#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 6.90 -1.47 1.61 0.15 -1.26 -3.80 113.70 115.83 2dks s SER 2 Ca 0.00 1.09 -0.11 0.00 0.70 0.00 0.00 55.95 57.63 2dks s SER 2 Cb 0.00 -2.48 0.06 0.00 -1.71 0.00 0.00 66.02 61.89 2dks s SER 2 CO 0.00 -0.62 1.00 -0.24 1.20 0.00 0.00 173.24 174.59 2dks n SER 3 N 6.23 -4.76 -4.92 5.45 2.88 -1.26 -4.97 113.62 112.27 2dks n SER 3 Ca 0.08 -0.73 -0.28 0.00 -1.33 0.00 0.00 58.87 56.61 2dks n SER 3 Cb 0.47 -4.17 -0.03 0.00 -0.75 0.00 0.00 64.21 59.73 2dks n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dks s GLY 4 N -3.43 1.82 -0.01 0.46 0.00 -1.25 -5.10 107.32 99.80 2dks s GLY 4 Ca 0.57 -0.79 -0.01 0.00 0.00 0.00 0.00 44.72 44.50 2dks s GLY 4 CO 0.81 -0.73 0.08 -1.35 0.00 0.00 0.00 173.10 171.90 2dks s SER 5 N -3.13 5.69 0.73 1.64 1.04 -1.26 -5.12 113.70 113.29 2dks s SER 5 Ca 0.39 0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.95 2dks s SER 5 Cb -0.11 -1.64 0.11 0.00 0.10 0.00 0.00 66.02 64.48 2dks s SER 5 CO 0.29 0.29 1.02 -0.94 0.98 0.00 0.00 173.24 174.87 2dks s SER 6 N -1.65 4.37 0.00 7.02 1.04 -1.26 -5.11 113.70 118.12 2dks s SER 6 Ca 0.22 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2dks s SER 6 Cb -0.12 -0.38 0.00 0.00 0.10 0.00 0.00 66.02 65.62 2dks s SER 6 CO 0.13 -1.85 0.00 0.61 0.98 0.00 0.00 173.24 173.11 2dks n GLY 7 N -2.93 4.46 3.77 7.32 0.00 -1.26 -5.14 105.19 111.41 2dks n GLY 7 Ca 0.13 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 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 0.27 3.40 -0.02 2.61 -4.23 -1.26 -5.04 115.64 111.36 2dks s THR 8 Ca 0.00 1.23 -0.03 0.00 -1.18 0.00 0.00 61.69 61.72 2dks s THR 8 Cb 0.00 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 2dks s THR 8 CO 0.00 0.17 0.17 0.00 -0.54 0.00 0.00 174.62 174.42 2dks s ALA 9 N -1.38 3.94 -0.30 3.99 0.00 -1.26 -5.09 121.76 121.66 2dks s ALA 9 Ca 0.52 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 51.61 2dks s ALA 9 Cb -0.29 -1.88 0.13 0.00 0.00 0.00 0.00 23.12 21.08 2dks s ALA 9 CO 0.37 0.74 0.72 1.14 0.00 0.00 0.00 175.76 178.73 2dks s GLN 10 N -1.87 0.53 -0.41 0.00 -2.07 -1.26 -5.11 119.66 109.47 2dks s GLN 10 Ca 0.26 1.29 -0.41 0.00 -1.82 0.00 0.00 55.36 54.68 2dks s GLN 10 Cb -0.13 0.72 -0.16 0.00 -1.09 0.00 0.00 33.01 32.36 2dks s GLN 10 CO 0.17 -0.18 2.00 -0.11 -1.32 0.00 0.00 175.29 175.86 2dks n LEU 11 N 5.24 1.54 -4.31 2.60 0.00 -1.26 -4.70 117.00 116.11 2dks n LEU 11 Ca -0.12 0.75 -0.16 0.00 0.00 0.00 0.00 56.01 56.48 2dks n LEU 11 Cb 0.51 -1.05 -0.10 0.00 0.00 0.00 0.00 43.42 42.77 2dks n LEU 11 CO -0.04 -0.70 -0.34 0.28 0.00 0.00 0.00 177.39 176.60 2dks s THR 12 N 5.49 0.99 -0.07 1.96 -1.32 -1.10 -4.81 115.64 116.77 2dks s THR 12 Ca 1.11 -2.03 0.01 0.00 -1.21 0.00 0.00 61.69 59.57 2dks s THR 12 Cb -1.23 -2.27 0.02 0.00 -1.51 0.00 0.00 72.50 67.51 2dks s THR 12 CO 0.63 -0.38 -0.10 -0.63 -2.21 0.00 0.00 174.62 171.93 2dks s ILE 13 N -3.45 0.98 -0.19 5.08 1.01 -1.26 -0.33 121.20 123.04 2dks s ILE 13 Ca 0.27 -0.36 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 2dks s ILE 13 Cb 0.05 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.59 2dks s ILE 13 CO 0.07 0.33 -0.13 -0.70 0.00 0.00 0.00 174.94 174.51 2dks s GLU 14 N 0.97 3.18 0.29 2.79 2.12 0.30 -4.79 118.70 123.55 2dks s GLU 14 Ca -0.09 -0.74 -0.29 0.00 0.36 0.00 0.00 54.97 54.21 2dks s GLU 14 Cb -0.15 -2.74 -0.10 0.00 0.26 0.00 0.00 34.13 31.41 2dks s GLU 14 CO 0.00 -0.15 1.29 0.00 -0.54 0.00 0.00 175.26 175.86 2dks s ALA 15 N 1.24 3.50 -0.22 6.30 0.00 -1.26 -1.13 121.76 130.19 2dks s ALA 15 Ca 0.03 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 53.13 2dks s ALA 15 Cb -0.14 -3.47 0.08 0.00 0.00 0.00 0.00 23.12 19.60 2dks s ALA 15 CO -0.07 -0.56 0.14 0.08 0.00 0.00 0.00 175.76 175.35 2dks s VAL 16 N -0.75 -0.14 1.13 0.00 1.01 0.17 -2.78 120.40 119.03 2dks s VAL 16 Ca 0.51 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 61.95 2dks s VAL 16 Cb -0.38 -0.75 0.25 0.00 0.00 0.00 0.00 36.38 35.50 2dks s VAL 16 CO 0.47 -0.43 1.10 -2.16 0.00 0.00 0.00 175.10 174.08 2dks s PRO 17 N 2.17 -0.64 0.29 2.72 0.04 -1.26 0.09 135.00 138.41 2dks s PRO 17 Ca 0.06 0.14 0.15 0.00 0.04 0.00 0.00 61.00 61.39 2dks s PRO 17 Cb -0.16 -1.65 0.14 0.00 0.04 0.00 0.00 34.50 32.88 2dks s PRO 17 CO -0.21 -3.36 1.48 1.03 0.04 0.00 0.00 177.00 175.98 2dks h SER 18 N -2.34 0.00 -1.87 6.66 0.87 -1.91 -3.43 113.55 111.54 2dks h SER 18 Ca -0.49 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 59.88 2dks h SER 18 Cb 1.31 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.97 2dks h SER 18 CO 0.43 0.50 -0.52 0.20 -0.53 0.00 0.00 176.83 176.92 2dks s ASN 19 N -6.46 0.48 0.56 6.23 -0.87 -1.26 -3.43 114.94 110.19 2dks s ASN 19 Ca 0.03 -0.12 0.09 0.00 -1.57 0.00 0.00 52.86 51.30 2dks s ASN 19 Cb 0.08 1.03 0.08 0.00 -0.02 0.00 0.00 41.25 42.42 2dks s ASN 19 CO 0.74 -0.33 0.73 0.00 -2.57 0.00 0.00 177.10 175.67 2dks s ALA 20 N 2.52 4.67 0.09 0.60 0.00 -1.14 -4.92 121.76 123.56 2dks s ALA 20 Ca 0.11 -2.01 0.07 0.00 0.00 0.00 0.00 51.96 50.13 2dks s ALA 20 Cb -0.14 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 2dks s ALA 20 CO -0.23 -0.78 -0.11 0.00 0.00 0.00 0.00 175.76 174.64 2dks s ALA 21 N -2.67 2.91 0.02 0.00 0.00 -1.26 -1.55 121.76 119.21 2dks s ALA 21 Ca 0.58 -1.22 -0.32 0.00 0.00 0.00 0.00 51.96 51.00 2dks s ALA 21 Cb -0.05 -0.90 -0.16 0.00 0.00 0.00 0.00 23.12 22.01 2dks s ALA 21 CO 0.36 0.63 0.83 0.39 0.00 0.00 0.00 175.76 177.97 2dks n GLU 22 N 0.90 0.00 0.00 0.00 1.02 -1.12 0.34 120.64 121.77 2dks n GLU 22 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 2dks n GLU 22 Cb 0.52 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 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 1.31 2.70 3.95 0.62 0.00 -0.68 -4.87 105.19 108.22 2dks n GLY 23 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 2dks n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dks s LYS 24 N -0.66 1.58 0.13 1.61 -0.14 0.15 -3.97 119.74 118.45 2dks s LYS 24 Ca 0.00 -0.55 0.08 0.00 -1.36 0.00 0.00 55.97 54.15 2dks s LYS 24 Cb 0.00 -2.12 -0.04 0.00 -1.68 0.00 0.00 37.83 33.99 2dks s LYS 24 CO 0.00 -1.65 -0.13 -1.83 -0.76 0.00 0.00 175.35 170.98 2dks s GLU 25 N -5.41 1.98 -0.09 1.68 4.04 -1.26 -0.59 118.70 119.05 2dks s GLU 25 Ca 0.66 -1.15 0.00 0.00 0.04 0.00 0.00 54.97 54.52 2dks s GLU 25 Cb -0.07 -2.19 0.02 0.00 0.02 0.00 0.00 34.13 31.91 2dks s GLU 25 CO 0.47 0.48 -0.07 0.08 -1.84 0.00 0.00 175.26 174.38 2dks s VAL 26 N -1.32 0.90 -0.39 1.83 1.01 0.92 -4.51 120.40 118.85 2dks s VAL 26 Ca 0.21 -0.25 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 2dks s VAL 26 Cb -0.10 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.37 2dks s VAL 26 CO 0.13 0.34 0.27 -0.22 0.00 0.00 0.00 175.10 175.61 2dks s LEU 27 N 1.48 4.90 -0.81 3.92 2.96 0.11 -0.14 118.68 131.10 2dks s LEU 27 Ca -0.00 -0.82 -0.21 0.00 -0.22 0.00 0.00 54.13 52.87 2dks s LEU 27 Cb -0.13 -2.12 0.09 0.00 0.50 0.00 0.00 46.19 44.52 2dks s LEU 27 CO -0.05 -0.39 1.10 -0.76 -1.32 0.00 0.00 176.35 174.93 2dks s LEU 28 N 1.66 4.45 0.68 -0.68 1.43 -0.97 0.44 118.68 125.69 2dks s LEU 28 Ca 0.05 -1.40 -0.11 0.00 -1.03 0.00 0.00 54.13 51.63 2dks s LEU 28 Cb -0.19 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.59 2dks s LEU 28 CO 0.09 -1.34 1.06 -0.76 0.23 0.00 0.00 176.35 175.63 2dks s LEU 29 N 3.77 3.18 0.06 1.79 1.43 -0.28 -3.27 118.68 125.36 2dks s LEU 29 Ca 0.30 1.62 0.06 0.00 -1.03 0.00 0.00 54.13 55.08 2dks s LEU 29 Cb -0.10 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.60 2dks s LEU 29 CO 0.01 -1.38 -0.17 -0.69 0.23 0.00 0.00 176.35 174.35 2dks s VAL 30 N -2.99 1.34 0.31 -1.59 1.01 -1.26 -0.54 120.40 116.68 2dks s VAL 30 Ca 0.58 -1.22 0.05 0.00 0.00 0.00 0.00 61.98 61.39 2dks s VAL 30 Cb -0.14 -1.22 -0.06 0.00 0.00 0.00 0.00 36.38 34.96 2dks s VAL 30 CO 0.53 -0.02 0.03 -1.00 0.00 0.00 0.00 175.10 174.63 2dks s HIS 31 N -1.00 1.98 -1.73 5.22 0.09 0.55 -4.75 115.29 115.65 2dks s HIS 31 Ca 0.03 -0.88 0.00 0.00 -0.00 0.00 0.00 55.06 54.21 2dks s HIS 31 Cb -0.09 -1.26 0.00 0.00 -0.00 0.00 0.00 32.58 31.23 2dks s HIS 31 CO 0.02 0.10 0.00 0.09 -0.00 0.00 0.00 174.74 174.95 2dks n ASN 32 N -0.67 -5.00 -4.45 1.40 3.02 -1.26 -2.72 115.26 105.58 2dks n ASN 32 Ca -0.03 0.25 -0.34 0.00 -0.03 0.00 0.00 54.58 54.43 2dks n ASN 32 Cb 0.66 -4.33 0.11 0.00 -0.61 0.00 0.00 39.78 35.61 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 -2.57 0.35 -4.77 3.41 4.77 -1.26 -4.33 117.00 112.59 2dks n LEU 33 Ca -0.20 0.40 -0.37 0.00 -0.03 0.00 0.00 56.01 55.82 2dks n LEU 