#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ee0 n SER 2 N 0.00 1.53 -4.46 1.61 2.88 -1.26 -4.93 113.62 108.99 2ee0 n SER 2 Ca 0.00 0.26 -0.45 0.00 -1.33 0.00 0.00 58.87 57.35 2ee0 n SER 2 Cb 0.00 -0.60 -0.11 0.00 -0.75 0.00 0.00 64.21 62.75 2ee0 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ee0 n SER 3 N -4.02 1.09 -3.67 -3.46 7.64 -1.26 -4.87 113.62 105.07 2ee0 n SER 3 Ca -0.25 0.18 -0.30 0.00 1.01 0.00 0.00 58.87 59.51 2ee0 n SER 3 Cb 0.58 -1.11 -0.14 0.00 -1.01 0.00 0.00 64.21 62.54 2ee0 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ee0 s GLY 4 N 8.80 1.07 0.18 0.23 0.00 -1.26 -5.12 107.32 111.23 2ee0 s GLY 4 Ca 1.21 -1.78 0.03 0.00 0.00 0.00 0.00 44.72 44.19 2ee0 s GLY 4 CO 0.48 1.72 -0.04 -0.56 0.00 0.00 0.00 173.10 174.70 2ee0 s SER 5 N 1.39 1.60 -0.11 1.64 0.01 -1.26 -5.17 113.70 111.81 2ee0 s SER 5 Ca 0.12 -1.13 -0.30 0.00 1.31 0.00 0.00 55.95 55.95 2ee0 s SER 5 Cb -0.19 0.04 0.10 0.00 0.21 0.00 0.00 66.02 66.18 2ee0 s SER 5 CO -0.19 -0.47 0.87 -0.94 0.41 0.00 0.00 173.24 172.92 2ee0 s SER 6 N -3.21 -0.48 0.00 2.44 1.04 -1.26 -5.11 113.70 107.13 2ee0 s SER 6 Ca 0.22 0.50 0.00 0.00 0.48 0.00 0.00 55.95 57.15 2ee0 s SER 6 Cb 0.05 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2ee0 s SER 6 CO 0.04 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.41 2ee0 n GLY 7 N 0.74 0.90 3.55 7.32 0.00 -1.26 -5.13 105.19 111.31 2ee0 n GLY 7 Ca -0.13 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 2ee0 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ee0 s ASN 8 N -1.00 -0.67 -0.05 1.61 2.20 -1.26 -5.00 114.94 110.77 2ee0 s ASN 8 Ca 0.00 1.14 -0.31 0.00 -0.94 0.00 0.00 52.86 52.75 2ee0 s ASN 8 Cb 0.00 1.11 0.11 0.00 -2.00 0.00 0.00 41.25 40.47 2ee0 s ASN 8 CO 0.00 -0.34 1.03 1.51 -2.94 0.00 0.00 177.10 176.37 2ee0 s ASP 9 N -0.10 -0.24 -0.02 3.54 1.47 -1.26 -5.05 116.67 115.00 2ee0 s ASP 9 Ca -0.03 -0.06 0.12 0.00 1.18 0.00 0.00 52.55 53.76 2ee0 s ASP 9 Cb -0.03 0.30 -0.19 0.00 -0.34 0.00 0.00 42.92 42.66 2ee0 s ASP 9 CO 0.03 -0.50 0.25 0.59 0.68 0.00 0.00 175.17 176.23 2ee0 n ASN 10 N -0.24 2.19 -4.08 2.11 3.02 -1.26 -4.75 115.26 112.24 2ee0 n ASN 10 Ca -0.05 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.31 2ee0 n ASN 10 Cb 0.61 1.50 -0.14 0.00 -0.61 0.00 0.00 39.78 41.14 2ee0 n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ee0 s ARG 11 N -2.81 0.81 0.58 3.52 1.70 -1.26 -4.60 118.95 116.88 2ee0 s ARG 11 Ca -0.05 -0.57 -0.18 0.00 -0.47 0.00 0.00 55.73 54.46 2ee0 s ARG 11 Cb 0.08 -0.77 -0.04 0.00 -0.57 0.00 0.00 34.95 33.64 2ee0 s ARG 11 CO 0.51 0.20 1.12 -1.25 -1.08 0.00 0.00 175.30 174.80 2ee0 s PRO 12 N -0.79 3.20 -0.00 3.89 0.04 -1.26 -5.06 135.00 135.01 2ee0 s PRO 12 Ca 0.01 1.55 0.07 0.00 0.04 0.00 0.00 61.00 62.67 2ee0 s PRO 12 Cb -0.06 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2ee0 s PRO 12 CO 0.00 -0.96 -0.23 0.08 0.04 0.00 0.00 177.00 175.94 2ee0 s VAL 13 N -1.93 1.80 0.58 -0.36 1.01 -1.26 -4.74 120.40 115.50 2ee0 s VAL 13 Ca 0.71 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 2ee0 s VAL 13 Cb -0.23 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.66 2ee0 s VAL 13 CO 0.31 0.45 0.86 -0.36 0.00 0.00 0.00 175.10 176.36 2ee0 s PHE 14 N -0.59 3.13 0.20 5.22 0.08 -1.26 -4.79 117.98 119.96 2ee0 s PHE 14 Ca 0.09 0.44 -0.09 0.00 0.12 0.00 0.00 56.93 57.48 2ee0 s PHE 14 Cb -0.09 -2.75 0.13 0.00 -0.57 0.00 0.00 43.02 39.74 2ee0 s PHE 14 CO -0.00 -0.86 1.77 -0.22 -0.10 0.00 0.00 175.22 175.81 2ee0 h LYS 15 N -0.12 1.07 -2.62 0.44 3.64 -2.00 -3.43 116.57 113.55 2ee0 h LYS 15 Ca -0.45 -0.18 -0.12 0.00 -1.27 0.00 0.00 60.65 58.64 2ee0 h LYS 15 Cb 1.27 -0.18 -0.27 0.00 -0.41 0.00 0.00 32.23 32.64 2ee0 h LYS 15 CO 0.59 0.86 -0.32 -1.21 -2.27 0.00 0.00 179.45 177.10 2ee0 s GLU 16 N -5.62 0.37 0.30 1.90 2.02 -1.26 -5.04 118.70 111.37 2ee0 s GLU 16 Ca -0.13 0.85 0.02 0.00 0.02 0.00 0.00 54.97 55.73 2ee0 s GLU 16 Cb 0.15 0.06 0.76 0.00 0.10 0.00 0.00 34.13 35.20 2ee0 s GLU 16 CO 0.82 -0.19 1.59 0.78 0.02 0.00 0.00 175.26 178.28 2ee0 h GLY 17 N 7.42 1.31 -5.60 -1.39 0.00 -1.92 -3.40 103.07 99.48 2ee0 h GLY 17 Ca -0.31 0.09 -0.20 0.00 0.00 0.00 0.00 47.33 46.91 2ee0 h GLY 17 CO 0.25 -0.49 -0.56 -0.86 0.00 0.00 0.00 176.54 174.88 2ee0 s GLN 18 N -5.97 0.15 -0.00 4.80 0.00 -1.26 -2.60 119.66 114.79 2ee0 s GLN 18 Ca -0.13 0.24 0.07 0.00 -0.00 0.00 0.00 55.36 55.54 2ee0 s GLN 18 Cb 0.28 0.03 -0.02 0.00 0.00 0.00 0.00 33.01 33.30 2ee0 s GLN 18 CO 0.78 -0.05 -0.22 0.08 0.00 0.00 0.00 175.29 175.87 2ee0 s VAL 19 N 0.31 1.77 -0.34 3.63 1.01 -1.20 -5.04 120.40 120.54 2ee0 s VAL 19 Ca -0.02 -1.02 -0.07 0.00 0.00 0.00 0.00 61.98 60.88 2ee0 s VAL 19 Cb -0.03 -1.48 0.04 0.00 0.00 0.00 0.00 36.38 34.90 2ee0 s VAL 19 CO -0.01 0.45 0.12 -0.70 0.00 0.00 0.00 175.10 174.95 2ee0 s GLU 20 N -0.66 2.67 0.21 2.72 2.12 -1.26 -2.05 118.70 122.45 2ee0 s GLU 20 Ca 0.09 -1.15 0.06 0.00 0.36 0.00 0.00 54.97 54.33 2ee0 s GLU 20 Cb -0.09 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 2ee0 s GLU 20 CO -0.00 -0.66 0.19 0.14 -0.54 0.00 0.00 175.26 174.39 2ee0 s VAL 21 N 1.43 4.57 -0.30 3.70 -7.23 -0.92 -5.05 120.40 116.60 2ee0 s VAL 21 Ca -0.01 -1.22 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 2ee0 s VAL 21 Cb -0.19 -3.42 0.09 0.00 0.56 0.00 0.00 36.38 33.42 2ee0 s VAL 21 CO 0.03 -0.25 0.02 -1.00 -0.31 0.00 0.00 175.10 173.60 2ee0 s HIS 22 N -1.97 2.84 -0.04 2.82 3.76 -1.26 -2.61 115.29 118.82 2ee0 s HIS 22 Ca 0.32 -2.30 0.05 0.00 -0.15 0.00 0.00 55.06 52.98 2ee0 s HIS 22 Cb -0.09 -2.19 -0.01 0.00 1.11 0.00 0.00 32.58 31.40 2ee0 s HIS 22 CO 0.25 -0.88 -0.20 -1.50 -0.85 0.00 0.00 174.74 171.56 2ee0 s ILE 23 N 1.23 1.61 0.65 0.60 2.07 -1.05 -5.00 121.20 121.31 2ee0 s ILE 23 Ca 0.05 -0.82 -0.15 0.00 -1.41 0.00 0.00 60.65 58.31 2ee0 s ILE 23 Cb -0.19 -1.37 -0.01 0.00 0.13 0.00 0.00 42.46 41.03 2ee0 s ILE 23 CO -0.12 0.46 1.11 -2.16 -1.91 0.00 0.00 174.94 172.32 2ee0 s PRO 24 N -0.09 2.86 0.27 3.50 0.04 -1.26 -2.73 135.00 137.58 2ee0 s PRO 24 Ca -0.02 1.41 0.02 0.00 0.04 0.00 0.00 61.00 62.45 2ee0 s PRO 24 Cb -0.11 -1.96 0.36 0.00 0.04 0.00 0.00 34.50 32.83 2ee0 s PRO 24 CO 0.02 -1.21 1.68 1.05 0.04 0.00 0.00 177.00 178.58 2ee0 h GLU 25 N 0.13 0.45 -0.89 4.56 4.11 -1.77 -2.62 114.58 118.54 2ee0 h GLU 25 Ca -0.47 -0.20 -0.12 0.00 0.07 0.00 0.00 59.36 58.64 2ee0 h GLU 25 Cb 1.25 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.41 2ee0 h GLU 25 CO 0.54 0.73 0.16 -1.71 0.07 0.00 0.00 179.01 178.80 2ee0 n ASN 26 N -4.07 3.35 -4.77 3.06 5.15 -1.26 -2.69 115.26 114.03 2ee0 n ASN 26 Ca -0.01 -2.62 -0.40 0.00 -0.60 0.00 0.00 54.58 50.95 2ee0 n ASN 26 Cb 0.46 -0.63 0.01 0.00 -0.53 0.00 0.00 39.78 39.09 2ee0 n ASN 26 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ee0 s ALA 27 N -1.74 3.24 0.22 5.20 0.00 -0.99 -4.95 121.76 122.74 2ee0 s ALA 27 Ca 0.27 1.43 -0.30 0.00 0.00 0.00 0.00 51.96 53.36 2ee0 s ALA 27 Cb 0.22 -3.57 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 2ee0 s ALA 27 CO 0.07 -1.14 1.29 -1.25 0.00 0.00 0.00 175.76 174.73 2ee0 s PRO 28 N -2.43 4.41 0.33 0.00 0.04 -1.26 -4.74 135.00 131.36 2ee0 s PRO 28 Ca 0.60 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.40 2ee0 s PRO 28 Cb -0.43 -3.18 -0.11 0.00 0.04 0.00 0.00 34.50 30.82 2ee0 s PRO 28 CO 0.55 -0.20 1.55 0.28 0.04 0.00 0.00 177.00 179.22 2ee0 n VAL 29 N 2.23 1.43 0.00 -0.36 0.31 -1.26 -2.60 118.33 118.08 2ee0 n VAL 29 Ca 0.04 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 2ee0 n VAL 29 Cb 0.43 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 2ee0 n VAL 29 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ee0 n GLY 30 N 1.44 0.28 3.74 2.92 0.00 -0.85 -4.97 105.19 107.76 2ee0 n GLY 30 