#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dks n SER 2 N 0.00 -2.08 0.10 1.61 2.88 -1.26 -4.99 113.62 109.87 2dks n SER 2 Ca 0.00 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2dks n SER 2 Cb 0.00 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.36 2dks n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dks n SER 3 N -1.94 0.33 0.00 -3.46 2.88 -1.26 -5.15 113.62 105.02 2dks n SER 3 Ca 0.04 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 2dks n SER 3 Cb 0.58 0.10 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 2dks n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dks n GLY 4 N 2.32 3.18 0.09 0.46 0.00 -1.26 -5.05 105.19 104.93 2dks n GLY 4 Ca 0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 2dks n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dks h SER 5 N 0.00 0.20 -3.10 1.61 4.64 -2.01 -3.43 113.55 111.46 2dks h SER 5 Ca 0.00 -0.97 -0.56 0.00 -0.47 0.00 0.00 61.79 59.79 2dks h SER 5 Cb 0.00 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 61.98 2dks h SER 5 CO 0.00 1.18 1.11 -0.55 -0.87 0.00 0.00 176.83 177.70 2dks s SER 6 N -6.55 6.21 0.00 4.97 0.15 -1.26 -4.76 113.70 112.46 2dks s SER 6 Ca -0.17 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.26 2dks s SER 6 Cb -0.01 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2dks s SER 6 CO 0.75 -1.54 0.00 0.61 1.20 0.00 0.00 173.24 174.25 2dks n GLY 7 N 5.18 3.20 3.40 9.45 0.00 -1.26 -5.10 105.19 120.06 2dks n GLY 7 Ca 0.17 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 2dks n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dks s THR 8 N -0.88 1.57 0.17 2.61 -4.23 -1.26 -5.01 115.64 108.61 2dks s THR 8 Ca 0.00 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.58 2dks s THR 8 Cb 0.00 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.68 2dks s THR 8 CO 0.00 0.00 -0.15 0.00 -0.54 0.00 0.00 174.62 173.93 2dks s ALA 9 N -2.42 1.82 -0.28 3.99 0.00 -1.26 -5.10 121.76 118.51 2dks s ALA 9 Ca 0.69 -1.51 -0.17 0.00 0.00 0.00 0.00 51.96 50.97 2dks s ALA 9 Cb -0.18 -0.09 0.10 0.00 0.00 0.00 0.00 23.12 22.95 2dks s ALA 9 CO 0.60 0.10 0.78 1.14 0.00 0.00 0.00 175.76 178.39 2dks s GLN 10 N -3.21 0.61 -0.08 0.00 -2.07 -1.26 -5.13 119.66 108.53 2dks s GLN 10 Ca 0.17 1.04 -0.39 0.00 -1.82 0.00 0.00 55.36 54.36 2dks s GLN 10 Cb -0.03 0.13 -0.17 0.00 -1.09 0.00 0.00 33.01 31.86 2dks s GLN 10 CO 0.05 -0.13 1.49 -0.11 -1.32 0.00 0.00 175.29 175.27 2dks n LEU 11 N 4.02 1.83 -4.27 2.60 0.00 -1.25 -4.64 117.00 115.29 2dks n LEU 11 Ca -0.19 1.11 -0.16 0.00 0.00 0.00 0.00 56.01 56.76 2dks n LEU 11 Cb 0.58 -1.15 -0.09 0.00 0.00 0.00 0.00 43.42 42.76 2dks n LEU 11 CO -0.00 -0.85 -0.20 0.28 0.00 0.00 0.00 177.39 176.61 2dks s THR 12 N 1.70 0.17 -0.03 1.96 -1.32 -0.89 -4.90 115.64 112.33 2dks s THR 12 Ca 0.91 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 59.38 2dks s THR 12 Cb -1.03 -2.52 0.03 0.00 -1.51 0.00 0.00 72.50 67.47 2dks s THR 12 CO 0.56 0.00 0.05 -0.63 -2.21 0.00 0.00 174.62 172.39 2dks s ILE 13 N -3.80 -0.09 -0.19 5.08 1.01 -1.26 -1.51 121.20 120.45 2dks s ILE 13 Ca 0.38 0.32 -0.01 0.00 0.00 0.00 0.00 60.65 61.34 2dks s ILE 13 Cb 0.06 -0.13 0.01 0.00 0.01 0.00 0.00 42.46 42.41 2dks s ILE 13 CO 0.17 0.13 -0.14 -0.70 0.00 0.00 0.00 174.94 174.41 2dks s GLU 14 N 1.63 3.17 0.33 2.79 2.12 -0.74 -4.82 118.70 123.18 2dks s GLU 14 Ca -0.02 -0.74 -0.28 0.00 0.36 0.00 0.00 54.97 54.29 2dks s GLU 14 Cb -0.12 -2.73 -0.09 0.00 0.26 0.00 0.00 34.13 31.44 2dks s GLU 14 CO -0.03 -0.16 1.18 0.00 -0.54 0.00 0.00 175.26 175.71 2dks s ALA 15 N 1.25 3.35 -0.22 6.30 0.00 -1.26 -1.24 121.76 129.94 2dks s ALA 15 Ca 0.03 1.03 -0.04 0.00 0.00 0.00 0.00 51.96 52.98 2dks s ALA 15 Cb -0.14 -3.39 0.09 0.00 0.00 0.00 0.00 23.12 19.68 2dks s ALA 15 CO -0.07 -0.42 0.18 0.08 0.00 0.00 0.00 175.76 175.53 2dks s VAL 16 N -1.24 -0.23 0.67 0.00 1.01 0.00 -3.42 120.40 117.19 2dks s VAL 16 Ca 0.50 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 2dks s VAL 16 Cb -0.34 -0.73 0.17 0.00 0.00 0.00 0.00 36.38 35.48 2dks s VAL 16 CO 0.44 -0.33 0.59 -0.81 0.00 0.00 0.00 175.10 174.99 2dks n PRO 17 N 5.30 -2.18 0.11 2.72 -0.04 -1.26 -0.10 135.00 139.54 2dks n PRO 17 Ca -0.06 -0.95 0.08 0.00 -0.04 0.00 0.00 63.50 62.54 2dks n PRO 17 Cb 0.48 -0.89 0.01 0.00 -0.04 0.00 0.00 33.50 33.06 2dks n PRO 17 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dks