#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cri n SER 2 N 0.00 2.12 0.04 1.61 3.41 -1.26 -4.93 113.62 114.62 2cri n SER 2 Ca 0.00 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.68 2cri n SER 2 Cb 0.00 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 62.49 2cri n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cri n SER 3 N 0.19 0.25 0.00 4.04 7.64 -1.26 -5.14 113.62 119.35 2cri n SER 3 Ca 0.08 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2cri n SER 3 Cb 0.40 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 2cri n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cri n GLY 4 N 2.48 1.04 3.70 0.23 0.00 -1.26 -5.07 105.19 106.31 2cri n GLY 4 Ca 0.00 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 2cri n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cri s SER 5 N 0.00 7.23 0.63 1.61 0.15 -1.26 -5.01 113.70 117.06 2cri s SER 5 Ca 0.00 1.75 -0.18 0.00 0.70 0.00 0.00 55.95 58.22 2cri s SER 5 Cb 0.00 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.73 2cri s SER 5 CO 0.00 -0.39 1.24 -0.44 1.20 0.00 0.00 173.24 174.85 2cri s SER 6 N 1.10 4.83 0.11 5.45 0.01 -1.25 -4.89 113.70 119.05 2cri s SER 6 Ca 0.54 2.47 -0.32 0.00 1.31 0.00 0.00 55.95 59.95 2cri s SER 6 Cb -0.23 -2.60 -0.11 0.00 0.21 0.00 0.00 66.02 63.28 2cri s SER 6 CO 0.26 -1.84 1.82 0.61 0.41 0.00 0.00 173.24 174.50 2cri n GLY 7 N 0.63 1.61 4.22 3.44 0.00 -1.26 -2.52 105.19 111.32 2cri n GLY 7 Ca 0.14 0.73 -0.32 0.00 0.00 0.00 0.00 46.02 46.58 2cri n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2cri n MET 8 N 5.57 -0.89 -3.65 1.61 2.81 -1.26 -4.90 117.12 116.41 2cri n MET 8 Ca 0.18 0.09 -0.14 0.00 -1.81 0.00 0.00 57.70 56.02 2cri n MET 8 Cb 0.36 -3.58 -0.08 0.00 -0.71 0.00 0.00 33.22 29.21 2cri n MET 8 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2cri s ALA 9 N -3.99 -1.51 -0.55 3.04 0.00 -1.05 -5.09 121.76 112.62 2cri s ALA 9 Ca 0.19 1.56 0.07 0.00 0.00 0.00 0.00 51.96 53.79 2cri s ALA 9 Cb -0.11 -0.76 0.28 0.00 0.00 0.00 0.00 23.12 22.52 2cri s ALA 9 CO 0.93 -0.30 0.73 1.17 0.00 0.00 0.00 175.76 178.30 2cri n LYS 10 N 2.35 2.11 -3.53 0.00 4.81 -1.26 -3.83 118.16 118.80 2cri n LYS 10 Ca -0.15 -4.26 -0.19 0.00 -0.87 0.00 0.00 58.31 52.83 2cri n LYS 10 Cb 0.56 -1.96 0.08 0.00 0.02 0.00 0.00 35.03 33.72 2cri n LYS 10 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2cri n HIS 11 N 0.72 -2.27 -0.66 5.64 -0.00 -1.26 -4.88 115.22 112.51 2cri n HIS 11 Ca 0.28 0.94 -0.17 0.00 -0.00 0.00 0.00 57.72 58.76 2cri n HIS 11 Cb 0.46 -4.92 0.06 0.00 -0.00 0.00 0.00 29.99 25.60 2cri n HIS 11 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2cri n GLU 12 N -4.33 1.83 -2.82 1.57 1.02 -1.26 -4.91 120.64 111.73 2cri n GLU 12 Ca -0.23 -1.73 -0.42 0.00 -0.02 0.00 0.00 57.16 54.76 2cri n GLU 12 Cb 0.65 -1.68 -0.04 0.00 -0.02 0.00 0.00 31.44 30.35 2cri n GLU 12 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2cri s GLN 13 N -1.97 4.21 0.22 3.49 2.00 -1.26 -4.93 119.66 121.41 2cri s GLN 13 Ca 0.34 1.07 -0.05 0.00 -2.00 0.00 0.00 55.36 54.72 2cri s GLN 13 Cb 0.27 -3.64 0.19 0.00 0.80 0.00 0.00 33.01 30.64 2cri s GLN 13 CO 0.02 -0.54 1.66 0.97 -0.50 0.00 0.00 175.29 176.90 2cri h ILE 14 N 5.42 1.26 -3.31 -2.34 6.09 -1.95 -3.42 117.51 119.27 2cri h ILE 14 Ca -0.22 -1.23 -0.57 0.00 -1.37 0.00 0.00 64.86 61.46 2cri h ILE 14 Cb 1.09 1.06 -0.07 0.00 0.47 0.00 0.00 36.82 39.36 2cri h ILE 14 CO 0.90 0.42 -0.09 -0.76 -3.07 0.00 0.00 178.15 175.55 2cri s LEU 15 N -9.04 4.31 -0.56 2.19 1.43 -1.26 -4.37 118.68 111.38 2cri s LEU 15 Ca -0.10 0.93 -0.21 0.00 -1.03 0.00 0.00 54.13 53.72 2cri s LEU 15 Cb 0.13 -2.78 0.06 0.00 0.03 0.00 0.00 46.19 43.64 2cri s LEU 15 CO 0.84 0.02 0.80 -0.69 0.23 0.00 0.00 176.35 177.54 2cri s VAL 16 N 0.43 4.61 0.65 -1.59 1.01 -0.45 -4.97 120.40 120.09 2cri s VAL 16 Ca 0.28 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 2cri s VAL 16 Cb -0.16 -4.48 -0.01 0.00 0.00 0.00 0.00 36.38 31.74 2cri s VAL 16 CO 0.13 -1.08 1.07 -0.76 0.00 0.00 0.00 175.10 174.46 2cri s LEU 17 N 3.31 3.33 -0.17 3.92 1.02 -1.26 -1.59 118.68 127.25 2cri s LEU 17 Ca 0.20 1.80 -0.05 0.00 0.02 0.00 0.00 54.13 56.11 2cri s LEU 17 Cb -0.18 -4.53 0.08 0.00 0.02 0.00 0.00 46.19 41.59 2cri s LEU 17 CO 0.13 -1.42 0.32 -1.81 0.02 0.00 0.00 176.35 173.58 2cri s ASP 18 N -3.06 0.22 0.24 2.29 1.01 -0.11 -1.81 116.67 115.45 2cri s ASP 18 Ca 0.63 0.63 -0.30 0.00 0.71 0.00 0.00 52.55 54.22 2cri s ASP 18 Cb -0.16 0.92 -0.09 0.00 1.01 0.00 0.00 42.92 44.59 2cri s ASP 18 CO 0.44 -0.25 1.27 -2.16 0.21 0.00 0.00 175.17 174.69 2cri s PRO 19 N 2.49 4.42 0.25 8.23 0.04 -1.26 -1.97 135.00 147.19 2cri s PRO 19 Ca 0.02 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.13 2cri s PRO 19 Cb -0.13 -3.16 0.29 0.00 0.04 0.00 0.00 34.50 31.54 2cri s PRO 19 CO -0.11 -0.16 1.62 -1.00 0.04 0.00 0.00 177.00 