#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 -0.81 0.22 1.61 1.04 -1.26 -5.17 113.70 109.32 2dks s SER 2 Ca 0.00 0.70 0.02 0.00 0.48 0.00 0.00 55.95 57.15 2dks s SER 2 Cb 0.00 1.76 -0.04 0.00 0.10 0.00 0.00 66.02 67.84 2dks s SER 2 CO 0.00 -0.15 0.37 -0.44 0.98 0.00 0.00 173.24 174.00 2dks s SER 3 N 2.79 6.34 0.00 7.02 0.01 -1.26 -4.98 113.70 123.63 2dks s SER 3 Ca 0.04 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.54 2dks s SER 3 Cb -0.11 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.19 2dks s SER 3 CO -0.16 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2dks n GLY 4 N -1.00 -0.55 3.32 3.44 0.00 -1.26 -5.18 105.19 103.96 2dks n GLY 4 Ca -0.07 0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 2dks n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dks s SER 5 N 0.00 1.33 0.32 1.61 0.15 -1.26 -5.03 113.70 110.82 2dks s SER 5 Ca 0.00 -1.49 0.07 0.00 0.70 0.00 0.00 55.95 55.23 2dks s SER 5 Cb 0.00 0.31 0.89 0.00 -1.71 0.00 0.00 66.02 65.51 2dks s SER 5 CO 0.00 -0.83 1.59 0.28 1.20 0.00 0.00 173.24 175.48 2dks h SER 6 N 2.30 -0.16 -3.31 5.45 0.02 -2.03 -3.42 113.55 112.39 2dks h SER 6 Ca -0.35 0.25 -0.55 0.00 -0.84 0.00 0.00 61.79 60.30 2dks h SER 6 Cb 1.25 0.38 -0.13 0.00 0.14 0.00 0.00 62.40 64.03 2dks h SER 6 CO 0.55 -0.32 -0.51 -0.83 -1.14 0.00 0.00 176.83 174.57 2dks s GLY 7 N -4.27 2.59 -0.09 -3.77 0.00 -1.26 -5.02 107.32 95.50 2dks s GLY 7 Ca -0.12 -1.29 -0.00 0.00 0.00 0.00 0.00 44.72 43.32 2dks s GLY 7 CO 0.78 -1.81 1.80 -1.30 0.00 0.00 0.00 173.10 172.57 2dks n THR 8 N -0.89 2.02 -3.61 0.90 -2.24 -1.26 -4.76 114.28 104.43 2dks n THR 8 Ca -0.05 -0.71 -0.12 0.00 -2.27 0.00 0.00 64.05 60.90 2dks n THR 8 Cb 0.65 -1.33 -0.06 0.00 -2.10 0.00 0.00 70.33 67.48 2dks n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dks s ALA 9 N -0.52 -1.89 -0.22 6.98 0.00 -1.26 -5.15 121.76 119.70 2dks s ALA 9 Ca 0.09 1.78 -0.15 0.00 0.00 0.00 0.00 51.96 53.68 2dks s ALA 9 Cb 0.07 -1.03 0.07 0.00 0.00 0.00 0.00 23.12 22.23 2dks s ALA 9 CO 0.00 -0.29 0.56 1.14 0.00 0.00 0.00 175.76 177.17 2dks s GLN 10 N -0.20 0.59 -0.21 0.00 -2.07 -1.26 -4.91 119.66 111.59 2dks s GLN 10 Ca -0.01 0.96 -0.37 0.00 -1.82 0.00 0.00 55.36 54.13 2dks s GLN 10 Cb -0.03 0.13 -0.14 0.00 -1.09 0.00 0.00 33.01 31.88 2dks s GLN 10 CO -0.01 -0.14 1.85 -0.11 -1.32 0.00 0.00 175.29 175.56 2dks n LEU 11 N 3.91 2.84 -4.29 2.60 0.00 -1.25 -4.58 117.00 116.22 2dks n LEU 11 Ca -0.20 0.97 -0.15 0.00 0.00 0.00 0.00 56.01 56.63 2dks n LEU 11 Cb 0.57 -1.25 -0.10 0.00 0.00 0.00 0.00 43.42 42.64 2dks n LEU 11 CO 0.04 -0.29 -0.27 0.28 0.00 0.00 0.00 177.39 177.16 2dks s THR 12 N 4.13 0.53 -0.05 1.96 -1.32 -1.11 -4.73 115.64 115.05 2dks s THR 12 Ca 0.97 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 59.47 2dks s THR 12 Cb -0.89 -2.52 0.02 0.00 -1.51 0.00 0.00 72.50 67.60 2dks s THR 12 CO 0.58 -0.10 -0.06 -0.63 -2.21 0.00 0.00 174.62 172.21 2dks s ILE 13 N -3.77 0.63 -0.22 5.08 1.01 -1.26 -0.15 121.20 122.52 2dks s ILE 13 Ca 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.83 2dks s ILE 13 Cb 0.07 -0.64 0.02 0.00 0.01 0.00 0.00 42.46 41.92 2dks s ILE 13 CO 0.12 0.25 -0.11 -0.70 0.00 0.00 0.00 174.94 174.50 2dks s GLU 14 N 0.94 2.90 0.31 2.79 2.12 0.15 -4.78 118.70 123.12 2dks s GLU 14 Ca -0.11 -0.92 -0.29 0.00 0.36 0.00 0.00 54.97 54.01 2dks s GLU 14 Cb -0.14 -2.85 -0.10 0.00 0.26 0.00 0.00 34.13 31.29 2dks s GLU 14 CO 0.00 -0.33 1.36 0.00 -0.54 0.00 0.00 175.26 175.75 2dks s ALA 15 N 1.31 3.54 -0.20 6.30 0.00 -1.26 -1.61 121.76 129.84 2dks s ALA 15 Ca 0.01 1.30 -0.04 0.00 0.00 0.00 0.00 51.96 53.23 2dks s ALA 15 Cb -0.16 -3.51 0.08 0.00 0.00 0.00 0.00 23.12 19.53 2dks s ALA 15 CO -0.07 -0.70 0.13 0.08 0.00 0.00 0.00 175.76 175.20 2dks s VAL 16 N -0.83 -0.15 1.19 0.00 1.01 0.05 -3.16 120.40 118.51 2dks s VAL 16 Ca 0.52 -0.24 -0.20 0.00 0.00 0.00 0.00 61.98 62.06 2dks s VAL 16 Cb -0.41 -0.66 0.30 0.00 0.00 0.00 0.00 36.38 35.61 2dks s VAL 16 CO 0.51 -0.32 1.05 -0.81 0.00 0.00 0.00 175.10 175.53 2dks n PRO 17 N 5.29 -3.09 0.14 2.72 -0.04 -1.26 -0.06 135.00 138.70 2dks n PRO 17 Ca -0.06 -1.69 0.07 0.00 -0.04 0.00 0.00 63.50 61.78 2dks n PRO 17 Cb 0.48 -1.58 0.05 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.67 0.00 -1.86 