h SER 18 N -1.95 0.00 -1.57 3.54 0.87 -1.94 -3.44 113.55 109.06 2dks h SER 18 Ca -0.22 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.23 2dks h SER 18 Cb 0.68 0.00 -0.27 0.00 -0.44 0.00 0.00 62.40 62.37 2dks h SER 18 CO 0.15 0.19 -0.45 0.54 -0.53 0.00 0.00 176.83 176.72 2dks s ASN 19 N -5.72 -0.20 0.59 6.23 6.03 -1.26 -3.30 114.94 117.31 2dks s ASN 19 Ca 0.01 0.11 0.09 0.00 -1.03 0.00 0.00 52.86 52.04 2dks s ASN 19 Cb 0.08 1.40 0.09 0.00 -3.03 0.00 0.00 41.25 39.79 2dks s ASN 19 CO 0.77 -0.31 0.72 0.00 -2.03 0.00 0.00 177.10 176.25 2dks s ALA 20 N 2.63 4.69 0.14 3.54 0.00 -1.06 -4.92 121.76 126.78 2dks s ALA 20 Ca 0.13 -1.94 0.08 0.00 0.00 0.00 0.00 51.96 50.23 2dks s ALA 20 Cb -0.14 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 2dks s ALA 20 CO -0.23 -0.83 -0.13 0.00 0.00 0.00 0.00 175.76 174.57 2dks s ALA 21 N -2.74 2.85 -0.15 0.00 0.00 -1.26 -1.57 121.76 118.89 2dks s ALA 21 Ca 0.55 -1.37 -0.42 0.00 0.00 0.00 0.00 51.96 50.72 2dks s ALA 21 Cb -0.04 -0.75 -0.19 0.00 0.00 0.00 0.00 23.12 22.14 2dks s ALA 21 CO 0.35 0.56 1.28 0.39 0.00 0.00 0.00 175.76 178.34 2dks n GLU 22 N 0.50 0.18 0.00 0.00 1.02 -1.23 0.35 120.64 121.46 2dks n GLU 22 Ca -0.13 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2dks n GLU 22 Cb 0.54 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 2dks n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dks n GLY 23 N 2.46 0.85 2.69 0.62 0.00 -0.61 -4.94 105.19 106.27 2dks n GLY 23 Ca 0.23 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 2dks n GLY 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dks n LYS 24 N -2.00 -0.39 -4.79 1.61 4.76 0.16 -4.07 118.16 113.43 2dks n LYS 24 Ca 0.00 -1.67 -0.28 0.00 -2.87 0.00 0.00 58.31 53.50 2dks n LYS 24 Cb 0.00 -0.71 -0.14 0.00 -1.84 0.00 0.00 35.03 32.34 2dks n LYS 24 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2dks s GLU 25 N -4.65 1.59 -0.10 1.97 8.01 -1.26 -1.00 118.70 123.26 2dks s GLU 25 Ca 0.49 -0.99 -0.00 0.00 0.01 0.00 0.00 54.97 54.48 2dks s GLU 25 Cb -0.02 -1.71 0.02 0.00 -4.31 0.00 0.00 34.13 28.12 2dks s GLU 25 CO 0.34 0.44 -0.07 0.08 0.01 0.00 0.00 175.26 176.06 2dks s VAL 26 N -0.77 0.94 -0.40 2.63 1.01 0.88 -4.49 120.40 120.20 2dks s VAL 26 Ca 0.09 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 61.69 2dks s VAL 26 Cb -0.09 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.35 2dks s VAL 26 CO 0.02 0.35 0.27 -0.22 0.00 0.00 0.00 175.10 175.52 2dks s LEU 27 N 1.64 5.00 -0.72 3.92 2.96 0.86 -0.28 118.68 132.06 2dks s LEU 27 Ca 0.03 -0.97 -0.24 0.00 -0.22 0.00 0.00 54.13 52.73 2dks s LEU 27 Cb -0.13 -2.11 0.06 0.00 0.50 0.00 0.00 46.19 44.51 2dks s LEU 27 CO -0.07 -0.44 1.10 -0.76 -1.32 0.00 0.00 176.35 174.87 2dks s LEU 28 N 1.63 3.96 0.88 -0.68 1.43 -0.75 -0.82 118.68 124.33 2dks s LEU 28 Ca 0.04 -0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 52.14 2dks s LEU 28 Cb -0.19 -2.47 0.12 0.00 0.03 0.00 0.00 46.19 43.67 2dks s LEU 28 CO 0.09 -1.56 1.15 -0.76 0.23 0.00 0.00 176.35 175.49 2dks s LEU 29 N 4.61 2.17 0.04 1.79 1.43 -0.38 -2.89 118.68 125.46 2dks s LEU 29 Ca 0.28 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 2dks s LEU 29 Cb -0.12 -3.29 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 2dks s LEU 29 CO 0.10 -2.35 -0.04 -0.69 0.23 0.00 0.00 176.35 173.60 2dks s VAL 30 N -3.37 0.26 0.18 -1.59 1.01 -1.26 -1.79 120.40 113.84 2dks s VAL 30 Ca 0.63 -1.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 2dks s VAL 30 Cb -0.14 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2dks s VAL 30 CO 0.52 -0.73 0.13 -1.00 0.00 0.00 0.00 175.10 174.02 2dks s HIS 31 N -2.66 0.99 -1.45 5.22 0.09 -0.57 -4.85 115.29 112.06 2dks s HIS 31 Ca -0.03 -1.27 0.00 0.00 -0.00 0.00 0.00 55.06 53.76 2dks s HIS 31 Cb -0.01 -0.47 0.00 0.00 -0.00 0.00 0.00 32.58 32.09 2dks s HIS 31 CO -0.05 -0.62 0.00 0.09 -0.00 0.00 0.00 174.74 174.16 2dks n ASN 32 N -0.21 -4.70 -4.46 1.40 3.02 -1.26 -2.10 115.26 106.95 2dks n ASN 32 Ca -0.01 0.16 -0.33 0.00 -0.03 0.00 0.00 54.58 54.38 2dks n ASN 32 Cb 0.65 -4.01 0.13 0.00 -0.61 0.00 0.00 39.78 35.94 2dks n ASN 32 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2dks n LEU 33 N -2.73 0.44 -4.60 3.41 4.77 -1.26 -3.79 117.00 113.24 2dks n LEU 33 Ca -0.19 0.34 -0.30 0.00 -0.03 0.00 0.00 56.01 55.84 2dks n LEU 33 Cb 0.62 -1.26 0.23 0.00 -2.33 0.00 0.00 43.42 40.69 2dks n