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2ee0 n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ee0 s THR 31 N -2.00 2.97 -0.54 2.61 2.01 -1.07 -4.66 115.64 114.95 2ee0 s THR 31 Ca 0.00 0.79 -0.25 0.00 0.31 0.00 0.00 61.69 62.54 2ee0 s THR 31 Cb 0.00 -3.51 0.04 0.00 0.01 0.00 0.00 72.50 69.04 2ee0 s THR 31 CO 0.00 0.12 0.99 -0.44 -0.69 0.00 0.00 174.62 174.60 2ee0 s SER 32 N 0.42 6.39 -0.00 3.53 0.01 -1.26 -1.30 113.70 121.48 2ee0 s SER 32 Ca 0.59 -0.19 -0.01 0.00 1.31 0.00 0.00 55.95 57.65 2ee0 s SER 32 Cb -0.39 -2.46 -0.01 0.00 0.21 0.00 0.00 66.02 63.37 2ee0 s SER 32 CO 0.40 -1.25 0.59 0.58 0.41 0.00 0.00 173.24 173.97 2ee0 h VAL 33 N 6.06 0.00 -3.78 3.43 2.07 -0.87 -3.47 116.25 119.68 2ee0 h VAL 33 Ca -0.26 -0.02 -0.25 0.00 0.82 0.00 0.00 66.70 67.00 2ee0 h VAL 33 Cb 1.07 0.00 -0.28 0.00 -1.52 0.00 0.00 31.29 30.57 2ee0 h VAL 33 CO 1.10 0.00 -0.73 -0.51 0.02 0.00 0.00 177.57 177.45 2ee0 s ILE 34 N -2.25 0.10 -0.22 4.57 2.07 -1.18 -5.02 121.20 119.27 2ee0 s ILE 34 Ca -0.01 -0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.12 2ee0 s ILE 34 Cb 0.00 -0.10 0.06 0.00 0.13 0.00 0.00 42.46 42.55 2ee0 s ILE 34 CO 0.02 -0.02 -0.04 -1.58 -1.91 0.00 0.00 174.94 171.41 2ee0 s GLN 35 N -0.14 1.49 0.31 3.50 0.74 -1.26 -1.25 119.66 123.04 2ee0 s GLN 35 Ca -0.01 -0.88 -0.29 0.00 0.05 0.00 0.00 55.36 54.23 2ee0 s GLN 35 Cb -0.01 -2.49 -0.10 0.00 1.10 0.00 0.00 33.01 31.51 2ee0 s GLN 35 CO -0.00 -0.59 1.16 -0.51 -0.55 0.00 0.00 175.29 174.80 2ee0 s LEU 36 N 1.47 4.48 -0.32 3.68 1.02 -1.04 -5.01 118.68 122.97 2ee0 s LEU 36 Ca -0.05 2.39 -0.03 0.00 0.02 0.00 0.00 54.13 56.46 2ee0 s LEU 36 Cb -0.18 -3.67 0.05 0.00 0.02 0.00 0.00 46.19 42.41 2ee0 s LEU 36 CO -0.07 -0.30 0.05 -2.28 0.02 0.00 0.00 176.35 173.78 2ee0 s HIS 37 N -1.19 3.30 -0.24 0.29 2.46 -1.26 -4.82 115.29 113.83 2ee0 s HIS 37 Ca 0.47 -1.81 -0.02 0.00 0.47 0.00 0.00 55.06 54.17 2ee0 s HIS 37 Cb -0.34 -2.28 0.07 0.00 -0.13 0.00 0.00 32.58 29.91 2ee0 s HIS 37 CO 0.44 -0.80 0.05 0.00 -2.47 0.00 0.00 174.74 171.95 2ee0 s ALA 38 N 1.28 1.27 0.20 1.58 0.00 -1.26 -4.21 121.76 120.61 2ee0 s ALA 38 Ca -0.03 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.91 2ee0 s ALA 38 Cb -0.20 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 2ee0 s ALA 38 CO -0.00 -1.34 0.21 0.95 0.00 0.00 0.00 175.76 175.58 2ee0 s THR 39 N 1.74 4.72 -0.38 0.00 -4.23 -1.26 -4.92 115.64 111.31 2ee0 s THR 39 Ca 0.02 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.42 2ee0 s THR 39 Cb -0.17 -3.48 0.13 0.00 1.34 0.00 0.00 72.50 70.31 2ee0 s THR 39 CO -0.14 -0.22 0.20 1.51 -0.54 0.00 0.00 174.62 175.43 2ee0 s ASP 40 N -3.50 3.51 -0.06 3.99 -4.77 -1.26 -4.91 116.67 109.68 2ee0 s ASP 40 Ca 0.33 -2.22 -0.02 0.00 -3.30 0.00 0.00 52.55 47.33 2ee0 s ASP 40 Cb -0.09 -0.77 -0.01 0.00 -1.09 0.00 0.00 42.92 40.96 2ee0 s ASP 40 CO 0.25 -0.32 -0.04 0.00 0.70 0.00 0.00 175.17 175.77 2ee0 h ALA 41 N 7.18 0.00 0.08 2.11 0.00 -1.95 -3.43 119.26 123.24 2ee0 h ALA 41 Ca -0.02 -0.17 -0.26 0.00 0.00 0.00 0.00 54.91 54.45 2ee0 h ALA 41 Cb 0.96 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2ee0 h ALA 41 CO 0.41 0.11 -1.39 0.38 0.00 0.00 0.00 179.25 178.77 2ee0 h ASP 42 N -0.48 0.25 -1.16 0.00 3.04 -1.94 -3.44 116.42 112.69 2ee0 h ASP 42 Ca 0.00 -0.78 -0.67 0.00 -3.24 0.00 0.00 57.03 52.34 2ee0 h ASP 42 Cb 0.11 -0.08 -0.02 0.00 -1.04 0.00 0.00 39.33 38.31 2ee0 h ASP 42 CO 0.00 1.59 1.39 0.00 -2.04 0.00 0.00 179.24 180.17 2ee0 n ILE 43 N -4.04 0.21 -2.78 4.15 0.13 -1.26 -3.72 119.36 112.05 2ee0 n ILE 43 Ca -0.27 -0.25 -0.03 0.00 -1.10 0.00 0.00 62.75 61.09 2ee0 n ILE 43 Cb 0.84 -1.65 -0.03 0.00 -0.84 0.00 0.00 39.64 37.96 2ee0 n ILE 43 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2ee0 n GLY 44 N 6.36 -3.49 0.30 4.50 0.00 -1.26 -4.75 105.19 106.86 2ee0 n GLY 44 Ca 0.40 1.13 -0.00 0.00 0.00 0.00 