#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dks h SER 2 N 0.00 0.00 -4.85 1.61 0.02 -2.07 -3.49 113.55 104.77 2dks h SER 2 Ca 0.00 -0.43 -0.30 0.00 -0.84 0.00 0.00 61.79 60.22 2dks h SER 2 Cb 0.00 0.00 0.12 0.00 0.14 0.00 0.00 62.40 62.66 2dks h SER 2 CO 0.00 1.24 -0.55 -0.24 -1.14 0.00 0.00 176.83 176.14 2dks n SER 3 N -4.50 -4.70 0.00 3.07 2.88 -1.26 -4.90 113.62 104.21 2dks n SER 3 Ca -0.23 -0.44 0.00 0.00 -1.33 0.00 0.00 58.87 56.87 2dks n SER 3 Cb 0.54 -4.11 0.00 0.00 -0.75 0.00 0.00 64.21 59.89 2dks n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dks n GLY 4 N -1.57 1.10 2.94 0.46 0.00 -1.26 -5.14 105.19 101.72 2dks n GLY 4 Ca -0.05 0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 2dks n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dks s SER 5 N 1.59 1.83 1.24 1.61 1.04 -1.26 -5.14 113.70 114.61 2dks s SER 5 Ca 0.00 -0.26 -0.14 0.00 0.48 0.00 0.00 55.95 56.02 2dks s SER 5 Cb 0.00 -0.76 0.32 0.00 0.10 0.00 0.00 66.02 65.68 2dks s SER 5 CO 0.00 -0.06 0.99 -1.20 0.98 0.00 0.00 173.24 173.95 2dks n SER 6 N 4.42 -2.24 0.01 7.02 7.64 -1.26 -4.99 113.62 124.23 2dks n SER 6 Ca -0.18 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.40 2dks n SER 6 Cb 0.51 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 2dks n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dks n GLY 7 N 1.19 -0.53 3.64 0.23 0.00 -1.26 -5.11 105.19 103.36 2dks n GLY 7 Ca 0.03 0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 4.90 -0.05 2.61 -4.23 -1.26 -5.08 115.64 110.52 2dks s THR 8 Ca 0.00 0.01 -0.26 0.00 -1.18 0.00 0.00 61.69 60.26 2dks s THR 8 Cb 0.00 -3.22 -0.03 0.00 1.34 0.00 0.00 72.50 70.58 2dks s THR 8 CO 0.00 0.44 0.81 0.00 -0.54 0.00 0.00 174.62 175.33 2dks s ALA 9 N 0.51 3.30 -0.08 3.99 0.00 -1.26 -5.05 121.76 123.16 2dks s ALA 9 Ca 0.04 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.28 2dks s ALA 9 Cb -0.12 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 19.90 2dks s ALA 9 CO 0.01 -0.21 -0.10 1.14 0.00 0.00 0.00 175.76 176.60 2dks s GLN 10 N 1.02 1.60 -0.46 0.00 -2.07 -1.26 -5.02 119.66 113.47 2dks s GLN 10 Ca 0.43 -0.34 -0.42 0.00 -1.82 0.00 0.00 55.36 53.20 2dks s GLN 10 Cb -0.19 -1.46 -0.17 0.00 -1.09 0.00 0.00 33.01 30.10 2dks s GLN 10 CO 0.21 -0.09 2.14 -0.11 -1.32 0.00 0.00 175.29 176.12 2dks n LEU 11 N 4.26 1.08 -4.43 2.60 7.94 -1.25 -4.63 117.00 122.56 2dks n LEU 11 Ca -0.19 0.63 -0.21 0.00 -1.11 0.00 0.00 56.01 55.12 2dks n LEU 11 Cb 0.51 -0.98 -0.10 0.00 0.53 0.00 0.00 43.42 43.37 2dks n LEU 11 CO 0.22 -0.76 -0.25 0.28 -1.11 0.00 0.00 177.39 175.77 2dks s THR 12 N 6.25 0.94 -0.06 1.96 -1.32 -1.09 -4.73 115.64 117.59 2dks s THR 12 Ca 1.17 -2.00 -0.04 0.00 -1.21 0.00 0.00 61.69 59.61 2dks s THR 12 Cb -1.35 -2.68 0.02 0.00 -1.51 0.00 0.00 72.50 66.99 2dks s THR 12 CO 0.62 0.00 0.14 -0.63 -2.21 0.00 0.00 174.62 172.54 2dks s ILE 13 N -3.38 -0.02 -0.20 5.08 1.01 -1.26 -1.65 121.20 120.78 2dks s ILE 13 Ca 0.34 0.08 0.00 0.00 0.00 0.00 0.00 60.65 61.07 2dks s ILE 13 Cb 0.07 -0.21 0.05 0.00 0.01 0.00 0.00 42.46 42.38 2dks s ILE 13 CO 0.15 0.03 -0.08 -0.70 0.00 0.00 0.00 174.94 174.34 2dks s GLU 14 N 0.54 1.76 0.27 2.79 2.12 -0.20 -4.85 118.70 121.13 2dks s GLU 14 Ca -0.04 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 54.22 2dks s GLU 14 Cb -0.05 -2.33 -0.10 0.00 0.26 0.00 0.00 34.13 31.90 2dks s GLU 14 CO -0.02 -0.47 1.46 0.00 -0.54 0.00 0.00 175.26 175.69 2dks s ALA 15 N 1.47 3.64 -0.19 6.30 0.00 -1.26 -1.68 121.76 130.04 2dks s ALA 15 Ca -0.02 1.38 -0.04 0.00 0.00 0.00 0.00 51.96 53.28 2dks s ALA 15 Cb -0.16 -3.57 0.06 0.00 0.00 0.00 0.00 