LEU 33 CO 0.23 -3.35 0.62 -2.16 -1.33 0.00 0.00 177.39 171.40 2dks s PRO 34 N -3.83 -1.01 -0.02 3.23 0.04 -1.26 -5.00 135.00 127.14 2dks s PRO 34 Ca 0.59 0.01 -0.23 0.00 0.04 0.00 0.00 61.00 61.41 2dks s PRO 34 Cb -0.21 -1.61 -0.16 0.00 0.04 0.00 0.00 34.50 32.55 2dks s PRO 34 CO 0.66 -3.59 1.03 -0.56 0.04 0.00 0.00 177.00 174.58 2dks h GLN 35 N -2.49 -0.31 -2.81 4.56 3.07 -2.00 -3.41 115.11 111.72 2dks h GLN 35 Ca -0.46 0.02 -0.59 0.00 0.09 0.00 0.00 58.65 57.70 2dks h GLN 35 Cb 1.30 0.07 -0.40 0.00 0.08 0.00 0.00 27.48 28.53 2dks h GLN 35 CO 0.38 0.06 -0.79 -0.51 0.09 0.00 0.00 178.83 178.05 2dks s ASP 36 N -5.27 3.33 -0.78 0.06 1.11 -1.26 -5.08 116.67 108.79 2dks s ASP 36 Ca -0.13 -2.37 -0.25 0.00 0.18 0.00 0.00 52.55 49.98 2dks s ASP 36 Cb 0.01 -0.72 -0.04 0.00 1.07 0.00 0.00 42.92 43.25 2dks s ASP 36 CO 0.50 -0.29 1.91 -2.16 1.18 0.00 0.00 175.17 176.30 2dks s PRO 37 N 0.76 2.58 0.45 8.23 0.04 -1.26 -2.63 135.00 143.16 2dks s PRO 37 Ca 0.17 0.08 0.29 0.00 0.04 0.00 0.00 61.00 61.59 2dks s PRO 37 Cb -0.24 -4.78 1.36 0.00 0.04 0.00 0.00 34.50 30.89 2dks s PRO 37 CO -0.00 -3.11 1.69 -0.09 0.04 0.00 0.00 177.00 175.53 2dks h ARG 38 N 12.83 0.16 0.00 4.56 2.43 0.28 -3.42 114.38 131.22 2dks h ARG 38 Ca -0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2dks h ARG 38 Cb 1.07 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2dks h ARG 38 CO 1.21 0.11 0.00 0.41 -1.51 0.00 0.00 179.97 180.19 2dks n GLY 39 N -1.57 1.30 3.89 2.80 0.00 -1.10 -1.60 105.19 108.91 2dks n GLY 39 Ca 0.33 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 2dks n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dks s TYR 40 N -1.53 3.48 -0.20 1.61 2.02 0.67 -1.76 117.35 121.65 2dks s TYR 40 Ca 0.00 0.64 -0.04 0.00 -0.37 0.00 0.00 57.07 57.30 2dks s TYR 40 Cb 0.00 -2.07 0.09 0.00 -0.40 0.00 0.00 41.96 39.58 2dks s TYR 40 CO 0.00 0.41 0.22 -0.80 -1.57 0.00 0.00 175.55 173.82 2dks s ASN 41 N -2.33 1.30 0.16 2.29 0.01 -0.35 -0.29 114.94 115.73 2dks s ASN 41 Ca 0.41 -0.16 -0.03 0.00 -0.71 0.00 0.00 52.86 52.36 2dks s ASN 41 Cb -0.12 0.40 -0.05 0.00 0.41 0.00 0.00 41.25 41.89 2dks s ASN 41 CO 0.23 -0.32 0.38 0.26 -1.51 0.00 0.00 177.10 176.14 2dks s TRP 42 N 2.33 3.48 0.10 2.20 0.52 -0.44 -0.70 118.94 126.44 2dks s TRP 42 Ca 0.07 0.49 -0.01 0.00 0.02 0.00 0.00 56.10 56.67 2dks s TRP 42 Cb -0.15 -1.96 -0.04 0.00 -1.15 0.00 0.00 33.47 30.17 2dks s TRP 42 CO -0.12 0.41 0.01 0.71 0.02 0.00 0.00 176.95 177.99 2dks s TYR 43 N -1.73 0.78 -0.45 -1.98 1.51 0.16 -1.48 117.35 114.15 2dks s TYR 43 Ca 0.40 -1.13 -0.12 0.00 -1.01 0.00 0.00 57.07 55.21 2dks s TYR 43 Cb -0.12 -0.47 0.08 0.00 -0.11 0.00 0.00 41.96 41.34 2dks s TYR 43 CO 0.26 -0.41 0.33 0.21 -1.11 0.00 0.00 175.55 174.83 2dks s LYS 44 N -3.98 2.75 0.00 -0.62 2.20 0.18 -2.41 119.74 117.87 2dks s LYS 44 Ca 0.17 -1.46 0.00 0.00 -0.36 0.00 0.00 55.97 54.32 2dks s LYS 44 Cb 0.07 -3.95 0.00 0.00 -1.51 0.00 0.00 37.83 32.44 2dks s LYS 44 CO -0.03 -1.03 0.00 0.41 -0.36 0.00 0.00 175.35 174.35 2dks n GLY 45 N 5.04 0.37 1.15 5.54 0.00 0.39 -4.75 105.19 112.92 2dks n GLY 45 Ca -0.11 -2.01 -0.05 0.00 0.00 0.00 0.00 46.02 43.85 2dks n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dks n GLU 46 N 0.00 2.12 -3.88 1.61 1.02 -1.26 -2.14 120.64 118.11 2dks n GLU 46 Ca 0.00 -3.45 -0.11 0.00 -0.02 0.00 0.00 57.16 53.58 2dks n GLU 46 Cb 0.00 -1.85 -0.12 0.00 -0.02 0.00 0.00 31.44 29.45 2dks n GLU 46 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2dks s THR 47 N -3.58 0.04 -0.84 2.62 -4.23 -1.26 -5.04 115.64 103.35 2dks s THR 47 Ca 0.44 -0.34 -0.03 0.00 -1.18 0.00 0.00 61.69 60.58 2dks s THR 47 Cb 0.40 -0.21 0.20 0.00 1.34 0.00 0.00 72.50 74.23 2dks s THR 47 CO -0.02 -0.18 2.32 0.52 -0.54 0.00 0.00 174.62 176.72 2dks n VAL 48 N 2.42 4.27 -4.14 2.29 0.31 -1.26 -4.67 118.33 117.54 2dks n VAL 48 Ca -0.17 -4.14 -0.34 0.00 -0.01 0.00 0.00 64.34 59.68 2dks n VAL 48 Cb 0.58 -1.58 -0.07 0.00 -0.91 0.00 0.00 33.84 31.85 2dks n VAL 48 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2dks s ASP 49 N -0.34 5.67 0.33 4.52 1.01 -1.26 -5.01 116.67 121.59 2dks s ASP 49 Ca 0.53 0.20 0.01 0.00 0.71 0.00 0.00 52.55 53.99 2dks s ASP 49 Cb 0.33 -1.66 0.56 0.00 1.01 0.00 0.00 42.92 43.16 2dks s ASP 49 CO -0.24 0.32 1.98 0.00 0.21 0.00 0.00 175.17 177.45 2dks h ALA 50 N 4.53 1.50 0.00 5.23 0.00 -1.95 0.10 119.26 128.67 2dks h ALA 