33 Cb 0.63 -1.23 -0.01 0.00 -2.33 0.00 0.00 43.42 40.48 2dks n LEU 33 CO 0.26 -3.38 0.82 -2.16 -1.33 0.00 0.00 177.39 171.60 2dks s PRO 34 N -3.50 3.68 0.14 3.23 0.04 -1.26 -4.95 135.00 132.37 2dks s PRO 34 Ca 0.60 1.73 -0.33 0.00 0.04 0.00 0.00 61.00 63.05 2dks s PRO 34 Cb -0.25 -2.32 -0.10 0.00 0.04 0.00 0.00 34.50 31.87 2dks s PRO 34 CO 0.64 -0.61 1.55 -0.56 0.04 0.00 0.00 177.00 178.06 2dks h GLN 35 N 1.87 -0.33 -3.86 4.56 3.07 -2.03 -3.35 115.11 115.04 2dks h GLN 35 Ca -0.49 0.02 -0.61 0.00 0.09 0.00 0.00 58.65 57.66 2dks h GLN 35 Cb 1.25 0.07 -0.40 0.00 0.08 0.00 0.00 27.48 28.48 2dks h GLN 35 CO 0.59 -0.22 -0.74 -0.51 0.09 0.00 0.00 178.83 178.04 2dks s ASP 36 N -5.13 4.24 0.68 0.06 1.01 -1.26 -5.12 116.67 111.15 2dks s ASP 36 Ca -0.14 -1.85 -0.14 0.00 0.71 0.00 0.00 52.55 51.13 2dks s ASP 36 Cb 0.09 -1.11 0.01 0.00 1.01 0.00 0.00 42.92 42.92 2dks s ASP 36 CO 0.62 -0.40 1.11 -2.16 0.21 0.00 0.00 175.17 174.55 2dks s PRO 37 N 1.33 2.69 -0.06 8.23 0.04 -1.26 -3.49 135.00 142.48 2dks s PRO 37 Ca 0.11 1.35 0.05 0.00 0.04 0.00 0.00 61.00 62.54 2dks s PRO 37 Cb -0.18 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 2dks s PRO 37 CO -0.19 -1.33 0.00 -2.13 0.04 0.00 0.00 177.00 173.40 2dks n ARG 38 N -2.63 2.44 0.00 4.56 0.63 0.20 -4.75 116.66 117.11 2dks n ARG 38 Ca 0.10 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 2dks n ARG 38 Cb 0.52 -1.16 0.00 0.00 0.45 0.00 0.00 32.46 32.27 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 2.72 1.27 3.85 5.14 0.00 -0.94 -2.09 105.19 115.14 2dks n GLY 39 Ca -0.11 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.25 3.38 -0.20 1.61 2.02 0.35 0.09 117.35 123.36 2dks s TYR 40 Ca 0.00 0.20 -0.04 0.00 -0.37 0.00 0.00 57.07 56.86 2dks s TYR 40 Cb 0.00 -1.72 0.10 0.00 -0.40 0.00 0.00 41.96 39.94 2dks s TYR 40 CO 0.00 0.57 0.28 -0.80 -1.57 0.00 0.00 175.55 174.03 2dks s ASN 41 N -2.30 0.74 0.05 2.29 0.01 0.87 -0.63 114.94 115.98 2dks s ASN 41 Ca 0.31 0.15 -0.01 0.00 -0.71 0.00 0.00 52.86 52.59 2dks s ASN 41 Cb -0.13 0.71 -0.04 0.00 0.41 0.00 0.00 41.25 42.20 2dks s ASN 41 CO 0.23 -0.29 0.23 0.26 -1.51 0.00 0.00 177.10 176.01 2dks s TRP 42 N 2.42 3.52 0.25 2.20 0.52 -0.61 0.32 118.94 127.57 2dks s TRP 42 Ca 0.07 0.33 0.01 0.00 0.02 0.00 0.00 56.10 56.53 2dks s TRP 42 Cb -0.15 -1.82 -0.04 0.00 -1.15 0.00 0.00 33.47 30.32 2dks s TRP 42 CO -0.12 0.58 0.14 0.71 0.02 0.00 0.00 176.95 178.28 2dks s TYR 43 N -1.48 1.43 -0.33 -1.98 1.51 0.20 -1.38 117.35 115.32 2dks s TYR 43 Ca 0.34 -1.35 -0.07 0.00 -1.01 0.00 0.00 57.07 54.97 2dks s TYR 43 Cb -0.13 -0.74 0.03 0.00 -0.11 0.00 0.00 41.96 41.01 2dks s TYR 43 CO 0.25 -0.55 0.11 0.21 -1.11 0.00 0.00 175.55 174.46 2dks s LYS 44 N -3.97 2.76 0.00 -0.62 2.20 0.62 -3.16 119.74 117.56 2dks s LYS 44 Ca 0.38 -1.09 0.00 0.00 -0.36 0.00 0.00 55.97 54.90 2dks s LYS 44 Cb 0.06 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 2dks s LYS 44 CO 0.15 -0.61 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 2dks n GLY 45 N 4.85 0.21 1.62 5.54 0.00 0.18 -4.70 105.19 112.89 2dks n GLY 45 Ca -0.13 -1.97 -0.15 0.00 0.00 0.00 0.00 46.02 43.77 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 3.04 -3.82 1.61 1.02 -1.26 -2.29 120.64 118.93 2dks n GLU 46 Ca 0.00 -3.92 -0.12 0.00 -0.02 0.00 0.00 57.16 53.10 2dks n GLU 46 Cb 0.00 -2.09 -0.10 0.00 -0.02 0.00 0.00 31.44 29.23 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 -4.21 0.05 -1.03 2.62 -4.23 -1.26 -5.03 115.64 102.55 2dks s THR 47 Ca 0.47 -0.40 -0.01 0.00 -1.18 0.00 0.00 61.69 60.57 2dks s THR 47 Cb 0.40 -0.44 0.32 0.00 1.34 0.00 0.00 72.50 74.11 2dks s THR 47 CO 0.01 -0.22 1.77 0.52 -0.54 0.00 0.00 174.62 176.16 2dks n VAL 48 N 1.92 5.99 -4.20 2.29 0.31 -1.26 -4.64 118.33 118.74 2dks n VAL 48 Ca -0.19 -5.98 -0.35 0.00 -0.01 0.00 0.00 64.34 57.81 2dks n VAL 48 Cb 0.57 -1.63 -0.10 0.00 -0.91 0.00 0.00 33.84 31.77 2dks n VAL 48 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dks s ASP 49 N -1.43 5.38 0.29 4.52 2.15 -1.26 -5.00 116.67 121.33 2dks s ASP 49 Ca 0.38 0.09 0.04 0.00 0.43 0.00 0.00 52.55 53.49 2dks s ASP 49 Cb 0.17 -1.77 0.72 0.00 -0.30 0.00 0.00 42.92 41.74 2dks s ASP 49 CO -0.09 0.26 1.72 0.00 -0.17 0.00 0.00 175.17 176.88 2dks h ALA 50 N 6.04 1.47 -0.85 3.66 0.00 -1.96 0.30 119.26 127.92 2dks h ALA 50 Ca -0.42 0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.77 2dks h ALA 50 Cb 1.19 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 2dks h ALA 50 CO 0.63 -0.27 0.55 -0.91 0.00 0.00 0.00 179.25 179.24 2dks h ASN 51 N 0.48 0.59 -0.62 0.00 2.35 -2.00 0.13 115.58 116.51 2dks h ASN 51 Ca 0.56 0.03 -0.18 0.00 -0.55 0.00 0.00 56.30 56.16 2dks h ASN 51 Cb 1.01 -0.08 -0.11 0.00 0.05 0.00 0.00 38.32 39.18 2dks h ASN 51 CO -0.48 0.30 0.19 0.54 -1.65 0.00 0.00 177.43 176.33 2dks n ARG 52 N -4.54 3.35 -2.85 0.81 5.12 0.98 -4.50 116.66 115.04 2dks n ARG 52 Ca 0.16 -3.07 -0.42 0.00 -1.93 0.00 0.00 57.85 52.59 2dks n ARG 52 Cb 0.48 -2.11 -0.04 0.00 -1.16 0.00 0.00 32.46 29.62 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 -3.01 4.02 -0.04 5.56 3.52 0.45 -0.28 118.95 129.17 2dks s ARG 53 Ca 0.52 0.77 -0.18 0.00 -0.13 0.00 0.00 55.73 56.71 2dks s ARG 53 Cb 0.42 -3.72 -0.13 0.00 -1.56 0.00 0.00 34.95 29.97 2dks s ARG 53 CO 0.11 -0.73 0.77 0.82 -0.81 0.00 0.00 175.30 175.46 2dks h ILE 54 N 5.62 0.50 -1.85 4.11 2.04 -1.43 -2.97 117.51 123.53 2dks h ILE 54 Ca -0.23 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 2dks h ILE 54 Cb 1.08 0.83 -0.21 0.00 -0.74 0.00 0.00 36.82 37.78 2dks h ILE 54 CO 0.93 0.13 0.29 -0.51 0.00 0.00 0.00 178.15 178.99 2dks s ILE 55 N -3.38 0.00 0.02 -0.67 2.07 -1.19 -2.39 121.20 115.66 2dks s ILE 55 Ca -0.11 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.18 2dks s ILE 55 Cb 0.01 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.58 2dks s ILE 55 CO 0.38 0.00 -0.13 -0.83 -1.91 0.00 0.00 174.94 172.45 2dks s GLY 56 N -0.67 0.68 0.01 1.50 0.00 -1.12 -1.58 107.32 106.13 2dks s GLY 56 Ca -0.05 -0.69 0.03 0.00 0.00 0.00 0.00 44.72 44.01 2dks s GLY 56 CO 0.04 -0.64 -0.08 -0.47 0.00 0.00 0.00 173.10 171.95 2dks s TYR 57 N -0.65 0.73 -0.19 1.90 5.04 0.20 -1.34 117.35 123.05 2dks s TYR 57 Ca 0.02 -0.22 -0.00 0.00 -2.44 0.00 0.00 57.07 54.43 2dks s TYR 57 Cb -0.07 -0.46 0.01 0.00 0.35 0.00 0.00 41.96 41.80 2dks s TYR 57 CO 0.01 -0.02 -0.15 0.08 -1.34 0.00 0.00 175.55 174.13 2dks s VAL 58 N -0.46 2.47 0.16 3.14 1.01 0.07 -0.49 120.40 126.29 2dks s VAL 58 Ca 0.01 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 2dks s VAL 58 Cb -0.05 -2.07 -0.10 0.00 0.00 0.00 0.00 36.38 34.16 2dks s VAL 58 CO 0.00 0.50 1.42 0.40 0.00 0.00 0.00 175.10 177.42 2dks h ILE 59 N 5.88 1.33 -0.41 2.22 2.04 -1.73 1.89 117.51 128.71 2dks h ILE 59 Ca -0.44 -1.95 0.04 0.00 1.00 0.00 0.00 64.86 63.50 2dks h ILE 59 Cb 1.14 1.92 -0.02 0.00 -0.74 0.00 0.00 36.82 39.13 2dks h ILE 59 CO 0.63 0.60 0.27 -1.28 0.00 0.00 0.00 178.15 178.38 2dks h SER 60 N 0.43 0.36 0.00 1.72 0.87 -1.88 -2.63 113.55 112.41 2dks h SER 60 Ca -0.02 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2dks h SER 60 Cb 1.25 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2dks h SER 60 CO 0.13 0.25 -0.01 -3.20 -0.53 0.00 0.00 176.83 173.46 2dks n ASN 61 N -4.48 1.77 -3.79 6.23 5.15 -1.17 -4.99 115.26 113.97 2dks n ASN 61 Ca 0.04 -2.01 -0.31 0.00 -0.60 0.00 0.00 54.58 51.70 2dks n ASN 61 Cb 0.17 -0.06 -0.06 0.00 -0.53 0.00 0.00 39.78 39.31 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 -0.54 -0.80 -4.10 1.20 6.02 0.63 -4.87 117.38 114.92 2dks n GLN 62 Ca 0.02 0.10 -0.30 0.00 -0.01 0.00 0.00 57.00 56.81 2dks n GLN 62 Cb 0.34 -3.47 -0.07 0.00 1.02 0.00 0.00 30.24 28.05 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 -5.73 2.67 -0.07 -1.09 0.74 -0.64 -4.90 119.66 110.63 2dks s GLN 63 Ca 0.58 -0.78 0.04 0.00 0.05 0.00 0.00 55.36 55.24 2dks s GLN 63 Cb -0.34 -2.61 0.00 0.00 1.10 0.00 0.00 33.01 31.17 2dks s GLN 63 CO 0.77 0.55 -0.20 0.42 -0.55 0.00 0.00 175.29 176.28 2dks s ILE 64 N -1.34 1.68 -0.31 -2.34 1.01 -1.26 -0.75 121.20 117.89 2dks s ILE 64 Ca 0.27 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 2dks s ILE 64 Cb -0.12 -1.47 0.10 0.00 0.01 0.00 0.00 42.46 40.99 2dks s ILE 64 CO 0.20 0.48 0.12 -0.89 0.00 0.00 0.00 174.94 174.85 2dks s THR 65 N 0.31 0.56 0.40 2.92 2.01 -0.45 -5.03 115.64 116.36 2dks s THR 65 Ca -0.13 -1.27 -0.25 0.00 0.31 0.00 0.00 61.69 60.34 2dks s THR 65 Cb -0.16 -1.43 -0.08 0.00 0.01 0.00 0.00 72.50 70.83 2dks s THR 65 CO 0.06 -0.72 1.19 -2.16 -0.69 0.00 0.00 174.62 172.29 