#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dks s SER 2 N 0.00 5.09 0.33 1.61 1.04 -1.26 -5.11 113.70 115.40 2dks s SER 2 Ca 0.00 0.44 -0.12 0.00 0.48 0.00 0.00 55.95 56.75 2dks s SER 2 Cb 0.00 -1.22 0.02 0.00 0.10 0.00 0.00 66.02 64.92 2dks s SER 2 CO 0.00 -1.38 0.62 -0.55 0.98 0.00 0.00 173.24 172.91 2dks s SER 3 N -4.45 0.22 0.02 7.02 0.15 -1.26 -5.10 113.70 110.30 2dks s SER 3 Ca 0.58 -1.13 -0.00 0.00 0.70 0.00 0.00 55.95 56.10 2dks s SER 3 Cb -0.11 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 2dks s SER 3 CO 0.44 -1.42 0.00 0.61 1.20 0.00 0.00 173.24 174.08 2dks n GLY 4 N -0.50 -5.57 2.10 9.45 0.00 -1.26 -4.94 105.19 104.47 2dks n GLY 4 Ca -0.04 0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 2dks n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dks n SER 5 N 1.87 4.93 -4.60 1.61 3.41 -1.26 -5.03 113.62 114.55 2dks n SER 5 Ca -0.01 -3.75 -0.34 0.00 -0.26 0.00 0.00 58.87 54.51 2dks n SER 5 Cb 0.01 -0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 63.49 2dks n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dks s SER 6 N -3.56 5.16 0.00 4.04 0.01 -1.26 -4.97 113.70 113.12 2dks s SER 6 Ca 0.51 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.79 2dks s SER 6 Cb 0.41 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.93 2dks s SER 6 CO -0.00 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.51 2dks n GLY 7 N 3.00 0.70 3.74 3.44 0.00 -1.26 -4.98 105.19 109.83 2dks n GLY 7 Ca -0.18 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 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 0.00 4.44 0.00 2.61 -4.23 -1.26 -5.06 115.64 112.14 2dks s THR 8 Ca 0.00 1.93 0.03 0.00 -1.18 0.00 0.00 61.69 62.47 2dks s THR 8 Cb 0.00 -4.25 -0.01 0.00 1.34 0.00 0.00 72.50 69.58 2dks s THR 8 CO 0.00 0.40 -0.10 0.00 -0.54 0.00 0.00 174.62 174.38 2dks s ALA 9 N -0.43 0.79 -0.28 3.99 0.00 -1.26 -5.11 121.76 119.46 2dks s ALA 9 Ca 0.42 -0.47 -0.16 0.00 0.00 0.00 0.00 51.96 51.75 2dks s ALA 9 Cb -0.23 -0.17 0.11 0.00 0.00 0.00 0.00 23.12 22.83 2dks s ALA 9 CO 0.28 0.18 0.84 1.14 0.00 0.00 0.00 175.76 178.20 2dks s GLN 10 N -0.42 0.54 0.01 0.00 -2.07 -1.26 -5.10 119.66 111.35 2dks s GLN 10 Ca 0.02 0.92 -0.32 0.00 -1.82 0.00 0.00 55.36 54.17 2dks s GLN 10 Cb -0.04 0.11 -0.16 0.00 -1.09 0.00 0.00 33.01 31.83 2dks s GLN 10 CO -0.00 -0.11 0.84 -0.11 -1.32 0.00 0.00 175.29 174.59 2dks n LEU 11 N 3.94 -0.08 -4.08 2.60 0.00 -1.23 -4.68 117.00 113.47 2dks n LEU 11 Ca -0.19 0.94 -0.14 0.00 0.00 0.00 0.00 56.01 56.62 2dks n LEU 11 Cb 0.58 -0.75 -0.04 0.00 0.00 0.00 0.00 43.42 43.21 2dks n LEU 11 CO 0.00 -1.62 0.15 0.28 0.00 0.00 0.00 177.39 176.20 2dks s THR 12 N -0.06 0.00 -0.05 1.96 -1.32 -0.51 -4.94 115.64 110.73 2dks s THR 12 Ca 0.73 -1.58 -0.02 0.00 -1.21 0.00 0.00 61.69 59.61 2dks s THR 12 Cb -1.02 -2.63 0.04 0.00 -1.51 0.00 0.00 72.50 67.38 2dks s THR 12 CO 0.46 0.00 0.10 -0.63 -2.21 0.00 0.00 174.62 172.34 2dks s ILE 13 N -3.07 -0.07 -0.24 5.08 1.01 -1.26 -1.91 121.20 120.74 2dks s ILE 13 Ca 0.30 0.22 0.02 0.00 0.00 0.00 0.00 60.65 61.19 2dks s ILE 13 Cb -0.00 -0.18 0.06 0.00 0.01 0.00 0.00 42.46 42.34 2dks s ILE 13 CO 0.20 0.09 -0.10 -0.70 0.00 0.00 0.00 174.94 174.43 2dks s GLU 14 N 1.28 2.05 0.32 2.79 2.12 -0.19 -4.83 118.70 122.24 2dks s GLU 14 Ca -0.07 -1.13 -0.29 0.00 0.36 0.00 0.00 54.97 53.84 2dks s GLU 14 Cb -0.12 -2.70 -0.11 0.00 0.26 0.00 0.00 34.13 31.46 2dks s GLU 14 CO -0.05 -0.54 1.47 0.00 -0.54 0.00 0.00 175.26 175.61 2dks s ALA 15 N 1.25 3.62 -0.19 6.30 0.00 -1.26 -1.70 121.76 129.77 2dks s ALA 15 Ca -0.06 1.46 -0.04 0.00 0.00 0.00 0.00 51.96 53.32 2dks s ALA 15 Cb -0.19 -3.58 0.07 0.00 0.00 0.00 0.00 23.12 19.42 2dks s ALA 15 CO -0.06 -0.89 0.09 0.08 0.00 0.00 0.00 175.76 174.97 2dks s VAL 16 N -0.59 0.04 1.13 0.00 1.01 -0.71 -2.97 120.40 118.31 2dks s VAL 16 Ca 0.56 -0.34 -0.19 0.00 0.00 0.00 0.00 61.98 62.01 2dks s VAL 16 Cb -0.45 -0.73 0.28 0.00 0.00 0.00 0.00 36.38 35.48 2dks s VAL 16 CO 0.53 -0.34 1.01 -0.81 0.00 0.00 0.00 175.10 175.48 2dks n PRO 17 N 5.23 -2.99 0.01 2.72 -0.04 -1.26 -0.37 135.00 138.29 2dks n PRO 17 Ca -0.07 -1.61 -0.03 0.00 -0.04 0.00 0.00 63.50 61.75 2dks n PRO 17 Cb 0.47 -1.51 -0.11 0.00 -0.04 0.00 0.00 33.50 32.32 2dks n PRO 17 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dks