50 Ca -0.51 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2dks h ALA 50 Cb 1.19 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2dks h ALA 50 CO 0.59 0.45 0.10 0.09 0.00 0.00 0.00 179.25 180.48 2dks n ASN 51 N -4.43 0.34 0.00 0.00 3.02 -1.26 -0.57 115.26 112.36 2dks n ASN 51 Ca 0.08 0.61 0.00 0.00 -0.03 0.00 0.00 54.58 55.24 2dks n ASN 51 Cb 0.06 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 2dks n ASN 51 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2dks n ARG 52 N -1.96 0.52 -1.69 3.52 5.12 -0.27 -4.70 116.66 117.21 2dks n ARG 52 Ca -0.01 -0.29 -0.44 0.00 -1.93 0.00 0.00 57.85 55.18 2dks n ARG 52 Cb 0.12 -0.76 -0.03 0.00 -1.16 0.00 0.00 32.46 30.62 2dks n ARG 52 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2dks n ARG 53 N -0.16 2.32 -0.09 5.56 0.63 0.27 -0.65 116.66 124.54 2dks n ARG 53 Ca 0.00 0.83 -0.16 0.00 -0.92 0.00 0.00 57.85 57.60 2dks n ARG 53 Cb 0.05 -2.59 -0.08 0.00 0.45 0.00 0.00 32.46 30.29 2dks n ARG 53 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2dks n ILE 54 N 3.02 1.49 -3.62 5.15 5.41 -0.55 -1.93 119.36 128.32 2dks n ILE 54 Ca 0.14 0.04 -0.11 0.00 1.00 0.00 0.00 62.75 63.83 2dks n ILE 54 Cb 0.32 -2.17 -0.07 0.00 -0.71 0.00 0.00 39.64 37.01 2dks n ILE 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 2dks s ILE 55 N -2.36 0.00 -0.02 1.39 2.07 -1.20 -1.46 121.20 119.63 2dks s ILE 55 Ca -0.25 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.04 2dks s ILE 55 Cb 0.05 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.63 2dks s ILE 55 CO 0.44 0.00 -0.14 -0.83 -1.91 0.00 0.00 174.94 172.50 2dks s GLY 56 N 0.01 0.72 -0.03 1.50 0.00 -0.76 -1.32 107.32 107.42 2dks s GLY 56 Ca 0.01 -0.61 0.04 0.00 0.00 0.00 0.00 44.72 44.16 2dks s GLY 56 CO -0.03 -0.47 -0.14 -0.47 0.00 0.00 0.00 173.10 171.99 2dks s TYR 57 N -0.26 1.42 -0.27 1.90 5.04 0.61 -0.30 117.35 125.49 2dks s TYR 57 Ca 0.04 -0.38 -0.02 0.00 -2.44 0.00 0.00 57.07 54.26 2dks s TYR 57 Cb -0.06 -0.97 0.03 0.00 0.35 0.00 0.00 41.96 41.31 2dks s TYR 57 CO -0.00 -0.13 -0.02 0.08 -1.34 0.00 0.00 175.55 174.13 2dks s VAL 58 N 0.06 3.07 0.20 3.14 1.01 0.66 -0.24 120.40 128.30 2dks s VAL 58 Ca -0.03 -1.07 -0.07 0.00 0.00 0.00 0.00 61.98 60.81 2dks s VAL 58 Cb -0.10 -2.62 0.07 0.00 0.00 0.00 0.00 36.38 33.74 2dks s VAL 58 CO 0.01 0.10 1.66 0.40 0.00 0.00 0.00 175.10 177.28 2dks h ILE 59 N 6.18 1.26 -0.78 2.22 2.04 -1.55 1.64 117.51 128.53 2dks h ILE 59 Ca -0.29 -1.15 0.10 0.00 1.00 0.00 0.00 64.86 64.51 2dks h ILE 59 Cb 1.10 0.84 -0.12 0.00 -0.74 0.00 0.00 36.82 37.90 2dks h ILE 59 CO 0.57 0.41 -0.50 -1.28 0.00 0.00 0.00 178.15 177.35 2dks h SER 60 N 0.91 -1.78 -0.20 1.72 0.87 -1.86 -1.93 113.55 111.29 2dks h SER 60 Ca 0.16 0.29 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 2dks h SER 60 Cb 0.56 0.81 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2dks h SER 60 CO 0.03 -0.30 0.00 -0.46 -0.53 0.00 0.00 176.83 175.57 2dks n ASN 61 N -5.36 2.55 -3.77 6.23 0.23 -1.21 -4.99 115.26 108.94 2dks n ASN 61 Ca 0.03 -1.75 -0.23 0.00 -0.53 0.00 0.00 54.58 52.10 2dks n ASN 61 Cb 0.33 -0.12 0.02 0.00 -2.08 0.00 0.00 39.78 37.92 2dks n ASN 61 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2dks n GLN 62 N 0.72 -4.62 -4.14 -3.83 6.02 0.54 -4.98 117.38 107.10 2dks n GLN 62 Ca 0.10 0.57 -0.28 0.00 -0.01 0.00 0.00 57.00 57.38 2dks n GLN 62 Cb 0.39 -5.07 -0.07 0.00 1.02 0.00 0.00 30.24 26.50 2dks n GLN 62 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2dks s GLN 63 N -6.14 2.57 -0.09 -1.09 0.74 -0.26 -4.90 119.66 110.50 2dks s GLN 63 Ca 0.05 -0.92 0.03 0.00 0.05 0.00 0.00 55.36 54.57 2dks s GLN 63 Cb -0.03 -2.51 0.01 0.00 1.10 0.00 0.00 33.01 31.58 2dks s GLN 63 CO 0.83 0.51 -0.18 0.42 -0.55 0.00 0.00 175.29 176.32 2dks s ILE 64 N -1.51 1.59 -0.33 -2.34 1.01 -1.26 -0.25 121.20 118.11 2dks s ILE 64 Ca 0.27 -0.74 -0.00 0.00 0.00 0.00 0.00 60.65 60.18 2dks s ILE 64 Cb -0.11 -1.41 0.11 0.00 0.01 0.00 0.00 42.46 41.06 2dks s ILE 64 CO 0.19 0.46 0.13 -0.89 0.00 0.00 0.00 174.94 174.83 2dks s THR 65 N 0.55 0.85 0.22 2.92 2.01 0.59 -5.00 115.64 117.78 2dks s THR 65 Ca -0.16 -1.56 -0.30 0.00 0.31 0.00 0.00 61.69 59.98 2dks s THR 65 Cb -0.17 -1.64 -0.09 0.00 0.01 0.00 0.00 72.50 70.62 2dks s THR 65 CO 0.06 -0.74 1.29 -2.16 -0.69 0.00 0.00 174.62 172.38 2dks s PRO 66 N 1.41 4.41 0.00 4.92 0.04 -1.26 -1.83 135.00 142.69 2dks s