177.40 2cri h PRO 20 N 4.61 0.41 0.00 0.56 0.13 -1.73 -3.37 132.00 132.61 2cri h PRO 20 Ca -0.46 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 2cri h PRO 20 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2cri h PRO 20 CO 0.72 0.78 0.00 0.43 -0.23 0.00 0.00 178.00 179.70 2cri n SER 21 N -4.00 0.00 -3.90 1.44 7.64 -1.26 -4.94 113.62 108.60 2cri n SER 21 Ca -0.02 0.44 -0.10 0.00 1.01 0.00 0.00 58.87 60.20 2cri n SER 21 Cb 0.52 -0.23 -0.10 0.00 -1.01 0.00 0.00 64.21 63.39 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 -1.96 0.09 -0.56 6.43 1.01 -1.26 -4.39 116.67 116.03 2cri s ASP 22 Ca 0.00 -0.35 -0.18 0.00 0.71 0.00 0.00 52.55 52.73 2cri s ASP 22 Cb 0.00 0.21 0.10 0.00 1.01 0.00 0.00 42.92 44.23 2cri s ASP 22 CO 0.00 -0.42 0.64 -0.22 0.21 0.00 0.00 175.17 175.38 2cri s LEU 23 N -1.68 5.42 0.11 1.23 2.96 -1.17 -4.57 118.68 120.99 2cri s LEU 23 Ca -0.11 -1.37 -0.23 0.00 -0.22 0.00 0.00 54.13 52.19 2cri s LEU 23 Cb -0.05 -2.31 -0.07 0.00 0.50 0.00 0.00 46.19 44.26 2cri s LEU 23 CO -0.01 -1.01 0.71 -0.54 -1.32 0.00 0.00 176.35 174.18 2cri s LYS 24 N 2.48 4.44 -0.15 1.98 1.02 -1.26 -1.12 119.74 127.14 2cri s LYS 24 Ca 0.11 1.00 -0.02 0.00 0.02 0.00 0.00 55.97 57.08 2cri s LYS 24 Cb -0.24 -3.28 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 2cri s LYS 24 CO 0.07 0.52 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.87 2cri s PHE 25 N -0.84 2.93 -0.27 3.18 0.40 -0.51 -4.95 117.98 117.91 2cri s PHE 25 Ca 0.34 -0.47 -0.19 0.00 -0.60 0.00 0.00 56.93 56.01 2cri s PHE 25 Cb -0.21 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.39 2cri s PHE 25 CO 0.23 -0.13 0.58 0.21 0.70 0.00 0.00 175.22 176.81 2cri s LYS 26 N 0.38 4.04 0.00 0.44 2.20 -1.26 -1.95 119.74 123.58 2cri s LYS 26 Ca -0.07 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 2cri s LYS 26 Cb -0.15 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 2cri s LYS 26 CO 0.04 -0.43 0.00 0.41 -0.36 0.00 0.00 175.35 175.01 2cri n GLY 27 N 4.33 -2.29 3.77 5.54 0.00 -1.13 -4.89 105.19 110.52 2cri n GLY 27 Ca -0.02 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.34 2.26 -0.04 1.61 0.04 -1.26 -4.62 135.00 132.65 2cri s PRO 28 Ca 0.00 1.17 0.14 0.00 0.04 0.00 0.00 61.00 62.35 2cri s PRO 28 Cb 0.00 -1.90 0.47 0.00 0.04 0.00 0.00 34.50 33.11 2cri s PRO 28 CO 0.00 -1.64 1.36 1.19 0.04 0.00 0.00 177.00 177.94 2cri n PHE 29 N -3.51 0.86 1.79 0.56 3.72 -1.26 -4.17 117.46 115.45 2cri n PHE 29 Ca 0.09 -0.37 0.00 0.00 -0.05 0.00 0.00 57.45 57.12 2cri n PHE 29 Cb 0.53 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 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 0.80 0.00 -3.75 4.37 5.66 -1.26 -3.04 114.28 117.06 2cri n THR 30 Ca 0.17 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.14 2cri n THR 30 Cb 0.55 -0.10 -0.01 0.00 -1.55 0.00 0.00 70.33 69.21 2cri n THR 30 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2cri s ASP 31 N -0.80 -0.16 -0.04 1.09 2.15 -1.26 -4.99 116.67 112.66 2cri s ASP 31 Ca 0.00 -0.40 -0.34 0.00 0.43 0.00 0.00 52.55 52.24 2cri s ASP 31 Cb 0.00 0.47 -0.12 0.00 -0.30 0.00 0.00 42.92 42.97 2cri s ASP 31 CO 0.00 -0.88 1.84 0.52 -0.17 0.00 0.00 175.17 176.49 2cri n VAL 32 N -0.48 0.50 -4.08 1.11 0.31 -1.26 -4.04 118.33 110.39 2cri n VAL 32 Ca -0.06 -0.09 -0.35 0.00 -0.01 0.00 0.00 64.34 63.83 2cri n VAL 32 Cb 0.61 -1.86 -0.07 0.00 -0.91 0.00 0.00 33.84 31.61 2cri n VAL 32 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2cri s VAL 33 N 3.60 4.93 -0.13 2.52 1.01 0.75 -4.96 120.40 128.12 2cri s VAL 33 Ca 0.90 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2cri s VAL 33 Cb -0.67 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 2cri s VAL 33 CO 0.49 0.49 -0.15 -0.89 0.00 0.00 0.00 175.10 175.04 2cri s THR 34 N -1.09 2.89 -0.09 3.92 2.01 -1.26 0.44 115.64 122.46 2cri s THR 34 Ca 0.19 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.47 2cri s THR 34 Cb -0.12 -2.20 0.02 0.00 0.01 0.00 0.00 72.50 70.21 2cri s THR 34 CO 0.09 0.53 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.58 2cri s THR 35 N 0.41 0.94 -0.21 -0.82 2.01 -0.75 -4.93 115.64 112.29 2cri s THR 35 Ca -0.11 -0.28 -0.20 0.00 0.31 0.00 0.00 61.69 61.41 2cri s THR 35 Cb -0.16 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 2cri s THR 35 CO 0.06 0.34 0.60 0.20 -0.69 0.00 0.00 174.62 175.13 2cri s ASN 36 N 1.44 6.62 -0.39 3.53 0.01 -1.26 -0.25 114.94 124.63 2cri s ASN 36 Ca -0.01 0.75 -0.11 0.00 -0.71 0.00 0.00 52.86 52.79 2cri s ASN 36 Cb -0.13 -2.33 0.05 0.00 0.41 0.00 0.00 41.25 39.24 2cri s ASN 36 CO -0.05 -0.28 0.24 -0.22 -1.51 0.00 0.00 177.10 175.28 2cri s LEU 37 N 2.01 4.91 -0.02 0.60 0.20 0.68 -4.88 118.68 122.18 2cri s LEU 37 Ca 0.27 -1.16 -0.30 0.00 0.69 0.00 0.00 54.13 53.62 2cri s LEU 37 Cb -0.16 -2.03 -0.03 0.00 -0.43 0.00 0.00 46.19 43.55 2cri s LEU 37 CO 0.10 -0.45 1.00 -0.54 -0.29 0.00 0.00 176.35 176.16 2cri s LYS 38 N 1.52 4.53 -0.31 1.98 1.02 -0.83 -1.26 119.74 126.39 2cri s LYS 38 Ca 0.02 1.43 0.03 0.00 0.02 0.00 0.00 55.97 57.47 2cri s LYS 38 Cb -0.21 -3.47 0.09 0.00 -0.52 0.00 0.00 37.83 33.72 2cri s LYS 38 CO 0.05 -0.12 -0.00 -0.51 -0.92 0.00 0.00 175.35 173.86 2cri s LEU 39 N 1.23 4.10 0.08 3.17 1.43 0.48 -0.94 118.68 128.23 2cri s LEU 39 Ca 0.52 -1.84 -0.23 0.00 -1.03 0.00 0.00 54.13 51.54 2cri s LEU 39 Cb -0.21 -1.54 -0.06 0.00 0.03 0.00 0.00 46.19 44.41 2cri s LEU 39 CO 0.26 -0.31 0.71 -1.58 0.23 0.00 0.00 176.35 175.65 2cri s GLN 40 N 1.03 4.44 -0.39 1.70 0.74 -0.62 -1.69 119.66 124.87 2cri s GLN 40 Ca 0.04 0.99 0.01 0.00 0.05 0.00 0.00 55.36 56.45 2cri s GLN 40 Cb -0.19 -3.31 0.11 0.00 1.10 0.00 0.00 33.01 30.72 2cri s GLN 40 CO -0.08 0.44 0.14 1.21 -0.55 0.00 0.00 175.29 176.45 2cri s ASN 41 N -0.57 4.95 0.23 6.67 3.84 -0.87 -1.34 114.94 127.85 2cri s ASN 41 Ca 0.35 -2.20 0.00 0.00 0.21 0.00 0.00 52.86 51.22 2cri s ASN 41 Cb -0.21 -1.72 0.26 0.00 -0.55 0.00 0.00 41.25 39.03 2cri s ASN 41 CO 0.22 -0.43 1.60 1.55 -2.79 0.00 0.00 177.10 177.25 2cri h PRO 42 N 7.67 0.47 -7.13 0.43 0.13 -1.89 -2.82 132.00 128.86 2cri h PRO 42 Ca -0.08 -0.25 -0.53 0.00 -0.87 0.00 0.00 66.00 64.28 2cri h PRO 42 Cb 1.02 0.01 0.20 0.00 0.13 0.00 0.00 31.00 32.36 2cri h PRO 42 CO 0.61 0.82 0.04 -1.13 -0.23 0.00 0.00 178.00 178.11 2cri n SER 43 N -4.01 -0.15 -2.34 1.44 3.41 -1.26 -4.71 113.62 106.00 2cri n SER 43 Ca -0.02 0.43 -0.32 0.00 -0.26 0.00 0.00 58.87 58.70 2cri n SER 43 Cb 0.52 -1.42 0.05 0.00 -0.26 0.00 0.00 64.21 63.11 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 -3.34 6.72 -3.56 4.04 8.00 -1.26 -2.91 116.55 124.25 2cri n ASP 44 Ca 0.11 -3.78 -0.16 0.00 0.71 0.00 0.00 54.79 51.66 2cri n ASP 44 Cb 0.52 -0.78 -0.06 0.00 -0.02 0.00 0.00 41.12 40.78 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 -3.78 0.97 0.28 -1.24 1.70 -1.26 -4.91 118.95 110.71 2cri s ARG 45 Ca 0.58 0.52 -0.28 0.00 -0.47 0.00 0.00 55.73 56.09 2cri s ARG 45 Cb 0.47 0.46 -0.15 0.00 -0.57 0.00 0.00 34.95 35.16 2cri s ARG 45 CO -0.07 -0.25 0.86 1.63 -1.08 0.00 0.00 175.30 176.40 2cri n LYS 46 N 1.54 0.97 -3.70 3.89 4.76 -1.26 -4.51 118.16 119.85 2cri n LYS 46 Ca -0.17 0.34 -0.18 0.00 -2.87 0.00 0.00 58.31 55.43 2cri n LYS 46 Cb 0.56 -1.62 -0.17 0.00 -1.84 0.00 0.00 35.03 31.96 2cri n LYS 46 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2cri s VAL 47 N -1.08 -0.12 0.57 -0.18 1.01 -1.22 -0.25 120.40 119.13 2cri s VAL 47 Ca 0.60 0.36 -0.14 0.00 0.00 0.00 0.00 61.98 62.80 2cri s VAL 47 Cb -0.75 -0.17 -0.06 0.00 0.00 0.00 0.00 36.38 35.41 2cri s VAL 47 CO 0.59 0.15 1.01 0.00 0.00 0.00 0.00 175.10 176.85 2cri s PHE 49 N -2.88 -0.73 -0.16 0.00 -0.71 -0.91 -1.42 117.98 111.18 2cri s PHE 49 Ca 0.57 1.66 0.02 0.00 -1.04 0.00 0.00 56.93 58.14 2cri s PHE 49 Cb -0.11 0.31 0.01 0.00 -1.21 0.00 0.00 43.02 42.03 2cri s PHE 49 CO 0.42 -0.36 -0.21 0.15 -1.34 0.00 0.00 175.22 173.88 2cri s LYS 50 N 0.72 3.03 -0.54 1.99 1.02 -0.81 -2.83 119.74 122.32 2cri s LYS 50 Ca -0.03 -0.84 -0.24 0.00 0.02 0.00 0.00 55.97 54.88 2cri s LYS 50 Cb -0.05 -2.50 0.04 0.00 -0.52 0.00 0.00 37.83 34.80 2cri s LYS 50 CO -0.05 -0.08 0.92 0.08 -0.92 0.00 0.00 175.35 175.29 2cri s VAL 51 N 0.99 4.43 -0.07 3.17 1.01 -0.66 -2.75 120.40 126.52 2cri s VAL 51 Ca -0.03 0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.23 2cri s VAL 51 Cb -0.15 -4.51 0.01 0.00 0.00 0.00 0.00 36.38 31.73 2cri s VAL 51 CO -0.06 -1.07 -0.12 -0.54 0.00 0.00 0.00 175.10 173.32 2cri s LYS 52 N 3.84 1.66 0.11 2.72 1.02 -1.23 -4.91 119.74 122.95 2cri s LYS 52 Ca 0.30 -0.39 -0.02 0.00 0.02 0.00 0.00 55.97 55.87 2cri s LYS 52 Cb -0.13 -1.39 -0.03 0.00 -0.52 0.00 0.00 37.83 35.75 2cri s LYS 52 CO 0.19 0.01 0.07 -0.08 -0.92 0.00 0.00 175.35 174.61 2cri s THR 53 N 0.73 0.13 -1.44 2.17 -1.32 -1.26 -3.19 115.64 111.46 2cri s THR 53 Ca -0.13 -1.79 0.10 0.00 -1.21 0.00 0.00 61.69 58.66 2cri s THR 53 Cb -0.16 -1.85 0.18 0.00 -1.51 0.00 0.00 72.50 69.17 2cri s THR 53 CO 0.03 -0.60 1.22 0.35 -2.21 0.00 0.00 174.62 173.41 2cri n THR 54 N -0.05 0.74 -3.62 5.08 -2.24 -1.20 -3.99 114.28 108.99 2cri n THR 54 Ca -0.08 0.18 -0.37 0.00 -2.27 0.00 0.00 64.05 61.51 2cri n THR 54 Cb 0.63 -1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 67.78 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 -2.56 4.12 0.04 6.98 0.00 -1.26 -4.90 121.76 124.18 2cri s ALA 55 Ca 0.10 -3.69 -0.20 0.00 0.00 0.00 0.00 51.96 48.17 2cri s ALA 55 Cb 0.07 -2.87 -0.14 0.00 0.00 0.00 0.00 23.12 20.18 2cri s ALA 55 CO 0.16 -2.15 1.35 -1.00 0.00 0.00 0.00 175.76 174.12 2cri h PRO 56 N 6.37 0.37 0.02 0.00 0.13 -1.80 -2.76 132.00 134.35 2cri h PRO 56 Ca 0.12 -0.20 -0.38 0.00 -0.87 0.00 0.00 66.00 64.67 2cri h PRO 56 Cb 0.86 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.94 