0.00 46.02 47.54 2ee0 n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ee0 n SER 45 N 1.85 -0.49 -4.07 1.61 7.64 -1.24 -3.53 113.62 115.39 2ee0 n SER 45 Ca -0.25 1.38 -0.32 0.00 1.01 0.00 0.00 58.87 60.69 2ee0 n SER 45 Cb 0.41 -0.33 -0.15 0.00 -1.01 0.00 0.00 64.21 63.14 2ee0 n SER 45 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2ee0 s ASN 46 N -5.28 4.60 -0.14 6.43 3.84 -1.26 -5.01 114.94 118.12 2ee0 s ASN 46 Ca -0.11 -1.62 -0.08 0.00 0.21 0.00 0.00 52.86 51.27 2ee0 s ASN 46 Cb 0.17 -1.59 0.05 0.00 -0.55 0.00 0.00 41.25 39.32 2ee0 s ASN 46 CO 0.57 -0.26 0.34 0.00 -2.79 0.00 0.00 177.10 174.96 2ee0 s ALA 47 N 1.06 -0.83 -1.08 1.71 0.00 -1.23 -5.08 121.76 116.31 2ee0 s ALA 47 Ca -0.03 1.27 -0.09 0.00 0.00 0.00 0.00 51.96 53.11 2ee0 s ALA 47 Cb -0.20 -0.78 0.27 0.00 0.00 0.00 0.00 23.12 22.42 2ee0 s ALA 47 CO -0.05 -0.23 1.07 -1.21 0.00 0.00 0.00 175.76 175.33 2ee0 s GLU 48 N 1.24 4.11 -0.73 0.00 8.01 -1.26 -4.94 118.70 125.13 2ee0 s GLU 48 Ca -0.09 -3.16 -0.29 0.00 0.01 0.00 0.00 54.97 51.44 2ee0 s GLU 48 Cb -0.09 -4.52 -0.15 0.00 -4.31 0.00 0.00 34.13 25.07 2ee0 s GLU 48 CO -0.10 -1.25 2.53 -0.89 0.01 0.00 0.00 175.26 175.57 2ee0 n ILE 49 N 2.80 -0.02 -3.97 -1.63 5.41 -1.26 -4.90 119.36 115.78 2ee0 n ILE 49 Ca 0.23 -0.37 -0.34 0.00 1.00 0.00 0.00 62.75 63.27 2ee0 n ILE 49 Cb 0.40 -1.58 -0.06 0.00 -0.71 0.00 0.00 39.64 37.69 2ee0 n ILE 49 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2ee0 s ARG 50 N 8.45 3.33 0.00 0.38 0.52 -1.21 -4.90 118.95 125.52 2ee0 s ARG 50 Ca 1.17 -0.31 0.02 0.00 -0.52 0.00 0.00 55.73 56.10 2ee0 s ARG 50 Cb -0.76 -3.05 -0.03 0.00 0.52 0.00 0.00 34.95 31.62 2ee0 s ARG 50 CO 0.39 0.70 -0.04 0.71 0.02 0.00 0.00 175.30 177.09 2ee0 s TYR 51 N -1.18 2.97 0.31 -0.53 1.51 -1.23 -3.13 117.35 116.06 2ee0 s TYR 51 Ca 0.22 0.01 0.02 0.00 -1.01 0.00 0.00 57.07 56.32 2ee0 s TYR 51 Cb -0.12 -1.63 -0.02 0.00 -0.11 0.00 0.00 41.96 40.07 2ee0 s TYR 51 CO 0.12 0.42 0.32 0.96 -1.11 0.00 0.00 175.55 176.26 2ee0 s ILE 52 N -1.04 0.00 0.39 2.71 -4.36 -1.16 -4.07 121.20 113.66 2ee0 s ILE 52 Ca 0.18 -1.86 -0.24 0.00 -0.26 0.00 0.00 60.65 58.47 2ee0 s ILE 52 Cb -0.11 -2.53 -0.09 0.00 1.25 0.00 0.00 42.46 40.97 2ee0 s ILE 52 CO 0.09 0.00 1.03 -0.36 0.24 0.00 0.00 174.94 175.94 2ee0 s PHE 53 N -3.46 3.34 0.00 1.37 0.08 -1.26 -2.90 117.98 115.14 2ee0 s PHE 53 Ca 0.37 1.66 0.00 0.00 0.12 0.00 0.00 56.93 59.08 2ee0 s PHE 53 Cb 0.02 -3.09 0.00 0.00 -0.57 0.00 0.00 43.02 39.38 2ee0 s PHE 53 CO 0.22 -0.48 0.00 0.41 -0.10 0.00 0.00 175.22 175.27 2ee0 n GLY 54 N 0.34 -2.52 3.84 4.36 0.00 0.10 -4.83 105.19 106.49 2ee0 n GLY 54 Ca 0.04 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 2ee0 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ee0 s ALA 55 N -2.69 3.75 -1.45 4.61 0.00 -1.26 -4.48 121.76 120.24 2ee0 s ALA 55 Ca 0.00 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 2ee0 s ALA 55 Cb 0.00 -1.58 0.05 0.00 0.00 0.00 0.00 23.12 21.59 2ee0 s ALA 55 CO 0.00 0.69 1.02 1.04 0.00 0.00 0.00 175.76 178.52 2ee0 n GLN 56 N 0.11 -6.28 -3.49 0.00 1.13 -1.26 -4.95 117.38 102.64 2ee0 n GLN 56 Ca -0.07 0.68 -0.37 0.00 -1.94 0.00 0.00 57.00 55.30 2ee0 n GLN 56 Cb 0.52 -5.60 -0.08 0.00 0.11 0.00 0.00 30.24 25.20 2ee0 n GLN 56 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2ee0 s VAL 57 N -3.35 5.27 0.57 5.09 1.01 -1.26 -5.06 120.40 122.67 2ee0 s VAL 57 Ca 0.55 0.56 -0.21 0.00 0.00 0.00 0.00 61.98 62.88 2ee0 s VAL 57 Cb -0.26 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2ee0 s VAL 57 CO 0.79 0.33 1.35 0.00 0.00 0.00 0.00 175.10 177.57 2ee0 s ALA 58 N 0.88 2.74 0.13 5.51 0.00 -1.26 -4.94 121.76 124.81 2ee0 s ALA 58 Ca 0.16 1.32 -0.12 0.00 0.00 0.00 0.00 51.96 53.32 2ee0 s ALA 58 Cb -0.14 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 19.36 2ee0 s ALA 58 CO 0.06 -1.42 1.46 -1.00 0.00 0.00 