23.12 19.45 2dks s ALA 15 CO -0.08 -0.80 0.08 0.08 0.00 0.00 0.00 175.76 175.05 2dks s VAL 16 N -0.16 0.05 1.23 0.00 1.01 0.91 -2.91 120.40 120.52 2dks s VAL 16 Ca 0.59 -0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.07 2dks s VAL 16 Cb -0.43 -0.71 0.30 0.00 0.00 0.00 0.00 36.38 35.54 2dks s VAL 16 CO 0.46 -0.30 1.11 -2.16 0.00 0.00 0.00 175.10 174.21 2dks s PRO 17 N 2.07 -1.43 0.06 2.72 0.04 -1.26 0.18 135.00 137.38 2dks s PRO 17 Ca 0.02 -0.15 0.14 0.00 0.04 0.00 0.00 61.00 61.05 2dks s PRO 17 Cb -0.16 -1.58 -0.15 0.00 0.04 0.00 0.00 34.50 32.65 2dks s PRO 17 CO -0.11 -3.84 0.91 1.03 0.04 0.00 0.00 177.00 175.03 2dks h SER 18 N -2.67 0.00 -2.96 6.66 0.87 -1.91 -3.43 113.55 110.11 2dks h SER 18 Ca -0.43 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.53 2dks h SER 18 Cb 1.29 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 62.85 2dks h SER 18 CO 0.31 0.75 -0.81 0.54 -0.53 0.00 0.00 176.83 177.09 2dks s ASN 19 N -6.07 3.16 0.58 6.23 2.20 -1.26 -3.57 114.94 116.20 2dks s ASN 19 Ca -0.02 -2.51 -0.03 0.00 -0.94 0.00 0.00 52.86 49.36 2dks s ASN 19 Cb 0.08 -0.71 0.02 0.00 -2.00 0.00 0.00 41.25 38.65 2dks s ASN 19 CO 0.81 -0.27 0.85 0.00 -2.94 0.00 0.00 177.10 175.55 2dks s ALA 20 N 0.59 3.50 0.13 3.54 0.00 -1.14 -4.87 121.76 123.51 2dks s ALA 20 Ca 0.20 -0.97 0.07 0.00 0.00 0.00 0.00 51.96 51.26 2dks s ALA 20 Cb -0.20 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 2dks s ALA 20 CO -0.02 -0.81 -0.05 0.00 0.00 0.00 0.00 175.76 174.88 2dks s ALA 21 N -2.91 3.09 0.03 0.00 0.00 -1.26 -1.66 121.76 119.06 2dks s ALA 21 Ca 0.55 -1.29 -0.39 0.00 0.00 0.00 0.00 51.96 50.83 2dks s ALA 21 Cb -0.10 -0.96 -0.19 0.00 0.00 0.00 0.00 23.12 21.87 2dks s ALA 21 CO 0.42 0.58 1.15 0.39 0.00 0.00 0.00 175.76 178.29 2dks n GLU 22 N 0.32 0.37 0.00 0.00 1.02 -1.26 0.31 120.64 121.40 2dks n GLU 22 Ca -0.11 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2dks n GLU 22 Cb 0.54 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 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 1.83 1.82 3.96 0.62 0.00 0.16 -4.95 105.19 108.64 2dks n GLY 23 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.59 1.29 0.06 1.61 -0.14 0.15 -4.10 119.74 118.01 2dks s LYS 24 Ca 0.00 -0.77 0.08 0.00 -1.36 0.00 0.00 55.97 53.92 2dks s LYS 24 Cb 0.00 -2.12 -0.03 0.00 -1.68 0.00 0.00 37.83 34.00 2dks s LYS 24 CO 0.00 -1.83 -0.20 -1.21 -0.76 0.00 0.00 175.35 171.35 2dks s GLU 25 N -5.45 1.94 -0.05 1.68 8.01 -1.26 -0.34 118.70 123.23 2dks s GLU 25 Ca 0.69 -1.06 0.04 0.00 0.01 0.00 0.00 54.97 54.66 2dks s GLU 25 Cb -0.05 -2.12 -0.00 0.00 -4.31 0.00 0.00 34.13 27.65 2dks s GLU 25 CO 0.48 0.52 -0.18 0.08 0.01 0.00 0.00 175.26 176.17 2dks s VAL 26 N -0.93 1.49 -0.37 2.63 1.01 0.35 -4.51 120.40 120.07 2dks s VAL 26 Ca 0.14 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 2dks s VAL 26 Cb -0.10 -1.28 0.07 0.00 0.00 0.00 0.00 36.38 35.07 2dks s VAL 26 CO 0.05 0.43 0.14 -0.22 0.00 0.00 0.00 175.10 175.50 2dks s LEU 27 N 0.03 4.69 -0.99 3.92 2.96 0.13 0.39 118.68 129.81 2dks s LEU 27 Ca -0.04 -1.55 -0.22 0.00 -0.22 0.00 0.00 54.13 52.09 2dks s LEU 27 Cb -0.12 -1.84 0.06 0.00 0.50 0.00 0.00 46.19 44.80 2dks s LEU 27 CO 0.02 -0.43 1.38 -0.76 -1.32 0.00 0.00 176.35 175.25 2dks s LEU 28 N 1.28 3.75 0.75 -0.68 1.43 -0.37 -0.07 118.68 124.78 2dks s LEU 28 Ca 0.02 -1.50 -0.11 0.00 -1.03 0.00 0.00 54.13 51.51 2dks s LEU 28 Cb -0.21 -2.54 0.05 0.00 0.03 0.00 0.00 46.19 43.51 2dks s LEU 28 CO -0.01 -1.45 1.10 -0.76 0.23 0.00 0.00 176.35 175.46 2dks s LEU 29 N 4.63 3.10 -0.04 1.79 1.43 -0.68 -2.90 118.68 126.01 2dks s LEU 29 Ca 