2cri h PRO 56 CO 0.82 0.75 -2.13 0.54 -0.23 0.00 0.00 178.00 177.76 2cri n ARG 57 N -4.54 0.62 -0.29 0.86 1.74 -1.26 -4.36 116.66 109.43 2cri n ARG 57 Ca -0.06 0.32 0.11 0.00 -0.77 0.00 0.00 57.85 57.44 2cri n ARG 57 Cb 0.37 -1.60 0.34 0.00 -1.02 0.00 0.00 32.46 30.55 2cri n ARG 57 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2cri h ARG 58 N -0.62 0.75 -5.45 5.56 3.08 -1.95 -3.40 114.38 112.35 2cri h ARG 58 Ca -0.55 -0.05 -0.66 0.00 0.07 0.00 0.00 59.98 58.80 2cri h ARG 58 Cb 1.66 -0.17 -0.24 0.00 0.08 0.00 0.00 29.97 31.30 2cri h ARG 58 CO -0.22 0.50 -0.73 0.71 -1.07 0.00 0.00 179.97 179.15 2cri s TYR 59 N -5.76 2.87 -0.46 3.04 1.51 -1.04 -2.49 117.35 115.02 2cri s TYR 59 Ca -0.10 -0.46 0.03 0.00 -1.01 0.00 0.00 57.07 55.53 2cri s TYR 59 Cb 0.22 -1.85 0.12 0.00 -0.11 0.00 0.00 41.96 40.35 2cri s TYR 59 CO 0.79 -0.09 0.21 0.00 -1.11 0.00 0.00 175.55 175.36 2cri s VAL 61 N 0.12 5.02 -0.13 0.00 1.01 -1.26 0.19 120.40 125.34 2cri s VAL 61 Ca 0.16 1.40 -0.05 0.00 0.00 0.00 0.00 61.98 63.49 2cri s VAL 61 Cb -0.24 -4.02 0.06 0.00 0.00 0.00 0.00 36.38 32.18 2cri s VAL 61 CO -0.02 0.28 0.27 -0.13 0.00 0.00 0.00 175.10 175.50 2cri s ARG 62 N 0.61 0.16 0.60 2.72 1.81 0.13 -2.91 118.95 122.08 2cri s ARG 62 Ca 0.36 0.72 -0.17 0.00 -1.72 0.00 0.00 55.73 54.92 2cri s ARG 62 Cb -0.18 -0.04 -0.03 0.00 -0.45 0.00 0.00 34.95 34.25 2cri s ARG 62 CO 0.18 -0.26 1.12 -1.25 -0.68 0.00 0.00 175.30 174.40 2cri s PRO 63 N 2.21 3.07 0.00 3.54 0.04 -1.26 -0.14 135.00 142.46 2cri s PRO 63 Ca -0.01 1.50 0.29 0.00 0.04 0.00 0.00 61.00 62.82 2cri s PRO 63 Cb -0.12 -1.98 1.22 0.00 0.04 0.00 0.00 34.50 33.67 2cri s PRO 63 CO -0.09 -1.05 1.86 -1.71 0.04 0.00 0.00 177.00 176.05 2cri n ASN 64 N -1.88 0.53 -3.64 6.66 2.85 -1.15 -4.78 115.26 113.86 2cri n ASN 64 Ca 0.11 -0.66 -0.00 0.00 -0.11 0.00 0.00 54.58 53.92 2cri n ASN 64 Cb 0.51 -0.06 -0.00 0.00 1.24 0.00 0.00 39.78 41.48 2cri n ASN 64 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2cri s SER 65 N -2.43 -0.07 0.00 1.20 0.15 -1.26 -1.65 113.70 109.64 2cri s SER 65 Ca 0.30 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.64 2cri s SER 65 Cb 0.20 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2cri s SER 65 CO 0.46 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2cri n GLY 66 N -0.58 -0.37 3.27 9.45 0.00 -1.13 -5.04 105.19 110.79 2cri n GLY 66 Ca -0.05 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.63 1.84 -0.31 -0.61 1.01 -1.26 -2.13 121.20 117.12 2cri s ILE 67 Ca 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 60.65 59.54 2cri s ILE 67 Cb 0.00 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 2cri s ILE 67 CO 0.00 0.52 0.18 -0.63 0.00 0.00 0.00 174.94 175.01 2cri s ILE 68 N -0.55 4.97 0.71 2.92 1.01 -0.87 -4.95 121.20 124.44 2cri s ILE 68 Ca 0.09 -0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.39 2cri s ILE 68 Cb -0.09 -3.48 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 2cri s ILE 68 CO -0.01 0.11 0.37 0.47 0.00 0.00 0.00 174.94 175.89 2cri n ASP 69 N 5.04 -1.78 -4.61 3.58 9.92 -1.26 -3.39 116.55 124.05 2cri n ASP 69 Ca -0.14 0.57 -0.43 0.00 -0.53 0.00 0.00 54.79 54.27 2cri n ASP 69 Cb 0.50 -1.15 -0.03 0.00 -0.64 0.00 0.00 41.12 39.81 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 -2.50 3.50 0.00 -0.24 0.04 -1.26 -2.91 135.00 131.62 2cri s PRO 70 Ca 0.63 1.40 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2cri s PRO 70 Cb -0.36 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.06 2cri s PRO 70 CO 0.60 -1.65 0.00 0.41 0.04 0.00 0.00 177.00 176.40 2cri n GLY 71 N 5.17 0.91 3.21 0.56 0.00 -1.06 -4.85 105.19 109.12 2cri n GLY 71 Ca 0.21 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.87 0.30 -0.06 1.61 0.01 -1.15 -4.98 113.70 106.56 2cri s SER 72 Ca 0.00 -1.41 0.06 0.00 1.31 0.00 0.00 55.95 55.90 2cri s SER 72 Cb 0.00 0.38 -0.01 0.00 0.21 0.00 0.00 66.02 66.60 2cri s SER 72 CO 0.00 -0.85 -0.23 -0.63 0.41 0.00 0.00 173.24 171.94 2cri s ILE 73 N -4.10 1.90 -0.09 1.44 1.01 -1.26 -2.05 121.20 118.05 2cri s ILE 73 Ca 0.39 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 60.07 2cri s ILE 73 Cb 0.07 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 2cri s ILE 73 CO 0.13 0.53 -0.08 -0.69 0.00 0.00 0.00 174.94 174.83 2cri s VAL 74 N -0.10 3.54 -0.42 2.92 1.01 -0.68 -4.90 120.40 121.77 2cri s VAL 74 Ca -0.04 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 2cri s VAL 74 Cb -0.13 -2.46 0.08 0.00 0.00 0.00 0.00 36.38 33.87 2cri s VAL 74 CO 0.03 0.57 0.26 -0.89 0.00 0.00 0.00 175.10 175.07 2cri s THR 75 N -0.45 4.13 0.05 3.92 2.01 -1.26 -0.38 115.64 123.66 2cri s THR 75 Ca 0.06 -1.48 -0.22 0.00 0.31 0.00 0.00 61.69 60.36 2cri s THR 75 Cb -0.12 -3.57 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 2cri s THR 75 CO 0.02 -0.54 0.65 -0.69 -0.69 0.00 0.00 174.62 173.37 2cri