#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 7.40 -0.06 1.61 1.04 -1.26 -5.00 113.70 117.43 2dks s SER 2 Ca 0.00 1.66 -0.04 0.00 0.48 0.00 0.00 55.95 58.05 2dks s SER 2 Cb 0.00 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.56 2dks s SER 2 CO 0.00 0.04 0.21 -1.28 0.98 0.00 0.00 173.24 173.19 2dks h SER 3 N 5.21 -0.14 -4.76 7.02 0.87 -2.15 -3.51 113.55 116.11 2dks h SER 3 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2dks h SER 3 Cb 1.21 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2dks h SER 3 CO 0.70 0.25 0.00 0.61 -0.53 0.00 0.00 176.83 177.86 2dks n GLY 4 N 1.33 3.66 3.50 5.77 0.00 -1.26 -5.14 105.19 113.06 2dks n GLY 4 Ca -0.02 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.77 -0.18 1.61 0.15 -1.26 -5.15 113.70 108.10 2dks s SER 5 Ca 0.00 1.28 -0.07 0.00 0.70 0.00 0.00 55.95 57.86 2dks s SER 5 Cb 0.00 1.17 0.08 0.00 -1.71 0.00 0.00 66.02 65.56 2dks s SER 5 CO 0.00 -0.22 0.39 -0.94 1.20 0.00 0.00 173.24 173.67 2dks s SER 6 N 1.42 -0.22 0.00 5.45 1.04 -1.26 -5.14 113.70 114.99 2dks s SER 6 Ca -0.09 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.25 2dks s SER 6 Cb -0.06 1.13 0.00 0.00 0.10 0.00 0.00 66.02 67.19 2dks s SER 6 CO -0.15 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2dks n GLY 7 N 5.14 -0.60 3.73 7.32 0.00 -1.26 -5.13 105.19 114.39 2dks n GLY 7 Ca -0.11 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 2dks n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dks s THR 8 N -2.78 2.75 0.17 2.61 -1.32 -1.26 -5.04 115.64 110.76 2dks s THR 8 Ca 0.00 0.28 0.06 0.00 -1.21 0.00 0.00 61.69 60.82 2dks s THR 8 Cb 0.00 -2.64 -0.04 0.00 -1.51 0.00 0.00 72.50 68.31 2dks s THR 8 CO 0.00 -0.28 0.05 0.00 -2.21 0.00 0.00 174.62 172.18 2dks s ALA 9 N -2.58 3.33 -0.28 11.08 0.00 -1.26 -5.13 121.76 126.93 2dks s ALA 9 Ca 0.66 -1.31 -0.25 0.00 0.00 0.00 0.00 51.96 51.06 2dks s ALA 9 Cb -0.21 -1.13 0.12 0.00 0.00 0.00 0.00 23.12 21.90 2dks s ALA 9 CO 0.52 0.49 1.05 1.14 0.00 0.00 0.00 175.76 178.96 2dks s GLN 10 N -2.99 0.49 -0.20 0.00 -2.07 -1.26 -5.12 119.66 108.50 2dks s GLN 10 Ca 0.29 0.57 -0.38 0.00 -1.82 0.00 0.00 55.36 54.02 2dks s GLN 10 Cb -0.10 0.24 -0.14 0.00 -1.09 0.00 0.00 33.01 31.92 2dks s GLN 10 CO 0.20 -0.06 1.78 -0.11 -1.32 0.00 0.00 175.29 175.78 2dks n LEU 11 N 2.17 2.73 -4.34 2.60 0.00 -1.25 -4.58 117.00 114.33 2dks n LEU 11 Ca -0.12 1.04 -0.19 0.00 0.00 0.00 0.00 56.01 56.74 2dks n LEU 11 Cb 0.56 -1.22 -0.09 0.00 0.00 0.00 0.00 43.42 42.66 2dks n LEU 11 CO 0.02 -0.32 -0.21 0.28 0.00 0.00 0.00 177.39 177.17 2dks s THR 12 N 3.60 0.36 -0.03 1.96 -1.32 -1.07 -4.86 115.64 114.29 2dks s THR 12 Ca 0.96 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 59.45 2dks s THR 12 Cb -0.94 -2.53 0.02 0.00 -1.51 0.00 0.00 72.50 67.55 2dks s THR 12 CO 0.60 0.00 -0.02 -0.63 -2.21 0.00 0.00 174.62 172.36 2dks s ILE 13 N -3.62 0.32 -0.22 5.08 1.01 -1.26 -1.56 121.20 120.94 2dks s ILE 13 Ca 0.36 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.99 2dks s ILE 13 Cb 0.05 -0.36 0.04 0.00 0.01 0.00 0.00 42.46 42.21 2dks s ILE 13 CO 0.17 0.16 -0.13 -0.70 0.00 0.00 0.00 174.94 174.44 2dks s GLU 14 N 0.74 2.32 0.23 2.79 2.12 -0.16 -4.86 118.70 121.88 2dks s GLU 14 Ca -0.08 -1.05 -0.30 0.00 0.36 0.00 0.00 54.97 53.90 2dks s GLU 14 Cb -0.11 -2.65 -0.10 0.00 0.26 0.00 0.00 34.13 31.53 2dks s GLU 14 CO -0.01 -0.44 1.41 0.00 -0.54 0.00 0.00 175.26 175.68 2dks s ALA 15 N 1.25 3.61 -0.18 6.30 0.00 -1.26 -1.64 121.76 129.84 2dks s ALA 15 Ca -0.03 1.27 -0.05 0.00 0.00 0.00 0.00 51.96 53.15 2dks s ALA 15 Cb -0.17 -3.54 0.06 0.00 0.00 0.00 0.00 23.12 19.47 2dks s ALA 15 CO -0.08 -0.69 0.08 0.08 0.00 0.00 0.00 175.76 175.15 2dks s VAL 16 N 0.13 0.04 1.07 0.00 1.01 0.44 -2.62 120.40 120.47 2dks s VAL 16 Ca 0.59 -0.25 -0.15 0.00 0.00 0.00 0.00 61.98 62.18 2dks s VAL 16 Cb -0.40 -0.67 0.22 0.00 0.00 0.00 0.00 36.38 35.53 2dks s VAL 16 CO 0.41 -0.27 1.10 -2.16 0.00 0.00 0.00 175.10 174.17 2dks s PRO 17 N 2.08 -0.17 0.36 2.72 0.04 -1.26 0.09 135.00 138.86 2dks s PRO 17 Ca 0.01 0.31 0.19 0.00 0.04 0.00 0.00 61.00 61.56 2dks s PRO 17 Cb -0.16 -1.69 0.44 0.00 0.04 0.00 0.00 34.50 33.13 2dks s PRO 17 CO -0.09 -3.09 1.62 1.03 0.04 0.00 0.00 177.00 176.51 2dks h SER 18 N -2.14 0.00 -2.03 6.66 0.87 -1.89 -3.42 