3.54 0.87 -1.93 -3.44 113.55 108.05 2dks h SER 18 Ca -0.40 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 59.98 2dks h SER 18 Cb 1.21 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.88 2dks h SER 18 CO 0.26 0.24 -0.52 0.54 -0.53 0.00 0.00 176.83 176.83 2dks s ASN 19 N -6.05 0.44 0.57 6.23 4.22 -1.26 -3.54 114.94 115.55 2dks s ASN 19 Ca 0.03 -0.08 0.08 0.00 -2.14 0.00 0.00 52.86 50.74 2dks s ASN 19 Cb 0.07 1.04 0.07 0.00 1.28 0.00 0.00 41.25 43.72 2dks s ASN 19 CO 0.74 -0.33 0.62 0.00 -2.04 0.00 0.00 177.10 176.09 2dks s ALA 20 N 2.52 4.62 0.16 3.54 0.00 -0.98 -4.93 121.76 126.69 2dks s ALA 20 Ca 0.11 -1.70 0.11 0.00 0.00 0.00 0.00 51.96 50.48 2dks s ALA 20 Cb -0.14 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 2dks s ALA 20 CO -0.22 -0.70 -0.24 0.00 0.00 0.00 0.00 175.76 174.59 2dks s ALA 21 N -2.75 2.51 0.04 0.00 0.00 -1.26 -1.10 121.76 119.20 2dks s ALA 21 Ca 0.48 -1.55 -0.36 0.00 0.00 0.00 0.00 51.96 50.53 2dks s ALA 21 Cb -0.04 -0.39 -0.19 0.00 0.00 0.00 0.00 23.12 22.51 2dks s ALA 21 CO 0.30 0.48 0.91 0.39 0.00 0.00 0.00 175.76 177.85 2dks n GLU 22 N 0.53 0.00 0.00 0.00 1.02 -1.21 0.20 120.64 121.18 2dks n GLU 22 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 2dks n GLU 22 Cb 0.55 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 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 1.54 3.01 3.93 0.62 0.00 -0.38 -4.93 105.19 108.99 2dks n GLY 23 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.64 1.44 0.04 1.61 -0.14 0.13 -4.02 119.74 118.15 2dks s LYS 24 Ca 0.00 -0.37 0.08 0.00 -1.36 0.00 0.00 55.97 54.31 2dks s LYS 24 Cb 0.00 -2.02 -0.03 0.00 -1.68 0.00 0.00 37.83 34.10 2dks s LYS 24 CO 0.00 -1.82 -0.21 -1.21 -0.76 0.00 0.00 175.35 171.35 2dks s GLU 25 N -5.56 2.00 -0.10 1.68 8.01 -1.26 -0.11 118.70 123.36 2dks s GLU 25 Ca 0.67 -1.01 0.02 0.00 0.01 0.00 0.00 54.97 54.66 2dks s GLU 25 Cb -0.07 -2.12 0.01 0.00 -4.31 0.00 0.00 34.13 27.64 2dks s GLU 25 CO 0.49 0.53 -0.15 0.08 0.01 0.00 0.00 175.26 176.22 2dks s VAL 26 N -0.87 1.47 -0.41 2.63 1.01 0.24 -4.53 120.40 119.94 2dks s VAL 26 Ca 0.13 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 2dks s VAL 26 Cb -0.10 -1.33 0.06 0.00 0.00 0.00 0.00 36.38 35.00 2dks s VAL 26 CO 0.04 0.43 0.26 -0.22 0.00 0.00 0.00 175.10 175.61 2dks s LEU 27 N 0.86 5.03 -0.88 3.92 2.96 0.92 -0.07 118.68 131.42 2dks s LEU 27 Ca -0.09 -1.26 -0.23 0.00 -0.22 0.00 0.00 54.13 52.33 2dks s LEU 27 Cb -0.15 -2.03 0.06 0.00 0.50 0.00 0.00 46.19 44.57 2dks s LEU 27 CO 0.01 -0.49 1.28 -0.76 -1.32 0.00 0.00 176.35 175.07 2dks s LEU 28 N 1.51 3.82 0.65 -0.68 1.43 -0.83 -0.77 118.68 123.81 2dks s LEU 28 Ca 0.03 -1.24 -0.14 0.00 -1.03 0.00 0.00 54.13 51.75 2dks s LEU 28 Cb -0.21 -2.52 -0.01 0.00 0.03 0.00 0.00 46.19 43.48 2dks s LEU 28 CO 0.05 -1.50 1.07 -0.76 0.23 0.00 0.00 176.35 175.44 2dks s LEU 29 N 4.63 3.34 -0.05 1.79 1.43 -0.63 -3.05 118.68 126.13 2dks s LEU 29 Ca 0.37 1.82 0.04 0.00 -1.03 0.00 0.00 54.13 55.33 2dks s LEU 29 Cb -0.05 -4.53 -0.00 0.00 0.03 0.00 0.00 46.19 41.64 2dks s LEU 29 CO -0.01 -1.44 -0.17 -0.69 0.23 0.00 0.00 176.35 174.27 2dks s VAL 30 N -2.61 1.45 0.51 -1.59 1.01 -1.26 -0.68 120.40 117.23 2dks s VAL 30 Ca 0.63 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.92 2dks s VAL 30 Cb -0.17 -1.25 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 2dks s VAL 30 CO 0.44 0.42 0.16 -1.00 0.00 0.00 0.00 175.10 175.12 2dks s HIS 31 N 0.10 1.89 -0.69 5.22 0.09 0.79 -4.67 115.29 118.02 2dks s HIS 31 Ca -0.05 -0.86 -0.02 0.00 -0.00 0.00 0.00 55.06 54.12 2dks s HIS 31 Cb -0.12 -1.76 0.01 0.00 -0.00 0.00 0.00 32.58 30.71 2dks s HIS 31 CO 0.03 -0.01 0.07 0.09 -0.00 0.00 0.00 174.74 174.92 2dks n ASN 32 N -1.42 -2.68 -4.65 1.40 3.02 -1.26 -2.76 115.26 106.90 2dks n ASN 32 Ca -0.11 0.21 -0.31 0.00 -0.03 0.00 0.00 54.58 54.35 2dks n ASN 32 Cb 0.66 -2.33 0.18 0.00 -0.61 0.00 0.00 39.78 37.68 2dks n ASN 32 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dks s LEU 33 N -5.52 2.59 0.86 3.41 1.43 -1.26 -3.92 118.68 116.27 2dks s LEU 33 Ca 0.07 2.12 -0.11 0.00 -1.03 0.00 0.00 54.13 55.17 2dks s LEU 33 Cb -0.04 -4.43 0.11 0.00 0.03 0.00 0.00 46.19 41.86 2dks s LEU 33 CO 0.08 -3.26 1.09 -2.16 0.23 0.00 0.00 176.35 172.33 2dks s PRO 34 N -4.62 1.57 -0.02 1.29 0.04 -1.26 -4.99 135.00 127.01 2dks s PRO 34 Ca 0.67 0.93 -0.26 0.00 0.04 0.00 0.00 61.00 62.38 2dks s PRO 34 Cb -0.23 -1.84 -0.20 0.00 0.04 0.00 0.00 34.50 32.27 2dks s PRO 34 CO 0.59 -2.05 1.28 -0.56 0.04 0.00 0.00 177.00 176.30 2dks h GLN 35 N -1.42 -0.01 -3.19 4.56 3.07 -2.00 -3.40 115.11 112.73 2dks h GLN 35 Ca -0.48 0.00 -0.62 0.00 0.09 0.00 0.00 58.65 57.65 2dks h GLN 35 Cb 1.27 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.43 2dks h GLN 35 CO 0.54 0.46 -0.72 -0.51 0.09 0.00 0.00 178.83 178.69 2dks s ASP 36 N -5.67 3.86 0.33 0.06 1.01 -1.26 -5.11 116.67 109.90 2dks s ASP 36 Ca -0.16 -2.60 -0.28 0.00 0.71 0.00 0.00 52.55 50.22 2dks s ASP 36 Cb 0.02 -1.17 -0.10 0.00 1.01 0.00 0.00 42.92 42.68 2dks s ASP 36 CO 0.67 -0.28 1.22 -2.16 0.21 0.00 0.00 175.17 174.83 2dks s PRO 37 N 0.35 4.36 -0.19 8.23 0.04 -1.26 -3.02 135.00 143.52 2dks s PRO 37 Ca 0.17 2.02 0.12 0.00 0.04 0.00 0.00 61.00 63.34 2dks s PRO 37 Cb -0.24 -3.01 -0.20 0.00 0.04 0.00 0.00 34.50 31.08 2dks s PRO 37 CO -0.02 -0.11 -0.01 -2.13 0.04 0.00 0.00 177.00 174.77 2dks n ARG 38 N 0.74 0.93 0.00 4.56 0.63 0.89 -4.78 116.66 119.63 2dks n ARG 38 Ca 0.01 0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 2dks n ARG 38 Cb 0.44 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 31.89 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 2.04 1.21 3.81 5.14 0.00 -1.23 -2.70 105.19 113.46 2dks n GLY 39 Ca -0.33 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.62 3.29 -0.14 1.61 2.02 -0.02 -1.23 117.35 121.26 2dks s TYR 40 Ca 0.00 0.15 -0.04 0.00 -0.37 0.00 0.00 57.07 56.81 2dks s TYR 40 Cb 0.00 -1.68 0.06 0.00 -0.40 0.00 0.00 41.96 39.94 2dks s TYR 40 CO 0.00 0.54 0.13 -0.80 -1.57 0.00 0.00 175.55 173.86 2dks s ASN 41 N -2.27 1.61 -0.11 2.29 0.02 0.30 -0.87 114.94 115.91 2dks s ASN 41 Ca 0.29 -0.22 -0.07 0.00 -1.02 0.00 0.00 52.86 51.84 2dks s ASN 41 Cb -0.12 0.03 -0.04 0.00 0.02 0.00 0.00 41.25 41.13 2dks s ASN 41 CO 0.21 -0.31 0.14 0.26 0.02 0.00 0.00 177.10 177.43 2dks s TRP 42 N 2.22 3.60 0.23 2.20 0.52 -0.88 -0.10 118.94 126.73 2dks s TRP 42 Ca 0.04 0.52 0.03 0.00 0.02 0.00 0.00 56.10 56.70 2dks s TRP 42 Cb -0.15 -1.93 -0.05 0.00 -1.15 0.00 0.00 33.47 30.19 2dks s TRP 42 CO -0.08 0.73 0.02 0.71 0.02 0.00 0.00 176.95 178.35 2dks s TYR 43 N -1.06 1.52 -0.44 -1.98 1.51 0.10 -0.55 117.35 116.46 2dks s TYR 43 Ca 0.16 -1.00 -0.08 0.00 -1.01 0.00 0.00 57.07 55.14 2dks s TYR 43 Cb -0.12 -0.89 0.10 0.00 -0.11 0.00 0.00 41.96 40.93 2dks s TYR 43 CO 0.05 -0.13 0.28 0.21 -1.11 0.00 0.00 175.55 174.85 2dks s LYS 44 N -3.91 2.48 0.00 -0.62 2.20 0.14 -2.64 119.74 117.38 2dks s LYS 44 Ca 0.30 -1.62 0.00 0.00 -0.36 0.00 0.00 55.97 54.29 2dks s LYS 44 Cb 0.06 -3.80 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 2dks s LYS 44 CO 0.09 -1.06 0.00 0.41 -0.36 0.00 0.00 175.35 174.44 2dks n GLY 45 N 4.87 0.38 1.56 5.54 0.00 0.11 -4.79 105.19 112.86 2dks n GLY 45 Ca -0.08 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 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 2.88 -3.76 1.61 -0.58 -1.26 -2.58 120.64 116.94 2dks n GLU 46 Ca 0.00 -3.85 -0.13 0.00 -0.42 0.00 0.00 57.16 52.76 2dks n GLU 46 Cb 0.00 -2.03 -0.10 0.00 -0.57 0.00 0.00 31.44 28.74 2dks n GLU 46 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2dks s THR 47 N -4.09 0.01 -1.19 2.62 -4.23 -1.26 -5.05 115.64 102.45 2dks s THR 47 Ca 0.46 -0.09 -0.04 0.00 -1.18 0.00 0.00 61.69 60.84 2dks s THR 47 Cb 0.39 -0.51 0.21 0.00 1.34 0.00 0.00 72.50 73.94 2dks s THR 47 CO 0.00 -0.05 2.11 0.52 -0.54 0.00 0.00 174.62 176.66 2dks n VAL 48 N 2.59 5.59 -4.14 2.29 0.31 -1.26 -4.69 118.33 119.02 2dks n VAL 48 Ca -0.15 -5.07 -0.35 0.00 -0.01 0.00 0.00 64.34 58.76 2dks n VAL 48 Cb 0.57 -1.87 -0.08 0.00 -0.91 0.00 0.00 33.84 31.56 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 -0.39 5.75 0.34 4.52 2.15 -1.26 -5.00 116.67 122.78 2dks s ASP 49 Ca 0.47 0.26 0.11 0.00 0.43 0.00 0.00 52.55 53.82 2dks s ASP 49 Cb 0.18 -1.72 0.90 0.00 -0.30 0.00 0.00 42.92 41.98 2dks s ASP 49 CO -0.10 0.37 1.76 0.00 -0.17 0.00 0.00 175.17 177.03 2dks h ALA 50 N 4.87 1.88 -0.95 3.66 0.00 -1.96 0.18 119.26 126.94 2dks h ALA 50 Ca -0.52 0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.54 2dks