s VAL 76 N 1.39 4.75 -0.47 3.82 1.01 -0.39 -4.83 120.40 125.69 2cri s VAL 76 Ca 0.03 1.38 -0.18 0.00 0.00 0.00 0.00 61.98 63.22 2cri s VAL 76 Cb -0.23 -3.99 0.05 0.00 0.00 0.00 0.00 36.38 32.21 2cri s VAL 76 CO 0.01 0.46 0.50 -0.55 0.00 0.00 0.00 175.10 175.52 2cri s SER 77 N -0.54 6.19 -0.73 3.32 0.15 0.80 -0.23 113.70 122.66 2cri s SER 77 Ca 0.33 -0.93 -0.16 0.00 0.70 0.00 0.00 55.95 55.88 2cri s SER 77 Cb -0.20 -2.24 0.17 0.00 -1.71 0.00 0.00 66.02 62.04 2cri s SER 77 CO 0.20 -0.72 0.72 -0.69 1.20 0.00 0.00 173.24 173.96 2cri s VAL 78 N 2.20 5.30 -0.79 4.45 1.01 0.65 0.21 120.40 133.43 2cri s VAL 78 Ca 0.11 -1.90 -0.26 0.00 0.00 0.00 0.00 61.98 59.93 2cri s VAL 78 Cb -0.20 -4.47 0.03 0.00 0.00 0.00 0.00 36.38 31.74 2cri s VAL 78 CO 0.11 -1.05 1.33 -0.04 0.00 0.00 0.00 175.10 175.45 2cri s MET 79 N 1.17 3.24 -0.33 2.72 -1.94 0.13 -1.80 119.30 122.49 2cri s MET 79 Ca 0.14 -0.38 -0.22 0.00 -1.71 0.00 0.00 55.69 53.52 2cri s MET 79 Cb -0.17 -4.41 0.00 0.00 2.01 0.00 0.00 34.83 32.26 2cri s MET 79 CO -0.04 -2.19 0.72 -1.17 -0.01 0.00 0.00 175.02 172.34 2cri s LEU 80 N 5.72 4.14 0.77 -0.03 1.98 0.17 -1.73 118.68 129.70 2cri s LEU 80 Ca 0.38 0.44 -0.13 0.00 -2.89 0.00 0.00 54.13 51.93 2cri s LEU 80 Cb -0.07 -2.95 0.06 0.00 0.66 0.00 0.00 46.19 43.89 2cri s LEU 80 CO 0.10 -0.61 1.14 -1.10 -1.89 0.00 0.00 176.35 173.99 2cri s GLN 81 N 2.88 2.06 0.54 1.98 -1.52 -1.04 -0.18 119.66 124.39 2cri s GLN 81 Ca 0.29 1.48 -0.19 0.00 -1.95 0.00 0.00 55.36 54.98 2cri s GLN 81 Cb -0.14 -1.85 -0.06 0.00 -0.22 0.00 0.00 33.01 30.74 2cri s GLN 81 CO 0.14 -1.83 1.13 -1.25 -0.25 0.00 0.00 175.29 173.22 2cri s PRO 82 N -4.38 3.35 0.08 2.91 0.04 -1.26 -4.77 135.00 130.98 2cri s PRO 82 Ca 0.67 1.61 -0.26 0.00 0.04 0.00 0.00 61.00 63.07 2cri s PRO 82 Cb -0.23 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.39 2cri s PRO 82 CO 0.50 -0.85 0.73 -0.59 0.04 0.00 0.00 177.00 176.83 2cri s PHE 83 N -1.78 -0.46 -0.54 0.56 -0.12 -1.17 -5.00 117.98 109.48 2cri s PHE 83 Ca 0.73 0.29 -0.27 0.00 -0.05 0.00 0.00 56.93 57.63 2cri s PHE 83 Cb -0.24 0.55 -0.01 0.00 -0.63 0.00 0.00 43.02 42.69 2cri s PHE 83 CO 0.27 -0.71 1.76 -0.51 -0.05 0.00 0.00 175.22 175.98 2cri s ASP 84 N -2.60 5.58 -0.23 1.98 1.11 -1.26 -4.81 116.67 116.44 2cri s ASP 84 Ca 0.03 0.55 -0.29 0.00 0.18 0.00 0.00 52.55 53.02 2cri s ASP 84 Cb -0.01 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 2cri s ASP 84 CO -0.11 -2.09 1.86 -0.47 1.18 0.00 0.00 175.17 175.54 2cri s TYR 85 N 7.99 1.69 -0.14 4.23 5.04 -1.26 -4.98 117.35 129.92 2cri s TYR 85 Ca 0.67 0.47 -0.01 0.00 -2.44 0.00 0.00 57.07 55.76 2cri s TYR 85 Cb -0.15 -4.05 -0.02 0.00 0.35 0.00 0.00 41.96 38.10 2cri s TYR 85 CO 0.25 -3.49 -0.11 -0.51 -1.34 0.00 0.00 175.55 170.35 2cri s ASP 86 N 5.89 4.19 0.21 4.32 1.11 -1.26 -5.01 116.67 126.11 2cri s ASP 86 Ca 0.83 -0.29 -0.03 0.00 0.18 0.00 0.00 52.55 53.24 2cri s ASP 86 Cb -0.28 -1.65 0.17 0.00 1.07 0.00 0.00 42.92 42.23 2cri s ASP 86 CO 0.33 0.16 1.56 1.55 1.18 0.00 0.00 175.17 179.96 2cri h PRO 87 N 6.77 0.61 -0.92 8.23 0.13 -2.03 -3.01 132.00 141.79 2cri h PRO 87 Ca -0.28 -0.32 -0.38 0.00 -0.87 0.00 0.00 66.00 64.15 2cri h PRO 87 Cb 1.21 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 32.12 2cri h PRO 87 CO 0.57 0.92 0.49 -1.71 -0.23 0.00 0.00 178.00 178.04 2cri n ASN 88 N -4.02 4.06 -0.56 1.44 5.15 -1.26 -4.63 115.26 115.44 2cri n ASN 88 Ca -0.02 -3.37 0.45 0.00 -0.60 0.00 0.00 54.58 51.04 2cri n ASN 88 Cb 0.53 -0.79 0.75 0.00 -0.53 0.00 0.00 39.78 39.75 2cri n ASN 88 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 2cri h GLU 89 N 1.52 0.03 -6.22 1.20 -0.00 -1.95 -3.43 114.58 105.73 2cri h GLU 89 Ca 0.47 -0.00 -0.43 0.00 -0.00 0.00 0.00 59.36 59.40 2cri h GLU 89 Cb 2.57 -0.01 -0.19 0.00 -0.00 0.00 0.00 28.75 31.12 2cri h GLU 89 CO 0.91 0.02 -0.65 1.17 -0.00 0.00 0.00 179.01 180.46 2cri n LYS 90 N -4.25 -0.89 -2.27 1.06 4.81 -1.26 -4.88 118.16 110.47 2cri n LYS 90 Ca 0.40 0.08 -0.12 0.00 -0.87 0.00 0.00 58.31 57.79 2cri n LYS 90 Cb 1.71 -2.78 0.04 0.00 0.02 0.00 0.00 35.03 34.02 2cri n LYS 90 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2cri n SER 91 N -1.71 1.36 -2.26 3.14 7.64 -1.26 -5.06 113.62 115.47 2cri n SER 91 Ca -0.10 -1.98 -0.19 0.00 1.01 0.00 0.00 58.87 57.61 2cri n SER 91 Cb 0.41 -0.27 0.02 0.00 -1.01 0.00 0.00 64.21 63.37 2cri n SER 91 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2cri n LYS 92 N -1.80 3.13 -2.50 1.43 4.81 -1.26 -5.07 118.16 116.90 2cri n LYS 92 Ca 0.10 -4.04 -0.41 0.00 -0.87 0.00 0.00 58.31 53.10 2cri n LYS 92 Cb 0.38 -2.10 -0.04 0.00 0.02 0.00 0.00 35.03 33.29 2cri n LYS 92 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 2cri s HIS 93 N -3.62 3.59 0.26 5.64 -3.43 -1.26 -5.04 115.29 111.43 2cri s HIS 93 Ca 0.45 1.63 -0.04 0.00 -0.80 0.00 0.00 55.06 56.31 2cri s HIS 93 Cb 0.39 -3.28 -0.02 0.00 -1.43 0.00 0.00 32.58 28.25 2cri s HIS 93 CO -0.00 -0.58 0.32 0.15 -2.00 0.00 0.00 174.74 172.63 2cri s LYS 94 N -0.76 1.51 -0.14 -0.38 1.02 -1.26 -4.86 119.74 114.87 2cri s LYS 94 Ca 0.48 -1.59 -0.04 0.00 0.02 0.00 0.00 55.97 54.84 2cri s LYS 94 Cb -0.30 0.37 0.07 0.00 -0.52 0.00 0.00 37.83 37.44 2cri s LYS 94 CO 0.37 -0.57 0.22 0.12 -0.92 0.00 0.00 175.35 174.57 2cri s PHE 95 N -3.81 -0.32 -0.03 3.18 2.19 -0.36 -3.27 117.98 115.55 2cri s PHE 95 Ca 0.33 0.67 0.07 0.00 0.33 0.00 0.00 56.93 58.33 2cri s PHE 95 Cb 0.03 -0.18 -0.01 0.00 -1.31 0.00 0.00 43.02 41.54 2cri s PHE 95 CO 0.15 -0.40 -0.23 -1.64 1.83 0.00 0.00 175.22 174.92 2cri s MET 96 N 2.36 2.09 -0.11 10.12 -1.94 -1.19 -0.30 119.30 130.33 2cri s MET 96 Ca 0.03 -0.83 0.03 0.00 -1.71 0.00 0.00 55.69 53.21 2cri s MET 96 Cb -0.13 -1.91 -0.00 0.00 2.01 0.00 0.00 34.83 34.80 2cri s MET 96 CO -0.09 0.44 -0.22 0.08 -0.01 0.00 0.00 175.02 175.22 2cri s VAL 97 N -0.36 2.24 0.02 -6.03 1.01 -1.09 -3.53 120.40 112.64 2cri s VAL 97 Ca 0.04 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 2cri s VAL 97 Cb -0.11 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2cri s VAL 97 CO 0.01 0.55 0.20 -1.58 0.00 0.00 0.00 175.10 174.28 2cri s GLN 98 N 0.40 3.45 -0.08 2.72 0.74 -1.11 -1.72 119.66 124.07 2cri s GLN 98 Ca -0.16 -0.33 -0.14 0.00 0.05 0.00 0.00 55.36 54.77 2cri s GLN 98 Cb -0.17 -3.07 0.03 0.00 1.10 0.00 0.00 33.01 30.90 2cri s GLN 98 CO 0.07 0.65 0.35 0.95 -0.55 0.00 0.00 175.29 176.76 2cri s THR 99 N -1.39 0.03 -0.26 -0.34 -4.23 0.17 -1.92 115.64 107.69 2cri s THR 99 Ca 0.30 -0.22 -0.22 0.00 -1.18 0.00 0.00 61.69 60.37 2cri s THR 99 Cb -0.13 -0.58 0.07 0.00 1.34 0.00 0.00 72.50 73.20 2cri s THR 99 CO 0.22 -0.12 0.69 -0.51 -0.54 0.00 0.00 174.62 174.36 2cri s ILE 100 N -0.55 -0.00 0.53 2.99 2.07 -0.51 -1.41 121.20 124.33 2cri s ILE 100 Ca -0.07 0.00 -0.19 0.00 -1.41 0.00 0.00 60.65 58.98 2cri s ILE 100 Cb -0.04 -0.97 -0.10 0.00 0.13 0.00 0.00 42.46 41.49 2cri s ILE 100 CO 0.03 0.00 0.54 0.49 -1.91 0.00 0.00 174.94 174.09 2cri n PHE 101 N 3.05 -0.60 -4.65 3.50 3.01 -1.26 -0.61 117.46 119.90 2cri n PHE 101 Ca -0.15 0.48 -0.33 0.00 1.01 0.00 0.00 57.45 58.45 2cri n PHE 101 Cb 0.56 -1.97 -0.13 0.00 -0.01 0.00 0.00 39.48 37.93 2cri n PHE 101 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2cri s ALA 102 N -1.65 2.81 0.76 4.37 0.00 0.66 -4.55 121.76 124.16 2cri s ALA 102 Ca 0.67 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 51.64 2cri s ALA 102 Cb -0.48 -1.28 0.05 0.00 0.00 0.00 0.00 23.12 21.40 2cri s ALA 102 CO 0.55 0.35 1.09 -1.25 0.00 0.00 0.00 175.76 176.50 2cri s PRO 103 N -0.03 2.33 0.11 0.00 0.04 -1.26 -4.53 135.00 131.66 2cri s PRO 103 Ca -0.01 1.19 -0.14 0.00 0.04 0.00 0.00 61.00 62.08 2cri s PRO 103 Cb -0.14 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 2cri s PRO 103 CO 0.03 -1.59 1.43 -1.00 0.04 0.00 0.00 177.00 175.91 2cri h PRO 104 N -0.98 0.75 -0.53 0.56 0.13 -1.99 -2.93 132.00 127.01 2cri h PRO 104 Ca -0.44 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.30 2cri h PRO 104 Cb 1.23 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2cri h PRO 104 CO 0.52 1.02 0.00 0.27 -0.23 0.00 0.00 178.00 179.57 2cri n ASN 105 N -4.23 1.96 -4.26 1.44 6.94 -1.26 -4.92 115.26 110.93 2cri n ASN 105 Ca -0.03 -2.15 -0.45 0.00 -0.02 0.00 0.00 54.58 51.93 2cri n ASN 105 Cb 0.48 -0.35 -0.14 0.00 -2.36 0.00 0.00 39.78 37.42 2cri n ASN 105 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2cri n ILE 106 N 0.24 0.00 0.00 1.53 3.06 -1.11 -4.80 119.36 118.28 2cri n ILE 106 Ca 0.09 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.34 2cri n ILE 106 Cb 0.38 -0.48 0.00 0.00 0.54 0.00 0.00 39.64 40.08 2cri n ILE 106 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 2cri n SER 107 N 9.23 0.00 -4.68 9.51 2.88 -1.26 -4.91 113.62 124.38 2cri n SER 107 Ca 0.60 0.22 -0.38 0.00 -1.33 0.00 0.00 58.87 57.98 2cri n SER 107 Cb 0.01 -0.49 -0.07 0.00 -0.75 0.00 0.00 64.21 62.91 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 -3.49 6.44 0.36 -3.46 1.01 -1.26 -4.95 116.67 111.32 2cri s ASP 108 Ca 0.00 0.52 0.27 0.00 0.71 0.00 0.00 52.55 54.05 2cri s ASP 108 Cb 0.00 -2.22 1.13 0.00 1.01 0.00 0.00 42.92 42.83 2cri s ASP 108 CO 0.00 -0.03 1.81 -0.03 0.21 0.00 0.00 175.17 177.13 2cri h MET 109 N 7.20 0.00 0.00 8.23 4.05 -2.02 -2.70 114.93 129.70 2cri h MET 109 Ca -0.37 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 58.77 2cri h MET 109 Cb 1.16 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.92 2cri h MET 109 CO 0.72 0.00 -1.73 -0.85 0.23 0.00 0.00 176.91 175.29 2cri n GLU 110 N -2.53 0.64 -0.18 0.39 0.28 -1.26 -4.16 120.64 113.81 2cri n GLU 110 Ca 0.02 0.25 -0.11 0.00 -0.16 0.00 0.00 57.16 57.16 2cri n GLU 110 Cb 0.25 -1.77 0.01 0.00 1.43 0.00 0.00 31.44 31.36 2cri n GLU 