n SER 18 N -4.73 0.78 -3.57 3.54 2.88 -1.16 -4.67 113.62 106.69 2dks n SER 18 Ca 0.14 0.35 -0.29 0.00 -1.33 0.00 0.00 58.87 57.74 2dks n SER 18 Cb 0.54 0.20 -0.12 0.00 -0.75 0.00 0.00 64.21 64.09 2dks n SER 18 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2dks s ASN 19 N -5.81 3.04 0.72 -3.46 4.22 -1.26 -3.28 114.94 109.11 2dks s ASN 19 Ca -0.04 -2.61 -0.04 0.00 -2.14 0.00 0.00 52.86 48.03 2dks s ASN 19 Cb 0.08 -0.71 0.10 0.00 1.28 0.00 0.00 41.25 42.01 2dks s ASN 19 CO 0.82 -0.25 1.01 0.00 -2.04 0.00 0.00 177.10 176.64 2dks s ALA 20 N 0.47 3.37 0.55 3.54 0.00 -1.08 -4.86 121.76 123.75 2dks s ALA 20 Ca 0.21 -1.36 0.05 0.00 0.00 0.00 0.00 51.96 50.86 2dks s ALA 20 Cb -0.17 -2.30 0.04 0.00 0.00 0.00 0.00 23.12 20.69 2dks s ALA 20 CO -0.04 -1.44 0.38 0.00 0.00 0.00 0.00 175.76 174.65 2dks s ALA 21 N -3.22 4.46 -0.06 0.00 0.00 -1.26 -1.08 121.76 120.60 2dks s ALA 21 Ca 0.64 -1.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.20 2dks s ALA 21 Cb -0.07 -0.67 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 2dks s ALA 21 CO 0.45 -0.43 1.56 -1.21 0.00 0.00 0.00 175.76 176.13 2dks s GLU 22 N -4.27 4.20 0.00 0.00 2.02 -1.25 -2.31 118.70 117.09 2dks s GLU 22 Ca 0.30 2.08 0.00 0.00 0.02 0.00 0.00 54.97 57.37 2dks s GLU 22 Cb -0.02 -3.89 0.00 0.00 0.10 0.00 0.00 34.13 30.32 2dks s GLU 22 CO 0.19 -0.79 0.00 0.41 0.02 0.00 0.00 175.26 175.09 2dks n GLY 23 N 3.98 0.75 3.45 -1.39 0.00 -0.61 -4.98 105.19 106.39 2dks n GLY 23 Ca 0.16 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.43 0.71 -4.86 1.61 4.76 -0.98 -4.52 118.16 112.46 2dks n LYS 24 Ca 0.00 -2.95 -0.31 0.00 -2.87 0.00 0.00 58.31 52.18 2dks n LYS 24 Cb 0.00 0.08 -0.14 0.00 -1.84 0.00 0.00 35.03 33.13 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 -4.17 2.01 -0.10 1.97 2.02 -1.26 -0.71 118.70 118.47 2dks s GLU 25 Ca 0.40 -1.00 -0.01 0.00 0.02 0.00 0.00 54.97 54.38 2dks s GLU 25 Cb -0.03 -2.11 0.03 0.00 0.10 0.00 0.00 34.13 32.12 2dks s GLU 25 CO 0.25 0.54 -0.04 0.08 0.02 0.00 0.00 175.26 176.11 2dks s VAL 26 N -0.82 0.74 -0.52 2.63 1.01 0.15 -4.45 120.40 119.14 2dks s VAL 26 Ca 0.13 -0.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 2dks s VAL 26 Cb -0.10 -0.83 0.12 0.00 0.00 0.00 0.00 36.38 35.57 2dks s VAL 26 CO 0.03 0.31 0.47 -0.22 0.00 0.00 0.00 175.10 175.69 2dks s LEU 27 N 1.82 6.06 -0.72 3.92 2.96 0.51 -0.30 118.68 132.93 2dks s LEU 27 Ca 0.05 -1.72 -0.26 0.00 -0.22 0.00 0.00 54.13 51.98 2dks s LEU 27 Cb -0.13 -2.19 -0.00 0.00 0.50 0.00 0.00 46.19 44.37 2dks s LEU 27 CO -0.07 -0.81 1.67 -0.76 -1.32 0.00 0.00 176.35 175.06 2dks s LEU 28 N 1.59 3.25 0.75 -0.68 1.43 -1.04 -1.73 118.68 122.25 2dks s LEU 28 Ca 0.03 -0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 2dks s LEU 28 Cb -0.29 -2.55 0.04 0.00 0.03 0.00 0.00 46.19 43.43 2dks s LEU 28 CO 0.03 -2.21 1.09 -0.76 0.23 0.00 0.00 176.35 174.73 2dks s LEU 29 N 7.93 2.79 0.02 1.79 1.43 -0.69 -3.18 118.68 128.78 2dks s LEU 29 Ca 0.57 1.33 0.03 0.00 -1.03 0.00 0.00 54.13 55.04 2dks s LEU 29 Cb -0.09 -4.06 -0.02 0.00 0.03 0.00 0.00 46.19 42.05 2dks s LEU 29 CO 0.13 -1.69 -0.11 -0.69 0.23 0.00 0.00 176.35 174.23 2dks s VAL 30 N -3.18 0.83 0.19 -1.59 1.01 -1.26 -1.02 120.40 115.38 2dks s VAL 30 Ca 0.59 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.87 2dks s VAL 30 Cb -0.13 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 2dks s VAL 30 CO 0.54 0.01 -0.08 -1.00 0.00 0.00 0.00 175.10 174.57 2dks s HIS 31 N -0.68 1.47 -1.83 5.22 0.09 -0.80 -4.77 115.29 113.99 2dks s HIS 31 Ca 0.00 -0.76 0.00 0.00 -0.00 0.00 0.00 55.06 54.30 2dks s HIS 31 Cb -0.06 -0.77 0.00 0.00 -0.00 0.00 0.00 32.58 31.75 2dks s HIS 31 CO 0.00 0.12 0.00 0.09 -0.00 0.00 0.00 174.74 174.95 2dks n ASN 32 N -0.31 -5.60 -4.51 1.40 3.02 -1.26 -1.42 115.26 106.58 2dks n ASN 32 Ca -0.08 0.14 -0.32 0.00 -0.03 0.00 0.00 54.58 54.29 2dks n ASN 32 Cb 0.62 -4.69 0.15 0.00 -0.61 0.00 0.00 39.78 35.24 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 -2.67 1.04 -4.77 3.41 4.77 -1.26 -3.54 117.00 113.99 2dks n LEU 33 Ca -0.22 0.32 -0.31 0.00 -0.03 0.00 0.00 56.01 55.76 2dks n LEU 33 Cb 0.67 -1.31 0.08 0.00 -2.33 0.00 0.00 43.42 40.54 2dks n LEU 33 CO 0.28 -2.99 0.71 -2.16 -1.33 0.00 0.00 177.39 171.90 2dks s PRO 34 N -4.07 