2dks s PRO 66 N 1.67 4.06 0.00 4.92 0.04 -1.26 -2.81 135.00 141.62 2dks s PRO 66 Ca 0.10 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2dks s PRO 66 Cb -0.18 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.66 2dks s PRO 66 CO -0.26 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 176.85 2dks n GLY 67 N 0.66 1.89 0.17 0.56 0.00 -1.01 -4.95 105.19 102.50 2dks n GLY 67 Ca 0.04 -2.08 0.01 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.00 1.61 0.13 -1.83 -2.97 132.00 127.94 2dks h PRO 68 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 2dks h PRO 68 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 2dks h PRO 68 CO 0.00 0.48 0.16 0.00 -0.23 0.00 0.00 178.00 178.41 2dks n ALA 69 N -2.44 3.26 -2.57 -0.56 0.00 -1.12 -4.84 120.51 112.24 2dks n ALA 69 Ca -0.02 -0.71 -0.33 0.00 0.00 0.00 0.00 53.44 52.38 2dks n ALA 69 Cb 0.50 -1.11 -0.12 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.83 2.86 -0.07 0.00 5.04 -1.12 -4.41 117.35 118.82 2dks s TYR 70 Ca 0.14 -0.06 0.10 0.00 -2.44 0.00 0.00 57.07 54.81 2dks s TYR 70 Cb 0.12 -1.69 0.18 0.00 0.35 0.00 0.00 41.96 40.91 2dks s TYR 70 CO 0.03 0.26 1.09 0.43 -1.34 0.00 0.00 175.55 176.02 2dks n SER 71 N 2.31 1.12 -3.44 4.32 7.64 -1.26 -4.98 113.62 119.33 2dks n SER 71 Ca -0.18 -2.56 -0.25 0.00 1.01 0.00 0.00 58.87 56.90 2dks n SER 71 Cb 0.53 -0.32 0.05 0.00 -1.01 0.00 0.00 64.21 63.45 2dks n SER 71 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2dks n ASN 72 N -0.61 -5.84 0.00 6.43 2.85 -1.26 -4.85 115.26 111.98 2dks n ASN 72 Ca 0.08 -0.48 0.00 0.00 -0.11 0.00 0.00 54.58 54.07 2dks n ASN 72 Cb 0.71 -4.66 0.00 0.00 1.24 0.00 0.00 39.78 37.07 2dks n ASN 72 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2dks n ARG 73 N -4.53 1.11 -2.99 1.20 1.74 -1.26 -5.06 116.66 106.87 2dks n ARG 73 Ca -0.03 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.73 2dks n ARG 73 Cb 0.57 -0.91 -0.05 0.00 -1.02 0.00 0.00 32.46 31.05 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 -1.82 3.98 -0.06 5.56 8.01 -1.26 -3.29 118.70 129.81 2dks s GLU 74 Ca 0.00 0.70 -0.02 0.00 0.01 0.00 0.00 54.97 55.66 2dks s GLU 74 Cb 0.00 -2.37 0.04 0.00 -4.31 0.00 0.00 34.13 27.49 2dks s GLU 74 CO 0.00 0.06 0.11 0.99 0.01 0.00 0.00 175.26 176.43 2dks s THR 75 N -2.14 -0.16 1.06 3.63 2.01 -0.70 -4.95 115.64 114.39 2dks s THR 75 Ca 0.55 0.35 -0.14 0.00 0.31 0.00 0.00 61.69 62.76 2dks s THR 75 Cb -0.10 -0.21 0.22 0.00 0.01 0.00 0.00 72.50 72.41 2dks s THR 75 CO 0.21 0.15 1.09 -0.63 -0.69 0.00 0.00 174.62 174.74 2dks s ILE 76 N 1.99 1.94 0.11 1.82 1.09 -1.26 -0.28 121.20 126.61 2dks s ILE 76 Ca 0.01 0.00 0.02 0.00 -1.10 0.00 0.00 60.65 59.58 2dks s ILE 76 Cb -0.12 -2.46 -0.04 0.00 -1.06 0.00 0.00 42.46 38.78 2dks s ILE 76 CO -0.04 0.00 -0.05 -0.31 -0.10 0.00 0.00 174.94 174.43 2dks s TYR 77 N -2.93 0.92 -2.00 3.97 1.51 0.26 -4.80 117.35 114.28 2dks s TYR 77 Ca 0.67 -0.94 0.13 0.00 -1.01 0.00 0.00 57.07 55.91 2dks s TYR 77 Cb -0.18 -0.53 0.75 0.00 -0.11 0.00 0.00 41.96 41.88 2dks s TYR 77 CO 0.58 -0.18 1.17 -0.35 -1.11 0.00 0.00 175.55 175.67 2dks n PRO 78 N -0.07 0.49 -0.08 -1.71 -0.04 -1.26 -1.94 135.00 130.38 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 -1.40 0.10 0.00 -0.04 0.00 0.00 33.50 32.78 2dks n PRO 78 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2dks n ASN 79 N -0.90 2.10 -1.33 3.54 3.02 -1.26 -4.97 115.26 115.46 2dks n ASN 79 Ca 0.09 -2.79 -0.09 0.00 -0.03 0.00 0.00 54.58 51.76 2dks n ASN 79 Cb 0.04 -0.33 0.01 0.00 -0.61 0.00 0.00 39.78 38.89 2dks n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dks n ALA 80 N -1.16 -0.38 -2.54 5.41 0.00 -0.82 -4.52 120.51 116.50 2dks n ALA 80 Ca 0.12 0.11 -0.31 0.00 0.00 0.00 0.00 53.44 53.36 2dks n ALA 80 Cb 0.57 -1.80 -0.11 0.00 0.00 0.00 0.00 19.45 18.11 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 -2.84 4.28 -0.19 0.00 0.01 -1.25 -4.66 113.70 109.04 2dks s SER 81 Ca 0.11 -0.29 -0.00 0.00 1.31 0.00 0.00 55.95 57.07 2dks s SER 81 Cb -0.05 -0.86 0.02 0.00 0.21 0.00 0.00 66.02 65.34 2dks s SER 81 CO 0.13 0.25 -0.16 -0.22 0.41 0.00 0.00 173.24 173.66 2dks s LEU 82 N -1.56 2.39 -0.42 2.44 2.96 -1.20 0.92 118.68 124.20 2dks s LEU 82 Ca 0.17 -0.63 -0.20 0.00 -0.22 0.00 0.00 54.13 53.25 2dks s LEU 82 Cb -0.11 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.05 2dks s LEU 82 CO 0.08 -0.02 0.60 -0.22 -1.32 0.00 0.00 176.35 175.47 2dks s LEU 83 N 1.33 4.51 -0.11 -0.68 2.96 0.62 -2.29 118.68 125.02 2dks s LEU 83 Ca 0.04 -0.31 -0.22 0.00 -0.22 0.00 0.00 54.13 53.43 2dks s LEU 83 Cb -0.14 -2.