PRO 66 Ca 0.12 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2dks s PRO 66 Cb -0.19 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2dks s PRO 66 CO -0.20 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.05 2dks n GLY 67 N 2.02 -0.54 0.18 0.56 0.00 -0.53 -4.92 105.19 101.95 2dks n GLY 67 Ca 0.04 -1.75 -0.02 0.00 0.00 0.00 0.00 46.02 44.30 2dks n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dks h PRO 68 N 0.00 0.17 -0.99 1.61 0.13 -1.71 -2.95 132.00 128.26 2dks h PRO 68 Ca 0.00 -0.09 -0.10 0.00 -0.87 0.00 0.00 66.00 64.94 2dks h PRO 68 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 2dks h PRO 68 CO 0.00 0.61 0.13 0.00 -0.23 0.00 0.00 178.00 178.50 2dks n ALA 69 N -2.47 3.14 -2.78 -0.56 0.00 -0.81 -4.86 120.51 112.17 2dks n ALA 69 Ca -0.02 -0.62 -0.36 0.00 0.00 0.00 0.00 53.44 52.44 2dks n ALA 69 Cb 0.51 -1.09 -0.07 0.00 0.00 0.00 0.00 19.45 18.81 2dks n ALA 69 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2dks s TYR 70 N -0.84 3.54 0.00 0.00 5.04 -1.12 -4.64 117.35 119.33 2dks s TYR 70 Ca 0.13 0.51 0.00 0.00 -2.44 0.00 0.00 57.07 55.27 2dks s TYR 70 Cb 0.11 -2.08 0.00 0.00 0.35 0.00 0.00 41.96 40.33 2dks s TYR 70 CO 0.03 0.54 0.84 -1.13 -1.34 0.00 0.00 175.55 174.48 2dks n SER 71 N 2.62 1.52 -1.54 4.32 3.41 -1.26 -4.98 113.62 117.71 2dks n SER 71 Ca -0.17 -1.70 -0.16 0.00 -0.26 0.00 0.00 58.87 56.58 2dks n SER 71 Cb 0.53 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 2dks n SER 71 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2dks n ASN 72 N -0.35 -4.76 -0.00 4.04 4.13 -1.26 -4.85 115.26 112.21 2dks n ASN 72 Ca 0.00 0.15 0.03 0.00 1.68 0.00 0.00 54.58 56.44 2dks n ASN 72 Cb 0.26 -3.78 -0.04 0.00 -1.54 0.00 0.00 39.78 34.68 2dks n ASN 72 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2dks n ARG 73 N -2.52 2.90 -3.98 3.52 1.74 -1.26 -5.02 116.66 112.03 2dks n ARG 73 Ca -0.17 -0.02 -0.23 0.00 -0.77 0.00 0.00 57.85 56.65 2dks n ARG 73 Cb 0.59 -0.94 -0.03 0.00 -1.02 0.00 0.00 32.46 31.06 2dks n ARG 73 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2dks s GLU 74 N -1.95 3.38 -0.12 5.56 8.01 -1.26 -2.66 118.70 129.66 2dks s GLU 74 Ca 0.00 -0.74 -0.06 0.00 0.01 0.00 0.00 54.97 54.19 2dks s GLU 74 Cb 0.04 -2.88 0.06 0.00 -4.31 0.00 0.00 34.13 27.04 2dks s GLU 74 CO 0.25 0.46 0.28 0.99 0.01 0.00 0.00 175.26 177.25 2dks s THR 75 N -1.91 -0.17 0.82 3.63 2.01 -0.83 -4.95 115.64 114.24 2dks s THR 75 Ca 0.34 0.18 -0.12 0.00 0.31 0.00 0.00 61.69 62.40 2dks s THR 75 Cb -0.10 -0.44 0.08 0.00 0.01 0.00 0.00 72.50 72.06 2dks s THR 75 CO 0.28 0.07 1.12 -0.63 -0.69 0.00 0.00 174.62 174.78 2dks s ILE 76 N 1.68 2.68 0.14 1.82 1.09 -1.26 -0.39 121.20 126.96 2dks s ILE 76 Ca -0.06 0.22 0.03 0.00 -1.10 0.00 0.00 60.65 59.74 2dks s ILE 76 Cb -0.11 -3.03 -0.04 0.00 -1.06 0.00 0.00 42.46 38.22 2dks s ILE 76 CO -0.09 -0.29 -0.07 -0.31 -0.10 0.00 0.00 174.94 174.08 2dks s TYR 77 N -3.27 1.15 -2.00 3.97 1.51 0.19 -4.86 117.35 114.04 2dks s TYR 77 Ca 0.61 -0.85 0.12 0.00 -1.01 0.00 0.00 57.07 55.95 2dks s TYR 77 Cb -0.14 -0.62 0.72 0.00 -0.11 0.00 0.00 41.96 41.81 2dks s TYR 77 CO 0.53 -0.03 1.15 -0.35 -1.11 0.00 0.00 175.55 175.74 2dks n PRO 78 N -0.17 0.49 -0.10 -1.71 -0.04 -1.26 -1.88 135.00 130.33 2dks n PRO 78 Ca -0.10 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.41 2dks n PRO 78 Cb 0.61 -1.39 0.10 0.00 -0.04 0.00 0.00 33.50 32.79 2dks n PRO 78 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2dks n ASN 79 N -0.89 2.45 -0.55 3.54 5.15 -1.26 -4.96 115.26 118.75 2dks n ASN 79 Ca 0.09 -2.53 -0.06 0.00 -0.60 0.00 0.00 54.58 51.49 2dks n ASN 79 Cb 0.04 -0.25 -0.01 0.00 -0.53 0.00 0.00 39.78 39.03 2dks n ASN 79 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dks n ALA 80 N -0.74 -0.13 -2.81 5.20 0.00 -0.79 -4.55 120.51 116.68 2dks n ALA 80 Ca 0.10 0.07 -0.25 0.00 0.00 0.00 0.00 53.44 53.36 2dks n ALA 80 Cb 0.49 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 2dks n ALA 80 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dks s SER 81 N -2.83 5.56 -0.07 0.00 0.01 -1.25 -4.75 113.70 110.36 2dks s SER 81 Ca 0.00 -0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.11 2dks s SER 81 Cb 0.00 -1.45 0.02 0.00 0.21 0.00 0.00 66.02 64.80 2dks s SER 81 CO 0.00 0.03 -0.08 -0.22 0.41 0.00 0.00 173.24 173.38 2dks s LEU 82 N -3.38 1.37 -0.29 2.44 2.96 -1.14 0.54 118.68 121.18 2dks s LEU 