2.37 0.07 3.23 0.04 -1.26 -4.98 135.00 130.39 2dks s PRO 34 Ca 0.61 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 2dks s PRO 34 Cb -0.22 -1.91 -0.17 0.00 0.04 0.00 0.00 34.50 32.24 2dks s PRO 34 CO 0.63 -1.56 1.61 -0.56 0.04 0.00 0.00 177.00 177.16 2dks h GLN 35 N -0.88 -0.52 -3.08 4.56 3.07 -2.02 -3.38 115.11 112.86 2dks h GLN 35 Ca -0.44 0.04 -0.61 0.00 0.09 0.00 0.00 58.65 57.73 2dks h GLN 35 Cb 1.23 0.12 -0.40 0.00 0.08 0.00 0.00 27.48 28.51 2dks h GLN 35 CO 0.52 -0.31 -0.74 -0.51 0.09 0.00 0.00 178.83 177.87 2dks s ASP 36 N -4.76 3.70 0.53 0.06 1.01 -1.26 -5.12 116.67 110.83 2dks s ASP 36 Ca -0.16 -2.46 -0.20 0.00 0.71 0.00 0.00 52.55 50.45 2dks s ASP 36 Cb 0.04 -0.99 -0.06 0.00 1.01 0.00 0.00 42.92 42.92 2dks s ASP 36 CO 0.62 -0.29 1.13 -2.16 0.21 0.00 0.00 175.17 174.69 2dks s PRO 37 N 0.58 3.42 -0.14 8.23 0.04 -1.26 -3.34 135.00 142.52 2dks s PRO 37 Ca 0.16 1.63 0.13 0.00 0.04 0.00 0.00 61.00 62.97 2dks s PRO 37 Cb -0.23 -2.06 -0.18 0.00 0.04 0.00 0.00 34.50 32.07 2dks s PRO 37 CO -0.03 -0.80 0.05 -2.13 0.04 0.00 0.00 177.00 174.13 2dks n ARG 38 N -1.18 1.64 0.00 4.56 0.63 0.91 -4.72 116.66 118.50 2dks n ARG 38 Ca 0.11 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 2dks n ARG 38 Cb 0.51 -1.37 0.00 0.00 0.45 0.00 0.00 32.46 32.05 2dks n ARG 38 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2dks n GLY 39 N 2.11 1.65 3.80 5.14 0.00 -1.22 -1.32 105.19 115.34 2dks n GLY 39 Ca -0.23 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.86 3.11 -0.22 1.61 2.02 0.67 -1.20 117.35 121.47 2dks s TYR 40 Ca 0.00 -0.07 -0.04 0.00 -0.37 0.00 0.00 57.07 56.60 2dks s TYR 40 Cb 0.00 -1.45 0.11 0.00 -0.40 0.00 0.00 41.96 40.22 2dks s TYR 40 CO 0.00 0.52 0.34 -0.80 -1.57 0.00 0.00 175.55 174.04 2dks s ASN 41 N -3.41 0.43 -0.24 2.29 -0.87 -0.27 -1.37 114.94 111.50 2dks s ASN 41 Ca 0.32 0.25 -0.14 0.00 -1.57 0.00 0.00 52.86 51.71 2dks s ASN 41 Cb -0.09 0.95 -0.04 0.00 -0.02 0.00 0.00 41.25 42.05 2dks s ASN 41 CO 0.24 -0.29 0.34 0.26 -2.57 0.00 0.00 177.10 175.07 2dks s TRP 42 N 2.50 3.30 0.38 2.20 0.52 -0.66 -0.71 118.94 126.46 2dks s TRP 42 Ca 0.09 0.43 0.08 0.00 0.02 0.00 0.00 56.10 56.72 2dks s TRP 42 Cb -0.15 -2.50 -0.07 0.00 -1.15 0.00 0.00 33.47 29.60 2dks s TRP 42 CO -0.14 -0.11 -0.00 0.71 0.02 0.00 0.00 176.95 177.43 2dks s TYR 43 N 1.66 2.50 -0.35 -1.98 2.02 0.44 -1.51 117.35 120.13 2dks s TYR 43 Ca 0.15 -0.56 -0.04 0.00 -0.37 0.00 0.00 57.07 56.25 2dks s TYR 43 Cb -0.15 -1.62 0.07 0.00 -0.40 0.00 0.00 41.96 39.86 2dks s TYR 43 CO 0.09 0.46 0.11 0.21 -1.57 0.00 0.00 175.55 174.85 2dks s LYS 44 N -3.70 2.35 0.00 -0.62 2.20 -1.06 -2.01 119.74 116.90 2dks s LYS 44 Ca 0.35 -1.44 0.00 0.00 -0.36 0.00 0.00 55.97 54.52 2dks s LYS 44 Cb 0.05 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 2dks s LYS 44 CO 0.18 -0.80 0.00 0.41 -0.36 0.00 0.00 175.35 174.78 2dks n GLY 45 N 4.68 0.27 1.29 5.54 0.00 -0.94 -4.85 105.19 111.19 2dks n GLY 45 Ca -0.09 -1.61 0.07 0.00 0.00 0.00 0.00 46.02 44.39 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 3.58 -3.67 1.61 1.02 -1.26 -3.43 120.64 118.48 2dks n GLU 46 Ca 0.00 -2.98 -0.04 0.00 -0.02 0.00 0.00 57.16 54.12 2dks n GLU 46 Cb 0.00 -2.01 -0.01 0.00 -0.02 0.00 0.00 31.44 29.40 2dks n GLU 46 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2dks s THR 47 N -2.84 0.00 -0.47 2.62 -1.32 -1.26 -5.04 115.64 107.32 2dks s THR 47 Ca 0.47 -0.42 -0.26 0.00 -1.21 0.00 0.00 61.69 60.27 2dks s THR 47 Cb 0.38 -1.74 -0.07 0.00 -1.51 0.00 0.00 72.50 69.56 2dks s THR 47 CO 0.11 0.00 2.38 -0.69 -2.21 0.00 0.00 174.62 174.21 2dks s VAL 48 N -3.06 3.02 -0.39 5.08 1.01 -1.26 -4.81 120.40 119.98 2dks s VAL 48 Ca 0.11 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 2dks s VAL 48 Cb -0.00 -3.04 0.10 0.00 0.00 0.00 0.00 36.38 33.43 2dks s VAL 48 CO -0.01 -0.04 0.17 -0.62 0.00 0.00 0.00 175.10 174.60 2dks s ASP 49 N 11.80 5.23 0.46 3.32 -1.08 -1.26 -4.94 116.67 130.19 2dks s ASP 49 Ca 0.97 -1.84 0.22 0.00 -0.52 0.00 0.00 52.55 51.37 2dks s ASP 49 Cb -0.18 -1.82 1.10 0.00 -1.46 0.00 0.00 42.92 40.56 2dks s ASP 49 CO 0.26 -0.49 1.95 0.00 0.52 0.00 0.00 175.17 177.41 2dks h ALA 50 N 8.07 1.28 -0.00 3.66 0.00 -1.99 -2.40 119.26 127.89 2dks h ALA 50 Ca -0.15 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 