0.43 1.87 0.02 0.00 -1.03 0.00 0.00 54.13 55.42 2dks s LEU 29 Cb -0.01 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.69 2dks s LEU 29 CO -0.09 -2.00 -0.06 -0.69 0.23 0.00 0.00 176.35 173.75 2dks s VAL 30 N -2.78 0.62 0.47 -1.59 1.01 -1.26 -1.03 120.40 115.84 2dks s VAL 30 Ca 0.63 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.43 2dks s VAL 30 Cb -0.18 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 2dks s VAL 30 CO 0.53 0.22 0.05 -1.00 0.00 0.00 0.00 175.10 174.90 2dks s HIS 31 N 0.59 2.17 -1.30 5.22 0.09 -0.66 -4.69 115.29 116.72 2dks s HIS 31 Ca -0.08 -0.81 0.00 0.00 -0.00 0.00 0.00 55.06 54.17 2dks s HIS 31 Cb -0.12 -1.73 0.00 0.00 -0.00 0.00 0.00 32.58 30.74 2dks s HIS 31 CO 0.01 0.27 0.00 0.09 -0.00 0.00 0.00 174.74 175.10 2dks n ASN 32 N -1.18 -4.00 -4.28 1.40 3.02 -1.26 -2.69 115.26 106.28 2dks n ASN 32 Ca -0.11 0.23 -0.34 0.00 -0.03 0.00 0.00 54.58 54.33 2dks n ASN 32 Cb 0.67 -3.51 0.10 0.00 -0.61 0.00 0.00 39.78 36.43 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 -2.46 -2.13 0.00 3.41 4.77 -1.26 -3.97 117.00 115.36 2dks n LEU 33 Ca -0.15 0.25 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 2dks n LEU 33 Cb 0.55 -1.04 0.11 0.00 -2.33 0.00 0.00 43.42 40.71 2dks n LEU 33 CO 0.20 -4.30 0.26 -0.81 -1.33 0.00 0.00 177.39 171.41 2dks n PRO 34 N -0.38 -1.96 -0.07 3.23 -0.04 -1.26 -4.99 135.00 129.53 2dks n PRO 34 Ca 0.04 -0.76 -0.09 0.00 -0.04 0.00 0.00 63.50 62.65 2dks n PRO 34 Cb 0.55 -0.71 -0.06 0.00 -0.04 0.00 0.00 33.50 33.24 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 -2.85 0.54 3.07 -2.00 -3.43 115.11 110.45 2dks h GLN 35 Ca -0.18 0.00 -0.61 0.00 0.09 0.00 0.00 58.65 57.95 2dks h GLN 35 Cb 0.55 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 27.70 2dks h GLN 35 CO 0.12 0.43 -0.73 -0.51 0.09 0.00 0.00 178.83 178.23 2dks s ASP 36 N -6.02 3.51 -1.10 0.06 1.11 -1.26 -5.05 116.67 107.92 2dks s ASP 36 Ca -0.14 -3.36 -0.23 0.00 0.18 0.00 0.00 52.55 49.00 2dks s ASP 36 Cb 0.01 -1.14 -0.08 0.00 1.07 0.00 0.00 42.92 42.78 2dks s ASP 36 CO 0.34 -0.15 1.94 -2.16 1.18 0.00 0.00 175.17 176.31 2dks s PRO 37 N -0.61 2.51 0.38 8.23 0.04 -1.26 -1.73 135.00 142.57 2dks s PRO 37 Ca 0.26 -0.90 0.28 0.00 0.04 0.00 0.00 61.00 60.68 2dks s PRO 37 Cb -0.06 -5.19 1.31 0.00 0.04 0.00 0.00 34.50 30.60 2dks s PRO 37 CO -0.14 -3.80 1.38 -2.13 0.04 0.00 0.00 177.00 172.35 2dks n ARG 38 N 8.46 -0.03 -3.64 4.56 0.63 0.75 -4.55 116.66 122.84 2dks n ARG 38 Ca 0.43 1.11 -0.03 0.00 -0.92 0.00 0.00 57.85 58.45 2dks n ARG 38 Cb 0.47 -2.18 -0.04 0.00 0.45 0.00 0.00 32.46 31.15 2dks n ARG 38 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2dks s GLY 39 N -4.12 0.07 0.19 5.14 0.00 -1.06 -1.34 107.32 106.20 2dks s GLY 39 Ca -0.07 2.80 -0.03 0.00 0.00 0.00 0.00 44.72 47.42 2dks s GLY 39 CO 0.72 1.13 0.41 -0.19 0.00 0.00 0.00 173.10 175.17 2dks s TYR 40 N -0.99 3.48 -0.24 1.90 2.02 0.12 -1.31 117.35 122.32 2dks s TYR 40 Ca 0.08 0.50 -0.02 0.00 -0.37 0.00 0.00 57.07 57.25 2dks s TYR 40 Cb -0.01 -1.97 0.13 0.00 -0.40 0.00 0.00 41.96 39.71 2dks s TYR 40 CO -0.07 0.37 0.36 -0.80 -1.57 0.00 0.00 175.55 173.83 2dks s ASN 41 N -2.81 0.42 0.40 2.29 0.01 0.58 -0.71 114.94 115.12 2dks s ASN 41 Ca 0.41 0.10 -0.01 0.00 -0.71 0.00 0.00 52.86 52.65 2dks s ASN 41 Cb -0.11 1.02 -0.03 0.00 0.41 0.00 0.00 41.25 42.53 2dks s ASN 41 CO 0.27 -0.31 0.63 0.26 -1.51 0.00 0.00 177.10 176.44 2dks s TRP 42 N 2.52 3.50 0.09 2.20 0.52 0.11 0.44 118.94 128.33 2dks s TRP 42 Ca 0.12 0.49 -0.11 0.00 0.02 0.00 0.00 56.10 56.62 2dks s TRP 42 Cb -0.15 -2.05 0.01 0.00 -1.15 0.00 0.00 33.47 30.13 2dks s TRP 