82 Ca 0.32 -0.22 -0.15 0.00 -0.22 0.00 0.00 54.13 53.86 2dks s LEU 82 Cb -0.09 -0.67 -0.03 0.00 0.50 0.00 0.00 46.19 45.90 2dks s LEU 82 CO 0.24 -0.04 0.35 -0.22 -1.32 0.00 0.00 176.35 175.36 2dks s LEU 83 N 1.05 4.13 -0.40 -0.68 2.96 0.48 -1.81 118.68 124.41 2dks s LEU 83 Ca -0.08 0.12 -0.14 0.00 -0.22 0.00 0.00 54.13 53.81 2dks s LEU 83 Cb -0.14 -2.37 0.02 0.00 0.50 0.00 0.00 46.19 44.20 2dks s LEU 83 CO -0.00 -0.21 0.28 -0.32 -1.32 0.00 0.00 176.35 174.78 2dks s MET 84 N 2.03 2.99 0.32 1.98 -2.45 0.61 -1.96 119.30 122.81 2dks s MET 84 Ca 0.13 -1.00 0.01 0.00 -1.25 0.00 0.00 55.69 53.58 2dks s MET 84 Cb -0.16 -3.93 -0.03 0.00 1.25 0.00 0.00 34.83 31.96 2dks s MET 84 CO 0.11 -0.72 0.51 1.03 1.05 0.00 0.00 175.02 176.99 2dks s ARG 85 N 1.66 3.48 -1.47 4.11 0.52 -1.09 -0.09 118.95 126.09 2dks s ARG 85 Ca 0.05 -0.40 -0.07 0.00 -0.52 0.00 0.00 55.73 54.79 2dks s ARG 85 Cb -0.19 -2.71 0.01 0.00 0.52 0.00 0.00 34.95 32.58 2dks s ARG 85 CO 0.09 0.21 0.12 0.09 0.02 0.00 0.00 175.30 175.84 2dks n ASN 86 N -1.63 0.02 -4.14 0.23 3.02 -0.75 -4.87 115.26 107.14 2dks n ASN 86 Ca -0.05 -1.27 -0.29 0.00 -0.03 0.00 0.00 54.58 52.94 2dks n ASN 86 Cb 0.56 -1.57 0.24 0.00 -0.61 0.00 0.00 39.78 38.41 2dks n ASN 86 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2dks n VAL 87 N -4.64 0.00 -3.77 2.41 0.24 -0.17 -4.52 118.33 107.88 2dks n VAL 87 Ca -0.29 -0.34 -0.11 0.00 -2.04 0.00 0.00 64.34 61.57 2dks n VAL 87 Cb 0.66 -0.87 -0.07 0.00 -1.47 0.00 0.00 33.84 32.10 2dks n VAL 87 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2dks s THR 88 N -2.28 0.10 0.58 3.34 -4.23 -1.26 -1.57 115.64 110.32 2dks s THR 88 Ca 0.63 -0.80 0.28 0.00 -1.18 0.00 0.00 61.69 60.63 2dks s THR 88 Cb -0.19 -1.05 0.39 0.00 1.34 0.00 0.00 72.50 72.99 2dks s THR 88 CO 0.62 -0.44 1.95 0.08 -0.54 0.00 0.00 174.62 176.29 2dks h ARG 89 N 3.04 0.00 -0.19 3.99 0.11 -1.96 0.34 114.38 119.70 2dks h ARG 89 Ca -0.33 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.60 2dks h ARG 89 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2dks h ARG 89 CO 0.49 0.00 -0.50 -0.97 0.10 0.00 0.00 179.97 179.09 2dks h ASN 90 N 0.00 0.77 -1.04 0.08 -0.73 -1.95 -3.15 115.58 109.55 2dks h ASN 90 Ca 0.21 -0.58 0.27 0.00 1.87 0.00 0.00 56.30 58.08 2dks h ASN 90 Cb 1.06 -0.22 -0.11 0.00 0.27 0.00 0.00 38.32 39.31 2dks h ASN 90 CO -0.00 1.21 0.65 0.44 -0.37 0.00 0.00 177.43 179.36 2dks h ASP 91 N 0.37 0.52 -1.76 1.15 3.32 -1.32 -3.41 116.42 115.28 2dks h ASP 91 Ca -0.01 0.11 -0.67 0.00 0.02 0.00 0.00 57.03 56.48 2dks h ASP 91 Cb 1.12 0.03 0.06 0.00 0.22 0.00 0.00 39.33 40.76 2dks h ASP 91 CO 0.11 0.06 0.40 0.41 -1.72 0.00 0.00 179.24 178.50 2dks n THR 92 N -4.75 0.26 0.00 0.35 -1.04 -1.19 -4.52 114.28 103.38 2dks n THR 92 Ca 0.27 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 2dks n THR 92 Cb 0.88 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 68.56 2dks n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dks n GLY 93 N 2.38 -1.14 3.20 3.41 0.00 -1.26 -5.05 105.19 106.74 2dks n GLY 93 Ca 0.17 0.42 -0.13 0.00 0.00 0.00 0.00 46.02 46.49 2dks n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dks s SER 94 N -4.00 -0.31 -0.34 1.61 0.01 -1.26 -4.79 113.70 104.62 2dks s SER 94 Ca 0.00 0.58 -0.01 0.00 1.31 0.00 0.00 55.95 57.84 2dks s SER 94 Cb 0.00 0.61 0.11 0.00 0.21 0.00 0.00 66.02 66.95 2dks s SER 94 CO 0.00 -0.13 0.15 -0.31 0.41 0.00 0.00 173.24 173.35 2dks s TYR 95 N 0.05 1.31 0.22 2.43 2.02 -1.19 0.15 117.35 122.34 2dks s TYR 95 Ca -0.01 -1.67 -0.30 0.00 -0.37 0.00 0.00 57.07 54.73 2dks s TYR 95 Cb -0.02 -1.45 -0.08 0.00 -0.40 0.00 0.00 41.96 40.00 2dks s TYR 95 CO 0.01 -0.84 1.05 0.99 -1.57 0.00 0.00 175.55 175.18 2dks s THR 96 N 1.40 3.86 -0.20 -0.71 2.01 -0.91 -0.59 115.64 120.51 2dks s THR 96 Ca 0.12 1.74 -0.01 0.00 0.31 0.00 0.00 61.69 63.85 2dks s THR 96 Cb -0.19 -4.11 0.06 0.00 0.01 0.00 0.00 72.50 68.27 2dks s THR 96 CO -0.19 0.36 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.87 2dks s LEU 97 N -0.88 1.74 -0.11 4.42 1.98 -0.30 0.36 118.68 125.89 2dks s LEU 97 Ca 0.45 -0.89 -0.06 0.00 -2.89 0.00 0.00 54.13 50.74 2dks s LEU 97 Cb -0.29 -0.86 -0.04 0.00 0.66 0.00 0.00 46.19 45.66 2dks s LEU 97 CO 0.36 -0.25 0.13 -1.58 -1.89 0.00 0.00 176.35 173.11 2dks s GLN 98 N 1.65 3.40 -0.20 1.98 0.74 0.12 -2.77 119.66 124.58 2dks s GLN 98 Ca -0.02 -0.16 0.01 0.00 0.05 0.00 