113.55 111.59 2dks h SER 18 Ca -0.52 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 59.81 2dks h SER 18 Cb 1.32 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 62.97 2dks h SER 18 CO 0.51 0.35 -0.56 0.20 -0.53 0.00 0.00 176.83 176.80 2dks s ASN 19 N -6.34 0.84 0.56 6.23 0.01 -1.26 -3.52 114.94 111.45 2dks s ASN 19 Ca 0.03 -0.23 0.09 0.00 -0.71 0.00 0.00 52.86 52.04 2dks s ASN 19 Cb 0.09 0.83 0.07 0.00 0.41 0.00 0.00 41.25 42.65 2dks s ASN 19 CO 0.70 -0.34 0.73 0.00 -1.51 0.00 0.00 177.10 176.67 2dks s ALA 20 N 2.46 4.66 0.18 0.60 0.00 -1.04 -4.92 121.76 123.69 2dks s ALA 20 Ca 0.10 -2.01 0.09 0.00 0.00 0.00 0.00 51.96 50.14 2dks s ALA 20 Cb -0.14 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 2dks s ALA 20 CO -0.22 -0.76 -0.13 0.00 0.00 0.00 0.00 175.76 174.64 2dks s ALA 21 N -2.65 2.85 0.07 0.00 0.00 -1.26 -1.11 121.76 119.66 2dks s ALA 21 Ca 0.58 -1.49 -0.36 0.00 0.00 0.00 0.00 51.96 50.68 2dks s ALA 21 Cb -0.06 -0.66 -0.19 0.00 0.00 0.00 0.00 23.12 22.22 2dks s ALA 21 CO 0.36 0.47 0.99 0.39 0.00 0.00 0.00 175.76 177.97 2dks n GLU 22 N 0.14 0.24 0.00 0.00 1.02 -1.18 0.27 120.64 121.14 2dks n GLU 22 Ca -0.11 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2dks n GLU 22 Cb 0.55 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 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 1.76 2.50 3.39 0.62 0.00 -0.68 -4.92 105.19 107.86 2dks n GLY 23 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 2dks n GLY 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dks n LYS 24 N -2.00 -0.73 -4.34 1.61 4.76 0.14 -3.92 118.16 113.68 2dks n LYS 24 Ca 0.00 -2.02 -0.24 0.00 -2.87 0.00 0.00 58.31 53.18 2dks n LYS 24 Cb 0.00 -0.97 -0.12 0.00 -1.84 0.00 0.00 35.03 32.10 2dks n LYS 24 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2dks s GLU 25 N -5.27 1.29 -0.09 1.97 4.04 -1.26 -0.43 118.70 118.96 2dks s GLU 25 Ca 0.63 -1.35 -0.00 0.00 0.04 0.00 0.00 54.97 54.29 2dks s GLU 25 Cb -0.02 -1.52 0.02 0.00 0.02 0.00 0.00 34.13 32.63 2dks s GLU 25 CO 0.43 0.33 -0.05 0.08 -1.84 0.00 0.00 175.26 174.22 2dks s VAL 26 N -1.58 0.80 -0.42 1.83 1.01 0.10 -4.52 120.40 117.63 2dks s VAL 26 Ca 0.14 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.79 2dks s VAL 26 Cb -0.08 -0.85 0.03 0.00 0.00 0.00 0.00 36.38 35.47 2dks s VAL 26 CO 0.06 0.32 0.37 -0.22 0.00 0.00 0.00 175.10 175.64 2dks s LEU 27 N 1.63 5.07 -0.77 3.92 2.96 0.11 -0.19 118.68 131.42 2dks s LEU 27 Ca 0.02 -0.87 -0.23 0.00 -0.22 0.00 0.00 54.13 52.83 2dks s LEU 27 Cb -0.13 -2.25 0.06 0.00 0.50 0.00 0.00 46.19 44.38 2dks s LEU 27 CO -0.06 -0.53 1.15 -0.76 -1.32 0.00 0.00 176.35 174.84 2dks s LEU 28 N 1.86 3.98 0.59 -0.68 1.43 -0.85 -0.42 118.68 124.61 2dks s LEU 28 Ca 0.08 -1.04 -0.15 0.00 -1.03 0.00 0.00 54.13 51.99 2dks s LEU 28 Cb -0.19 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 2dks s LEU 28 CO 0.11 -1.52 1.04 -0.76 0.23 0.00 0.00 176.35 175.45 2dks s LEU 29 N 4.51 3.46 0.00 1.79 1.43 -0.65 -3.01 118.68 126.21 2dks s LEU 29 Ca 0.31 1.71 0.07 0.00 -1.03 0.00 0.00 54.13 55.19 2dks s LEU 29 Cb -0.10 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.58 2dks s LEU 29 CO 0.06 -1.07 -0.23 -0.69 0.23 0.00 0.00 176.35 174.65 2dks s VAL 30 N -2.62 1.84 0.36 -1.59 1.01 -1.26 -0.99 120.40 117.14 2dks s VAL 30 Ca 0.61 -1.07 0.04 0.00 0.00 0.00 0.00 61.98 61.56 2dks s VAL 30 Cb -0.14 -1.54 -0.06 0.00 0.00 0.00 0.00 36.38 34.64 2dks s VAL 30 CO 0.39 0.44 0.06 -1.00 0.00 0.00 0.00 175.10 175.00 2dks s HIS 31 N -0.62 1.99 -1.05 5.22 0.09 -0.60 -4.76 115.29 115.56 2dks s HIS 31 Ca 0.09 -0.98 0.00 0.00 -0.00 0.00 0.00 55.06 54.17 2dks s HIS 31 Cb -0.09 -1.33 0.00 0.00 -0.00 0.00 0.00 32.58 31.16 2dks s HIS 31 CO -0.00 0.02 0.00 0.09 -0.00 0.00 0.00 174.74 174.85 2dks n ASN 32 N -0.84 -3.73 -4.49 1.40 3.02 -1.26 -2.59 115.26 106.77 2dks n ASN 32 Ca -0.04 0.22 -0.32 0.00 -0.03 0.00 0.00 54.58 54.41 2dks n ASN 32 Cb 0.66 -3.22 0.15 0.00 -0.61 0.00 0.00 39.78 36.77 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 0.66 0.00 3.41 4.77 -1.26 -3.83 117.00 118.08 2dks n LEU 33 Ca -0.14 0.28 -0.16 0.00 -0.03 0.00 0.00 56.01 55.96 2dks n LEU 33 Cb 0.58 -1.28 0.13 0.00 -2.33 0.00 0.00 43.42 40.53 2dks n LEU 33 CO 0.17 -3.07 0.32 -0.81 -1.33 0.00 0.00 177.39 172.66 2dks n