2dks h ALA 50 Cb 1.05 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2dks h ALA 50 CO 0.67 0.28 -0.72 -0.91 0.00 0.00 0.00 179.25 178.57 2dks h ASN 51 N 0.00 0.00 -0.72 0.00 -0.26 -2.00 -3.11 115.58 109.50 2dks h ASN 51 Ca -0.00 -0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 55.41 2dks h ASN 51 Cb 0.51 -0.00 -0.20 0.00 -1.06 0.00 0.00 38.32 37.57 2dks h ASN 51 CO 0.03 0.73 0.33 0.54 -1.06 0.00 0.00 177.43 178.00 2dks n ARG 52 N -3.68 2.50 -1.83 0.81 5.12 -0.93 -4.64 116.66 114.00 2dks n ARG 52 Ca -0.01 -3.07 -0.42 0.00 -1.93 0.00 0.00 57.85 52.42 2dks n ARG 52 Cb 0.71 -2.07 -0.03 0.00 -1.16 0.00 0.00 32.46 29.91 2dks n ARG 52 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2dks s ARG 53 N -3.19 3.13 -0.02 5.56 3.52 -1.03 -2.55 118.95 124.36 2dks s ARG 53 Ca 0.52 1.59 -0.25 0.00 -0.13 0.00 0.00 55.73 57.46 2dks s ARG 53 Cb 0.44 -4.30 -0.19 0.00 -1.56 0.00 0.00 34.95 29.34 2dks s ARG 53 CO 0.08 -2.10 1.24 0.82 -0.81 0.00 0.00 175.30 174.53 2dks h ILE 54 N 7.00 1.21 -1.36 4.11 2.04 -1.46 -2.16 117.51 126.89 2dks h ILE 54 Ca -0.35 -1.01 0.14 0.00 1.00 0.00 0.00 64.86 64.63 2dks h ILE 54 Cb 1.20 1.86 -0.26 0.00 -0.74 0.00 0.00 36.82 38.88 2dks h ILE 54 CO 1.03 0.25 0.69 -0.51 0.00 0.00 0.00 178.15 179.61 2dks s ILE 55 N -4.30 0.00 -0.00 -0.67 2.07 -1.17 -2.66 121.20 114.46 2dks s ILE 55 Ca -0.15 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.11 2dks s ILE 55 Cb 0.02 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.60 2dks s ILE 55 CO 0.63 0.00 -0.07 -0.83 -1.91 0.00 0.00 174.94 172.76 2dks s GLY 56 N -0.66 0.36 -0.02 1.50 0.00 -1.06 -1.65 107.32 105.79 2dks s GLY 56 Ca 0.03 -0.34 0.04 0.00 0.00 0.00 0.00 44.72 44.45 2dks s GLY 56 CO -0.05 -0.30 -0.12 -0.47 0.00 0.00 0.00 173.10 172.16 2dks s TYR 57 N -0.25 1.16 -0.30 1.90 5.04 -0.47 -1.72 117.35 122.70 2dks s TYR 57 Ca 0.02 -0.24 -0.05 0.00 -2.44 0.00 0.00 57.07 54.35 2dks s TYR 57 Cb -0.03 -0.76 0.03 0.00 0.35 0.00 0.00 41.96 41.54 2dks s TYR 57 CO -0.00 -0.05 0.05 0.08 -1.34 0.00 0.00 175.55 174.29 2dks s VAL 58 N -0.17 3.60 0.30 3.14 1.01 -0.36 -0.24 120.40 127.69 2dks s VAL 58 Ca 0.03 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.08 2dks s VAL 58 Cb -0.06 -2.93 0.12 0.00 0.00 0.00 0.00 36.38 33.51 2dks s VAL 58 CO -0.00 0.01 1.80 0.40 0.00 0.00 0.00 175.10 177.31 2dks h ILE 59 N 6.07 1.23 -0.47 2.22 2.04 -1.52 1.95 117.51 129.03 2dks h ILE 59 Ca -0.28 -0.99 0.09 0.00 1.00 0.00 0.00 64.86 64.67 2dks h ILE 59 Cb 1.10 1.09 -0.08 0.00 -0.74 0.00 0.00 36.82 38.19 2dks h ILE 59 CO 0.59 0.33 -0.00 -1.28 0.00 0.00 0.00 178.15 177.79 2dks h SER 60 N 0.51 -0.20 -0.00 1.72 0.87 -1.79 -2.82 113.55 111.84 2dks h SER 60 Ca 0.10 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2dks h SER 60 Cb 0.47 0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2dks h SER 60 CO 0.03 -0.06 -0.01 -3.20 -0.53 0.00 0.00 176.83 173.05 2dks n ASN 61 N -5.22 2.34 -3.85 6.23 5.15 -1.14 -5.00 115.26 113.77 2dks n ASN 61 Ca 0.05 -3.11 -0.26 0.00 -0.60 0.00 0.00 54.58 50.65 2dks n ASN 61 Cb 0.25 -0.43 -0.03 0.00 -0.53 0.00 0.00 39.78 39.03 2dks n ASN 61 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dks n GLN 62 N -1.43 -0.74 -4.12 1.20 6.02 0.65 -4.89 117.38 114.07 2dks n GLN 62 Ca 0.16 -0.02 -0.32 0.00 -0.01 0.00 0.00 57.00 56.81 2dks n GLN 62 Cb 0.64 -2.00 -0.07 0.00 1.02 0.00 0.00 30.24 29.83 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 -6.34 2.91 -0.10 -1.09 -0.44 -0.60 -4.89 119.66 109.11 2dks s GLN 63 Ca 0.15 -0.61 0.04 0.00 -2.50 0.00 0.00 55.36 52.44 2dks s GLN 63 Cb -0.08 -2.76 0.00 0.00 -1.64 0.00 0.00 33.01 28.53 2dks s GLN 63 CO 0.68 0.61 -0.22 0.42 0.50 0.00 0.00 175.29 177.27 2dks s ILE 64 N -1.26 1.97 -0.30 -2.34 -1.09 -1.26 -1.22 121.20 115.70 2dks s ILE 64 Ca 0.25 -0.96 -0.02 0.00 -2.23 0.00 0.00 60.65 57.69 2dks s ILE 64 Cb -0.12 -1.72 0.10 0.00 -1.58 0.00 0.00 42.46 39.14 2dks s ILE 64 CO 0.17 0.54 0.10 -0.89 -1.23 0.00 0.00 174.94 173.63 2dks s THR 65 N 0.47 0.55 -0.09 2.92 2.01 -0.70 -5.04 115.64 115.76 2dks s THR 65 Ca -0.16 -1.14 -0.30 0.00 0.31 0.00 0.00 61.69 60.41 2dks s THR 65 Cb -0.17 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 2dks s THR 65 CO 0.06 -0.66 1.52 -2.16 -0.69 0.00 0.00 174.62 172.70 2dks s PRO 66 N 1.79 4.20 