0.00 175.76 174.85 2ee0 h PRO 59 N 1.29 0.86 -0.65 0.00 0.13 -1.99 -3.20 132.00 128.43 2ee0 h PRO 59 Ca -0.51 -0.45 0.12 0.00 -0.87 0.00 0.00 66.00 64.29 2ee0 h PRO 59 Cb 1.31 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.37 2ee0 h PRO 59 CO 0.56 1.10 0.19 0.00 -0.23 0.00 0.00 178.00 179.62 2ee0 h ALA 60 N 0.75 0.83 -1.00 -0.56 0.00 -1.99 -0.36 119.26 116.93 2ee0 h ALA 60 Ca 0.06 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2ee0 h ALA 60 Cb 0.94 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 2ee0 h ALA 60 CO 0.09 -0.26 0.66 1.15 0.00 0.00 0.00 179.25 180.88 2ee0 h THR 61 N 0.33 1.23 0.00 0.00 2.02 -1.95 -0.15 112.91 114.40 2ee0 h THR 61 Ca 0.35 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2ee0 h THR 61 Cb 0.51 -0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 2ee0 h THR 61 CO -0.39 0.24 0.00 0.11 0.37 0.00 0.00 175.52 175.85 2ee0 h LYS 62 N 1.33 0.00 0.00 6.66 1.57 -1.12 -0.65 116.57 124.36 2ee0 h LYS 62 Ca 0.38 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.97 2ee0 h LYS 62 Cb -0.11 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2ee0 h LYS 62 CO -0.09 0.00 -1.48 0.54 -0.57 0.00 0.00 179.45 177.85 2ee0 n ARG 63 N -2.63 0.62 0.04 3.15 1.74 -0.20 -4.21 116.66 115.16 2ee0 n ARG 63 Ca 0.02 0.23 -0.19 0.00 -0.77 0.00 0.00 57.85 57.14 2ee0 n ARG 63 Cb 0.28 -1.80 -0.14 0.00 -1.02 0.00 0.00 32.46 29.78 2ee0 n ARG 63 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2ee0 h LEU 64 N 0.00 0.40 -8.51 0.55 3.38 -0.86 -3.38 115.31 106.90 2ee0 h LEU 64 Ca -0.19 -0.69 -0.66 0.00 0.09 0.00 0.00 57.88 56.44 2ee0 h LEU 64 Cb 1.66 -0.13 -0.28 0.00 0.09 0.00 0.00 40.66 42.00 2ee0 h LEU 64 CO 0.05 1.60 -0.77 -0.36 0.09 0.00 0.00 178.44 179.05 2ee0 s PHE 65 N -2.59 2.83 -0.36 1.13 0.08 -0.28 0.23 117.98 119.02 2ee0 s PHE 65 Ca -0.14 -0.82 -0.13 0.00 0.12 0.00 0.00 56.93 55.96 2ee0 s PHE 65 Cb 0.07 -1.90 -0.00 0.00 -0.57 0.00 0.00 43.02 40.61 2ee0 s PHE 65 CO 0.82 -0.35 0.26 0.00 -0.10 0.00 0.00 175.22 175.85 2ee0 s ALA 66 N 0.67 3.49 -0.07 5.36 0.00 -0.69 -4.50 121.76 126.01 2ee0 s ALA 66 Ca -0.06 -1.49 -0.03 0.00 0.00 0.00 0.00 51.96 50.37 2ee0 s ALA 66 Cb -0.15 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 2ee0 s ALA 66 CO 0.02 -1.13 0.08 -1.17 0.00 0.00 0.00 175.76 173.56 2ee0 s LEU 67 N 1.70 3.95 0.08 0.00 2.96 -1.26 -1.17 118.68 124.94 2ee0 s LEU 67 Ca 0.06 0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 54.19 2ee0 s LEU 67 Cb -0.18 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 2ee0 s LEU 67 CO 0.10 0.35 0.27 0.20 -1.32 0.00 0.00 176.35 175.95 2ee0 s ASN 68 N -1.25 6.42 0.00 3.68 -0.87 -0.48 -4.97 114.94 117.48 2ee0 s ASN 68 Ca 0.17 0.42 0.18 0.00 -1.57 0.00 0.00 52.86 52.06 2ee0 s ASN 68 Cb -0.12 -2.02 0.40 0.00 -0.02 0.00 0.00 41.25 39.49 2ee0 s ASN 68 CO 0.07 0.14 1.32 0.59 -2.57 0.00 0.00 177.10 176.66 2ee0 n ASN 69 N 0.36 3.24 -0.01 -1.22 4.13 -1.26 -2.79 115.26 117.71 2ee0 n ASN 69 Ca -0.05 -1.93 -0.01 0.00 1.68 0.00 0.00 54.58 54.27 2ee0 n ASN 69 Cb 0.52 -0.28 -0.03 0.00 -1.54 0.00 0.00 39.78 38.45 2ee0 n ASN 69 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2ee0 n THR 70 N 1.12 0.16 -0.01 3.41 -2.24 -1.26 -3.57 114.28 111.89 2ee0 n THR 70 Ca 0.17 -0.13 0.01 0.00 -2.27 0.00 0.00 64.05 61.82 2ee0 n THR 70 Cb 0.51 -0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 68.25 2ee0 n THR 70 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2ee0 n THR 71 N -1.97 0.06 -2.52 4.28 -2.24 -1.26 -5.00 114.28 105.63 2ee0 n THR 71 Ca -0.04 -0.08 -0.08 0.00 -2.27 0.00 0.00 64.05 61.58 2ee0 n THR 71 Cb 0.45 0.01 0.01 0.00 -2.10 0.00 0.00 70.33 68.69 2ee0 n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ee0 n GLY 72 N 2.49 0.25 3.65 3.38 0.00 -1.12 -4.78 105.19 109.07 2ee0 n GLY 72 Ca -0.02 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 2ee0 n GLY 