h ALA 50 Cb 1.20 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 2dks h ALA 50 CO 0.57 -0.30 0.61 -0.91 0.00 0.00 0.00 179.25 179.22 2dks h ASN 51 N 0.58 0.98 -0.74 0.00 2.35 -1.98 -0.88 115.58 115.90 2dks h ASN 51 Ca 0.61 0.01 -0.28 0.00 -0.55 0.00 0.00 56.30 56.08 2dks h ASN 51 Cb 1.19 -0.20 -0.17 0.00 0.05 0.00 0.00 38.32 39.19 2dks h ASN 51 CO -0.39 0.64 0.36 0.54 -1.65 0.00 0.00 177.43 176.93 2dks n ARG 52 N -4.53 3.00 -2.91 0.81 5.12 0.57 -4.56 116.66 114.16 2dks n ARG 52 Ca 0.14 -2.70 -0.43 0.00 -1.93 0.00 0.00 57.85 52.93 2dks n ARG 52 Cb 0.16 -2.09 -0.05 0.00 -1.16 0.00 0.00 32.46 29.32 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 -2.77 3.33 0.00 5.56 3.52 -0.34 0.24 118.95 128.50 2dks s ARG 53 Ca 0.49 -0.28 -0.24 0.00 -0.13 0.00 0.00 55.73 55.57 2dks s ARG 53 Cb 0.40 -4.02 -0.15 0.00 -1.56 0.00 0.00 34.95 29.62 2dks s ARG 53 CO 0.11 -1.34 1.10 0.82 -0.81 0.00 0.00 175.30 175.18 2dks h ILE 54 N 5.99 0.38 -1.72 4.11 2.04 -1.07 -3.29 117.51 123.96 2dks h ILE 54 Ca -0.26 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.12 2dks h ILE 54 Cb 1.08 0.56 -0.25 0.00 -0.74 0.00 0.00 36.82 37.47 2dks h ILE 54 CO 1.04 0.07 0.34 -0.51 0.00 0.00 0.00 178.15 179.09 2dks s ILE 55 N -4.44 0.00 -0.07 -0.67 2.07 -1.17 -1.47 121.20 115.45 2dks s ILE 55 Ca -0.13 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.16 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 0.46 0.00 -0.24 -0.83 -1.91 0.00 0.00 174.94 172.42 2dks s GLY 56 N 0.43 1.29 0.04 1.50 0.00 -0.94 -2.08 107.32 107.56 2dks s GLY 56 Ca 0.01 -1.02 0.08 0.00 0.00 0.00 0.00 44.72 43.79 2dks s GLY 56 CO -0.06 -0.56 -0.24 -0.47 0.00 0.00 0.00 173.10 171.78 2dks s TYR 57 N -0.03 2.09 -0.24 1.90 5.04 -0.05 -0.81 117.35 125.26 2dks s TYR 57 Ca -0.07 -0.40 0.01 0.00 -2.44 0.00 0.00 57.07 54.17 2dks s TYR 57 Cb -0.15 -1.26 0.06 0.00 0.35 0.00 0.00 41.96 40.96 2dks s TYR 57 CO 0.05 0.09 -0.07 0.08 -1.34 0.00 0.00 175.55 174.37 2dks s VAL 58 N -0.77 1.71 0.24 3.14 1.01 -0.34 -0.84 120.40 124.55 2dks s VAL 58 Ca 0.10 -1.34 -0.06 0.00 0.00 0.00 0.00 61.98 60.68 2dks s VAL 58 Cb -0.09 -1.93 0.23 0.00 0.00 0.00 0.00 36.38 34.58 2dks s VAL 58 CO 0.02 -0.09 1.88 0.40 0.00 0.00 0.00 175.10 177.31 2dks h ILE 59 N 6.70 1.14 -0.62 2.22 2.04 -1.85 1.82 117.51 128.96 2dks h ILE 59 Ca -0.18 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.35 2dks h ILE 59 Cb 1.06 -0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 2dks h ILE 59 CO 0.43 0.21 -0.37 -0.24 0.00 0.00 0.00 178.15 178.18 2dks n SER 60 N -4.52 -0.66 -0.63 1.72 2.88 -1.25 -2.38 113.62 108.79 2dks n SER 60 Ca 0.12 1.25 0.06 0.00 -1.33 0.00 0.00 58.87 58.97 2dks n SER 60 Cb 0.11 -0.21 0.11 0.00 -0.75 0.00 0.00 64.21 63.47 2dks n SER 60 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2dks n ASN 61 N -4.54 1.45 -3.97 -3.46 6.94 -1.16 -5.00 115.26 105.51 2dks n ASN 61 Ca 0.01 -2.96 -0.33 0.00 -0.02 0.00 0.00 54.58 51.29 2dks n ASN 61 Cb 0.16 -0.40 -0.01 0.00 -2.36 0.00 0.00 39.78 37.18 2dks n ASN 61 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2dks n GLN 62 N -0.68 -1.67 -3.33 -3.83 6.02 0.61 -4.91 117.38 109.60 2dks n GLN 62 Ca 0.12 0.29 -0.40 0.00 -0.01 0.00 0.00 57.00 57.00 2dks n GLN 62 Cb 0.78 -3.81 -0.09 0.00 1.02 0.00 0.00 30.24 28.14 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 -6.74 3.74 -0.15 -1.09 0.74 -0.48 -4.82 119.66 110.85 2dks s GLN 63 Ca 0.24 -0.16 -0.07 0.00 0.05 0.00 0.00 55.36 55.42 2dks s GLN 63 Cb -0.11 -3.76 -0.04 0.00 1.10 0.00 0.00 33.01 30.21 2dks s GLN 63 CO 0.92 -0.49 0.09 0.42 -0.55 0.00 0.00 175.29 175.68 2dks s ILE 64 N 2.18 5.05 -0.34 -2.34 -1.09 -1.26 -1.20 121.20 122.20 2dks s ILE 64 Ca 0.16 0.05 -0.01 0.00 -2.23 0.00 0.00 60.65 58.62 2dks s ILE 64 Cb -0.16 -3.23 0.11 0.00 -1.58 0.00 0.00 42.46 37.60 2dks s ILE 64 CO 0.12 0.53 0.15 -0.89 -1.23 0.00 0.00 174.94 173.62 2dks s THR 65 N -0.29 0.72 0.04 2.92 2.01 0.01 -5.00 115.64 116.06 2dks s THR 65 Ca 0.09 -1.59 -0.31 0.00 0.31 0.00 0.00 61.69 60.20 2dks s THR 65 Cb -0.12 -1.54 -0.06 0.00 0.01 0.00 0.00 72.50 70.79 2dks s THR 65 CO 0.01 -0.78 1.41 -2.16 -0.69 0.00 0.00 174.62 172.42 2dks s PRO 66 N 1.34 4.29 0.07 4.92 0.04 -1.26 -2.22 135.00 142.19 2dks s PRO 66 Ca 0.13 