0.00 55.36 55.24 2dks s GLN 98 Cb -0.17 -3.15 0.04 0.00 1.10 0.00 0.00 33.01 30.82 2dks s GLN 98 CO -0.07 0.77 -0.15 0.08 -0.55 0.00 0.00 175.29 175.37 2dks s VAL 99 N -1.03 1.96 0.08 1.34 1.01 -1.23 -1.21 120.40 121.32 2dks s VAL 99 Ca 0.16 -1.12 -0.20 0.00 0.00 0.00 0.00 61.98 60.82 2dks s VAL 99 Cb -0.12 -1.91 -0.07 0.00 0.00 0.00 0.00 36.38 34.28 2dks s VAL 99 CO 0.05 0.30 0.59 -0.63 0.00 0.00 0.00 175.10 175.41 2dks s ILE 100 N 1.28 4.70 0.18 2.22 1.09 -0.72 -1.49 121.20 128.45 2dks s ILE 100 Ca -0.00 1.27 0.07 0.00 -1.10 0.00 0.00 60.65 60.89 2dks s ILE 100 Cb -0.16 -3.93 -0.04 0.00 -1.06 0.00 0.00 42.46 37.28 2dks s ILE 100 CO -0.10 0.55 0.01 -0.54 -0.10 0.00 0.00 174.94 174.77 2dks s LYS 101 N -1.11 2.43 0.28 2.79 1.02 0.91 0.24 119.74 126.30 2dks s LYS 101 Ca 0.30 -1.11 0.14 0.00 0.02 0.00 0.00 55.97 55.32 2dks s LYS 101 Cb -0.20 -2.37 0.76 0.00 -0.52 0.00 0.00 37.83 35.51 2dks s LYS 101 CO 0.20 0.45 1.36 1.28 -0.92 0.00 0.00 175.35 177.71 2dks n LEU 102 N -0.20 0.36 -0.61 3.17 7.99 -1.08 -0.62 117.00 126.02 2dks n LEU 102 Ca -0.09 0.60 0.01 0.00 -0.01 0.00 0.00 56.01 56.51 2dks n LEU 102 Cb 0.55 -0.59 0.05 0.00 -0.11 0.00 0.00 43.42 43.32 2dks n LEU 102 CO 0.39 -0.72 0.36 -3.20 -1.51 0.00 0.00 177.39 172.70 2dks n ASN 103 N -2.02 1.45 -1.93 -1.43 5.15 -1.26 -4.81 115.26 110.40 2dks n ASN 103 Ca -0.01 -2.10 -0.20 0.00 -0.60 0.00 0.00 54.58 51.67 2dks n ASN 103 Cb 0.20 -0.46 -0.05 0.00 -0.53 0.00 0.00 39.78 38.94 2dks n ASN 103 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2dks n LEU 104 N 0.04 -1.70 -4.77 1.20 4.77 0.21 -4.97 117.00 111.78 2dks n LEU 104 Ca 0.03 0.24 -0.28 0.00 -0.03 0.00 0.00 56.01 55.97 2dks n LEU 104 Cb 0.33 -2.82 -0.06 0.00 -2.33 0.00 0.00 43.42 38.53 2dks n LEU 104 CO 0.04 -0.63 -0.16 -0.04 -1.33 0.00 0.00 177.39 175.27 2dks s MET 105 N -4.36 2.19 0.04 3.23 -1.94 -1.17 -4.95 119.30 112.34 2dks s MET 105 Ca 0.00 -2.11 -0.23 0.00 -1.71 0.00 0.00 55.69 51.64 2dks s MET 105 Cb 0.00 -1.82 0.05 0.00 2.01 0.00 0.00 34.83 35.08 2dks s MET 105 CO 0.00 -0.31 0.53 -1.54 -0.01 0.00 0.00 175.02 173.68 2dks s SER 106 N -3.96 -0.45 0.44 3.03 1.04 -1.26 -0.07 113.70 112.47 2dks s SER 106 Ca 0.27 0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.93 2dks s SER 106 Cb 0.02 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.65 2dks s SER 106 CO 0.15 -0.70 0.16 -0.62 0.98 0.00 0.00 173.24 173.21 2dks n GLU 107 N 0.48 0.91 -3.79 4.02 4.71 -0.56 -4.93 120.64 121.48 2dks n GLU 107 Ca -0.18 -2.95 -0.13 0.00 -0.01 0.00 0.00 57.16 53.89 2dks n GLU 107 Cb 0.60 0.57 -0.13 0.00 -1.01 0.00 0.00 31.44 31.46 2dks n GLU 107 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2dks s GLU 108 N -3.68 0.14 -0.29 3.49 2.02 -1.26 -3.48 118.70 115.63 2dks s GLU 108 Ca 0.12 0.27 -0.05 0.00 0.02 0.00 0.00 54.97 55.33 2dks s GLU 108 Cb -0.01 -0.02 0.16 0.00 0.10 0.00 0.00 34.13 34.36 2dks s GLU 108 CO 0.08 -0.07 0.60 0.54 0.02 0.00 0.00 175.26 176.42 2dks s VAL 109 N 0.49 -0.97 -0.66 2.63 0.11 -1.11 -5.01 120.40 115.87 2dks s VAL 109 Ca -0.03 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.75 2dks s VAL 109 Cb -0.05 -0.98 0.04 0.00 -1.53 0.00 0.00 36.38 33.86 2dks s VAL 109 CO -0.02 -0.00 1.18 -0.89 -3.33 0.00 0.00 175.10 172.03 2dks s THR 110 N 2.85 3.95 -0.31 5.04 2.01 -1.26 -1.15 115.64 126.78 2dks s THR 110 Ca 0.09 0.43 0.03 0.00 0.31 0.00 0.00 61.69 62.56 2dks s THR 110 Cb -0.14 -4.79 0.08 0.00 0.01 0.00 0.00 72.50 67.66 2dks s THR 110 CO -0.20 -1.58 -0.02 -0.83 -0.69 0.00 0.00 174.62 171.31 2dks s GLY 111 N 3.42 1.82 0.20 4.40 0.00 0.25 -4.88 107.32 112.52 2dks s GLY 111 Ca 0.35 -2.20 0.02 0.00 0.00 0.00 0.00 44.72 42.89 2dks s GLY 111 CO 0.18 0.80 0.07 0.61 0.00 0.00 0.00 173.10 174.76 2dks n GLN 112 N 4.34 0.77 -3.16 2.90 -0.00 -1.26 -4.17 117.38 116.79 2dks n GLN 112 Ca -0.04 -1.70 -0.10 0.00 -0.00 0.00 0.00 57.00 55.16 2dks n GLN 112 Cb 0.42 0.91 -0.04 0.00 -0.00 0.00 0.00 30.24 31.54 2dks n GLN 112 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 2dks n PHE 113 N -0.45 -0.66 -4.93 2.61 -1.74 -1.26 -4.59 117.46 106.44 2dks n PHE 113 Ca -0.03 -1.51 -0.27 0.00 -0.56 0.00 0.00 57.45 55.08 2dks n PHE 113 Cb 0.30 0.22 -0.16 0.00 1.52 0.00 0.00 39.48 41.36 2dks n PHE 113 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 2dks s SER 114 N -2.30 2.32 -0.16 5.98 0.01 -1.21 -4.08 113.70 114.25 2dks s SER 114 