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.86 2dks s LEU 83 CO -0.10 -0.70 0.63 -0.32 -1.32 0.00 0.00 176.35 174.55 2dks s MET 84 N 2.65 4.36 0.05 1.98 -2.45 0.80 -1.72 119.30 124.96 2dks s MET 84 Ca 0.21 0.72 0.05 0.00 -1.25 0.00 0.00 55.69 55.42 2dks s MET 84 Cb -0.15 -3.48 -0.04 0.00 1.25 0.00 0.00 34.83 32.42 2dks s MET 84 CO 0.17 0.00 -0.08 1.03 1.05 0.00 0.00 175.02 177.19 2dks s ARG 85 N 1.05 2.37 -1.29 4.11 0.52 -1.21 -0.06 118.95 124.45 2dks s ARG 85 Ca 0.33 -0.85 -0.00 0.00 -0.52 0.00 0.00 55.73 54.68 2dks s ARG 85 Cb -0.17 -2.41 -0.00 0.00 0.52 0.00 0.00 34.95 32.89 2dks s ARG 85 CO 0.14 0.56 0.73 0.09 0.02 0.00 0.00 175.30 176.84 2dks n ASN 86 N 1.20 -1.30 -4.20 0.23 3.02 -1.03 -4.84 115.26 108.34 2dks n ASN 86 Ca -0.14 -0.80 -0.29 0.00 -0.03 0.00 0.00 54.58 53.32 2dks n ASN 86 Cb 0.52 -4.17 0.24 0.00 -0.61 0.00 0.00 39.78 35.76 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 -4.25 0.00 -3.77 2.41 0.24 0.24 -4.52 118.33 108.69 2dks n VAL 87 Ca -0.30 -0.35 -0.10 0.00 -2.04 0.00 0.00 64.34 61.55 2dks n VAL 87 Cb 0.68 -0.85 -0.05 0.00 -1.47 0.00 0.00 33.84 32.14 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 -2.29 0.07 0.55 3.34 -4.23 -1.26 -1.68 115.64 110.14 2dks s THR 88 Ca 0.63 -0.91 0.36 0.00 -1.18 0.00 0.00 61.69 60.59 2dks s THR 88 Cb -0.19 -1.45 0.38 0.00 1.34 0.00 0.00 72.50 72.59 2dks s THR 88 CO 0.63 -0.32 2.25 0.08 -0.54 0.00 0.00 174.62 176.72 2dks h ARG 89 N 2.43 0.00 0.08 3.99 0.11 -1.94 -2.47 114.38 116.58 2dks h ARG 89 Ca -0.32 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.62 2dks h ARG 89 Cb 1.24 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.34 2dks h ARG 89 CO 0.46 0.02 -0.60 -0.97 0.10 0.00 0.00 179.97 178.98 2dks h ASN 90 N 0.00 0.39 -1.12 0.08 -1.24 -1.95 -3.29 115.58 108.45 2dks h ASN 90 Ca -0.00 -0.90 0.39 0.00 0.71 0.00 0.00 56.30 56.49 2dks h ASN 90 Cb 0.10 -0.13 -0.15 0.00 0.73 0.00 0.00 38.32 38.88 2dks h ASN 90 CO 0.00 1.26 0.67 0.44 -1.29 0.00 0.00 177.43 178.51 2dks h ASP 91 N -0.42 0.36 -1.28 1.15 3.32 -1.84 -3.41 116.42 114.31 2dks h ASP 91 Ca -0.10 0.19 -0.78 0.00 0.02 0.00 0.00 57.03 56.36 2dks h ASP 91 Cb 1.42 0.16 0.03 0.00 0.22 0.00 0.00 39.33 41.17 2dks h ASP 91 CO 0.11 -0.23 0.54 0.41 -1.72 0.00 0.00 179.24 178.36 2dks n THR 92 N -4.96 0.08 0.00 0.35 -1.04 -1.23 -4.57 114.28 102.91 2dks n THR 92 Ca 0.35 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 2dks n THR 92 Cb 1.23 -0.63 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 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 3.14 -1.06 3.24 3.41 0.00 -1.26 -5.07 105.19 107.59 2dks n GLY 93 Ca 0.25 0.61 -0.13 0.00 0.00 0.00 0.00 46.02 46.75 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 -0.27 -0.18 1.61 0.01 -1.26 -4.77 113.70 104.84 2dks s SER 94 Ca 0.00 0.39 -0.05 0.00 1.31 0.00 0.00 55.95 57.60 2dks s SER 94 Cb 0.00 0.51 0.06 0.00 0.21 0.00 0.00 66.02 66.80 2dks s SER 94 CO 0.00 -0.28 0.10 -0.31 0.41 0.00 0.00 173.24 173.16 2dks s TYR 95 N -0.58 0.15 -0.10 2.43 1.51 -1.14 0.51 117.35 120.13 2dks s TYR 95 Ca -0.07 -0.28 -0.20 0.00 -1.01 0.00 0.00 57.07 55.51 2dks s TYR 95 Cb -0.04 -0.67 -0.04 0.00 -0.11 0.00 0.00 41.96 41.11 2dks s TYR 95 CO 0.02 -0.53 0.57 0.99 -1.11 0.00 0.00 175.55 175.49 2dks s THR 96 N 2.16 5.12 -0.31 -0.71 2.01 -0.97 -0.53 115.64 122.41 2dks s THR 96 Ca 0.03 1.15 -0.02 0.00 0.31 0.00 0.00 61.69 63.16 2dks s THR 96 Cb -0.16 -3.91 0.05 0.00 0.01 0.00 0.00 72.50 68.50 2dks s THR 96 CO -0.10 0.28 0.02 -0.22 -0.69 0.00 0.00 174.62 173.91 2dks s LEU 97 N 0.78 4.04 -0.24 4.42 1.98 -0.52 -0.63 118.68 128.51 2dks s LEU 97 Ca 0.30 -1.34 -0.09 0.00 -2.89 0.00 0.00 54.13 50.12 2dks s LEU 97 Cb -0.16 -1.73 -0.04 0.00 0.66 0.00 0.00 46.19 44.92 2dks s LEU 97 CO 0.13 -0.29 0.11 -1.58 -1.89 0.00 0.00 176.35 172.83 2dks s GLN 98 N 1.25 3.83 -0.12 1.98 0.74 0.15 -3.08 119.66 124.41 2dks s GLN 98 Ca -0.04 -0.39 0.02 0.00 0.05 0.00 0.00 55.36 55.00 2dks s GLN 98 Cb -0.20 -3.41 -0.01 0.00 1.10 0.00 0.00 33.01 30.49 2dks s GLN 98 CO -0.01 -0.08 -0.18 0.54 -0.55 0.00 0.00 175.29 175.02 2dks s VAL 99 N 1.36 2.63 0.05 1.34 0.11 -1.20 -0.09 120.40 124.60 2dks s VAL 99 Ca 0.06 -0.82 -0.19 0.00 -2.93 0.00 0.00 61.98 58.10 2dks s VAL 99 Cb -0.15 -2.07 -0.06 0.00 -1.53 0.00 0.00 36.38 32.57 2dks s VAL 99 CO 0.05 0.54 0.55 -0.63 -3.33 0.00 0.00 175.10 172.28 2dks s ILE 100 N 0.32 4.82 0.40 7.04 1.09 0.11 -0.38 121.20 134.60 2dks s ILE 100 Ca -0.14 1.16 0.01 0.00 -1.10 0.00 0.00 60.65 60.59 2dks s ILE 100 Cb -0.17 -3.87 0.08 0.00 -1.06 0.00 0.00 42.46 37.44 2dks s ILE 100 CO 0.07 0.53 0.54 0.29 -0.10 0.00 0.00 174.94 176.28 2dks n LYS 101 N 1.94 0.35 0.15 2.79 4.01 0.10 0.58 118.16 128.09 2dks n LYS 101 Ca -0.10 -1.63 0.10 0.00 -0.51 0.00 0.00 58.31 56.17 2dks n LYS 101 Cb 0.51 -0.32 0.06 0.00 -0.51 0.00 0.00 35.03 34.77 2dks n LYS 101 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2dks h LEU 102 N 0.00 0.00 -1.23 -0.35 -0.00 -1.85 -3.28 115.31 108.60 2dks h LEU 102 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 2dks h LEU 102 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.37 2dks h LEU 102 CO 0.21 0.09 0.00 -0.46 -0.00 0.00 0.00 178.44 178.28 2dks n ASN 103 N -2.90 1.51 -2.66 -0.43 6.94 -1.26 -4.82 115.26 111.63 2dks n ASN 103 Ca 0.01 -2.11 -0.16 0.00 -0.02 0.00 0.00 54.58 52.29 2dks n ASN 103 Cb 0.58 -0.47 0.06 0.00 -2.36 0.00 0.00 39.78 37.58 2dks n ASN 103 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2dks n LEU 104 N 0.05 -3.01 -4.58 -4.53 4.77 -1.24 -5.03 117.00 103.44 2dks n LEU 104 Ca 0.04 -0.38 -0.27 0.00 -0.03 0.00 0.00 56.01 55.37 2dks n LEU 104 Cb 0.34 -2.28 -0.10 0.00 -2.33 0.00 0.00 43.42 39.06 2dks n LEU 104 CO 0.04 0.45 -0.26 -0.04 -1.33 0.00 0.00 177.39 176.25 2dks s MET 105 N -5.85 1.90 -0.05 3.23 -1.94 -1.26 -4.96 119.30 110.37 2dks s MET 105 Ca 0.38 -2.12 -0.04 0.00 -1.71 0.00 0.00 55.69 52.20 2dks s MET 105 Cb -0.17 -1.19 0.02 0.00 2.01 0.00 0.00 34.83 35.49 2dks s MET 105 CO 0.51 -0.23 0.13 -1.54 -0.01 0.00 0.00 175.02 173.87 2dks s SER 106 N -3.66 -0.12 0.41 3.03 1.04 -1.26 0.02 113.70 113.16 2dks s SER 106 Ca 0.27 0.25 0.08 0.00 0.48 0.00 0.00 55.95 57.04 2dks s SER 106 Cb 0.07 0.24 -0.00 0.00 0.10 0.00 0.00 66.02 66.42 2dks s SER 106 CO 0.13 -0.06 0.50 -1.61 0.98 0.00 0.00 173.24 173.19 2dks s GLU 107 N 0.23 2.74 -0.03 4.02 0.41 0.48 -4.94 118.70 121.62 2dks s GLU 107 Ca -0.01 -1.33 -0.02 0.00 -0.41 0.00 0.00 54.97 53.20 2dks s GLU 107 Cb -0.02 -2.63 0.02 0.00 -1.78 0.00 0.00 34.13 29.71 2dks s GLU 107 CO -0.01 -0.23 0.07 -1.21 -0.49 0.00 0.00 175.26 173.40 2dks s GLU 108 N -4.27 0.05 -0.30 1.61 2.02 -1.26 -3.25 118.70 113.31 2dks s GLU 108 Ca 0.52 0.16 -0.10 0.00 0.02 0.00 0.00 54.97 55.57 2dks s GLU 108 Cb -0.08 -0.07 0.14 0.00 0.10 0.00 0.00 34.13 34.22 2dks s GLU 108 CO 0.31 -0.07 0.67 0.54 0.02 0.00 0.00 175.26 176.73 2dks s VAL 109 N 0.49 -0.97 -0.60 2.63 0.11 -1.18 -4.96 120.40 115.93 2dks s VAL 109 Ca -0.04 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.76 2dks s VAL 109 Cb -0.05 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.84 2dks s VAL 109 CO -0.02 0.00 1.04 -0.89 -3.33 0.00 0.00 175.10 171.90 2dks s THR 110 N 2.87 4.22 -0.29 5.04 2.01 -1.26 -1.44 115.64 126.78 2dks s THR 110 Ca -0.04 0.33 0.03 0.00 0.31 0.00 0.00 61.69 62.32 2dks s THR 110 Cb -0.12 -4.65 0.08 0.00 0.01 0.00 0.00 72.50 67.82 2dks s THR 110 CO -0.19 -1.30 -0.02 -0.83 -0.69 0.00 0.00 174.62 171.59 2dks s GLY 111 N 3.10 1.65 0.24 4.40 0.00 0.31 -4.78 107.32 112.24 2dks s GLY 111 Ca 0.32 -1.99 0.01 0.00 0.00 0.00 0.00 44.72 43.07 2dks s GLY 111 CO 0.19 0.89 0.05 0.61 0.00 0.00 0.00 173.10 174.84 2dks n GLN 112 N 4.44 0.96 -3.51 2.90 0.00 -1.26 -4.18 117.38 116.73 2dks n GLN 112 Ca -0.05 -1.91 -0.12 0.00 0.00 0.00 0.00 57.00 54.91 2dks n GLN 112 Cb 0.42 0.84 -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 -0.56 -1.14 -4.73 2.61 -1.74 -1.26 -4.54 117.46 106.10 2dks n PHE 113 Ca -0.06 -1.90 -0.24 0.00 -0.56 0.00 0.00 57.45 54.69 2dks n PHE 113 Cb 0.34 0.40 -0.15 0.00 1.52 0.00 0.00 39.48 41.59 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 -2.72 1.94 -0.03 5.98 0.01 -1.22 -4.15 113.70 113.51 2dks s SER 114 Ca 0.24 -0.33 0.06 0.00 1.31 0.00 0.00 55.95 