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2dks s PRO 66 Cb -0.19 -3.47 0.01 0.00 0.04 0.00 0.00 34.50 30.89 2dks s PRO 66 CO -0.18 -0.54 0.10 0.41 0.04 0.00 0.00 177.00 176.84 2dks n GLY 67 N 3.62 0.96 0.16 0.56 0.00 -0.54 -4.99 105.19 104.97 2dks n GLY 67 Ca 0.13 -1.99 0.01 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.17 1.61 0.13 -1.82 -3.02 132.00 127.73 2dks h PRO 68 Ca -0.03 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.99 2dks h PRO 68 Cb 0.13 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.20 2dks h PRO 68 CO 0.04 0.49 0.14 0.00 -0.23 0.00 0.00 178.00 178.44 2dks n ALA 69 N -2.45 3.42 -2.54 -0.56 0.00 -1.25 -4.82 120.51 112.32 2dks n ALA 69 Ca -0.02 -0.61 -0.29 0.00 0.00 0.00 0.00 53.44 52.53 2dks n ALA 69 Cb 0.51 -1.10 -0.16 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.68 2.08 -0.10 0.00 5.04 -1.14 -4.58 117.35 117.96 2dks s TYR 70 Ca 0.12 -0.48 0.15 0.00 -2.44 0.00 0.00 57.07 54.42 2dks s TYR 70 Cb 0.10 -1.35 0.33 0.00 0.35 0.00 0.00 41.96 41.38 2dks s TYR 70 CO 0.02 -0.10 1.16 0.43 -1.34 0.00 0.00 175.55 175.72 2dks n SER 71 N 2.71 1.34 -3.56 4.32 7.64 -1.26 -4.97 113.62 119.85 2dks n SER 71 Ca -0.16 -2.87 -0.22 0.00 1.01 0.00 0.00 58.87 56.62 2dks n SER 71 Cb 0.52 -0.39 0.08 0.00 -1.01 0.00 0.00 64.21 63.41 2dks n SER 71 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2dks n ASN 72 N -0.52 -4.74 0.00 6.43 4.13 -1.26 -4.88 115.26 114.43 2dks n ASN 72 Ca 0.11 -0.58 0.00 0.00 1.68 0.00 0.00 54.58 55.79 2dks n ASN 72 Cb 0.82 -5.01 0.00 0.00 -1.54 0.00 0.00 39.78 34.05 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 -4.69 0.38 -2.80 3.52 1.74 -1.26 -5.07 116.66 108.47 2dks n ARG 73 Ca -0.10 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.61 2dks n ARG 73 Cb 0.60 -0.75 -0.06 0.00 -1.02 0.00 0.00 32.46 31.22 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 -1.51 4.59 -0.07 5.56 8.01 -1.26 -3.51 118.70 130.51 2dks s GLU 74 Ca 0.00 1.31 -0.01 0.00 0.01 0.00 0.00 54.97 56.28 2dks s GLU 74 Cb 0.00 -2.86 0.03 0.00 -4.31 0.00 0.00 34.13 26.98 2dks s GLU 74 CO 0.00 0.32 -0.00 0.99 0.01 0.00 0.00 175.26 176.58 2dks s THR 75 N -1.56 0.39 1.16 3.63 2.01 -0.94 -4.96 115.64 115.38 2dks s THR 75 Ca 0.48 0.10 -0.16 0.00 0.31 0.00 0.00 61.69 62.42 2dks s THR 75 Cb -0.19 -0.54 0.27 0.00 0.01 0.00 0.00 72.50 72.05 2dks s THR 75 CO 0.24 0.26 1.06 -0.63 -0.69 0.00 0.00 174.62 174.86 2dks s ILE 76 N 1.86 1.76 0.06 1.82 1.09 -1.26 -0.97 121.20 125.56 2dks s ILE 76 Ca 0.03 0.00 -0.02 0.00 -1.10 0.00 0.00 60.65 59.56 2dks s ILE 76 Cb -0.12 -2.34 -0.04 0.00 -1.06 0.00 0.00 42.46 38.90 2dks s ILE 76 CO -0.05 0.00 0.00 -0.31 -0.10 0.00 0.00 174.94 174.48 2dks s TYR 77 N -2.78 0.52 -2.00 3.97 1.51 0.89 -4.79 117.35 114.67 2dks s TYR 77 Ca 0.68 -1.04 0.12 0.00 -1.01 0.00 0.00 57.07 55.83 2dks s TYR 77 Cb -0.16 -0.36 0.73 0.00 -0.11 0.00 0.00 41.96 42.06 2dks s TYR 77 CO 0.59 -0.41 1.16 -0.35 -1.11 0.00 0.00 175.55 175.43 2dks n PRO 78 N 0.07 0.49 -0.08 -1.71 -0.04 -1.26 -1.98 135.00 130.49 2dks n PRO 78 Ca -0.13 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.42 2dks n PRO 78 Cb 0.61 -1.40 0.13 0.00 -0.04 0.00 0.00 33.50 32.81 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 2.25 -1.03 3.54 3.02 -1.26 -4.95 115.26 115.94 2dks n ASN 79 Ca 0.09 -2.98 -0.11 0.00 -0.03 0.00 0.00 54.58 51.56 2dks n ASN 79 Cb 0.04 -0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 38.80 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 -1.33 -0.24 -2.87 5.41 0.00 -0.84 -4.41 120.51 116.23 2dks n ALA 80 Ca 0.14 0.12 -0.24 0.00 0.00 0.00 0.00 53.44 53.46 2dks n ALA 80 Cb 0.62 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 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 -2.68 5.85 -0.11 0.00 0.01 -1.25 -4.73 113.70 110.78 2dks s SER 81 Ca 0.00 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.21 2dks s SER 81 Cb 0.00 -1.61 0.02 0.00 0.21 0.00 0.00 66.02 64.64 2dks s SER 81 CO 0.00 0.02 -0.09 -0.22 0.41 0.00 0.00 173.24 173.36 2dks s LEU 82 N -3.43 1.29 -0.43 2.44 2.96 -1.17 -0.07 118.68 120.27 2dks s LEU 82 Ca 0.33 -0.31 -0.19 0.00 -0.22 0.00 0.00 54.13 53.74 2dks s LEU 82 Cb -0.10 -0.86 0.02 0.00 0.50 0.00 0.00 46.19 45.76 2dks s LEU 82 CO 0.26 -0.09 0.51 -0.22 -1.32 0.00 0.00 176.35 175.49 