.21 -0.52 -0.04 -0.34 0.01 -1.26 -5.18 113.70 107.59 2cri s SER 142 Ca -0.01 0.90 -0.31 0.00 1.31 0.00 0.00 55.95 57.83 2cri s SER 142 Cb -0.16 1.07 0.12 0.00 0.21 0.00 0.00 66.02 67.26 2cri s SER 142 CO -0.09 -0.15 1.24 -0.83 0.41 0.00 0.00 173.24 173.82 2cri s GLY 143 N 0.85 -0.38 0.66 3.44 0.00 -1.26 -5.18 107.32 105.45 2cri s GLY 143 Ca -0.03 0.83 -0.11 0.00 0.00 0.00 0.00 44.72 45.41 2cri s GLY 143 CO -0.11 0.19 0.58 -1.55 0.00 0.00 0.00 173.10 172.21 2cri n PRO 144 N -0.41 -2.16 0.00 2.90 -0.04 -1.26 -5.05 135.00 128.99 2cri n PRO 144 Ca -0.07 -0.93 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 2cri n PRO 144 Cb 0.62 -0.87 0.00 0.00 -0.04 0.00 0.00 33.50 33.20 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 -4.00 0.76 -0.13 3.54 3.41 -1.26 -4.93 113.62 111.01 2cri n SER 145 Ca 0.08 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.44 2cri n SER 145 Cb 0.31 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.16 2cri n SER 145 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2cri n SER 146 N -2.39 1.97 0.00 4.04 3.41 -1.26 -5.38 113.62 114.01 2cri n SER 146 Ca 0.00 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2cri n SER 146 Cb 0.22 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 2cri n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49