57.23 2dks s SER 114 Cb -0.00 -0.20 -0.02 0.00 0.21 0.00 0.00 66.02 66.00 2dks s SER 114 CO 0.17 0.18 -0.19 -0.69 0.41 0.00 0.00 173.24 173.13 2dks s VAL 115 N -0.46 2.69 0.01 3.43 1.01 -1.26 -2.90 120.40 122.92 2dks s VAL 115 Ca 0.06 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.19 2dks s VAL 115 Cb -0.07 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 2dks s VAL 115 CO -0.00 0.55 -0.20 -1.38 0.00 0.00 0.00 175.10 174.08 2dks s HIS 116 N -0.72 1.73 -0.77 5.22 -3.43 -0.60 -4.74 115.29 111.98 2dks s HIS 116 Ca 0.11 -0.35 -0.25 0.00 -0.80 0.00 0.00 55.06 53.77 2dks s HIS 116 Cb -0.10 -1.07 -0.04 0.00 -1.43 0.00 0.00 32.58 29.94 2dks s HIS 116 CO 0.01 0.03 1.91 -1.25 -2.00 0.00 0.00 174.74 173.44 2dks s PRO 117 N -0.82 2.58 -0.83 -0.38 0.04 -1.26 -2.81 135.00 131.52 2dks s PRO 117 Ca 0.07 0.11 -0.30 0.00 0.04 0.00 0.00 61.00 60.92 2dks s PRO 117 Cb -0.08 -4.76 -0.20 0.00 0.04 0.00 0.00 34.50 29.50 2dks s PRO 117 CO 0.01 -3.10 2.37 -1.91 0.04 0.00 0.00 177.00 174.41 2dks n GLU 118 N 9.00 0.00 -3.74 4.56 4.07 -1.26 -4.86 120.64 128.41 2dks n GLU 118 Ca 0.31 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.29 2dks n GLU 118 Cb 0.49 -1.36 -0.13 0.00 -0.06 0.00 0.00 31.44 30.38 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 7.73 -0.04 0.76 6.31 -4.23 -1.26 -5.06 115.64 119.86 2dks s THR 119 Ca 1.21 0.13 -0.11 0.00 -1.18 0.00 0.00 61.69 61.74 2dks s THR 119 Cb -1.18 -0.34 0.05 0.00 1.34 0.00 0.00 72.50 72.37 2dks s THR 119 CO 0.47 0.05 1.09 -2.16 -0.54 0.00 0.00 174.62 173.54 2dks s PRO 120 N 1.08 2.30 -0.21 3.99 0.04 -1.26 -5.08 135.00 135.86 2dks s PRO 120 Ca -0.08 1.19 -0.17 0.00 0.04 0.00 0.00 61.00 61.98 2dks s PRO 120 Cb -0.09 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.60 2dks s PRO 120 CO -0.07 -1.61 0.54 0.21 0.04 0.00 0.00 177.00 176.11 2dks s LYS 121 N -4.84 0.61 1.10 4.56 2.20 -1.26 -5.17 119.74 116.94 2dks s LYS 121 Ca 0.62 0.82 -0.15 0.00 -0.36 0.00 0.00 55.97 56.89 2dks s LYS 121 Cb -0.17 0.24 0.24 0.00 -1.51 0.00 0.00 37.83 36.63 2dks s LYS 121 CO 0.55 -0.10 1.10 -1.25 -0.36 0.00 0.00 175.35 175.29 2dks s PRO 122 N 0.60 -0.36 -0.68 4.03 0.04 -1.26 -4.95 135.00 132.42 2dks s PRO 122 Ca -0.02 0.25 -0.24 0.00 0.04 0.00 0.00 61.00 61.02 2dks s PRO 122 Cb -0.05 -1.67 0.05 0.00 0.04 0.00 0.00 34.50 32.88 2dks s PRO 122 CO -0.03 -3.20 1.08 -1.54 0.04 0.00 0.00 177.00 173.34 2dks s SER 123 N -3.64 6.19 0.23 6.66 1.04 -1.26 -4.91 113.70 118.00 2dks s SER 123 Ca 0.68 -0.74 -0.11 0.00 0.48 0.00 0.00 55.95 56.26 2dks s SER 123 Cb -0.15 -2.47 0.31 0.00 0.10 0.00 0.00 66.02 63.81 2dks s SER 123 CO 0.57 -1.57 1.37 -0.38 0.98 0.00 0.00 173.24 174.21 2dks n ILE 124 N 6.11 -0.41 -1.45 -1.02 5.41 -1.26 -4.49 119.36 122.24 2dks n ILE 124 Ca -0.01 2.04 -0.41 0.00 1.00 0.00 0.00 62.75 65.37 2dks n ILE 124 Cb 0.47 -2.76 0.01 0.00 -0.71 0.00 0.00 39.64 36.65 2dks n ILE 124 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2dks n SER 125 N -5.37 -0.93 0.00 4.38 7.64 -1.26 -3.92 113.62 114.16 2dks n SER 125 Ca 0.12 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.89 2dks n SER 125 Cb 0.40 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 2dks n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dks n GLY 126 N 1.80 1.71 0.00 0.23 0.00 -1.26 -4.71 105.19 102.95 2dks n GLY 126 Ca 0.11 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 45.40 2dks n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dks n PRO 127 N 0.00 0.39 -3.95 1.61 -0.04 -1.26 -4.72 135.00 127.03 2dks n PRO 127 Ca 0.00 0.05 -0.31 0.00 -0.04 0.00 0.00 63.50 63.21 2dks n PRO 127 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 2dks n PRO 127 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dks s SER 128 N -2.21 6.19 0.22 3.54 1.04 -1.25 -5.09 113.70 116.13 2dks s SER 128 Ca 0.20 0.21 -0.30 0.00 0.48 0.00 0.00 55.95 56.54 2dks s SER 128 Cb 0.10 -1.86 -0.08 0.00 0.10 0.00 0.00 66.02 64.28 2dks s SER 128 CO 0.20 0.17 0.93 -0.94 0.98 0.00 0.00 173.24 174.57 2dks s SER 129 N -2.52 7.60 0.00 7.02 1.04 -1.26 -4.96 113.70 120.62 2dks s SER 129 Ca 0.34 1.90 0.29 0.00 0.48 0.00 0.00 55.95 58.96 2dks s SER 129 Cb -0.13 -2.60 1.29 0.00 0.10 0.00 0.00 66.02 64.69 2dks s SER 129 CO 0.27 0.13 1.88 0.61 0.98 0.00 0.00 173.24 177.11