2dks s LEU 83 N 1.52 4.74 -0.28 -0.68 2.96 -0.15 -1.97 118.68 124.82 2dks s LEU 83 Ca 0.02 -0.57 -0.22 0.00 -0.22 0.00 0.00 54.13 53.14 2dks s LEU 83 Cb -0.13 -2.51 -0.01 0.00 0.50 0.00 0.00 46.19 44.04 2dks s LEU 83 CO -0.06 -0.66 0.73 -0.32 -1.32 0.00 0.00 176.35 174.71 2dks s MET 84 N 2.39 4.04 0.06 1.98 -2.45 0.90 -2.21 119.30 124.00 2dks s MET 84 Ca 0.16 0.60 -0.03 0.00 -1.25 0.00 0.00 55.69 55.17 2dks s MET 84 Cb -0.16 -3.69 -0.05 0.00 1.25 0.00 0.00 34.83 32.18 2dks s MET 84 CO 0.15 -0.56 0.26 1.03 1.05 0.00 0.00 175.02 176.96 2dks s ARG 85 N 2.75 3.52 -1.33 4.11 1.81 -1.23 -0.59 118.95 127.99 2dks s ARG 85 Ca 0.30 -0.25 -0.06 0.00 -1.72 0.00 0.00 55.73 54.00 2dks s ARG 85 Cb -0.15 -3.01 -0.00 0.00 -0.45 0.00 0.00 34.95 31.34 2dks s ARG 85 CO 0.10 0.59 0.53 0.09 -0.68 0.00 0.00 175.30 175.93 2dks n ASN 86 N 0.51 -1.64 -4.40 0.23 3.02 -1.04 -4.87 115.26 107.08 2dks n ASN 86 Ca -0.07 -1.01 -0.33 0.00 -0.03 0.00 0.00 54.58 53.15 2dks n ASN 86 Cb 0.52 -3.16 0.12 0.00 -0.61 0.00 0.00 39.78 36.65 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 -4.36 0.00 -3.83 2.41 0.24 0.84 -4.43 118.33 109.20 2dks n VAL 87 Ca -0.25 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.34 61.72 2dks n VAL 87 Cb 0.66 -0.61 -0.10 0.00 -1.47 0.00 0.00 33.84 32.33 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 -2.38 0.07 0.53 3.34 -4.23 -1.26 -1.24 115.64 110.47 2dks s THR 88 Ca 0.56 -0.59 0.41 0.00 -1.18 0.00 0.00 61.69 60.88 2dks s THR 88 Cb -0.20 -0.48 0.61 0.00 1.34 0.00 0.00 72.50 73.77 2dks s THR 88 CO 0.68 -0.33 1.69 0.08 -0.54 0.00 0.00 174.62 176.20 2dks h ARG 89 N 4.22 0.03 -0.11 3.99 0.11 -1.96 0.43 114.38 121.09 2dks h ARG 89 Ca -0.30 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.77 2dks h ARG 89 Cb 1.19 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 32.26 2dks h ARG 89 CO 0.40 0.02 0.03 -0.97 0.10 0.00 0.00 179.97 179.55 2dks h ASN 90 N 0.03 0.16 -0.95 0.08 -1.24 -1.95 -2.96 115.58 108.76 2dks h ASN 90 Ca 0.74 -0.22 0.29 0.00 0.71 0.00 0.00 56.30 57.82 2dks h ASN 90 Cb 2.85 -0.04 -0.16 0.00 0.73 0.00 0.00 38.32 41.70 2dks h ASN 90 CO -0.07 0.34 0.29 0.44 -1.29 0.00 0.00 177.43 177.14 2dks h ASP 91 N -0.02 0.02 -0.50 1.15 3.32 -0.53 -3.40 116.42 116.46 2dks h ASP 91 Ca 0.03 0.23 -0.80 0.00 0.02 0.00 0.00 57.03 56.51 2dks h ASP 91 Cb 0.24 0.30 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2dks h ASP 91 CO -0.00 -0.25 1.09 0.41 -1.72 0.00 0.00 179.24 178.77 2dks n THR 92 N -5.27 0.03 0.00 0.35 -1.04 -1.12 -4.52 114.28 102.71 2dks n THR 92 Ca 0.26 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 2dks n THR 92 Cb 0.85 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.75 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 6.06 -0.21 3.01 3.41 0.00 -1.26 -5.06 105.19 111.15 2dks n GLY 93 Ca 0.44 0.47 -0.15 0.00 0.00 0.00 0.00 46.02 46.79 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 0.76 -0.23 1.61 0.01 -1.26 -4.60 113.70 106.00 2dks s SER 94 Ca 0.00 -0.28 -0.04 0.00 1.31 0.00 0.00 55.95 56.94 2dks s SER 94 Cb 0.00 -0.03 0.09 0.00 0.21 0.00 0.00 66.02 66.28 2dks s SER 94 CO 0.00 -0.04 0.15 -0.31 0.41 0.00 0.00 173.24 173.45 2dks s TYR 95 N -0.63 0.08 0.13 2.43 1.51 -1.20 0.09 117.35 119.76 2dks s TYR 95 Ca -0.03 -0.38 -0.23 0.00 -1.01 0.00 0.00 57.07 55.42 2dks s TYR 95 Cb -0.05 -0.67 -0.07 0.00 -0.11 0.00 0.00 41.96 41.05 2dks s TYR 95 CO 0.00 -0.67 0.71 0.99 -1.11 0.00 0.00 175.55 175.47 2dks s THR 96 N 2.18 4.51 -0.18 -0.71 2.01 -1.07 -0.64 115.64 121.75 2dks s THR 96 Ca 0.06 1.54 -0.00 0.00 0.31 0.00 0.00 61.69 63.60 2dks s THR 96 Cb -0.16 -4.06 0.05 0.00 0.01 0.00 0.00 72.50 68.34 2dks s THR 96 CO -0.21 0.52 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.97 2dks s LEU 97 N -1.06 1.78 -0.13 4.42 1.98 -0.14 0.01 118.68 125.55 2dks s LEU 97 Ca 0.34 -0.77 -0.09 0.00 -2.89 0.00 0.00 54.13 50.73 2dks s LEU 97 Cb -0.22 -0.96 -0.04 0.00 0.66 0.00 0.00 46.19 45.63 2dks s LEU 97 CO 0.24 -0.20 0.17 -1.58 -1.89 0.00 0.00 176.35 173.09 2dks s GLN 98 N 1.59 3.66 -0.14 1.98 0.74 0.86 -2.53 119.66 125.82 2dks s GLN 98 Ca -0.00 -0.09 0.01 0.00 0.05 0.00 0.00 55.36 55.33 2dks s GLN 98 Cb -0.16 -3.25 0.02 0.00 1.10 0.00 0.00 33.01 30.72 2dks s GLN 98 CO -0.08 0.66 -0.17 0.08 -0.55 