PRO 34 N -2.83 -2.15 -0.08 3.23 -0.04 -1.26 -5.01 135.00 126.87 2dks n PRO 34 Ca 0.08 -0.92 -0.10 0.00 -0.04 0.00 0.00 63.50 62.51 2dks n PRO 34 Cb 0.54 -0.86 -0.06 0.00 -0.04 0.00 0.00 33.50 33.08 2dks n PRO 34 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2dks h GLN 35 N 0.00 0.00 -2.92 0.54 3.07 -2.00 -3.43 115.11 110.36 2dks h GLN 35 Ca -0.22 0.00 -0.61 0.00 0.09 0.00 0.00 58.65 57.91 2dks h GLN 35 Cb 0.66 0.00 -0.41 0.00 0.08 0.00 0.00 27.48 27.82 2dks h GLN 35 CO 0.14 0.43 -0.70 -0.51 0.09 0.00 0.00 178.83 178.28 2dks s ASP 36 N -6.10 3.78 0.02 0.06 1.11 -1.26 -5.09 116.67 109.19 2dks s ASP 36 Ca -0.17 -3.40 -0.30 0.00 0.18 0.00 0.00 52.55 48.86 2dks s ASP 36 Cb 0.02 -1.25 -0.06 0.00 1.07 0.00 0.00 42.92 42.70 2dks s ASP 36 CO 0.35 -0.15 1.43 -2.16 1.18 0.00 0.00 175.17 175.83 2dks s PRO 37 N -0.70 4.28 0.15 8.23 0.04 -1.26 -2.81 135.00 142.92 2dks s PRO 37 Ca 0.25 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.28 2dks s PRO 37 Cb -0.08 -3.54 -0.04 0.00 0.04 0.00 0.00 34.50 30.89 2dks s PRO 37 CO -0.13 -0.58 1.36 -0.09 0.04 0.00 0.00 177.00 177.59 2dks h ARG 38 N 7.78 0.42 -1.03 4.56 2.43 0.05 -3.44 114.38 125.16 2dks h ARG 38 Ca -0.39 -0.40 0.34 0.00 -0.81 0.00 0.00 59.98 58.72 2dks h ARG 38 Cb 1.19 0.10 -0.20 0.00 -0.42 0.00 0.00 29.97 30.64 2dks h ARG 38 CO 0.90 1.05 0.99 0.20 -1.51 0.00 0.00 179.97 181.60 2dks s GLY 39 N -4.36 -0.24 0.17 2.80 0.00 -1.16 -1.50 107.32 103.03 2dks s GLY 39 Ca -0.06 1.78 0.05 0.00 0.00 0.00 0.00 44.72 46.50 2dks s GLY 39 CO 0.86 0.57 0.13 -0.19 0.00 0.00 0.00 173.10 174.47 2dks s TYR 40 N -2.03 3.11 -0.25 1.90 2.02 0.82 -1.43 117.35 121.49 2dks s TYR 40 Ca 0.12 -0.04 -0.05 0.00 -0.37 0.00 0.00 57.07 56.73 2dks s TYR 40 Cb 0.00 -1.48 0.13 0.00 -0.40 0.00 0.00 41.96 40.21 2dks s TYR 40 CO -0.03 0.52 0.49 -0.80 -1.57 0.00 0.00 175.55 174.16 2dks s ASN 41 N -3.16 -0.52 0.24 2.29 0.01 -0.28 -0.96 114.94 112.57 2dks s ASN 41 Ca 0.31 0.90 0.05 0.00 -0.71 0.00 0.00 52.86 53.41 2dks s ASN 41 Cb -0.10 1.63 -0.03 0.00 0.41 0.00 0.00 41.25 43.17 2dks s ASN 41 CO 0.23 -0.25 0.35 0.26 -1.51 0.00 0.00 177.10 176.17 2dks s TRP 42 N 2.70 3.40 0.09 2.20 0.52 -0.81 0.45 118.94 127.50 2dks s TRP 42 Ca 0.05 -0.04 -0.11 0.00 0.02 0.00 0.00 56.10 56.03 2dks s TRP 42 Cb -0.13 -1.57 0.01 0.00 -1.15 0.00 0.00 33.47 30.63 2dks s TRP 42 CO -0.16 0.43 0.26 0.71 0.02 0.00 0.00 176.95 178.21 2dks s TYR 43 N -2.00 0.03 -0.41 -1.98 1.51 0.15 -1.60 117.35 113.05 2dks s TYR 43 Ca 0.34 -0.41 -0.15 0.00 -1.01 0.00 0.00 57.07 55.84 2dks s TYR 43 Cb -0.09 0.04 0.02 0.00 -0.11 0.00 0.00 41.96 41.82 2dks s TYR 43 CO 0.29 -0.58 0.32 0.21 -1.11 0.00 0.00 175.55 174.68 2dks s LYS 44 N -3.72 3.00 0.00 -0.62 2.20 0.81 -2.09 119.74 119.32 2dks s LYS 44 Ca 0.03 -0.96 0.00 0.00 -0.36 0.00 0.00 55.97 54.68 2dks s LYS 44 Cb 0.03 -3.97 0.00 0.00 -1.51 0.00 0.00 37.83 32.38 2dks s LYS 44 CO -0.11 -0.76 0.00 0.41 -0.36 0.00 0.00 175.35 174.53 2dks n GLY 45 N 5.15 0.21 1.67 5.54 0.00 0.26 -4.70 105.19 113.31 2dks n GLY 45 Ca -0.10 -1.96 -0.15 0.00 0.00 0.00 0.00 46.02 43.81 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 2.99 -3.82 1.61 1.02 -1.26 -2.40 120.64 118.78 2dks n GLU 46 Ca 0.00 -3.90 -0.13 0.00 -0.02 0.00 0.00 57.16 53.11 2dks n GLU 46 Cb 0.00 -2.06 -0.14 0.00 -0.02 0.00 0.00 31.44 29.22 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 -4.17 -0.01 -0.98 2.62 -4.23 -1.26 -5.04 115.64 102.57 2dks s THR 47 Ca 0.47 0.05 -0.02 0.00 -1.18 0.00 0.00 61.69 61.00 2dks s THR 47 Cb 0.40 -0.14 0.26 0.00 1.34 0.00 0.00 72.50 74.35 2dks s THR 47 CO 0.01 0.02 2.10 0.52 -0.54 0.00 0.00 174.62 176.72 2dks n VAL 48 N 3.34 5.05 -4.34 2.29 0.31 -1.26 -4.67 118.33 119.05 2dks n VAL 48 Ca -0.16 -4.92 -0.34 0.00 -0.01 0.00 0.00 64.34 58.90 2dks n VAL 48 Cb 0.57 -1.59 -0.09 0.00 -0.91 0.00 0.00 33.84 31.82 2dks n VAL 48 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2dks s ASP 49 N -0.74 5.22 0.39 4.52 1.11 -1.26 -5.00 116.67 120.91 2dks s ASP 49 Ca 0.47 0.11 0.17 0.00 0.18 0.00 0.00 52.55 53.47 2dks s ASP 49 Cb 0.27 -1.44 1.05 0.00 1.07 0.00 0.00 42.92 43.87 2dks s ASP 49 CO -0.20 0.35 1.78 0.00 1.18 0.00 0.00 175.17 178.28 2dks h ALA 50 N 4.90 2.15 -0.98 5.23 0.00 -1.96 0.21 119.26 128.82 2dks h ALA 50 Ca -0.50 