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2cri h ALA 111 N 1.08 0.74 -0.60 -1.84 0.00 -1.89 -2.63 119.26 114.12 2cri h ALA 111 Ca -0.29 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.36 2cri h ALA 111 Cb 1.96 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 19.48 2cri h ALA 111 CO 0.07 0.68 0.18 0.28 0.00 0.00 0.00 179.25 180.45 2cri h VAL 112 N 0.91 0.70 -0.38 0.00 2.07 -1.69 0.17 116.25 118.04 2cri h VAL 112 Ca 0.13 -0.11 -0.12 0.00 0.82 0.00 0.00 66.70 67.42 2cri h VAL 112 Cb 0.71 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2cri h VAL 112 CO 0.05 0.06 -0.26 -0.50 0.02 0.00 0.00 177.57 176.95 2cri h TRP 113 N 0.33 0.89 0.75 1.57 4.06 -1.71 -0.86 115.95 120.98 2cri h TRP 113 Ca 0.31 -0.22 -0.04 0.00 2.06 0.00 0.00 58.89 61.01 2cri h TRP 113 Cb 0.43 -0.21 0.01 0.00 -1.00 0.00 0.00 29.16 28.39 2cri h TRP 113 CO -0.21 0.95 -0.36 0.87 -3.56 0.00 0.00 178.44 176.13 2cri h LYS 114 N 0.67 -0.97 -0.98 0.49 1.57 -0.84 -3.16 116.57 113.35 2cri h LYS 114 Ca 0.09 0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 2cri h LYS 114 Cb 0.78 0.22 -0.06 0.00 0.08 0.00 0.00 32.23 33.25 2cri h LYS 114 CO 0.06 -0.63 0.64 0.93 -0.57 0.00 0.00 179.45 179.88 2cri h GLU 115 N -1.21 1.20 -6.38 3.15 5.08 -0.77 -3.43 114.58 112.22 2cri h GLU 115 Ca -0.10 -0.07 -0.64 0.00 -1.00 0.00 0.00 59.36 57.55 2cri h GLU 115 Cb 0.79 -0.27 0.08 0.00 0.50 0.00 0.00 28.75 29.85 2cri h GLU 115 CO 0.17 0.79 0.29 0.00 -1.00 0.00 0.00 179.01 179.26 2cri n ALA 116 N -2.38 -0.51 -2.73 3.43 0.00 -0.33 -4.97 120.51 113.03 2cri n ALA 116 Ca 0.13 0.45 -0.27 0.00 0.00 0.00 0.00 53.44 53.75 2cri n ALA 116 Cb 0.10 -2.05 -0.03 0.00 0.00 0.00 0.00 19.45 17.47 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 -0.53 3.53 0.00 0.00 -0.14 -1.26 -4.95 119.74 116.39 2cri s LYS 117 Ca 0.71 -0.31 0.15 0.00 -1.36 0.00 0.00 55.97 55.16 2cri s LYS 117 Cb -0.81 -2.80 0.85 0.00 -1.68 0.00 0.00 37.83 33.39 2cri s LYS 117 CO 0.53 0.35 1.38 -0.35 -0.76 0.00 0.00 175.35 176.50 2cri n PRO 118 N -0.84 0.36 -0.00 -1.68 -0.04 -1.26 -1.85 135.00 129.68 2cri n PRO 118 Ca -0.05 0.07 0.10 0.00 -0.04 0.00 0.00 63.50 63.58 2cri n PRO 118 Cb 0.54 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.14 0.83 -0.00 3.54 8.00 -1.26 -4.29 116.55 122.24 2cri n ASP 119 Ca 0.10 -0.82 0.03 0.00 0.71 0.00 0.00 54.79 54.81 2cri n ASP 119 Cb 0.08 1.16 -0.04 0.00 -0.02 0.00 0.00 41.12 42.31 2cri n ASP 119 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2cri n GLU 120 N -1.61 4.71 -2.55 -1.24 -0.58 -0.77 -5.00 120.64 113.60 2cri n GLU 120 Ca 0.03 -0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.35 2cri n GLU 120 Cb 0.36 -0.82 -0.03 0.00 -0.57 0.00 0.00 31.44 30.38 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 -2.34 4.41 -0.24 -4.62 1.43 -0.85 -4.92 118.68 111.55 2cri s LEU 121 Ca 0.02 1.92 -0.08 0.00 -1.03 0.00 0.00 54.13 54.96 2cri s LEU 121 Cb 0.05 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 2cri s LEU 121 CO 0.27 -0.31 0.10 -0.04 0.23 0.00 0.00 176.35 176.59 2cri s MET 122 N 0.59 3.77 0.36 1.70 -1.94 -0.50 -4.99 119.30 118.30 2cri s MET 122 Ca 0.53 -0.42 0.09 0.00 -1.71 0.00 0.00 55.69 54.18 2cri s MET 122 Cb -0.27 -3.38 -0.07 0.00 2.01 0.00 0.00 34.83 33.13 2cri s MET 122 CO 0.30 -0.11 -0.05 0.34 -0.01 0.00 0.00 175.02 175.50 2cri s ASP 123 N 1.44 3.86 0.00 3.03 2.15 -1.26 0.41 116.67 126.31 2cri s ASP 123 Ca 0.06 -1.19 -0.03 0.00 0.43 0.00 0.00 52.55 51.82 2cri s ASP 123 Cb -0.15 -0.40 -0.01 0.00 -0.30 0.00 0.00 42.92 42.07 2cri s ASP 123 CO 0.05 -0.27 0.05 -0.44 -0.17 0.00 0.00 175.17 174.39 2cri s SER 124 N -3.66 0.09 -0.37 -0.34 0.01 -0.70 -4.75 113.70 103.98 2cri s SER 124 Ca 0.34 -0.24 -0.14 0.00 1.31 0.00 0.00 55.95 57.22 2cri s SER 124 Cb 0.03 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.41 2cri s SER 124 CO 0.17 -0.25 0.26 -0.75 0.41 0.00 0.00 173.24 173.09 2cri s LYS 125 N -1.03 3.20 -0.07 12.44 2.20 -1.26 -2.69 119.74 132.52 2cri s LYS 125 Ca -0.11 -0.85 0.02 0.00 -0.36 0.00 0.00 55.97 54.67 2cri s LYS 125 Cb -0.07 -3.88 0.01 0.00 -1.51 0.00 0.00 37.83 32.39 2cri s LYS 125 CO 0.00 -0.61 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.08 2cri s LEU 126 N 1.69 1.67 -0.24 5.43 0.20 0.58 -5.01 118.68 123.00 2cri s LEU 126 Ca 0.05 -0.33 -0.07 0.00 0.69 0.00 0.00 54.13 54.47 2cri s LEU 126 Cb -0.18 -0.89 -0.03 0.00 -0.43 0.00 0.00 46.19 44.66 2cri s LEU 126 CO 0.10 0.04 0.07 0.00 -0.29 0.00 0.00 176.35 176.26 2cri s ARG 127 N 0.69 3.67 -0.27 1.98 1.70 -1.26 -1.23 118.95 124.24 2cri s ARG 127 Ca -0.14 -0.47 -0.29 0.00 -0.47 0.00 0.00 55.73 54.36 2cri s ARG 127 Cb -0.16 -3.30 0.01 0.00 -0.57 0.00 0.00 34.95 30.93 2cri s ARG 127 CO 0.03 -0.15 1.13 0.00 -1.08 0.00 0.00 175.30 175.24 2cri s VAL 129 N 3.62 5.33 -0.28 0.00 1.01 -0.27 -4.96 120.40 124.85 2cri s VAL 129 Ca 0.48 