0.10 4.92 0.04 -1.26 -2.57 135.00 142.21 2dks s PRO 66 Ca 0.09 2.01 -0.02 0.00 0.04 0.00 0.00 61.00 63.12 2dks s PRO 66 Cb -0.17 -3.91 0.02 0.00 0.04 0.00 0.00 34.50 30.48 2dks s PRO 66 CO -0.28 -0.80 0.13 0.41 0.04 0.00 0.00 177.00 176.50 2dks n GLY 67 N 3.96 -1.33 0.22 0.56 0.00 -1.09 -4.95 105.19 102.56 2dks n GLY 67 Ca 0.16 -1.65 0.09 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 -1.31 1.61 0.13 -1.76 -3.04 132.00 127.62 2dks h PRO 68 Ca -0.04 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.78 2dks h PRO 68 Cb 0.12 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.10 2dks h PRO 68 CO 0.03 0.24 0.39 0.00 -0.23 0.00 0.00 178.00 178.44 2dks n ALA 69 N -2.27 4.74 -2.42 -0.56 0.00 -0.84 -4.88 120.51 114.29 2dks n ALA 69 Ca -0.01 -1.61 -0.32 0.00 0.00 0.00 0.00 53.44 51.50 2dks n ALA 69 Cb 0.40 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.80 2.54 -0.04 0.00 5.04 -1.15 -4.34 117.35 117.61 2dks s TYR 70 Ca 0.31 -0.28 0.05 0.00 -2.44 0.00 0.00 57.07 54.71 2dks s TYR 70 Cb 0.25 -1.54 0.08 0.00 0.35 0.00 0.00 41.96 41.10 2dks s TYR 70 CO 0.02 0.13 0.95 -1.13 -1.34 0.00 0.00 175.55 174.18 2dks n SER 71 N 2.14 0.88 -3.01 4.32 3.41 -1.26 -5.00 113.62 115.10 2dks n SER 71 Ca -0.17 -2.13 -0.18 0.00 -0.26 0.00 0.00 58.87 56.13 2dks n SER 71 Cb 0.52 -0.21 0.07 0.00 -0.26 0.00 0.00 64.21 64.33 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 -0.46 -4.79 0.00 4.04 3.02 -1.26 -4.89 115.26 110.92 2dks n ASN 72 Ca 0.04 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 2dks n ASN 72 Cb 0.60 -4.21 0.00 0.00 -0.61 0.00 0.00 39.78 35.55 2dks n ASN 72 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2dks n ARG 73 N -4.04 1.49 -3.17 3.52 1.74 -1.26 -5.08 116.66 109.86 2dks n ARG 73 Ca -0.05 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.74 2dks n ARG 73 Cb 0.57 -0.74 -0.03 0.00 -1.02 0.00 0.00 32.46 31.24 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 -1.47 3.69 -0.08 5.56 8.01 -1.26 -3.46 118.70 129.68 2dks s GLU 74 Ca 0.00 0.17 -0.05 0.00 0.01 0.00 0.00 54.97 55.10 2dks s GLU 74 Cb 0.00 -2.56 0.03 0.00 -4.31 0.00 0.00 34.13 27.30 2dks s GLU 74 CO 0.00 0.13 0.19 0.99 0.01 0.00 0.00 175.26 176.58 2dks s THR 75 N -2.18 -0.03 0.82 3.63 2.01 -0.84 -4.96 115.64 114.09 2dks s THR 75 Ca 0.46 0.11 -0.12 0.00 0.31 0.00 0.00 61.69 62.45 2dks s THR 75 Cb -0.11 -0.30 0.09 0.00 0.01 0.00 0.00 72.50 72.20 2dks s THR 75 CO 0.30 0.04 1.19 -0.63 -0.69 0.00 0.00 174.62 174.84 2dks s ILE 76 N 0.83 2.00 0.10 1.82 1.09 -1.26 -0.07 121.20 125.71 2dks s ILE 76 Ca -0.06 0.00 0.01 0.00 -1.10 0.00 0.00 60.65 59.50 2dks s ILE 76 Cb -0.08 -3.00 -0.04 0.00 -1.06 0.00 0.00 42.46 38.28 2dks s ILE 76 CO -0.05 0.00 -0.04 -0.31 -0.10 0.00 0.00 174.94 174.45 2dks s TYR 77 N -3.60 0.82 -2.00 3.97 1.51 0.17 -4.83 117.35 113.39 2dks s TYR 77 Ca 0.63 -1.00 0.11 0.00 -1.01 0.00 0.00 57.07 55.80 2dks s TYR 77 Cb -0.10 -0.50 0.67 0.00 -0.11 0.00 0.00 41.96 41.92 2dks s TYR 77 CO 0.49 -0.26 1.10 -0.35 -1.11 0.00 0.00 175.55 175.43 2dks n PRO 78 N -0.03 0.48 -0.09 -1.71 -0.04 -1.26 -1.93 135.00 130.43 2dks n PRO 78 Ca -0.11 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.42 2dks n PRO 78 Cb 0.61 -1.36 0.10 0.00 -0.04 0.00 0.00 33.50 32.81 2dks n PRO 78 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2dks n ASN 79 N -0.86 2.08 -0.96 3.54 0.23 -1.26 -4.96 115.26 113.06 2dks n ASN 79 Ca 0.08 -2.77 -0.09 0.00 -0.53 0.00 0.00 54.58 51.27 2dks n ASN 79 Cb 0.04 -0.33 -0.01 0.00 -2.08 0.00 0.00 39.78 37.40 2dks n ASN 79 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2dks n ALA 80 N -1.14 -0.24 -2.68 -2.53 0.00 -0.81 -4.48 120.51 108.63 2dks n ALA 80 Ca 0.12 0.09 -0.35 0.00 0.00 0.00 0.00 53.44 53.30 2dks n ALA 80 Cb 0.57 -1.22 -0.09 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.65 5.21 -0.21 0.00 0.01 -1.25 -4.73 113.70 110.07 2dks s SER 81 Ca 0.00 0.12 -0.01 0.00 1.31 0.00 0.00 55.95 57.37 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 0.36 -0.13 -0.22 0.41 0.00 0.00 173.24 173.66 2dks s LEU 82 N -1.00 2.59 -0.30 2.44 2.96 -1.19 0.43 118.68 124.61 2dks s LEU 82 Ca 0.14 -0.67 -0.22 0.00 -0.22 0.00 0.00 54.13 53.16 2dks s LEU 82 Cb -0.11 -1.58 -0.00 0.00 0.50 0.00 0.00 46.19 44.99 2dks s LEU 82 CO 0.04 -0.04 0.74 -0.22 -1.32 0.00 