0.00 0.00 175.29 175.23 2dks s VAL 99 N -0.71 1.75 0.32 1.34 1.01 -1.14 -0.54 120.40 122.43 2dks s VAL 99 Ca 0.15 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 2dks s VAL 99 Cb -0.12 -1.60 -0.06 0.00 0.00 0.00 0.00 36.38 34.60 2dks s VAL 99 CO 0.04 0.49 0.63 -0.63 0.00 0.00 0.00 175.10 175.62 2dks s ILE 100 N 1.21 4.93 0.26 2.22 1.09 -0.37 -0.24 121.20 130.30 2dks s ILE 100 Ca 0.00 0.28 0.11 0.00 -1.10 0.00 0.00 60.65 59.94 2dks s ILE 100 Cb -0.14 -3.72 -0.05 0.00 -1.06 0.00 0.00 42.46 37.49 2dks s ILE 100 CO -0.07 -0.37 -0.16 -0.54 -0.10 0.00 0.00 174.94 173.70 2dks s LYS 101 N -3.60 1.81 0.43 2.79 1.02 0.36 -0.08 119.74 122.47 2dks s LYS 101 Ca 0.47 -1.62 0.30 0.00 0.02 0.00 0.00 55.97 55.13 2dks s LYS 101 Cb -0.11 -1.89 1.43 0.00 -0.52 0.00 0.00 37.83 36.74 2dks s LYS 101 CO 0.30 0.36 1.90 -0.07 -0.92 0.00 0.00 175.35 176.91 2dks h LEU 102 N 2.38 0.00 -1.84 3.17 -0.00 -1.84 -1.61 115.31 115.57 2dks h LEU 102 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.46 2dks h LEU 102 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 2dks h LEU 102 CO 0.58 0.00 0.00 -0.46 -0.00 0.00 0.00 178.44 178.56 2dks n ASN 103 N -2.61 2.64 -2.81 -0.43 0.23 -1.26 -4.87 115.26 106.15 2dks n ASN 103 Ca -0.00 -2.30 -0.13 0.00 -0.53 0.00 0.00 54.58 51.62 2dks n ASN 103 Cb 0.16 -0.51 0.07 0.00 -2.08 0.00 0.00 39.78 37.42 2dks n ASN 103 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2dks n LEU 104 N 0.27 -3.65 -4.42 -4.53 4.77 -0.61 -5.04 117.00 103.78 2dks n LEU 104 Ca 0.11 -0.47 -0.21 0.00 -0.03 0.00 0.00 56.01 55.41 2dks n LEU 104 Cb 0.56 -2.47 -0.10 0.00 -2.33 0.00 0.00 43.42 39.08 2dks n LEU 104 CO 0.12 0.26 -0.23 -0.04 -1.33 0.00 0.00 177.39 176.17 2dks s MET 105 N -4.91 1.67 -0.05 3.23 -1.94 -1.21 -4.94 119.30 111.16 2dks s MET 105 Ca 0.04 -1.96 -0.16 0.00 -1.71 0.00 0.00 55.69 51.90 2dks s MET 105 Cb -0.00 -0.51 0.03 0.00 2.01 0.00 0.00 34.83 36.35 2dks s MET 105 CO 0.55 -0.35 0.37 -1.54 -0.01 0.00 0.00 175.02 174.04 2dks s SER 106 N -3.46 -0.29 0.45 3.03 1.04 -1.26 -0.49 113.70 112.73 2dks s SER 106 Ca 0.33 0.31 0.05 0.00 0.48 0.00 0.00 55.95 57.11 2dks s SER 106 Cb 0.06 0.44 -0.05 0.00 0.10 0.00 0.00 66.02 66.57 2dks s SER 106 CO 0.15 -0.40 0.02 -1.61 0.98 0.00 0.00 173.24 172.38 2dks s GLU 107 N -0.98 2.07 -0.00 4.02 0.41 0.67 -4.92 118.70 119.97 2dks s GLU 107 Ca -0.10 -2.22 0.00 0.00 -0.41 0.00 0.00 54.97 52.24 2dks s GLU 107 Cb -0.04 -1.61 0.00 0.00 -1.78 0.00 0.00 34.13 30.70 2dks s GLU 107 CO 0.04 -0.18 -0.00 -1.21 -0.49 0.00 0.00 175.26 173.41 2dks s GLU 108 N -3.79 0.03 -0.29 1.61 8.01 -1.26 -2.90 118.70 120.11 2dks s GLU 108 Ca 0.23 -0.01 -0.09 0.00 0.01 0.00 0.00 54.97 55.12 2dks s GLU 108 Cb 0.06 -0.04 0.14 0.00 -4.31 0.00 0.00 34.13 29.98 2dks s GLU 108 CO 0.12 0.00 0.63 0.54 0.01 0.00 0.00 175.26 176.56 2dks s VAL 109 N 0.03 -0.97 -0.64 2.63 0.11 -1.05 -4.89 120.40 115.62 2dks s VAL 109 Ca -0.00 0.01 -0.23 0.00 -2.93 0.00 0.00 61.98 58.82 2dks s VAL 109 Cb -0.01 -0.98 0.06 0.00 -1.53 0.00 0.00 36.38 33.93 2dks s VAL 109 CO -0.00 0.00 0.99 -0.89 -3.33 0.00 0.00 175.10 171.87 2dks s THR 110 N 2.87 4.28 -0.36 5.04 2.01 -1.26 -0.96 115.64 127.27 2dks s THR 110 Ca -0.02 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 61.88 2dks s THR 110 Cb -0.12 -4.66 0.09 0.00 0.01 0.00 0.00 72.50 67.82 2dks s THR 110 CO -0.19 -1.40 0.09 -0.83 -0.69 0.00 0.00 174.62 171.61 2dks s GLY 111 N 3.44 1.91 0.47 4.40 0.00 0.19 -4.77 107.32 112.97 2dks s GLY 111 Ca 0.26 -2.38 0.01 0.00 0.00 0.00 0.00 44.72 42.61 2dks s GLY 111 CO 0.13 0.92 0.03 0.61 0.00 0.00 0.00 173.10 174.78 2dks n GLN 112 N 4.45 0.77 -3.99 2.90 10.64 -1.26 -4.17 117.38 126.71 2dks n GLN 112 Ca -0.02 -3.54 -0.15 0.00 -1.83 0.00 0.00 57.00 51.46 2dks n GLN 112 Cb 0.42 1.11 -0.03 0.00 -0.86 0.00 0.00 30.24 30.88 2dks n GLN 112 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20 2dks n PHE 113 N -1.17 -1.48 -4.52 2.61 -1.74 -1.26 -4.56 117.46 105.34 2dks n PHE 113 Ca -0.18 -2.36 -0.26 0.00 -0.56 0.00 0.00 57.45 54.09 2dks n PHE 113 Cb 0.62 0.57 -0.13 0.00 1.52 0.00 0.00 39.48 42.05 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 -3.18 2.76 -0.07 5.98 0.01 -1.23 -4.00 113.70 113.97 2dks s SER 114 Ca 0.29 -0.63 0.02 0.00 1.31 0.00 0.00 55.95 