0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.54 2dks h ALA 50 Cb 1.19 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 2dks h ALA 50 CO 0.55 -0.54 0.63 -0.91 0.00 0.00 0.00 179.25 178.98 2dks h ASN 51 N 0.44 0.99 -0.75 0.00 4.21 -1.98 -1.22 115.58 117.27 2dks h ASN 51 Ca 0.58 0.02 -0.35 0.00 1.21 0.00 0.00 56.30 57.76 2dks h ASN 51 Cb 1.39 -0.19 -0.21 0.00 -1.12 0.00 0.00 38.32 38.19 2dks h ASN 51 CO -0.30 0.62 0.36 0.54 -1.29 0.00 0.00 177.43 177.36 2dks n ARG 52 N -4.54 2.48 -3.02 0.81 5.12 0.67 -4.62 116.66 113.55 2dks n ARG 52 Ca 0.15 -3.07 -0.42 0.00 -1.93 0.00 0.00 57.85 52.58 2dks n ARG 52 Cb 0.21 -2.08 -0.06 0.00 -1.16 0.00 0.00 32.46 29.37 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 -3.21 3.59 0.00 5.56 3.52 -0.46 -0.14 118.95 127.82 2dks s ARG 53 Ca 0.53 0.06 -0.22 0.00 -0.13 0.00 0.00 55.73 55.97 2dks s ARG 53 Cb 0.45 -3.86 -0.12 0.00 -1.56 0.00 0.00 34.95 29.86 2dks s ARG 53 CO 0.09 -0.91 0.96 0.82 -0.81 0.00 0.00 175.30 175.45 2dks h ILE 54 N 5.80 0.00 -2.05 4.11 2.04 -1.56 -3.23 117.51 122.62 2dks h ILE 54 Ca -0.25 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 2dks h ILE 54 Cb 1.10 0.00 -0.21 0.00 -0.74 0.00 0.00 36.82 36.96 2dks h ILE 54 CO 0.90 0.00 0.10 -0.51 0.00 0.00 0.00 178.15 178.64 2dks s ILE 55 N -4.15 -0.00 -0.14 -0.67 2.07 -1.24 -0.31 121.20 116.75 2dks s ILE 55 Ca -0.11 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.14 2dks s ILE 55 Cb 0.01 -0.97 0.02 0.00 0.13 0.00 0.00 42.46 41.65 2dks s ILE 55 CO 0.34 0.00 -0.18 -0.83 -1.91 0.00 0.00 174.94 172.36 2dks s GLY 56 N 0.45 1.24 0.10 1.50 0.00 -0.25 -1.92 107.32 108.43 2dks s GLY 56 Ca -0.01 -0.99 0.07 0.00 0.00 0.00 0.00 44.72 43.80 2dks s GLY 56 CO -0.00 0.22 -0.12 -0.47 0.00 0.00 0.00 173.10 172.73 2dks s TYR 57 N 1.10 2.69 -0.03 1.90 5.04 -0.14 0.07 117.35 127.99 2dks s TYR 57 Ca -0.02 -0.18 0.05 0.00 -2.44 0.00 0.00 57.07 54.47 2dks s TYR 57 Cb -0.14 -1.42 -0.03 0.00 0.35 0.00 0.00 41.96 40.72 2dks s TYR 57 CO -0.06 0.41 -0.16 0.08 -1.34 0.00 0.00 175.55 174.48 2dks s VAL 58 N -1.18 2.96 -0.81 3.14 1.01 0.88 -0.13 120.40 126.27 2dks s VAL 58 Ca 0.20 -0.84 0.22 0.00 0.00 0.00 0.00 61.98 61.57 2dks s VAL 58 Cb -0.11 -2.17 -0.16 0.00 0.00 0.00 0.00 36.38 33.94 2dks s VAL 58 CO 0.12 0.54 1.01 -0.38 0.00 0.00 0.00 175.10 176.38 2dks n ILE 59 N 2.15 0.05 -0.11 2.22 5.41 -0.56 -1.81 119.36 126.70 2dks n ILE 59 Ca -0.17 -0.11 -0.11 0.00 1.00 0.00 0.00 62.75 63.37 2dks n ILE 59 Cb 0.52 0.55 -0.03 0.00 -0.71 0.00 0.00 39.64 39.97 2dks n ILE 59 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2dks h SER 60 N 0.00 0.52 0.00 4.38 4.64 -1.87 -3.34 113.55 117.88 2dks h SER 60 Ca 0.00 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2dks h SER 60 Cb 0.60 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2dks h SER 60 CO 0.00 0.67 -0.10 -0.46 -0.87 0.00 0.00 176.83 176.08 2dks n ASN 61 N -4.58 0.80 -3.49 4.97 0.23 -1.26 -5.02 115.26 106.90 2dks n ASN 61 Ca -0.02 -1.71 -0.19 0.00 -0.53 0.00 0.00 54.58 52.14 2dks n ASN 61 Cb 0.24 -0.09 0.07 0.00 -2.08 0.00 0.00 39.78 37.91 2dks n ASN 61 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2dks n GLN 62 N -0.30 -5.05 -3.91 -3.83 6.02 -0.75 -5.00 117.38 104.55 2dks n GLN 62 Ca 0.02 0.77 -0.23 0.00 -0.01 0.00 0.00 57.00 57.54 2dks n GLN 62 Cb 0.49 -5.57 -0.02 0.00 1.02 0.00 0.00 30.24 26.16 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 -5.40 3.45 -0.04 -1.09 0.74 -0.90 -4.88 119.66 111.54 2dks s GLN 63 Ca 0.11 -0.66 0.02 0.00 0.05 0.00 0.00 55.36 54.88 2dks s GLN 63 Cb -0.02 -2.90 0.02 0.00 1.10 0.00 0.00 33.01 31.21 2dks s GLN 63 CO 0.76 0.44 -0.06 0.42 -0.55 0.00 0.00 175.29 176.30 2dks s ILE 64 N -1.91 0.64 -0.34 -2.34 1.01 -1.26 -0.08 121.20 116.92 2dks s ILE 64 Ca 0.35 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.78 2dks s ILE 64 Cb -0.10 -0.63 0.11 0.00 0.01 0.00 0.00 42.46 41.86 2dks s ILE 64 CO 0.29 0.24 0.15 -0.89 0.00 0.00 0.00 174.94 174.72 2dks s THR 65 N 0.67 0.70 0.41 2.92 2.01 0.11 -5.00 115.64 117.47 2dks s THR 65 Ca -0.10 -1.56 -0.25 0.00 0.31 0.00 0.00 61.69 60.09 2dks s THR 65 Cb -0.13 -1.53 -0.08 0.00 0.01 0.00 0.00 72.50 70.77 2dks s THR 65 CO 0.01 -0.77 1.19 -2.16 -0.69 0.00 0.00 174.62 172.19 2dks s PRO 66 N 1.38 4.01 0.00 4.92 0.04 -1.26 -1.10 135.00 142.99 