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.51 2cri s VAL 129 Cb -0.15 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.69 2cri s VAL 129 CO 0.14 0.35 0.02 -0.36 0.00 0.00 0.00 175.10 175.24 2cri s PHE 130 N -1.32 3.13 0.30 5.22 0.40 -1.26 -1.42 117.98 123.04 2cri s PHE 130 Ca 0.28 -1.33 0.09 0.00 -0.60 0.00 0.00 56.93 55.37 2cri s PHE 130 Cb -0.13 -2.16 -0.05 0.00 0.51 0.00 0.00 43.02 41.19 2cri s PHE 130 CO 0.17 -0.67 0.04 -1.21 0.70 0.00 0.00 175.22 174.24 2cri s GLU 131 N 1.40 2.25 0.14 0.44 2.02 -0.82 -4.95 118.70 119.18 2cri s GLU 131 Ca 0.00 -1.54 0.06 0.00 0.02 0.00 0.00 54.97 53.52 2cri s GLU 131 Cb -0.17 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.91 2cri s GLU 131 CO -0.01 0.24 0.03 -1.64 0.02 0.00 0.00 175.26 173.90 2cri s MET 132 N -3.73 2.57 0.10 1.61 -1.94 -1.26 -2.84 119.30 113.81 2cri s MET 132 Ca 0.34 -0.95 0.18 0.00 -1.71 0.00 0.00 55.69 53.55 2cri s MET 132 Cb -0.04 -2.49 0.76 0.00 2.01 0.00 0.00 34.83 35.07 2cri s MET 132 CO 0.20 0.50 1.56 -0.35 -0.01 0.00 0.00 175.02 176.92 2cri n PRO 133 N 0.11 0.08 -3.76 2.03 -0.04 -1.26 -4.67 135.00 127.50 2cri n PRO 133 Ca -0.10 0.32 -0.36 0.00 -0.04 0.00 0.00 63.50 63.33 2cri n PRO 133 Cb 0.54 -1.65 -0.07 0.00 -0.04 0.00 0.00 33.50 32.27 2cri n PRO 133 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2cri s ASN 134 N -3.49 6.27 0.06 3.54 -0.87 -1.26 -5.07 114.94 114.12 2cri s ASN 134 Ca 0.06 0.31 -0.04 0.00 -1.57 0.00 0.00 52.86 51.61 2cri s ASN 134 Cb 0.09 -2.09 -0.02 0.00 -0.02 0.00 0.00 41.25 39.21 2cri s ASN 134 CO 0.31 0.23 0.06 -1.83 -2.57 0.00 0.00 177.10 173.30 2cri s GLU 135 N 0.02 0.69 -0.21 -0.60 4.04 -1.26 -5.12 118.70 116.27 2cri s GLU 135 Ca 0.10 -1.10 -0.29 0.00 0.04 0.00 0.00 54.97 53.72 2cri s GLU 135 Cb -0.11 0.26 -0.02 0.00 0.02 0.00 0.00 34.13 34.27 2cri s GLU 135 CO -0.00 -0.17 1.50 0.54 -1.84 0.00 0.00 175.26 175.29 2cri s ASN 136 N -2.86 6.57 0.87 0.83 2.20 -1.26 -4.99 114.94 116.30 2cri s ASN 136 Ca 0.06 1.61 -0.11 0.00 -0.94 0.00 0.00 52.86 53.48 2cri s ASN 136 Cb 0.06 -2.53 0.11 0.00 -2.00 0.00 0.00 41.25 36.89 2cri s ASN 136 CO -0.10 -1.10 1.11 1.51 -2.94 0.00 0.00 177.10 175.57 2cri s ASP 137 N 3.46 3.54 0.06 3.54 -4.77 -1.26 -5.04 116.67 116.20 2cri s ASP 137 Ca 0.66 1.87 0.02 0.00 -3.30 0.00 0.00 52.55 51.80 2cri s ASP 137 Cb -0.24 -2.46 -0.04 0.00 -1.09 0.00 0.00 42.92 39.09 2cri s ASP 137 CO 0.26 -2.66 0.12 -0.54 0.70 0.00 0.00 175.17 173.05 2cri s LYS 138 N -4.79 3.07 0.07 2.11 1.02 -1.26 -5.04 119.74 114.92 2cri s LYS 138 Ca 0.64 -0.59 -0.34 0.00 0.02 0.00 0.00 55.97 55.70 2cri s LYS 138 Cb -0.20 -2.84 -0.19 0.00 -0.52 0.00 0.00 37.83 34.09 2cri s LYS 138 CO 0.57 0.59 1.61 1.25 -0.92 0.00 0.00 175.35 178.45 2cri h LEU 139 N 3.35 -0.91 -7.50 3.17 6.46 -2.07 -3.44 115.31 114.38 2cri h LEU 139 Ca -0.47 0.04 -0.21 0.00 -0.12 0.00 0.00 57.88 57.12 2cri h LEU 139 Cb 1.17 0.25 -0.29 0.00 -0.73 0.00 0.00 40.66 41.05 2cri h LEU 139 CO 0.68 -0.61 -0.57 0.21 -0.62 0.00 0.00 178.44 177.53 2cri s ASN 140 N -4.32 -0.14 -0.23 1.25 3.84 -1.26 -5.14 114.94 108.95 2cri s ASN 140 Ca -0.18 0.31 0.01 0.00 0.21 0.00 0.00 52.86 53.21 2cri s ASN 140 Cb 0.03 0.26 0.05 0.00 -0.55 0.00 0.00 41.25 41.04 2cri s ASN 140 CO 0.62 -0.10 -0.09 1.51 -2.79 0.00 0.00 177.10 176.25 2cri s ASP 141 N 0.64 3.79 -0.67 -4.21 -4.77 -1.26 -5.08 116.67 105.11 2cri s ASP 141 Ca -0.05 -1.10 -0.24 0.00 -3.30 0.00 0.00 52.55 47.86 2cri s ASP 141 Cb -0.06 -1.29 0.06 0.00 -1.09 0.00 0.00 42.92 40.54 2cri s ASP 141 CO -0.03 -0.19 1.03 -0.55 0.70 0.00 0.00 175.17 176.14 2cri s SER 142 N 1.33 6.17 0.12 2.11 0.15 -1.26 -5.02 113.70 117.31 2cri s SER 142 Ca -0.05 -0.86 0.07 0.00 0.70 0.00 0.00 55.95 55.82 2cri s SER 142 Cb -0.18 -2.45 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 2cri s SER 142 CO -0.07 -1.52 -0.08 -0.83 1.20 0.00 0.00 173.24 171.94 2cri s GLY 143 N 3.67 1.79 0.26 9.45 0.00 -1.26 -5.01 107.32 116.23 2cri s GLY 143 Ca 0.25 -1.27 0.23 0.00 0.00 0.00 0.00 44.72 43.94 2cri s GLY 143 CO 0.11 -1.26 1.71 -1.55 0.00 0.00 0.00 173.10 172.11 2cri n PRO 144 N 0.51 0.19 -1.04 2.90 -0.04 -1.26 -4.88 135.00 131.38 2cri n PRO 144 Ca -0.12 0.43 -0.36 0.00 -0.04 0.00 0.00 63.50 63.41 2cri n PRO 144 Cb 0.53 -1.87 -0.02 0.00 -0.04 0.00 0.00 33.50 32.09 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 -2.24 -0.97 -0.06 3.54 3.41 -1.26 -4.86 113.62 111.19 2cri n SER 145 Ca 0.02 0.84 -0.15 0.00 -0.26 0.00 0.00 58.87 59.32 2cri n SER 145 Cb 0.22 -0.71 -0.07 0.00 -0.26 0.00 0.00 64.21 63.40 2cri n SER 145 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2cri h SER 146 N 0.73 0.66 0.00 4.04 0.87 -2.07 -3.55 113.55 114.23 2cri h SER 146 Ca -0.21 -0.56 0.00 0.00 -1.23 0.00 0.00 61.79 59.79 2cri h SER 146 Cb 1.08 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 2cri h SER 146 CO 0.42 1.09 0.00 0.61 -0.53 0.00 0.00 176.83 178.43