56.94 2dks s SER 114 Cb -0.01 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.03 2dks s SER 114 CO 0.21 0.15 -0.12 -0.69 0.41 0.00 0.00 173.24 173.19 2dks s VAL 115 N -0.97 1.15 -0.04 3.43 1.01 -1.26 -2.32 120.40 121.40 2dks s VAL 115 Ca 0.09 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.66 2dks s VAL 115 Cb -0.10 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 2dks s VAL 115 CO 0.03 0.36 -0.25 -1.38 0.00 0.00 0.00 175.10 173.87 2dks s HIS 116 N 0.71 2.33 0.61 5.22 -3.43 -0.26 -4.72 115.29 115.75 2dks s HIS 116 Ca -0.14 -0.59 -0.17 0.00 -0.80 0.00 0.00 55.06 53.37 2dks s HIS 116 Cb -0.16 -1.52 -0.03 0.00 -1.43 0.00 0.00 32.58 29.45 2dks s HIS 116 CO 0.03 -0.14 1.12 -1.25 -2.00 0.00 0.00 174.74 172.50 2dks s PRO 117 N -0.34 3.04 -1.19 -0.38 0.04 -1.26 -3.31 135.00 131.60 2dks s PRO 117 Ca 0.02 1.49 -0.23 0.00 0.04 0.00 0.00 61.00 62.32 2dks s PRO 117 Cb -0.12 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.35 2dks s PRO 117 CO 0.02 -1.07 1.94 -1.21 0.04 0.00 0.00 177.00 176.72 2dks s GLU 118 N -3.74 2.42 -0.28 4.56 2.02 -1.26 -4.79 118.70 117.63 2dks s GLU 118 Ca 0.70 -1.15 -0.25 0.00 0.02 0.00 0.00 54.97 54.28 2dks s GLU 118 Cb -0.22 -5.23 0.11 0.00 0.10 0.00 0.00 34.13 28.89 2dks s GLU 118 CO 0.35 -4.09 0.97 -0.08 0.02 0.00 0.00 175.26 172.43 2dks s THR 119 N 11.40 0.00 0.42 3.63 -1.32 -1.26 -5.16 115.64 123.35 2dks s THR 119 Ca 0.69 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.93 2dks s THR 119 Cb -0.01 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.90 2dks s THR 119 CO 0.14 0.00 1.18 -2.16 -2.21 0.00 0.00 174.62 171.57 2dks s PRO 120 N 0.22 3.93 -0.15 7.08 0.04 -1.26 -4.92 135.00 139.94 2dks s PRO 120 Ca 0.02 1.84 -0.31 0.00 0.04 0.00 0.00 61.00 62.59 2dks s PRO 120 Cb -0.05 -2.58 -0.09 0.00 0.04 0.00 0.00 34.50 31.83 2dks s PRO 120 CO -0.05 -0.43 2.08 1.17 0.04 0.00 0.00 177.00 179.81 2dks n LYS 121 N -0.14 2.08 -0.28 4.56 4.81 -1.26 -4.96 118.16 122.97 2dks n LYS 121 Ca 0.05 0.68 -0.08 0.00 -0.87 0.00 0.00 58.31 58.09 2dks n LYS 121 Cb 0.47 -2.91 0.07 0.00 0.02 0.00 0.00 35.03 32.67 2dks n LYS 121 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2dks n PRO 122 N 7.86 -1.61 -2.36 1.64 -0.04 -1.26 -5.01 135.00 134.23 2dks n PRO 122 Ca 0.28 -0.48 -0.17 0.00 -0.04 0.00 0.00 63.50 63.09 2dks n PRO 122 Cb 0.36 -0.45 0.03 0.00 -0.04 0.00 0.00 33.50 33.40 2dks n PRO 122 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dks n SER 123 N -3.51 3.72 -4.76 3.54 3.41 -1.26 -5.09 113.62 109.67 2dks n SER 123 Ca 0.04 -3.19 -0.39 0.00 -0.26 0.00 0.00 58.87 55.07 2dks n SER 123 Cb 0.16 -0.41 0.03 0.00 -0.26 0.00 0.00 64.21 63.73 2dks n SER 123 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2dks s ILE 124 N -4.40 2.14 -0.53 -1.33 1.10 -1.26 -4.99 121.20 111.93 2dks s ILE 124 Ca 0.42 0.11 0.04 0.00 -0.51 0.00 0.00 60.65 60.71 2dks s ILE 124 Cb 0.39 -3.06 0.15 0.00 0.15 0.00 0.00 42.46 40.09 2dks s ILE 124 CO -0.01 0.01 0.35 -0.55 -2.11 0.00 0.00 174.94 172.62 2dks s SER 125 N -0.81 3.54 0.00 4.50 0.15 -1.26 -5.08 113.70 114.74 2dks s SER 125 Ca 0.67 -3.17 0.00 0.00 0.70 0.00 0.00 55.95 54.15 2dks s SER 125 Cb -0.41 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 2dks s SER 125 CO 0.50 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.37 2dks n GLY 126 N 2.82 -0.74 3.59 9.45 0.00 -1.26 -5.11 105.19 113.94 2dks n GLY 126 Ca 0.17 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.00 3.25 0.27 1.61 0.04 -1.26 -4.88 135.00 132.03 2dks s PRO 127 Ca 0.00 1.17 -0.01 0.00 0.04 0.00 0.00 61.00 62.19 2dks s PRO 127 Cb 0.00 -4.20 0.60 0.00 0.04 0.00 0.00 34.50 30.94 2dks s PRO 127 CO 0.00 -1.97 1.43 0.45 0.04 0.00 0.00 177.00 176.95 2dks n SER 128 N 10.47 -0.18 -0.07 6.66 2.88 -1.26 -1.16 113.62 130.95 2dks n SER 128 Ca 0.21 1.56 -0.12 0.00 -1.33 0.00 0.00 58.87 59.19 2dks n SER 128 Cb 0.48 -0.53 -0.10 0.00 -0.75 0.00 0.00 64.21 63.31 2dks n SER 128 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dks h SER 129 N 0.00 0.00 0.00 -3.46 0.02 -2.07 -3.55 113.55 104.48 2dks h SER 129 Ca 0.51 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2dks h SER 129 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2dks h SER 129 CO -0.89 0.95 0.00 0.61 -1.14 0.00 0.00 176.83 176.36