72 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ee0 s LEU 73 N -2.68 3.40 -0.29 0.99 1.98 -1.26 -2.50 118.68 118.32 2ee0 s LEU 73 Ca 0.11 -0.06 -0.01 0.00 -2.89 0.00 0.00 54.13 51.28 2ee0 s LEU 73 Cb -0.05 -1.96 0.05 0.00 0.66 0.00 0.00 46.19 44.90 2ee0 s LEU 73 CO 0.13 0.28 -0.01 -0.63 -1.89 0.00 0.00 176.35 174.22 2ee0 s ILE 74 N -1.06 2.90 0.52 6.68 1.01 -0.38 -1.38 121.20 129.48 2ee0 s ILE 74 Ca 0.19 -1.40 0.07 0.00 0.00 0.00 0.00 60.65 59.51 2ee0 s ILE 74 Cb -0.11 -2.66 0.07 0.00 0.01 0.00 0.00 42.46 39.76 2ee0 s ILE 74 CO 0.10 -0.09 0.57 0.35 0.00 0.00 0.00 174.94 175.87 2ee0 n THR 75 N 4.60 0.00 -3.14 2.92 -2.24 -0.32 -0.16 114.28 115.95 2ee0 n THR 75 Ca -0.13 -1.88 -0.44 0.00 -2.27 0.00 0.00 64.05 59.33 2ee0 n THR 75 Cb 0.43 -0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.28 2ee0 n THR 75 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2ee0 s VAL 76 N -2.40 4.85 0.14 2.28 1.01 -0.42 -1.71 120.40 124.15 2ee0 s VAL 76 Ca 0.43 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.71 2ee0 s VAL 76 Cb -0.03 -4.34 0.01 0.00 0.00 0.00 0.00 36.38 32.01 2ee0 s VAL 76 CO 0.27 -0.87 1.63 -0.61 0.00 0.00 0.00 175.10 175.52 2ee0 h GLN 77 N 9.04 0.74 -3.29 2.72 4.15 0.27 -2.25 115.11 126.49 2ee0 h GLN 77 Ca -0.28 -0.19 0.01 0.00 0.77 0.00 0.00 58.65 58.95 2ee0 h GLN 77 Cb 1.09 -0.09 -0.08 0.00 0.21 0.00 0.00 27.48 28.62 2ee0 h GLN 77 CO 0.99 0.75 0.07 -0.98 -1.93 0.00 0.00 178.83 177.73 2ee0 s ARG 78 N -5.22 1.62 0.28 1.69 1.70 -0.43 -4.86 118.95 113.72 2ee0 s ARG 78 Ca -0.13 -1.05 -0.29 0.00 -0.47 0.00 0.00 55.73 53.79 2ee0 s ARG 78 Cb 0.11 0.54 -0.14 0.00 -0.57 0.00 0.00 34.95 34.89 2ee0 s ARG 78 CO 0.79 -0.71 1.15 0.45 -1.08 0.00 0.00 175.30 175.90 2ee0 n SER 79 N -0.41 1.85 -4.71 -2.89 2.88 -1.26 -4.83 113.62 104.24 2ee0 n SER 79 Ca -0.04 1.17 -0.35 0.00 -1.33 0.00 0.00 58.87 58.32 2ee0 n SER 79 Cb 0.61 -1.34 -0.08 0.00 -0.75 0.00 0.00 64.21 62.64 2ee0 n SER 79 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2ee0 s LEU 80 N 0.11 4.11 -0.24 2.46 1.43 -1.10 -5.00 118.68 120.46 2ee0 s LEU 80 Ca 0.61 0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 53.81 2ee0 s LEU 80 Cb -0.69 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.43 2ee0 s LEU 80 CO 0.58 0.20 0.20 -1.81 0.23 0.00 0.00 176.35 175.74 2ee0 s ASP 81 N 0.25 6.16 0.26 2.29 1.11 -1.26 -4.59 116.67 120.89 2ee0 s ASP 81 Ca 0.07 0.16 0.17 0.00 0.18 0.00 0.00 52.55 53.14 2ee0 s ASP 81 Cb -0.11 -2.13 0.07 0.00 1.07 0.00 0.00 42.92 41.82 2ee0 s ASP 81 CO -0.01 0.03 1.34 -0.09 1.18 0.00 0.00 175.17 177.63 2ee0 h ARG 82 N 7.56 0.00 0.00 8.23 2.43 -1.94 -2.49 114.38 128.16 2ee0 h ARG 82 Ca -0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2ee0 h ARG 82 Cb 1.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2ee0 h ARG 82 CO 0.66 0.36 0.00 0.39 -1.51 0.00 0.00 179.97 179.87 2ee0 n GLU 83 N -3.12 0.06 0.00 0.20 -0.58 -1.26 -3.29 120.64 112.66 2ee0 n GLU 83 Ca 0.00 0.45 -0.03 0.00 -0.42 0.00 0.00 57.16 57.17 2ee0 n GLU 83 Cb 0.71 -1.65 -0.01 0.00 -0.57 0.00 0.00 31.44 29.92 2ee0 n GLU 83 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2ee0 n GLU 84 N -1.77 0.07 -3.68 3.49 4.07 -1.22 -4.97 120.64 116.63 2ee0 n GLU 84 Ca 0.01 0.03 -0.30 0.00 -0.06 0.00 0.00 57.16 56.84 2ee0 n GLU 84 Cb 0.08 -0.62 -0.13 0.00 -0.06 0.00 0.00 31.44 30.71 2ee0 n GLU 84 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 2ee0 s THR 85 N -2.08 1.13 0.43 6.31 -1.32 -0.94 -4.96 115.64 114.20 2ee0 s THR 85 Ca -0.04 -2.20 0.17 0.00 -1.21 0.00 0.00 61.69 58.41 2ee0 s THR 85 Cb 0.01 -1.80 0.19 0.00 -1.51 0.00 0.00 72.50 69.39 2ee0 s THR 85 CO 0.06 -0.86 1.99 0.00 -2.21 0.00 0.00 174.62 173.59 2ee0 h ALA 86 N 7.05 1.56 -3.83 11.08 0.00 -1.76 -3.40 119.26 129.96 2ee0 h ALA 86 Ca -0.03 -0.18 -0.41 0.00 0.00 0.00 0.00 54.91 54.29 2ee0 h ALA 86 Cb 0.95 