0.00 176.35 175.54 2dks s LEU 83 N 1.33 4.10 -0.50 -0.68 2.96 0.90 -2.50 118.68 124.29 2dks s LEU 83 Ca 0.04 0.62 -0.16 0.00 -0.22 0.00 0.00 54.13 54.41 2dks s LEU 83 Cb -0.14 -3.00 0.10 0.00 0.50 0.00 0.00 46.19 43.65 2dks s LEU 83 CO -0.09 -0.56 0.44 -0.32 -1.32 0.00 0.00 176.35 174.51 2dks s MET 84 N 2.83 2.97 0.10 1.98 -2.45 0.59 -1.98 119.30 123.35 2dks s MET 84 Ca 0.30 -1.53 -0.11 0.00 -1.25 0.00 0.00 55.69 53.09 2dks s MET 84 Cb -0.14 -4.20 -0.06 0.00 1.25 0.00 0.00 34.83 31.67 2dks s MET 84 CO 0.12 -1.18 0.45 1.03 1.05 0.00 0.00 175.02 176.49 2dks s ARG 85 N 1.61 3.83 -1.18 4.11 0.52 -1.22 -0.67 118.95 125.95 2dks s ARG 85 Ca 0.04 0.28 -0.04 0.00 -0.52 0.00 0.00 55.73 55.49 2dks s ARG 85 Cb -0.27 -2.97 -0.02 0.00 0.52 0.00 0.00 34.95 32.21 2dks s ARG 85 CO 0.05 0.53 0.88 0.09 0.02 0.00 0.00 175.30 176.86 2dks n ASN 86 N 0.84 -3.37 -3.68 0.23 3.02 -0.63 -4.82 115.26 106.84 2dks n ASN 86 Ca -0.07 -0.73 -0.30 0.00 -0.03 0.00 0.00 54.58 53.45 2dks n ASN 86 Cb 0.52 -4.71 0.26 0.00 -0.61 0.00 0.00 39.78 35.24 2dks n ASN 86 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2dks s VAL 87 N -3.46 1.45 0.10 2.41 -7.23 0.11 -4.69 120.40 109.10 2dks s VAL 87 Ca 0.17 0.00 -0.25 0.00 -1.81 0.00 0.00 61.98 60.09 2dks s VAL 87 Cb -0.03 -2.31 0.07 0.00 0.56 0.00 0.00 36.38 34.66 2dks s VAL 87 CO 0.77 0.00 0.61 0.42 -0.31 0.00 0.00 175.10 176.59 2dks s THR 88 N -2.70 0.00 0.13 5.32 -4.23 -1.26 -1.58 115.64 111.31 2dks s THR 88 Ca 0.70 -0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.89 2dks s THR 88 Cb -0.11 -1.00 -0.09 0.00 1.34 0.00 0.00 72.50 72.63 2dks s THR 88 CO 0.57 -0.01 1.50 0.03 -0.54 0.00 0.00 174.62 176.17 2dks h ARG 89 N 2.29 -0.27 -1.24 3.99 3.08 -1.92 0.40 114.38 120.71 2dks h ARG 89 Ca -0.32 0.02 0.38 0.00 0.07 0.00 0.00 59.98 60.13 2dks h ARG 89 Cb 1.26 0.06 -0.11 0.00 0.08 0.00 0.00 29.97 31.26 2dks h ARG 89 CO 0.39 -0.18 0.81 -0.91 -1.07 0.00 0.00 179.97 179.00 2dks h ASN 90 N -0.28 0.29 -0.84 7.04 4.21 -1.97 0.44 115.58 124.47 2dks h ASN 90 Ca 0.09 0.11 0.16 0.00 1.21 0.00 0.00 56.30 57.87 2dks h ASN 90 Cb 0.50 0.08 -0.10 0.00 -1.12 0.00 0.00 38.32 37.68 2dks h ASN 90 CO -0.62 -0.08 0.39 -0.78 -1.29 0.00 0.00 177.43 175.05 2dks h ASP 91 N 0.18 0.42 -0.84 5.81 1.82 -0.60 -3.41 116.42 119.79 2dks h ASP 91 Ca 0.74 0.11 -0.79 0.00 -0.39 0.00 0.00 57.03 56.69 2dks h ASP 91 Cb 2.24 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 42.30 2dks h ASP 91 CO -0.35 0.14 1.01 0.41 -1.61 0.00 0.00 179.24 178.84 2dks n THR 92 N -4.94 0.09 0.00 2.25 -1.04 0.15 -4.69 114.28 106.10 2dks n THR 92 Ca 0.17 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2dks n THR 92 Cb 0.48 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 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 5.37 1.03 3.24 3.41 0.00 -1.26 -5.05 105.19 111.93 2dks n GLY 93 Ca 0.38 0.20 -0.24 0.00 0.00 0.00 0.00 46.02 46.37 2dks n GLY 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dks s SER 94 N 2.00 2.32 -0.21 1.61 1.04 -1.26 -4.45 113.70 114.74 2dks s SER 94 Ca 0.00 -0.58 -0.04 0.00 0.48 0.00 0.00 55.95 55.81 2dks s SER 94 Cb 0.00 -0.15 0.08 0.00 0.10 0.00 0.00 66.02 66.05 2dks s SER 94 CO 0.00 0.09 0.15 -0.31 0.98 0.00 0.00 173.24 174.15 2dks s TYR 95 N -0.98 0.02 0.12 5.02 1.51 -1.23 -2.22 117.35 119.59 2dks s TYR 95 Ca 0.05 -0.25 -0.22 0.00 -1.01 0.00 0.00 57.07 55.64 2dks s TYR 95 Cb -0.09 -0.61 -0.07 0.00 -0.11 0.00 0.00 41.96 41.07 2dks s TYR 95 CO 0.03 -0.64 0.66 0.99 -1.11 0.00 0.00 175.55 175.48 2dks s THR 96 N 2.21 4.57 -0.16 -0.71 2.01 -0.85 -0.22 115.64 122.49 2dks s THR 96 Ca 0.05 1.43 0.02 0.00 0.31 0.00 0.00 61.69 63.51 2dks s THR 96 Cb -0.16 -4.01 0.01 0.00 0.01 0.00 0.00 72.50 68.36 2dks s THR 96 CO -0.17 0.54 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.87 2dks s LEU 97 N -1.13 2.18 -0.26 4.42 0.20 0.12 -0.42 118.68 123.78 2dks s LEU 97 Ca 0.32 -0.60 -0.05 0.00 0.69 0.00 0.00 54.13 54.49 2dks s LEU 97 Cb -0.21 -1.48 0.00 0.00 -0.43 0.00 0.00 46.19 44.08 2dks s LEU 97 CO 0.22 0.05 0.02 -1.58 -0.29 0.00 0.00 176.35 174.78 2dks s GLN 98 N 0.97 3.16 -0.30 1.98 0.74 0.11 -2.31 119.66 124.01 2dks s GLN 98 Ca -0.03 -0.79 -0.06 0.00 0.05 0.00 0.00 55.36 54.53 2dks s GLN 98 Cb -0.15 -3.20 0.02 0.00 1.10 0.00 0.00 33.01 30.78 2dks s