42 CO -0.17 -0.03 0.24 0.71 0.02 0.00 0.00 176.95 177.72 2dks s TYR 43 N -2.47 0.06 -0.75 -1.98 1.51 0.17 -2.04 117.35 111.84 2dks s TYR 43 Ca 0.43 -0.44 -0.06 0.00 -1.01 0.00 0.00 57.07 55.98 2dks s TYR 43 Cb -0.10 0.02 0.19 0.00 -0.11 0.00 0.00 41.96 41.97 2dks s TYR 43 CO 0.39 -0.58 0.62 0.21 -1.11 0.00 0.00 175.55 175.08 2dks s LYS 44 N -3.77 3.05 0.00 -0.62 2.20 0.15 -2.33 119.74 118.42 2dks s LYS 44 Ca 0.04 -2.66 0.00 0.00 -0.36 0.00 0.00 55.97 52.99 2dks s LYS 44 Cb 0.04 -4.01 0.00 0.00 -1.51 0.00 0.00 37.83 32.35 2dks s LYS 44 CO -0.11 -1.23 0.00 0.41 -0.36 0.00 0.00 175.35 174.07 2dks n GLY 45 N 3.41 2.06 1.40 5.54 0.00 0.11 -4.80 105.19 112.92 2dks n GLY 45 Ca 0.12 -1.63 -0.06 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.71 1.32 -3.62 1.61 1.02 -1.26 -2.66 120.64 115.33 2dks n GLU 46 Ca 0.00 -0.72 -0.13 0.00 -0.02 0.00 0.00 57.16 56.29 2dks n GLU 46 Cb 0.00 -1.28 -0.06 0.00 -0.02 0.00 0.00 31.44 30.08 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 -0.87 0.05 -1.12 2.62 -4.23 -1.26 -5.05 115.64 105.77 2dks s THR 47 Ca 0.14 -0.37 -0.03 0.00 -1.18 0.00 0.00 61.69 60.24 2dks s THR 47 Cb 0.11 -0.99 0.21 0.00 1.34 0.00 0.00 72.50 73.17 2dks s THR 47 CO 0.02 -0.21 2.18 0.52 -0.54 0.00 0.00 174.62 176.59 2dks n VAL 48 N 0.37 5.38 -3.56 2.29 0.31 -1.26 -4.74 118.33 117.11 2dks n VAL 48 Ca -0.18 -4.89 -0.38 0.00 -0.01 0.00 0.00 64.34 58.88 2dks n VAL 48 Cb 0.61 -1.79 -0.06 0.00 -0.91 0.00 0.00 33.84 31.68 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 -0.38 6.68 0.34 4.52 -1.08 -1.26 -4.98 116.67 120.51 2dks s ASP 49 Ca 0.48 0.81 0.02 0.00 -0.52 0.00 0.00 52.55 53.34 2dks s ASP 49 Cb 0.21 -2.21 0.61 0.00 -1.46 0.00 0.00 42.92 40.08 2dks s ASP 49 CO -0.13 0.30 1.99 0.00 0.52 0.00 0.00 175.17 177.84 2dks h ALA 50 N 5.11 1.55 0.00 3.66 0.00 -1.96 0.09 119.26 127.71 2dks h ALA 50 Ca -0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2dks h ALA 50 Cb 1.21 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2dks h ALA 50 CO 0.63 0.39 0.00 -0.91 0.00 0.00 0.00 179.25 179.36 2dks h ASN 51 N 0.90 0.00 -0.01 0.00 2.35 -2.00 -0.51 115.58 116.31 2dks h ASN 51 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2dks h ASN 51 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2dks h ASN 51 CO -0.07 0.00 -0.19 0.54 -1.65 0.00 0.00 177.43 176.06 2dks n ARG 52 N -2.79 1.89 -1.63 0.81 5.12 -0.12 -4.63 116.66 115.30 2dks n ARG 52 Ca -0.02 -0.67 -0.46 0.00 -1.93 0.00 0.00 57.85 54.76 2dks n ARG 52 Cb 0.09 -1.11 -0.04 0.00 -1.16 0.00 0.00 32.46 30.24 2dks n ARG 52 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2dks n ARG 53 N -0.15 2.16 -0.06 5.56 0.63 -0.20 0.29 116.66 124.89 2dks n ARG 53 Ca 0.05 0.74 -0.09 0.00 -0.92 0.00 0.00 57.85 57.63 2dks n ARG 53 Cb 0.22 -2.82 -0.08 0.00 0.45 0.00 0.00 32.46 30.23 2dks n ARG 53 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2dks h ILE 54 N 6.04 0.99 -1.91 5.15 2.04 -1.66 -2.66 117.51 125.50 2dks h ILE 54 Ca -0.45 -1.77 0.07 0.00 1.00 0.00 0.00 64.86 63.70 2dks h ILE 54 Cb 1.26 1.90 -0.19 0.00 -0.74 0.00 0.00 36.82 39.05 2dks h ILE 54 CO 0.96 0.34 0.47 -0.51 0.00 0.00 0.00 178.15 179.40 2dks s ILE 55 N -1.98 0.00 -0.10 -0.67 2.07 -1.23 -1.84 121.20 117.46 2dks s ILE 55 Ca -0.12 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.08 2dks s ILE 55 Cb -0.01 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.63 2dks s ILE 55 CO 0.40 0.00 0.20 -0.83 -1.91 0.00 0.00 174.94 172.81 2dks s GLY 56 N -1.62 -0.03 -0.20 1.50 0.00 -0.91 0.08 107.32 106.14 2dks s GLY 56 Ca -0.01 0.73 -0.05 0.00 0.00 0.00 0.00 44.72 45.39 2dks s GLY 56 