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.45 2ee0 h ALA 86 CO 0.45 0.25 -0.78 0.42 0.00 0.00 0.00 179.25 179.58 2ee0 s ILE 87 N -4.47 0.92 -0.03 0.00 1.01 -1.26 -1.38 121.20 115.99 2ee0 s ILE 87 Ca -0.04 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 59.91 2ee0 s ILE 87 Cb 0.15 -0.82 -0.02 0.00 0.01 0.00 0.00 42.46 41.77 2ee0 s ILE 87 CO 0.68 0.06 -0.21 -1.00 0.00 0.00 0.00 174.94 174.47 2ee0 s HIS 88 N -0.64 2.50 -0.29 3.97 3.76 -0.69 -5.00 115.29 118.90 2ee0 s HIS 88 Ca 0.01 -0.31 0.02 0.00 -0.15 0.00 0.00 55.06 54.63 2ee0 s HIS 88 Cb -0.06 -1.55 0.08 0.00 1.11 0.00 0.00 32.58 32.15 2ee0 s HIS 88 CO 0.00 0.07 -0.00 0.15 -0.85 0.00 0.00 174.74 174.11 2ee0 s LYS 89 N -0.69 1.51 -0.20 1.40 -0.14 -1.26 -2.23 119.74 118.13 2ee0 s LYS 89 Ca 0.11 -1.35 0.00 0.00 -1.36 0.00 0.00 55.97 53.37 2ee0 s LYS 89 Cb -0.10 -2.74 0.02 0.00 -1.68 0.00 0.00 37.83 33.33 2ee0 s LYS 89 CO -0.00 -0.77 -0.16 0.08 -0.76 0.00 0.00 175.35 173.74 2ee0 s VAL 90 N 1.23 2.36 -0.29 3.17 1.01 -1.17 -4.96 120.40 121.75 2ee0 s VAL 90 Ca 0.02 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 60.94 2ee0 s VAL 90 Cb -0.19 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 2ee0 s VAL 90 CO -0.10 0.47 0.43 -0.89 0.00 0.00 0.00 175.10 175.01 2ee0 s THR 91 N 1.32 5.12 -0.14 3.92 2.01 -1.26 -2.12 115.64 124.48 2ee0 s THR 91 Ca 0.04 0.54 -0.09 0.00 0.31 0.00 0.00 61.69 62.49 2ee0 s THR 91 Cb -0.14 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 2ee0 s THR 91 CO -0.10 0.04 0.16 -0.69 -0.69 0.00 0.00 174.62 173.33 2ee0 s VAL 92 N 2.19 5.44 -0.12 3.82 1.01 0.13 0.00 120.40 132.87 2ee0 s VAL 92 Ca 0.17 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.41 2ee0 s VAL 92 Cb -0.16 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 2ee0 s VAL 92 CO 0.11 0.55 -0.15 -0.76 0.00 0.00 0.00 175.10 174.84 2ee0 s LEU 93 N -0.49 2.61 -0.32 3.92 1.43 -1.14 -1.42 118.68 123.26 2ee0 s LEU 93 Ca 0.13 -0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 52.85 2ee0 s LEU 93 Cb -0.12 -1.57 0.06 0.00 0.03 0.00 0.00 46.19 44.59 2ee0 s LEU 93 CO 0.02 0.18 0.05 0.00 0.23 0.00 0.00 176.35 176.84 2ee0 s ALA 94 N 0.24 2.91 -0.25 4.21 0.00 -1.24 -3.01 121.76 124.62 2ee0 s ALA 94 Ca -0.10 -1.86 -0.08 0.00 0.00 0.00 0.00 51.96 49.91 2ee0 s ALA 94 Cb -0.16 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 2ee0 s ALA 94 CO 0.06 -1.36 0.11 0.45 0.00 0.00 0.00 175.76 175.02 2ee0 s SER 95 N 1.36 5.44 -0.17 0.00 0.15 -1.18 -2.65 113.70 116.66 2ee0 s SER 95 Ca -0.03 -0.13 -0.14 0.00 0.70 0.00 0.00 55.95 56.36 2ee0 s SER 95 Cb -0.20 -1.99 -0.08 0.00 -1.71 0.00 0.00 66.02 62.04 2ee0 s SER 95 CO -0.01 -0.03 -0.12 -0.67 1.20 0.00 0.00 173.24 173.62 2ee0 n ASP 96 N 4.87 1.85 0.00 5.45 -0.08 -1.26 -3.36 116.55 124.02 2ee0 n ASP 96 Ca -0.15 0.53 0.00 0.00 -1.51 0.00 0.00 54.79 53.66 2ee0 n ASP 96 Cb 0.52 -0.88 0.00 0.00 2.34 0.00 0.00 41.12 43.10 2ee0 n ASP 96 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ee0 n GLY 97 N 1.53 3.73 2.35 0.27 0.00 -1.26 -4.51 105.19 107.29 2ee0 n GLY 97 Ca -0.17 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.19 2ee0 n GLY 97 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ee0 n SER 98 N 0.00 -1.38 -3.52 1.61 2.88 -1.26 -4.83 113.62 107.13 2ee0 n SER 98 Ca 0.00 0.41 -0.17 0.00 -1.33 0.00 0.00 58.87 57.77 2ee0 n SER 98 Cb 0.00 -1.33 -0.06 0.00 -0.75 0.00 0.00 64.21 62.07 2ee0 n SER 98 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ee0 s SER 99 N -1.91 -0.63 0.38 -3.46 0.15 -1.26 -5.04 113.70 101.93 2ee0 s SER 99 Ca 0.00 0.62 -0.26 0.00 0.70 0.00 0.00 55.95 57.01 2ee0 s SER 99 Cb 0.00 0.54 -0.09 0.00 -1.71 0.00 0.00 66.02 64.76 2ee0 s SER 99 CO 0.00 -0.64 1.21 0.42 1.20 0.00 0.00 173.24 175.43 2ee0 s THR 100 N -1.46 2.99 0.71 6.45 -4.23 -1.26 -4.62 115.64 114.22 2ee0 s THR 100 Ca -0.10 0.88 -0.13 0.00 -1.18 0.00 