2dks s PRO 66 Ca 0.12 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2dks s PRO 66 Cb -0.19 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.69 2dks s PRO 66 CO -0.18 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 176.90 2dks n GLY 67 N 0.62 2.49 0.19 0.56 0.00 0.57 -4.91 105.19 104.71 2dks n GLY 67 Ca 0.05 -2.10 -0.03 0.00 0.00 0.00 0.00 46.02 43.93 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 0.24 -1.04 1.61 0.13 -1.79 -3.00 132.00 128.15 2dks h PRO 68 Ca 0.00 -0.13 -0.11 0.00 -0.87 0.00 0.00 66.00 64.89 2dks h PRO 68 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 2dks h PRO 68 CO 0.00 0.66 0.14 0.00 -0.23 0.00 0.00 178.00 178.57 2dks n ALA 69 N -2.47 3.21 -3.25 -0.56 0.00 -1.24 -4.81 120.51 111.39 2dks n ALA 69 Ca -0.02 -0.60 -0.33 0.00 0.00 0.00 0.00 53.44 52.49 2dks n ALA 69 Cb 0.52 -1.10 -0.15 0.00 0.00 0.00 0.00 19.45 18.73 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 2.81 -0.14 0.00 5.04 -1.13 -4.63 117.35 118.62 2dks s TYR 70 Ca 0.12 -0.82 0.15 0.00 -2.44 0.00 0.00 57.07 54.07 2dks s TYR 70 Cb 0.10 -1.88 0.34 0.00 0.35 0.00 0.00 41.96 40.87 2dks s TYR 70 CO 0.02 -0.34 1.17 0.43 -1.34 0.00 0.00 175.55 175.49 2dks n SER 71 N 3.83 1.69 -3.63 4.32 7.64 -1.26 -4.96 113.62 121.25 2dks n SER 71 Ca -0.18 -3.25 -0.24 0.00 1.01 0.00 0.00 58.87 56.21 2dks n SER 71 Cb 0.52 -0.44 0.07 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.94 -5.00 0.00 6.43 2.85 -1.26 -4.87 115.26 112.47 2dks n ASN 72 Ca 0.15 -0.61 0.00 0.00 -0.11 0.00 0.00 54.58 54.00 2dks n ASN 72 Cb 0.73 -4.79 0.00 0.00 1.24 0.00 0.00 39.78 36.96 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 -4.75 2.52 -3.51 1.20 1.74 -1.26 -5.06 116.66 107.53 2dks n ARG 73 Ca -0.06 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.73 2dks n ARG 73 Cb 0.58 -0.85 -0.04 0.00 -1.02 0.00 0.00 32.46 31.13 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 -1.62 3.63 -0.06 5.56 8.01 -1.26 -2.77 118.70 130.18 2dks s GLU 74 Ca 0.00 -0.05 -0.02 0.00 0.01 0.00 0.00 54.97 54.90 2dks s GLU 74 Cb 0.00 -2.74 0.04 0.00 -4.31 0.00 0.00 34.13 27.12 2dks s GLU 74 CO 0.00 0.33 0.07 0.99 0.01 0.00 0.00 175.26 176.67 2dks s THR 75 N -1.89 -0.12 1.08 3.63 2.01 -0.76 -4.96 115.64 114.63 2dks s THR 75 Ca 0.42 0.35 -0.15 0.00 0.31 0.00 0.00 61.69 62.62 2dks s THR 75 Cb -0.11 -0.22 0.23 0.00 0.01 0.00 0.00 72.50 72.41 2dks s THR 75 CO 0.27 0.12 1.10 -0.63 -0.69 0.00 0.00 174.62 174.79 2dks s ILE 76 N 2.18 1.86 0.06 1.82 1.09 -1.26 -0.41 121.20 126.54 2dks s ILE 76 Ca 0.04 0.00 -0.02 0.00 -1.10 0.00 0.00 60.65 59.58 2dks s ILE 76 Cb -0.13 -2.48 -0.04 0.00 -1.06 0.00 0.00 42.46 38.76 2dks s ILE 76 CO -0.04 0.00 -0.01 -0.31 -0.10 0.00 0.00 174.94 174.48 2dks s TYR 77 N -2.97 0.50 -2.00 3.97 1.51 0.11 -4.80 117.35 113.67 2dks s TYR 77 Ca 0.67 -1.03 0.12 0.00 -1.01 0.00 0.00 57.07 55.82 2dks s TYR 77 Cb -0.16 -0.36 0.71 0.00 -0.11 0.00 0.00 41.96 42.04 2dks s TYR 77 CO 0.57 -0.40 1.14 -0.35 -1.11 0.00 0.00 175.55 175.40 2dks n PRO 78 N 0.09 0.49 -0.06 -1.71 -0.04 -1.26 -1.86 135.00 130.64 2dks n PRO 78 Ca -0.14 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.37 2dks n PRO 78 Cb 0.61 -1.38 0.08 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.88 2.28 -0.55 3.54 4.13 -1.26 -4.96 115.26 117.55 2dks n ASN 79 Ca 0.09 -2.48 -0.06 0.00 1.68 0.00 0.00 54.58 53.81 2dks n ASN 79 Cb 0.04 -0.21 -0.01 0.00 -1.54 0.00 0.00 39.78 38.06 2dks n ASN 79 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dks n ALA 80 N -0.82 -0.13 -2.82 5.41 0.00 -0.78 -4.51 120.51 116.85 2dks n ALA 80 Ca 0.08 0.06 -0.28 0.00 0.00 0.00 0.00 53.44 53.30 2dks n ALA 80 Cb 0.44 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 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 -2.82 5.71 -0.15 0.00 0.01 -1.25 -4.72 113.70 110.47 2dks s SER 81 Ca 0.00 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2dks s SER 81 Cb 0.00 -1.57 0.03 0.00 0.21 0.00 0.00 66.02 64.69 2dks s SER 81 CO 0.00 0.12 -0.12 -0.22 0.41 0.00 0.00 173.24 173.43 2dks s LEU 82 N -2.75 1.68 -0.42 2.44 2.96 -1.16 0.09 118.68 121.51 2dks s LEU 82 Ca 0.31 -0.52 -0.20 0.00 -0.22 0.00 0.00 54.13 53.50 2dks s LEU 82 Cb -0.11 -1.11 0.02 0.00 0.50 0.00 0.00 46.19 45.48 2dks s LEU 82 CO 0.24 -0.09 0.60 -0.22 -1.32 0.00 