CO -0.01 1.71 0.01 -0.47 0.00 0.00 0.00 173.10 174.34 2dks s TYR 57 N 2.20 3.06 -0.43 1.90 5.04 0.11 -0.71 117.35 128.53 2dks s TYR 57 Ca 0.01 -0.39 -0.19 0.00 -2.44 0.00 0.00 57.07 54.06 2dks s TYR 57 Cb -0.12 -2.08 0.02 0.00 0.35 0.00 0.00 41.96 40.13 2dks s TYR 57 CO -0.07 -0.19 0.53 0.08 -1.34 0.00 0.00 175.55 174.57 2dks s VAL 58 N 0.91 4.96 0.21 3.14 1.01 0.47 0.13 120.40 131.24 2dks s VAL 58 Ca 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 2dks s VAL 58 Cb -0.14 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2dks s VAL 58 CO 0.02 -0.51 1.59 0.40 0.00 0.00 0.00 175.10 176.60 2dks h ILE 59 N 5.80 1.29 -0.72 2.22 2.04 -1.45 1.63 117.51 128.32 2dks h ILE 59 Ca -0.26 -1.51 -0.01 0.00 1.00 0.00 0.00 64.86 64.08 2dks h ILE 59 Cb 1.10 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 2dks h ILE 59 CO 0.84 0.49 0.41 0.28 0.00 0.00 0.00 178.15 180.17 2dks h SER 60 N 0.54 0.89 -0.39 1.72 0.02 -1.50 -2.81 113.55 112.02 2dks h SER 60 Ca 0.05 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2dks h SER 60 Cb 0.87 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.19 2dks h SER 60 CO 0.08 0.72 0.00 -3.20 -1.14 0.00 0.00 176.83 173.28 2dks n ASN 61 N -4.50 3.21 -3.96 3.07 5.15 -1.17 -4.98 115.26 112.09 2dks n ASN 61 Ca 0.06 -2.12 -0.27 0.00 -0.60 0.00 0.00 54.58 51.65 2dks n ASN 61 Cb 0.08 -0.31 -0.06 0.00 -0.53 0.00 0.00 39.78 38.96 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 0.56 -0.85 -4.65 1.20 6.02 0.54 -4.91 117.38 115.30 2dks n GLN 62 Ca 0.15 0.05 -0.26 0.00 -0.01 0.00 0.00 57.00 56.93 2dks n GLN 62 Cb 0.51 -2.65 -0.17 0.00 1.02 0.00 0.00 30.24 28.96 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 -6.58 1.87 -0.26 -1.09 0.74 -0.40 -4.94 119.66 109.01 2dks s GLN 63 Ca 0.07 -0.47 -0.12 0.00 0.05 0.00 0.00 55.36 54.89 2dks s GLN 63 Cb -0.04 -1.53 -0.05 0.00 1.10 0.00 0.00 33.01 32.50 2dks s GLN 63 CO 0.79 0.04 0.23 0.42 -0.55 0.00 0.00 175.29 176.22 2dks s ILE 64 N 0.65 5.29 -0.36 -2.34 1.01 -1.26 -0.39 121.20 123.80 2dks s ILE 64 Ca -0.15 0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.81 2dks s ILE 64 Cb -0.16 -3.57 0.10 0.00 0.01 0.00 0.00 42.46 38.85 2dks s ILE 64 CO 0.04 0.26 0.09 -0.89 0.00 0.00 0.00 174.94 174.44 2dks s THR 65 N 1.56 2.54 0.20 2.92 2.01 0.12 -5.01 115.64 119.98 2dks s THR 65 Ca 0.09 -2.27 -0.30 0.00 0.31 0.00 0.00 61.69 59.53 2dks s THR 65 Cb -0.15 -2.83 -0.09 0.00 0.01 0.00 0.00 72.50 69.44 2dks s THR 65 CO 0.09 -0.62 1.30 -2.16 -0.69 0.00 0.00 174.62 172.54 2dks s PRO 66 N 0.96 4.39 0.00 4.92 0.04 -1.26 -2.14 135.00 141.92 2dks s PRO 66 Ca 0.10 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2dks s PRO 66 Cb -0.20 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2dks s PRO 66 CO -0.07 -0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.14 2dks n GLY 67 N 2.31 0.29 0.19 0.56 0.00 -0.77 -4.96 105.19 102.82 2dks n GLY 67 Ca 0.06 -1.88 -0.03 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 0.28 -1.27 1.61 0.13 -1.78 -3.04 132.00 127.93 2dks h PRO 68 Ca 0.00 -0.15 -0.17 0.00 -0.87 0.00 0.00 66.00 64.82 2dks h PRO 68 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.05 2dks h PRO 68 CO 0.00 0.69 0.21 0.00 -0.23 0.00 0.00 178.00 178.67 2dks n ALA 69 N -2.48 3.88 -2.86 -0.56 0.00 -1.02 -4.84 120.51 112.64 2dks n ALA 69 Ca -0.02 -0.89 -0.33 0.00 0.00 0.00 0.00 53.44 52.20 2dks n ALA 69 Cb 0.52 -1.16 -0.13 0.00 0.00 0.00 0.00 19.45 18.67 2dks n ALA 69 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2dks s TYR 70 N -1.00 2.82 -0.10 0.00 5.04 -1.15 -4.58 117.35 118.38 2dks s TYR 70 Ca 0.17 -0.41 0.19 0.00 -2.44 0.00 0.00 57.07 54.59 2dks s TYR 70 Cb 0.14 -1.79 0.43 0.00 0.35 0.00 0.00 41.96 41.09 2dks s TYR 70 CO 0.02 -0.03 1.19 -1.13 -1.34 0.00 0.00 175.55 174.26 2dks n SER 71 N 3.08 1.35 -2.12 4.32 3.41 -1.26 -4.96 113.62 117.44 2dks n SER 71 Ca -0.18 -2.83 -0.16 0.00 -0.26 0.00 0.00 58.87 55.45 2dks n SER 71 Cb 0.53 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 2dks n SER 71 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2dks n ASN 72 N -0.22 -4.53 -0.00 4.04 3.02 -1.26 -4.78 115.26 111.52 2dks n ASN 72 Ca 0.12 0.20 0.04 0.00 -0.03 0.00 0.00 54.58 54.91 2dks n ASN 72 Cb 0.95 -3.91 -0.05 0.00 -0.61 0.00 0.00 39.78 36.16 2dks n ASN 72 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2dks n ARG 73 N -2.62 2.29 -4.40 3.52 1.74 -1.26 -5.00 116.66 110.92 2dks n ARG 73 Ca -0.18 -0.04 -0.33 0.00 -0.77 0.00 0.00 57.85 56.53 2dks n ARG 73 Cb 0.60 -1.04 -0.10 0.00 -1.02 0.00 0.00 32.46 30.91 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 -2.16 2.78 -0.04 5.56 8.01 -1.26 -1.37 118.70 130.22 2dks s GLU 74 Ca -0.00 -0.57 0.02 0.00 0.01 0.00 0.00 54.97 54.42 2dks s GLU 74 Cb 0.06 -2.65 0.01 0.00 -4.31 0.00 0.00 34.13 27.24 2dks s GLU 74 CO 0.33 0.65 -0.08 0.99 0.01 0.00 0.00 175.26 177.16 2dks s THR 75 N -0.97 0.73 0.67 3.63 2.01 -0.91 -4.95 115.64 115.85 2dks s THR 75 Ca 0.16 -0.29 -0.10 0.00 0.31 0.00 0.00 61.69 61.77 2dks s THR 75 Cb -0.11 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.72 2dks s THR 75 CO 0.06 0.25 1.05 -0.63 -0.69 0.00 0.00 174.62 174.66 2dks s ILE 76 N 0.47 3.74 0.21 1.82 1.09 -1.26 -0.59 121.20 126.67 2dks s ILE 76 Ca -0.07 0.47 0.06 0.00 -1.10 0.00 0.00 60.65 60.01 2dks s ILE 76 Cb -0.11 -3.55 -0.05 0.00 -1.06 0.00 0.00 42.46 37.69 2dks s ILE 76 CO 0.01 -0.70 -0.09 -0.31 -0.10 0.00 0.00 174.94 173.75 2dks s TYR 77 N -3.27 1.59 -2.00 3.97 1.51 0.13 -4.89 117.35 114.40 2dks s TYR 77 Ca 0.57 -0.72 0.12 0.00 -1.01 0.00 0.00 57.07 56.03 2dks s TYR 77 Cb -0.11 -0.83 0.72 0.00 -0.11 0.00 0.00 41.96 41.64 2dks s TYR 77 CO 0.51 0.19 1.15 -0.35 -1.11 0.00 0.00 175.55 175.94 2dks n PRO 78 N -0.37 0.49 -0.03 -1.71 -0.04 -1.26 -1.85 135.00 130.22 2dks n PRO 78 Ca -0.08 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.42 2dks n PRO 78 Cb 0.62 -1.39 0.05 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.89 2.12 -0.55 3.54 3.02 -1.26 -4.96 115.26 116.28 2dks n ASN 79 Ca 0.09 -2.42 -0.05 0.00 -0.03 0.00 0.00 54.58 52.17 2dks n ASN 79 Cb 0.04 -0.17 -0.01 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.86 -0.14 -2.77 5.41 0.00 -0.77 -4.48 120.51 116.89 2dks n ALA 80 Ca 0.06 0.05 -0.32 0.00 0.00 0.00 0.00 53.44 53.24 2dks n ALA 80 Cb 0.41 -0.92 -0.07 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.81 5.57 -0.13 0.00 0.01 -1.25 -4.69 113.70 110.39 2dks s SER 81 Ca 0.00 0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.34 2dks s SER 81 Cb 0.00 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.69 2dks s SER 81 CO 0.00 0.22 -0.20 -0.22 0.41 0.00 0.00 173.24 173.45 2dks s LEU 82 N -2.06 2.26 -0.39 2.44 2.96 -1.14 0.19 118.68 122.94 2dks s LEU 82 Ca 0.26 -0.53 -0.13 0.00 -0.22 0.00 0.00 54.13 53.51 2dks s LEU 82 Cb -0.12 -1.48 0.02 0.00 0.50 0.00 0.00 46.19 45.11 2dks s LEU 82 CO 0.18 0.11 0.25 -0.22 -1.32 0.00 0.00 176.35 175.35 2dks s LEU 83 N 0.64 4.87 -0.10 -0.68 2.96 0.24 -1.23 118.68 125.38 2dks s LEU 83 Ca -0.10 -0.90 -0.23 0.00 -0.22 0.00 0.00 54.13 52.68 2dks s LEU 83 Cb -0.16 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 2dks s LEU 83 CO 0.02 -0.40 0.70 -0.32 -1.32 0.00 0.00 176.35 175.03 2dks s MET 84 N 1.63 4.39 -0.08 1.98 -2.45 0.16 -2.14 119.30 122.79 2dks s MET 84 Ca 0.04 0.84 -0.01 0.00 -1.25 0.00 0.00 55.69 55.30 2dks s MET 84 Cb -0.19 -3.48 -0.03 0.00 1.25 0.00 0.00 34.83 32.38 2dks s MET 84 CO 0.08 -0.01 -0.00 1.03 1.05 0.00 0.00 175.02 177.17 2dks s ARG 85 N 1.09 2.95 -1.22 4.11 1.81 -0.47 -0.50 118.95 126.72 2dks s ARG 85 Ca 0.36 -0.43 -0.00 0.00 -1.72 0.00 0.00 55.73 53.93 2dks s ARG 85 Cb -0.17 -2.77 -0.00 0.00 -0.45 0.00 0.00 34.95 31.55 2dks s ARG 85 CO 0.16 0.70 0.92 0.09 -0.68 0.00 0.00 175.30 176.48 2dks n ASN 86 N 2.08 -2.02 -4.64 0.23 3.02 -0.88 -4.88 115.26 108.17 2dks n ASN 86 Ca -0.18 -0.68 -0.33 0.00 -0.03 0.00 0.00 54.58 53.36 2dks n ASN 86 Cb 0.53 -4.84 0.13 0.00 -0.61 0.00 0.00 39.78 34.99 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 -4.13 1.43 -3.87 2.41 0.24 0.54 -4.48 118.33 110.47 2dks n VAL 87 Ca -0.28 -0.19 -0.10 0.00 -2.04 0.00 0.00 64.34 61.73 2dks n VAL 87 Cb 0.67 -1.06 -0.09 0.00 -1.47 0.00 0.00 33.84 31.89 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 -2.23 0.11 0.52 3.34 -4.23 -1.26 -0.66 115.64 111.23 2dks s THR 88 Ca 0.70 -0.91 0.41 0.00 -1.18 0.00 0.00 61.69 60.72 2dks s THR 88 Cb -0.28 -0.84 0.63 0.00 1.34 0.00 0.00 72.50 73.35 2dks s THR 88 CO 0.55 -0.50 1.63 0.03 -0.54 0.00 0.00 174.62 175.79 2dks h ARG 89 N 3.63 0.03 -0.31 3.99 3.08 -1.96 0.80 114.38 123.63 2dks h ARG 89 Ca -0.32 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 2dks h ARG 89 Cb 1.19 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 2dks h ARG 89 CO 0.47 0.02 0.10 -0.97 -1.07 0.00 0.00 179.97 178.53 2dks h ASN 90 N 0.03 0.45 -1.04 7.04 -1.24 -1.96 -2.72 115.58 116.14 2dks h ASN 90 Ca 0.83 -0.20 0.27 0.00 0.71 0.00 0.00 56.30 57.91 2dks h ASN 90 Cb 3.11 -0.12 -0.10 0.00 0.73 0.00 0.00 38.32 41.94 2dks h ASN 90 CO -0.14 0.53 0.65 0.44 -1.29 0.00 0.00 177.43 177.63 2dks h ASP 91 N 0.35 0.50 -1.02 1.15 3.32 0.23 -3.41 116.42 117.55 2dks h ASP 91 Ca 0.10 0.10 -0.73 0.00 0.02 0.00 0.00 57.03 56.52 2dks h ASP 91 Cb 0.24 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2dks h ASP 91 CO -0.00 0.08 1.16 0.41 -1.72 0.00 0.00 179.24 179.17 2dks n THR 92 N -4.70 0.18 0.00 0.35 -1.04 -1.03 -4.61 114.28 103.43 2dks n THR 92 Ca 0.26 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 2dks n THR 92 Cb 0.86 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 2dks n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dks n GLY 93 N 5.74 -0.53 3.23 3.41 0.00 -1.26 -5.06 105.19 110.72 2dks n GLY 93 Ca 0.38 0.26 -0.26 0.00 0.00 0.00 0.00 46.02 46.40 2dks n GLY 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dks s SER 94 N -4.00 2.38 -0.19 1.61 1.04 -1.26 -4.51 113.70 108.76 2dks s SER 94 Ca 0.00 -0.46 -0.04 0.00 0.48 0.00 0.00 55.95 55.93 2dks s SER 94 Cb 0.00 -0.22 0.06 0.00 0.10 0.00 0.00 66.02 65.97 2dks s SER 94 CO 0.00 0.18 0.07 -0.31 0.98 0.00 0.00 173.24 174.17 2dks s TYR 95 N -0.68 0.54 -0.05 5.02 1.51 -1.26 -0.71 117.35 121.72 2dks s TYR 95 Ca 0.07 -0.59 -0.18 0.00 -1.01 0.00 0.00 57.07 55.36 2dks s TYR 95 Cb -0.08 -0.85 -0.05 0.00 -0.11 0.00 0.00 41.96 40.86 2dks s TYR 95 CO 0.01 -0.58 0.51 0.99 -1.11 0.00 0.00 175.55 175.37 2dks s THR 96 N 2.02 5.05 -0.28 -0.71 2.01 -0.98 -1.00 115.64 121.75 2dks s THR 96 Ca 0.02 1.03 0.03 0.00 0.31 0.00 0.00 61.69 63.08 2dks s THR 96 Cb -0.16 -3.84 0.07 0.00 0.01 0.00 0.00 72.50 68.58 2dks s THR 96 CO -0.11 0.41 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.95 2dks s LEU 97 N -0.01 3.62 -0.11 4.42 1.98 -0.55 0.42 118.68 128.46 2dks s LEU 97 Ca 0.27 -1.55 -0.13 0.00 -2.89 0.00 0.00 54.13 49.83 2dks s LEU 97 Cb -0.17 -1.51 -0.05 