GLN 98 CO -0.05 -0.35 0.07 0.08 -0.55 0.00 0.00 175.29 174.49 2dks s VAL 99 N 1.47 3.79 0.25 1.34 1.01 -1.24 -1.11 120.40 125.91 2dks s VAL 99 Ca 0.03 -0.84 -0.26 0.00 0.00 0.00 0.00 61.98 60.91 2dks s VAL 99 Cb -0.16 -3.00 -0.09 0.00 0.00 0.00 0.00 36.38 33.13 2dks s VAL 99 CO -0.00 0.03 0.88 -0.63 0.00 0.00 0.00 175.10 175.38 2dks s ILE 100 N 1.45 4.25 0.17 2.22 1.09 -0.34 -1.23 121.20 128.82 2dks s ILE 100 Ca 0.01 1.80 0.04 0.00 -1.10 0.00 0.00 60.65 61.40 2dks s ILE 100 Cb -0.18 -4.10 -0.04 0.00 -1.06 0.00 0.00 42.46 37.09 2dks s ILE 100 CO 0.02 0.33 0.22 -0.54 -0.10 0.00 0.00 174.94 174.87 2dks s LYS 101 N -1.62 3.17 0.08 2.79 1.02 0.92 -0.06 119.74 126.04 2dks s LYS 101 Ca 0.44 -0.77 0.09 0.00 0.02 0.00 0.00 55.97 55.75 2dks s LYS 101 Cb -0.21 -2.79 0.43 0.00 -0.52 0.00 0.00 37.83 34.74 2dks s LYS 101 CO 0.26 0.48 1.28 1.28 -0.92 0.00 0.00 175.35 177.74 2dks n LEU 102 N -0.62 0.16 -1.75 3.17 7.99 -1.21 -1.67 117.00 123.08 2dks n LEU 102 Ca -0.08 0.57 -0.12 0.00 -0.01 0.00 0.00 56.01 56.37 2dks n LEU 102 Cb 0.55 -0.57 0.15 0.00 -0.11 0.00 0.00 43.42 43.44 2dks n LEU 102 CO 0.46 -0.55 0.96 -3.20 -1.51 0.00 0.00 177.39 173.55 2dks n ASN 103 N -1.71 3.66 -3.59 -1.43 5.15 -1.26 -4.87 115.26 111.21 2dks n ASN 103 Ca 0.01 -2.99 -0.21 0.00 -0.60 0.00 0.00 54.58 50.79 2dks n ASN 103 Cb 0.06 -0.71 0.06 0.00 -0.53 0.00 0.00 39.78 38.66 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 -0.39 -3.49 -4.45 1.20 4.77 -0.67 -5.00 117.00 108.97 2dks n LEU 104 Ca 0.36 -0.69 -0.24 0.00 -0.03 0.00 0.00 56.01 55.41 2dks n LEU 104 Cb 1.21 -2.90 -0.08 0.00 -2.33 0.00 0.00 43.42 39.32 2dks n LEU 104 CO 0.37 0.44 -0.16 -0.04 -1.33 0.00 0.00 177.39 176.67 2dks s MET 105 N -5.83 1.91 -0.23 3.23 -1.94 -1.18 -4.95 119.30 110.30 2dks s MET 105 Ca 0.15 -2.16 -0.25 0.00 -1.71 0.00 0.00 55.69 51.72 2dks s MET 105 Cb -0.07 -0.31 0.07 0.00 2.01 0.00 0.00 34.83 36.53 2dks s MET 105 CO 0.77 -0.56 0.70 -1.12 -0.01 0.00 0.00 175.02 174.80 2dks s SER 106 N -3.55 -0.72 0.47 3.03 0.01 -1.26 -0.06 113.70 111.62 2dks s SER 106 Ca 0.28 1.31 0.06 0.00 1.31 0.00 0.00 55.95 58.91 2dks s SER 106 Cb 0.02 1.31 0.06 0.00 0.21 0.00 0.00 66.02 67.62 2dks s SER 106 CO 0.19 -0.30 0.50 -0.62 0.41 0.00 0.00 173.24 173.42 2dks n GLU 107 N 2.44 0.75 -3.81 12.44 1.02 -0.36 -4.93 120.64 128.19 2dks n GLU 107 Ca -0.15 -2.70 -0.13 0.00 -0.02 0.00 0.00 57.16 54.16 2dks n GLU 107 Cb 0.55 0.05 -0.13 0.00 -0.02 0.00 0.00 31.44 31.90 2dks n GLU 107 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2dks s GLU 108 N -4.02 0.17 -0.29 3.49 2.02 -1.26 -3.65 118.70 115.16 2dks s GLU 108 Ca 0.38 0.24 -0.12 0.00 0.02 0.00 0.00 54.97 55.50 2dks s GLU 108 Cb -0.03 0.05 0.11 0.00 0.10 0.00 0.00 34.13 34.37 2dks s GLU 108 CO 0.24 -0.04 0.66 0.54 0.02 0.00 0.00 175.26 176.68 2dks s VAL 109 N 0.24 -0.68 -0.65 2.63 0.11 -0.98 -4.99 120.40 116.08 2dks s VAL 109 Ca -0.01 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 58.83 2dks s VAL 109 Cb -0.03 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.92 2dks s VAL 109 CO -0.01 0.00 0.85 -0.89 -3.33 0.00 0.00 175.10 171.73 2dks s THR 110 N 2.50 4.60 -0.30 5.04 2.01 -1.26 0.10 115.64 128.32 2dks s THR 110 Ca -0.07 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.17 2dks s THR 110 Cb -0.10 -4.60 0.06 0.00 0.01 0.00 0.00 72.50 67.88 2dks s THR 110 CO -0.19 -1.31 -0.01 -0.83 -0.69 0.00 0.00 174.62 171.59 2dks s GLY 111 N 3.64 1.77 0.23 4.40 0.00 0.69 -4.90 107.32 113.14 2dks s GLY 111 Ca 0.18 -1.93 0.01 0.00 0.00 0.00 0.00 44.72 42.98 2dks s GLY 111 CO 0.07 0.73 0.05 0.61 0.00 0.00 0.00 173.10 174.56 2dks n GLN 112 N 4.51 0.94 -2.97 2.90 0.00 -1.26 -4.06 117.38 117.44 2dks n GLN 112 Ca -0.10 -1.82 -0.09 0.00 0.00 0.00 0.00 57.00 54.99 2dks n GLN 112 Cb 0.43 0.83 -0.03 0.00 0.00 0.00 0.00 30.24 31.47 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 -0.53 -0.74 -4.28 2.61 -1.74 -1.26 -4.59 117.46 106.93 2dks n PHE 113 Ca -0.05 -1.33 -0.18 0.00 -0.56 0.00 0.00 57.45 55.33 2dks n PHE 113 Cb 0.32 0.23 -0.13 0.00 1.52 0.00 0.00 39.48 41.42 2dks n PHE 113 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2dks s SER 114 N -2.17 1.40 0.07 5.98 0.15 -1.21 -4.12 113.70 113.80 2dks s SER 114 Ca 0.18 -0.43 0.10 0.00 0.70 0.00 0.00 55.95 56.49 2dks s SER 114 Cb 