Ca 0.21 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 57.10 2dks s SER 114 Cb 0.01 -0.49 0.01 0.00 0.21 0.00 0.00 66.02 65.75 2dks s SER 114 CO 0.15 0.20 -0.17 -0.69 0.41 0.00 0.00 173.24 173.13 2dks s VAL 115 N -0.18 2.43 -0.05 3.43 1.01 -1.26 -2.55 120.40 123.23 2dks s VAL 115 Ca 0.01 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.19 2dks s VAL 115 Cb -0.10 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 2dks s VAL 115 CO 0.01 0.52 -0.15 -1.38 0.00 0.00 0.00 175.10 174.11 2dks s HIS 116 N 0.98 2.69 -0.96 5.22 -3.43 -0.61 -4.70 115.29 114.48 2dks s HIS 116 Ca -0.03 -0.17 -0.24 0.00 -0.80 0.00 0.00 55.06 53.83 2dks s HIS 116 Cb -0.15 -1.62 -0.05 0.00 -1.43 0.00 0.00 32.58 29.33 2dks s HIS 116 CO -0.04 0.19 1.94 -1.25 -2.00 0.00 0.00 174.74 173.58 2dks s PRO 117 N -0.76 2.55 -1.41 -0.38 0.04 -1.26 -3.48 135.00 130.30 2dks s PRO 117 Ca 0.12 -0.47 -0.09 0.00 0.04 0.00 0.00 61.00 60.59 2dks s PRO 117 Cb -0.11 -5.10 0.07 0.00 0.04 0.00 0.00 34.50 29.41 2dks s PRO 117 CO 0.01 -3.49 2.32 -1.91 0.04 0.00 0.00 177.00 173.97 2dks n GLU 118 N 8.74 3.73 -4.19 4.56 4.07 -1.26 -4.91 120.64 131.38 2dks n GLU 118 Ca 0.41 -3.02 -0.18 0.00 -0.06 0.00 0.00 57.16 54.30 2dks n GLU 118 Cb 0.47 -2.90 -0.12 0.00 -0.06 0.00 0.00 31.44 28.83 2dks n GLU 118 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2dks s THR 119 N 0.96 1.06 0.79 6.31 -4.23 -1.26 -4.99 115.64 114.28 2dks s THR 119 Ca 0.51 -1.22 -0.11 0.00 -1.18 0.00 0.00 61.69 59.70 2dks s THR 119 Cb 0.15 -1.01 0.06 0.00 1.34 0.00 0.00 72.50 73.04 2dks s THR 119 CO -0.06 -0.19 1.09 -2.16 -0.54 0.00 0.00 174.62 172.76 2dks s PRO 120 N -1.60 2.15 -0.66 3.99 0.04 -1.26 -5.02 135.00 132.63 2dks s PRO 120 Ca -0.02 1.14 0.05 0.00 0.04 0.00 0.00 61.00 62.21 2dks s PRO 120 Cb -0.10 -1.89 0.17 0.00 0.04 0.00 0.00 34.50 32.72 2dks s PRO 120 CO 0.02 -1.71 0.46 0.21 0.04 0.00 0.00 177.00 176.02 2dks s LYS 121 N -4.91 2.29 -1.00 4.56 2.36 -1.26 -5.04 119.74 116.75 2dks s LYS 121 Ca 0.61 -3.18 -0.24 0.00 -2.55 0.00 0.00 55.97 50.62 2dks s LYS 121 Cb -0.17 -3.25 -0.06 0.00 -1.05 0.00 0.00 37.83 33.30 2dks s LYS 121 CO 0.56 -1.28 1.94 -1.25 1.55 0.00 0.00 175.35 176.88 2dks s PRO 122 N -1.22 2.54 -0.17 4.03 0.04 -1.26 -4.92 135.00 134.03 2dks s PRO 122 Ca 0.25 -0.59 0.01 0.00 0.04 0.00 0.00 61.00 60.70 2dks s PRO 122 Cb -0.06 -5.13 0.01 0.00 0.04 0.00 0.00 34.50 29.37 2dks s PRO 122 CO -0.15 -3.58 -0.18 0.45 0.04 0.00 0.00 177.00 173.57 2dks s SER 123 N 7.50 3.30 0.05 6.66 0.15 -1.26 -5.01 113.70 125.09 2dks s SER 123 Ca 0.69 -0.59 -0.17 0.00 0.70 0.00 0.00 55.95 56.58 2dks s SER 123 Cb -0.05 -1.51 -0.19 0.00 -1.71 0.00 0.00 66.02 62.57 2dks s SER 123 CO 0.04 0.03 1.22 -0.29 1.20 0.00 0.00 173.24 175.44 2dks h ILE 124 N 5.86 1.35 0.27 6.45 6.09 -2.02 -3.33 117.51 132.18 2dks h ILE 124 Ca -0.41 -1.92 -0.01 0.00 -1.37 0.00 0.00 64.86 61.15 2dks h ILE 124 Cb 1.16 2.23 0.00 0.00 0.47 0.00 0.00 36.82 40.68 2dks h ILE 124 CO 0.61 0.58 -0.13 -1.28 -3.07 0.00 0.00 178.15 174.86 2dks h SER 125 N 0.18 -0.30 0.00 2.19 0.87 -2.01 -3.49 113.55 110.98 2dks h SER 125 Ca -0.05 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2dks h SER 125 Cb 1.26 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 2dks h SER 125 CO 0.12 0.03 0.00 0.61 -0.53 0.00 0.00 176.83 177.06 2dks n GLY 126 N -0.41 1.52 3.65 5.77 0.00 -1.25 -5.06 105.19 109.41 2dks n GLY 126 Ca -0.09 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 2dks n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dks s PRO 127 N 0.00 4.11 0.38 1.61 0.04 -1.26 -4.93 135.00 134.95 2dks s PRO 127 Ca 0.00 1.93 0.03 0.00 0.04 0.00 0.00 61.00 63.01 2dks s PRO 127 Cb 0.00 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 2dks s PRO 127 CO 0.00 -0.91 0.10 0.45 0.04 0.00 0.00 177.00 176.68 2dks s SER 128 N 3.17 2.62 -0.09 6.66 0.15 -1.26 -5.09 113.70 119.87 2dks s SER 128 Ca 0.68 -1.56 -0.15 0.00 0.70 0.00 0.00 55.95 55.62 2dks s SER 128 Cb -0.28 0.29 -0.12 0.00 -1.71 0.00 0.00 66.02 64.19 2dks s SER 128 CO 0.25 -0.81 0.51 -1.28 1.20 0.00 0.00 173.24 173.11 2dks h SER 129 N 1.91 -0.08 0.00 5.45 0.87 -2.08 -3.56 113.55 116.06 2dks h SER 129 Ca -0.38 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 59.80 2dks h SER 129 Cb 1.26 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2dks h SER 129 CO 0.62 0.57 0.00 0.61 -0.53 0.00 0.00 176.83 178.11