0.00 176.35 175.56 2dks s LEU 83 N 1.52 4.51 -0.10 -0.68 2.96 0.46 -2.00 118.68 125.35 2dks s LEU 83 Ca 0.04 -0.31 -0.21 0.00 -0.22 0.00 0.00 54.13 53.43 2dks s LEU 83 Cb -0.13 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.85 2dks s LEU 83 CO -0.10 -0.70 0.59 -0.32 -1.32 0.00 0.00 176.35 174.50 2dks s MET 84 N 2.67 4.38 0.06 1.98 -2.45 0.73 -1.84 119.30 124.83 2dks s MET 84 Ca 0.21 0.66 0.07 0.00 -1.25 0.00 0.00 55.69 55.38 2dks s MET 84 Cb -0.15 -3.45 -0.03 0.00 1.25 0.00 0.00 34.83 32.45 2dks s MET 84 CO 0.17 0.09 -0.16 1.03 1.05 0.00 0.00 175.02 177.19 2dks s ARG 85 N 0.80 2.07 -1.26 4.11 0.52 -1.12 0.02 118.95 124.09 2dks s ARG 85 Ca 0.31 -1.00 -0.00 0.00 -0.52 0.00 0.00 55.73 54.53 2dks s ARG 85 Cb -0.16 -2.21 0.00 0.00 0.52 0.00 0.00 34.95 33.10 2dks s ARG 85 CO 0.14 0.53 0.85 0.09 0.02 0.00 0.00 175.30 176.93 2dks n ASN 86 N 1.35 -1.62 -4.14 0.23 5.03 -0.72 -4.85 115.26 110.54 2dks n ASN 86 Ca -0.16 -0.72 -0.29 0.00 0.87 0.00 0.00 54.58 54.28 2dks n ASN 86 Cb 0.52 -4.58 0.26 0.00 -1.02 0.00 0.00 39.78 34.96 2dks n ASN 86 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 2dks n VAL 87 N -4.21 0.00 -3.67 2.41 0.24 0.43 -4.54 118.33 108.99 2dks n VAL 87 Ca -0.29 -0.35 -0.12 0.00 -2.04 0.00 0.00 64.34 61.54 2dks n VAL 87 Cb 0.67 -0.92 -0.06 0.00 -1.47 0.00 0.00 33.84 32.07 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 0.58 3.34 -4.23 -1.26 -1.69 115.64 110.15 2dks s THR 88 Ca 0.65 -0.55 0.28 0.00 -1.18 0.00 0.00 61.69 60.90 2dks s THR 88 Cb -0.20 -1.04 0.38 0.00 1.34 0.00 0.00 72.50 72.98 2dks s THR 88 CO 0.63 -0.30 1.97 0.08 -0.54 0.00 0.00 174.62 176.46 2dks h ARG 89 N 2.79 0.00 0.01 3.99 0.11 -1.95 -1.47 114.38 117.86 2dks h ARG 89 Ca -0.32 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.76 2dks h ARG 89 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 2dks h ARG 89 CO 0.45 0.00 -0.00 -0.97 0.10 0.00 0.00 179.97 179.55 2dks h ASN 90 N 0.00 -0.01 -0.77 0.08 -1.24 -1.95 -3.27 115.58 108.43 2dks h ASN 90 Ca 0.18 -0.71 0.31 0.00 0.71 0.00 0.00 56.30 56.79 2dks h ASN 90 Cb 0.95 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 39.86 2dks h ASN 90 CO -0.00 0.72 0.35 0.47 -1.29 0.00 0.00 177.43 177.68 2dks n ASP 91 N -4.75 0.22 -4.51 1.15 9.92 -0.55 -4.48 116.55 113.54 2dks n ASP 91 Ca -0.09 1.28 -0.56 0.00 -0.53 0.00 0.00 54.79 54.88 2dks n ASP 91 Cb 0.35 -0.60 -0.07 0.00 -0.64 0.00 0.00 41.12 40.17 2dks n ASP 91 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2dks n THR 92 N -4.78 0.23 0.00 -3.53 -1.04 -1.23 -4.56 114.28 99.36 2dks n THR 92 Ca 0.27 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 2dks n THR 92 Cb 0.93 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 69.23 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 1.77 -1.19 3.40 3.41 0.00 -1.26 -5.08 105.19 106.24 2dks n GLY 93 Ca 0.19 0.51 -0.14 0.00 0.00 0.00 0.00 46.02 46.58 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 -0.49 -0.24 1.61 0.01 -1.26 -4.84 113.70 104.49 2dks s SER 94 Ca 0.00 0.82 -0.03 0.00 1.31 0.00 0.00 55.95 58.04 2dks s SER 94 Cb 0.00 0.84 0.08 0.00 0.21 0.00 0.00 66.02 67.15 2dks s SER 94 CO 0.00 -0.30 0.09 -0.31 0.41 0.00 0.00 173.24 173.13 2dks s TYR 95 N -0.25 0.71 0.09 2.43 1.51 -1.17 0.90 117.35 121.57 2dks s TYR 95 Ca -0.04 -0.87 -0.26 0.00 -1.01 0.00 0.00 57.07 54.89 2dks s TYR 95 Cb -0.03 -1.01 -0.06 0.00 -0.11 0.00 0.00 41.96 40.74 2dks s TYR 95 CO 0.03 -0.69 0.80 0.99 -1.11 0.00 0.00 175.55 175.56 2dks s THR 96 N 1.96 4.58 -0.24 -0.71 2.01 -0.89 -0.62 115.64 121.73 2dks s THR 96 Ca 0.05 1.72 0.01 0.00 0.31 0.00 0.00 61.69 63.78 2dks s THR 96 Cb -0.17 -4.16 0.06 0.00 0.01 0.00 0.00 72.50 68.25 2dks s THR 96 CO -0.20 0.41 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.88 2dks s LEU 97 N -0.39 2.68 -0.09 4.42 1.98 0.19 0.34 118.68 127.81 2dks s LEU 97 Ca 0.39 -1.26 -0.14 0.00 -2.89 0.00 0.00 54.13 50.23 2dks s LEU 97 Cb -0.22 -1.19 -0.05 0.00 0.66 0.00 0.00 46.19 45.40 2dks s LEU 97 CO 0.25 -0.25 0.35 -1.58 -1.89 0.00 0.00 176.35 173.22 2dks s GLN 98 N 1.38 4.04 -0.22 1.98 0.74 0.17 -2.95 119.66 124.80 2dks s GLN 98 Ca -0.04 0.24 0.01 0.00 0.05 0.00 0.00 55.36 55.62 2dks s GLN 98 Cb -0.19 -3.32 0.03 0.00 1.10 0.00 0.00 33.01 30.63 2dks s GLN 98 CO -0.07 0.46 -0.13 0.08 -0.55 0.00 