0.00 -0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.20 2dks s SER 114 CO 0.12 -0.01 -0.26 -0.69 1.20 0.00 0.00 173.24 173.61 2dks s VAL 115 N -0.86 2.23 -0.08 4.45 1.01 -1.26 -2.63 120.40 123.26 2dks s VAL 115 Ca -0.00 -1.48 -0.05 0.00 0.00 0.00 0.00 61.98 60.44 2dks s VAL 115 Cb -0.08 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.43 2dks s VAL 115 CO 0.01 0.29 0.19 -1.38 0.00 0.00 0.00 175.10 174.20 2dks s HIS 116 N -0.89 -0.22 0.20 5.22 -3.43 -0.24 -4.91 115.29 111.02 2dks s HIS 116 Ca 0.13 0.56 -0.30 0.00 -0.80 0.00 0.00 55.06 54.64 2dks s HIS 116 Cb -0.10 0.03 -0.09 0.00 -1.43 0.00 0.00 32.58 30.99 2dks s HIS 116 CO 0.03 -0.15 1.30 -1.25 -2.00 0.00 0.00 174.74 172.68 2dks s PRO 117 N 0.63 4.40 -1.08 -0.38 0.04 -1.26 -3.82 135.00 133.54 2dks s PRO 117 Ca -0.04 2.04 -0.23 0.00 0.04 0.00 0.00 61.00 62.81 2dks s PRO 117 Cb -0.06 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 2dks s PRO 117 CO -0.03 -0.23 1.88 -1.21 0.04 0.00 0.00 177.00 177.44 2dks s GLU 118 N -0.19 2.75 -0.01 4.56 0.41 -1.26 -4.89 118.70 120.08 2dks s GLU 118 Ca 0.56 -0.92 -0.05 0.00 -0.41 0.00 0.00 54.97 54.16 2dks s GLU 118 Cb -0.36 -5.21 -0.00 0.00 -1.78 0.00 0.00 34.13 26.77 2dks s GLU 118 CO 0.39 -3.44 0.09 0.95 -0.49 0.00 0.00 175.26 172.76 2dks s THR 119 N 9.50 0.06 0.38 3.63 -4.23 -1.26 -5.15 115.64 118.58 2dks s THR 119 Ca 0.66 -0.53 -0.26 0.00 -1.18 0.00 0.00 61.69 60.38 2dks s THR 119 Cb -0.02 -0.31 -0.09 0.00 1.34 0.00 0.00 72.50 73.41 2dks s THR 119 CO 0.06 -0.29 1.20 -2.16 -0.54 0.00 0.00 174.62 172.88 2dks s PRO 120 N -0.96 4.14 -0.20 3.99 0.04 -1.26 -5.01 135.00 135.74 2dks s PRO 120 Ca -0.11 1.93 -0.20 0.00 0.04 0.00 0.00 61.00 62.66 2dks s PRO 120 Cb -0.06 -2.79 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 2dks s PRO 120 CO 0.01 -0.27 0.58 -1.59 0.04 0.00 0.00 177.00 175.77 2dks s LYS 121 N -2.14 4.20 0.95 4.56 -2.85 -1.26 -5.06 119.74 118.15 2dks s LYS 121 Ca 0.55 0.53 -0.12 0.00 -1.00 0.00 0.00 55.97 55.93 2dks s LYS 121 Cb -0.33 -3.57 0.16 0.00 -2.06 0.00 0.00 37.83 32.03 2dks s LYS 121 CO 0.42 -0.20 1.09 -1.25 0.10 0.00 0.00 175.35 175.51 2dks s PRO 122 N 1.80 0.80 0.11 1.78 0.04 -1.26 -4.97 135.00 133.30 2dks s PRO 122 Ca 0.27 0.66 -0.32 0.00 0.04 0.00 0.00 61.00 61.64 2dks s PRO 122 Cb -0.16 -1.77 -0.12 0.00 0.04 0.00 0.00 34.50 32.49 2dks s PRO 122 CO 0.10 -2.51 1.58 1.03 0.04 0.00 0.00 177.00 177.24 2dks h SER 123 N -1.74 -1.33 -3.24 6.66 0.87 -2.08 -3.41 113.55 109.29 2dks h SER 123 Ca -0.52 0.14 -0.57 0.00 -1.23 0.00 0.00 61.79 59.61 2dks h SER 123 Cb 1.31 0.49 -0.04 0.00 -0.44 0.00 0.00 62.40 63.71 2dks h SER 123 CO 0.56 -0.53 -0.08 -0.51 -0.53 0.00 0.00 176.83 175.74 2dks s ILE 124 N -5.88 4.83 0.21 2.23 1.10 -1.26 -5.07 121.20 117.36 2dks s ILE 124 Ca -0.17 1.00 -0.23 0.00 -0.51 0.00 0.00 60.65 60.74 2dks s ILE 124 Cb 0.07 -3.80 0.05 0.00 0.15 0.00 0.00 42.46 38.92 2dks s ILE 124 CO 0.62 0.42 0.87 -0.94 -2.11 0.00 0.00 174.94 173.81 2dks s SER 125 N -1.37 -0.19 -0.38 4.50 1.04 -1.26 -5.04 113.70 111.00 2dks s SER 125 Ca 0.32 -0.52 -0.02 0.00 0.48 0.00 0.00 55.95 56.21 2dks s SER 125 Cb -0.17 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 2dks s SER 125 CO 0.18 -1.10 0.34 0.61 0.98 0.00 0.00 173.24 174.25 2dks n GLY 126 N -0.48 -0.12 3.77 7.32 0.00 -1.26 -5.02 105.19 109.41 2dks n GLY 126 Ca -0.05 0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.39 3.10 -0.79 1.61 0.04 -1.26 -4.94 135.00 129.38 2dks s PRO 127 Ca 0.13 1.51 -0.26 0.00 0.04 0.00 0.00 61.00 62.42 2dks s PRO 127 Cb -0.02 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.56 2dks s PRO 127 CO 0.29 -1.03 1.51 -1.54 0.04 0.00 0.00 177.00 176.27 2dks s SER 128 N -2.14 5.94 -0.14 6.66 1.04 -1.26 -4.97 113.70 118.83 2dks s SER 128 Ca 0.70 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 56.61 2dks s SER 128 Cb -0.22 -2.56 -0.00 0.00 0.10 0.00 0.00 66.02 63.34 2dks s SER 128 CO 0.34 -1.98 -0.17 -0.44 0.98 0.00 0.00 173.24 171.97 2dks s SER 129 N 5.40 3.58 0.00 7.02 0.01 -1.26 -5.34 113.70 123.11 2dks s SER 129 Ca 0.48 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.27 2dks s SER 129 Cb -0.07 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.62 2dks s SER 129 CO 0.09 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.46