0.00 61.69 61.17 2ee0 s THR 100 Cb -0.00 -3.52 0.02 0.00 1.34 0.00 0.00 72.50 70.34 2ee0 s THR 100 CO 0.07 0.12 1.10 -2.16 -0.54 0.00 0.00 174.62 173.22 2ee0 s PRO 101 N -2.13 2.56 0.71 3.99 0.04 -1.26 -4.79 135.00 134.11 2ee0 s PRO 101 Ca 0.55 1.29 -0.05 0.00 0.04 0.00 0.00 61.00 62.83 2ee0 s PRO 101 Cb -0.34 -1.93 0.09 0.00 0.04 0.00 0.00 34.50 32.36 2ee0 s PRO 101 CO 0.43 -1.42 0.99 0.00 0.04 0.00 0.00 177.00 177.04 2ee0 s ALA 102 N -2.59 3.34 -0.17 8.56 0.00 -1.08 -4.86 121.76 124.95 2ee0 s ALA 102 Ca 0.64 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 51.38 2ee0 s ALA 102 Cb -0.19 -2.37 0.03 0.00 0.00 0.00 0.00 23.12 20.59 2ee0 s ALA 102 CO 0.48 -1.35 -0.14 1.03 0.00 0.00 0.00 175.76 175.78 2ee0 s ARG 103 N -5.19 2.32 -0.16 0.00 0.52 -1.26 -3.65 118.95 111.52 2ee0 s ARG 103 Ca 0.63 -0.73 0.02 0.00 -0.52 0.00 0.00 55.73 55.12 2ee0 s ARG 103 Cb -0.09 -2.32 0.02 0.00 0.52 0.00 0.00 34.95 33.08 2ee0 s ARG 103 CO 0.44 -0.31 -0.21 0.00 0.02 0.00 0.00 175.30 175.25 2ee0 s ALA 104 N 1.41 2.31 -0.34 2.13 0.00 -0.51 -4.95 121.76 121.81 2ee0 s ALA 104 Ca 0.02 -1.17 -0.13 0.00 0.00 0.00 0.00 51.96 50.69 2ee0 s ALA 104 Cb -0.14 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 2ee0 s ALA 104 CO -0.10 -0.22 0.23 0.99 0.00 0.00 0.00 175.76 176.66 2ee0 s THR 105 N 1.10 5.25 -0.30 0.00 2.01 -1.07 -0.70 115.64 121.93 2ee0 s THR 105 Ca 0.00 -0.21 -0.11 0.00 0.31 0.00 0.00 61.69 61.69 2ee0 s THR 105 Cb -0.14 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 2ee0 s THR 105 CO -0.08 0.01 0.18 -0.69 -0.69 0.00 0.00 174.62 173.34 2ee0 s VAL 106 N 1.72 4.93 -0.47 3.82 1.01 -0.90 -3.23 120.40 127.28 2ee0 s VAL 106 Ca 0.06 -0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.69 2ee0 s VAL 106 Cb -0.17 -3.45 0.06 0.00 0.00 0.00 0.00 36.38 32.81 2ee0 s VAL 106 CO 0.10 0.13 0.43 -0.89 0.00 0.00 0.00 175.10 174.87 2ee0 s THR 107 N 1.68 5.15 -0.43 3.92 2.01 -0.87 -3.04 115.64 124.07 2ee0 s THR 107 Ca 0.06 -0.82 -0.13 0.00 0.31 0.00 0.00 61.69 61.11 2ee0 s THR 107 Cb -0.17 -4.13 0.05 0.00 0.01 0.00 0.00 72.50 68.27 2ee0 s THR 107 CO 0.08 -0.57 0.31 -0.63 -0.69 0.00 0.00 174.62 173.12 2ee0 s ILE 108 N 1.90 4.91 -0.03 1.82 1.01 -0.95 -2.16 121.20 127.71 2ee0 s ILE 108 Ca 0.07 -0.98 -0.20 0.00 0.00 0.00 0.00 60.65 59.54 2ee0 s ILE 108 Cb -0.22 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 2ee0 s ILE 108 CO 0.09 -0.42 0.57 0.20 0.00 0.00 0.00 174.94 175.37 2ee0 s ASN 109 N 2.05 6.91 -0.50 3.58 0.01 -1.07 -1.70 114.94 124.21 2ee0 s ASN 109 Ca 0.04 1.09 -0.17 0.00 -0.71 0.00 0.00 52.86 53.10 2ee0 s ASN 109 Cb -0.22 -2.34 0.07 0.00 0.41 0.00 0.00 41.25 39.17 2ee0 s ASN 109 CO 0.07 0.09 0.53 -0.69 -1.51 0.00 0.00 177.10 175.58 2ee0 s VAL 110 N -0.05 5.04 0.35 1.60 1.01 -0.48 -2.53 120.40 125.34 2ee0 s VAL 110 Ca 0.30 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2ee0 s VAL 110 Cb -0.17 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 2ee0 s VAL 110 CO 0.16 -0.74 0.55 0.42 0.00 0.00 0.00 175.10 175.49 2ee0 s THR 111 N 2.15 5.10 1.06 3.92 -4.23 -1.10 -4.87 115.64 117.67 2ee0 s THR 111 Ca 0.09 -0.45 -0.12 0.00 -1.18 0.00 0.00 61.69 60.03 2ee0 s THR 111 Cb -0.22 -3.86 0.23 0.00 1.34 0.00 0.00 72.50 69.98 2ee0 s THR 111 CO 0.09 -0.56 1.06 1.51 -0.54 0.00 0.00 174.62 176.18 2ee0 s ASP 112 N -4.02 1.93 0.00 3.99 1.47 -1.26 -2.75 116.67 116.03 2ee0 s ASP 112 Ca 0.40 1.43 0.00 0.00 1.18 0.00 0.00 52.55 55.56 2ee0 s ASP 112 Cb -0.10 -2.14 0.00 0.00 -0.34 0.00 0.00 42.92 40.35 2ee0 s ASP 112 CO 0.36 -3.60 0.00 1.33 0.68 0.00 0.00 175.17 173.94 2ee0 n VAL 113 N -4.51 0.00 0.71 2.11 0.24 -1.26 -4.75 118.33 110.88 2ee0 n VAL 113 Ca 0.05 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.43 2ee0 n VAL 113 Cb 0.55 -0.70 0.07 0.00 -1.47 0.00 0.00 33.84 32.30 2ee0 n VAL 113 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49