0.00 175.29 175.08 2dks s VAL 99 N -0.27 2.35 0.33 1.34 1.01 -1.22 -1.12 120.40 122.82 2dks s VAL 99 Ca 0.20 -1.17 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 2dks s VAL 99 Cb -0.15 -2.17 -0.07 0.00 0.00 0.00 0.00 36.38 33.99 2dks s VAL 99 CO 0.08 0.27 0.69 -0.63 0.00 0.00 0.00 175.10 175.52 2dks s ILE 100 N 1.25 4.80 0.18 2.22 1.09 -0.52 -0.85 121.20 129.37 2dks s ILE 100 Ca -0.01 0.64 0.10 0.00 -1.10 0.00 0.00 60.65 60.29 2dks s ILE 100 Cb -0.16 -3.67 -0.04 0.00 -1.06 0.00 0.00 42.46 37.53 2dks s ILE 100 CO -0.08 -0.30 -0.22 -0.54 -0.10 0.00 0.00 174.94 173.70 2dks s LYS 101 N -3.33 1.43 0.48 2.79 1.02 0.85 0.72 119.74 123.70 2dks s LYS 101 Ca 0.51 -1.48 0.22 0.00 0.02 0.00 0.00 55.97 55.23 2dks s LYS 101 Cb -0.10 -1.65 1.20 0.00 -0.52 0.00 0.00 37.83 36.75 2dks s LYS 101 CO 0.24 0.35 1.63 -0.07 -0.92 0.00 0.00 175.35 176.59 2dks h LEU 102 N 3.21 0.00 -2.75 3.17 -0.00 -1.83 -0.33 115.31 116.78 2dks h LEU 102 Ca -0.45 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.26 2dks h LEU 102 Cb 1.21 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 41.77 2dks h LEU 102 CO 0.49 0.00 0.22 -0.46 -0.00 0.00 0.00 178.44 178.69 2dks n ASN 103 N -2.46 3.71 -2.39 -0.43 6.94 -1.26 -4.80 115.26 114.57 2dks n ASN 103 Ca -0.01 -2.57 -0.10 0.00 -0.02 0.00 0.00 54.58 51.87 2dks n ASN 103 Cb 0.31 -0.69 -0.01 0.00 -2.36 0.00 0.00 39.78 37.03 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 0.09 -0.92 -4.82 -4.53 4.77 -0.14 -4.92 117.00 106.53 2dks n LEU 104 Ca 0.19 0.25 -0.27 0.00 -0.03 0.00 0.00 56.01 56.16 2dks n LEU 104 Cb 0.83 -1.91 -0.04 0.00 -2.33 0.00 0.00 43.42 39.96 2dks n LEU 104 CO 0.21 -0.13 -0.08 -0.04 -1.33 0.00 0.00 177.39 176.02 2dks s MET 105 N -4.91 2.25 0.06 3.23 -1.94 -1.15 -4.94 119.30 111.91 2dks s MET 105 Ca 0.00 -1.99 -0.25 0.00 -1.71 0.00 0.00 55.69 51.73 2dks s MET 105 Cb 0.00 -1.97 0.06 0.00 2.01 0.00 0.00 34.83 34.93 2dks s MET 105 CO 0.00 -0.36 0.60 -1.54 -0.01 0.00 0.00 175.02 173.71 2dks s SER 106 N -4.06 -0.56 0.35 3.03 1.04 -1.26 -0.10 113.70 112.13 2dks s SER 106 Ca 0.32 0.27 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2dks s SER 106 Cb 0.01 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2dks s SER 106 CO 0.19 -0.79 0.04 -0.62 0.98 0.00 0.00 173.24 173.03 2dks n GLU 107 N 0.24 1.13 -3.77 4.02 1.02 -0.03 -4.93 120.64 118.33 2dks n GLU 107 Ca -0.18 -2.50 -0.13 0.00 -0.02 0.00 0.00 57.16 54.33 2dks n GLU 107 Cb 0.61 0.62 -0.12 0.00 -0.02 0.00 0.00 31.44 32.53 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 -3.29 0.28 -0.28 3.49 8.01 -1.26 -3.42 118.70 122.23 2dks s GLU 108 Ca 0.03 0.41 -0.10 0.00 0.01 0.00 0.00 54.97 55.32 2dks s GLU 108 Cb -0.00 0.08 0.12 0.00 -4.31 0.00 0.00 34.13 30.02 2dks s GLU 108 CO 0.02 -0.07 0.61 0.54 0.01 0.00 0.00 175.26 176.36 2dks s VAL 109 N 0.44 -0.89 -0.65 2.63 0.11 -1.15 -5.00 120.40 115.89 2dks s VAL 109 Ca -0.03 0.03 -0.22 0.00 -2.93 0.00 0.00 61.98 58.84 2dks s VAL 109 Cb -0.04 -0.93 0.08 0.00 -1.53 0.00 0.00 36.38 33.95 2dks s VAL 109 CO -0.02 0.01 0.91 -0.89 -3.33 0.00 0.00 175.10 171.79 2dks s THR 110 N 2.79 4.43 -0.25 5.04 2.01 -1.26 -0.63 115.64 127.76 2dks s THR 110 Ca -0.05 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 61.45 2dks s THR 110 Cb -0.12 -4.65 0.06 0.00 0.01 0.00 0.00 72.50 67.80 2dks s THR 110 CO -0.18 -1.39 -0.10 -0.83 -0.69 0.00 0.00 174.62 171.43 2dks s GLY 111 N 3.67 1.58 0.21 4.40 0.00 0.21 -4.89 107.32 112.51 2dks s GLY 111 Ca 0.20 -1.67 0.02 0.00 0.00 0.00 0.00 44.72 43.27 2dks s GLY 111 CO 0.09 0.66 0.07 0.61 0.00 0.00 0.00 173.10 174.53 2dks n GLN 112 N 4.48 0.76 -3.14 2.90 0.00 -1.26 -4.11 117.38 117.01 2dks n GLN 112 Ca -0.14 -1.78 -0.10 0.00 0.00 0.00 0.00 57.00 54.98 2dks n GLN 112 Cb 0.43 0.96 -0.04 0.00 0.00 0.00 0.00 30.24 31.59 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 -0.47 -0.47 -4.57 2.61 -1.74 -1.26 -4.57 117.46 106.99 2dks n PHE 113 Ca -0.03 -1.45 -0.22 0.00 -0.56 0.00 0.00 57.45 55.19 2dks n PHE 113 Cb 0.32 0.16 -0.16 0.00 1.52 0.00 0.00 39.48 41.32 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 -2.21 1.58 -0.10 5.98 0.15 -1.23 -4.24 113.70 113.63 2dks s SER 114 Ca 0.20 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.61 2dks s SER 114 Cb 0.01 -0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 63.91 2dks s SER 114 CO 0.14 0.11 -0.09 -0.69 1.20 0.00 0.00 173.24 173.92 2dks s VAL 115 N 0.06 3.49 0.00 4.45 1.01 -1.26 -2.51 120.40 125.64 2dks s VAL 115 Ca -0.02 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.49 2dks s VAL 115 Cb -0.09 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 2dks s VAL 115 CO 0.01 0.56 -0.20 -1.38 0.00 0.00 0.00 175.10 174.09 2dks s HIS 116 N -0.29 1.76 -1.03 5.22 -3.43 -0.27 -4.70 115.29 112.55 2dks s HIS 116 Ca 0.03 -0.34 -0.24 0.00 -0.80 0.00 0.00 55.06 53.71 2dks s HIS 116 Cb -0.13 -1.11 -0.06 0.00 -1.43 0.00 0.00 32.58 29.85 2dks s HIS 116 CO 0.03 0.01 1.94 -1.25 -2.00 0.00 0.00 174.74 173.46 2dks s PRO 117 N -0.69 2.53 -0.61 -0.38 0.04 -1.26 -3.08 135.00 131.56 2dks s PRO 117 Ca 0.07 -0.68 -0.01 0.00 0.04 0.00 0.00 61.00 60.42 2dks s PRO 117 Cb -0.08 -5.14 0.45 0.00 0.04 0.00 0.00 34.50 29.77 2dks s PRO 117 CO 0.00 -3.64 2.02 -1.91 0.04 0.00 0.00 177.00 173.51 2dks n GLU 118 N 8.60 2.56 -3.70 4.56 4.07 -1.26 -4.90 120.64 130.57 2dks n GLU 118 Ca 0.42 -3.10 -0.14 0.00 -0.06 0.00 0.00 57.16 54.29 2dks n GLU 118 Cb 0.47 -2.21 -0.09 0.00 -0.06 0.00 0.00 31.44 29.54 2dks n GLU 118 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 2dks s THR 119 N -4.43 0.01 0.64 6.31 -1.32 -1.26 -5.00 115.64 110.59 2dks s THR 119 Ca 0.61 -0.06 -0.16 0.00 -1.21 0.00 0.00 61.69 60.87 2dks s THR 119 Cb 0.48 -0.70 -0.01 0.00 -1.51 0.00 0.00 72.50 70.76 2dks s THR 119 CO 0.00 -0.03 1.11 -2.16 -2.21 0.00 0.00 174.62 171.33 2dks s PRO 120 N -0.05 2.88 0.07 7.08 0.04 -1.26 -5.06 135.00 138.70 2dks s PRO 120 Ca -0.03 1.42 0.05 0.00 0.04 0.00 0.00 61.00 62.48 2dks s PRO 120 Cb -0.03 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2dks s PRO 120 CO 0.02 -1.20 -0.04 -1.59 0.04 0.00 0.00 177.00 174.23 2dks s LYS 121 N -3.99 2.45 -0.86 4.56 -2.85 -1.26 -5.05 119.74 112.76 2dks s LYS 121 Ca 0.68 -0.85 -0.25 0.00 -1.00 0.00 0.00 55.97 54.55 2dks s LYS 121 Cb -0.21 -2.48 -0.04 0.00 -2.06 0.00 0.00 37.83 33.04 2dks s LYS 121 CO 0.40 0.55 1.93 -1.25 0.10 0.00 0.00 175.35 177.08 2dks s PRO 122 N -2.04 2.57 -0.59 1.78 0.04 -1.26 -4.92 135.00 130.59 2dks s PRO 122 Ca 0.22 -0.15 -0.27 0.00 0.04 0.00 0.00 61.00 60.85 2dks s PRO 122 Cb -0.11 -4.95 -0.02 0.00 0.04 0.00 0.00 34.50 29.45 2dks s PRO 122 CO 0.14 -3.27 1.85 -1.12 0.04 0.00 0.00 177.00 174.63 2dks s SER 123 N 8.04 5.34 0.01 6.66 0.01 -1.26 -4.94 113.70 127.56 2dks s SER 123 Ca 0.70 0.42 0.01 0.00 1.31 0.00 0.00 55.95 58.39 2dks s SER 123 Cb -0.08 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 2dks s SER 123 CO 0.03 -2.30 -0.03 0.27 0.41 0.00 0.00 173.24 171.61 2dks s ILE 124 N 8.82 0.19 -0.36 1.44 -5.25 -1.26 -5.13 121.20 119.66 2dks s ILE 124 Ca 0.68 -0.42 -0.09 0.00 -0.99 0.00 0.00 60.65 59.83 2dks s ILE 124 Cb -0.13 -0.23 0.04 0.00 2.95 0.00 0.00 42.46 45.08 2dks s ILE 124 CO 0.22 -0.15 0.16 -0.44 -1.79 0.00 0.00 174.94 172.94 2dks s SER 125 N -0.60 5.52 0.46 4.36 0.01 -1.26 -5.08 113.70 117.10 2dks s SER 125 Ca -0.05 -1.10 0.06 0.00 1.31 0.00 0.00 55.95 56.16 2dks s SER 125 Cb -0.04 -1.94 -0.03 0.00 0.21 0.00 0.00 66.02 64.22 2dks s SER 125 CO -0.00 -0.37 0.17 -0.83 0.41 0.00 0.00 173.24 172.62 2dks s GLY 126 N 1.51 2.51 0.23 3.44 0.00 -1.26 -5.02 107.32 108.74 2dks s GLY 126 Ca 0.00 -1.60 0.23 0.00 0.00 0.00 0.00 44.72 43.35 2dks s GLY 126 CO 0.04 -2.00 1.68 -1.55 0.00 0.00 0.00 173.10 171.28 2dks n PRO 127 N -1.31 0.17 -4.29 2.90 -0.04 -1.26 -4.80 135.00 126.37 2dks n PRO 127 Ca -0.06 0.41 -0.17 0.00 -0.04 0.00 0.00 63.50 63.65 2dks n PRO 127 Cb 0.65 -1.84 -0.10 0.00 -0.04 0.00 0.00 33.50 32.18 2dks n PRO 127 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dks s SER 128 N -4.12 1.11 0.26 3.54 0.15 -1.26 -5.18 113.70 108.21 2dks s SER 128 Ca 0.04 -1.48 0.01 0.00 0.70 0.00 0.00 55.95 55.22 2dks s SER 128 Cb 0.09 0.34 -0.05 0.00 -1.71 0.00 0.00 66.02 64.69 2dks s SER 128 CO 0.37 -0.84 0.10 -0.94 1.20 0.00 0.00 173.24 173.13 2dks s SER 129 N -3.31 1.22 0.00 5.45 1.04 -1.26 -5.08 113.70 111.77 2dks s SER 129 Ca 0.37 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.41 2dks s SER 129 Cb 0.06 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.36 2dks s SER 129 CO 0.16 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.25