0.00 0.66 0.00 0.00 46.19 45.13 2dks s LEU 97 CO 0.13 -0.24 0.30 -1.58 -1.89 0.00 0.00 176.35 173.07 2dks s GLN 98 N 1.10 4.00 -0.16 1.98 0.74 0.17 -3.11 119.66 124.38 2dks s GLN 98 Ca -0.04 0.15 0.01 0.00 0.05 0.00 0.00 55.36 55.53 2dks s GLN 98 Cb -0.20 -3.32 0.02 0.00 1.10 0.00 0.00 33.01 30.61 2dks s GLN 98 CO -0.06 0.47 -0.17 0.08 -0.55 0.00 0.00 175.29 175.05 2dks s VAL 99 N -0.25 1.83 0.06 1.34 1.01 -1.23 -0.30 120.40 122.86 2dks s VAL 99 Ca 0.18 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 61.15 2dks s VAL 99 Cb -0.14 -1.68 -0.06 0.00 0.00 0.00 0.00 36.38 34.50 2dks s VAL 99 CO 0.07 0.50 0.63 -0.63 0.00 0.00 0.00 175.10 175.67 2dks s ILE 100 N 1.36 4.73 0.17 2.22 1.09 -0.43 -0.65 121.20 129.68 2dks s ILE 100 Ca 0.04 1.34 0.05 0.00 -1.10 0.00 0.00 60.65 60.99 2dks s ILE 100 Cb -0.13 -3.97 -0.04 0.00 -1.06 0.00 0.00 42.46 37.26 2dks s ILE 100 CO -0.11 0.49 0.14 -0.54 -0.10 0.00 0.00 174.94 174.81 2dks s LYS 101 N -0.74 2.90 0.55 2.79 3.01 0.96 0.27 119.74 129.47 2dks s LYS 101 Ca 0.32 -0.88 0.34 0.00 -1.01 0.00 0.00 55.97 54.74 2dks s LYS 101 Cb -0.20 -2.64 1.87 0.00 -1.01 0.00 0.00 37.83 35.85 2dks s LYS 101 CO 0.20 0.48 2.05 -0.07 0.51 0.00 0.00 175.35 178.52 2dks h LEU 102 N 2.39 0.00 -0.59 3.17 -0.00 -1.65 -0.09 115.31 118.54 2dks h LEU 102 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 2dks h LEU 102 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 2dks h LEU 102 CO 0.63 0.00 0.00 -0.46 -0.00 0.00 0.00 178.44 178.61 2dks n ASN 103 N -2.76 0.60 -2.92 -0.43 0.23 -1.26 -4.83 115.26 103.90 2dks n ASN 103 Ca -0.02 -2.01 -0.18 0.00 -0.53 0.00 0.00 54.58 51.84 2dks n ASN 103 Cb 0.12 -0.28 0.06 0.00 -2.08 0.00 0.00 39.78 37.60 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 -0.21 -3.16 -4.48 -4.53 4.77 -0.06 -5.02 117.00 104.31 2dks n LEU 104 Ca 0.00 -0.43 -0.24 0.00 -0.03 0.00 0.00 56.01 55.32 2dks n LEU 104 Cb 0.15 -2.49 -0.09 0.00 -2.33 0.00 0.00 43.42 38.66 2dks n LEU 104 CO 0.00 0.49 -0.23 -0.04 -1.33 0.00 0.00 177.39 176.29 2dks s MET 105 N -5.91 1.80 -0.12 3.23 -1.94 -1.16 -4.96 119.30 110.25 2dks s MET 105 Ca 0.40 -2.06 -0.11 0.00 -1.71 0.00 0.00 55.69 52.21 2dks s MET 105 Cb -0.18 -0.69 0.03 0.00 2.01 0.00 0.00 34.83 36.01 2dks s MET 105 CO 0.57 -0.37 0.31 -1.54 -0.01 0.00 0.00 175.02 173.99 2dks s SER 106 N -3.55 -0.33 0.58 3.03 1.04 -1.26 -0.03 113.70 113.19 2dks s SER 106 Ca 0.29 0.63 0.09 0.00 0.48 0.00 0.00 55.95 57.44 2dks s SER 106 Cb 0.05 0.64 0.09 0.00 0.10 0.00 0.00 66.02 66.90 2dks s SER 106 CO 0.14 -0.11 0.77 -0.62 0.98 0.00 0.00 173.24 174.40 2dks n GLU 107 N 2.95 0.61 -3.74 4.02 -0.58 0.18 -4.91 120.64 119.16 2dks n GLU 107 Ca -0.13 -3.18 -0.12 0.00 -0.42 0.00 0.00 57.16 53.31 2dks n GLU 107 Cb 0.58 -0.18 -0.12 0.00 -0.57 0.00 0.00 31.44 31.14 2dks n GLU 107 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2dks s GLU 108 N -4.61 0.27 -0.20 3.49 2.02 -1.26 -3.54 118.70 114.86 2dks s GLU 108 Ca 0.58 0.52 -0.08 0.00 0.02 0.00 0.00 54.97 56.01 2dks s GLU 108 Cb -0.05 -0.02 0.08 0.00 0.10 0.00 0.00 34.13 34.25 2dks s GLU 108 CO 0.37 -0.12 0.43 0.54 0.02 0.00 0.00 175.26 176.50 2dks s VAL 109 N 0.92 -0.51 -0.64 2.63 0.11 -1.18 -4.90 120.40 116.83 2dks s VAL 109 Ca -0.06 0.14 -0.22 0.00 -2.93 0.00 0.00 61.98 58.91 2dks s VAL 109 Cb -0.07 -0.67 0.08 0.00 -1.53 0.00 0.00 36.38 34.18 2dks s VAL 109 CO -0.06 0.06 0.89 -0.89 -3.33 0.00 0.00 175.10 171.77 2dks s THR 110 N 2.34 4.46 -0.27 5.04 2.01 -1.26 -1.48 115.64 126.47 2dks s THR 110 Ca -0.04 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.48 2dks s THR 110 Cb -0.11 -4.63 0.07 0.00 0.01 0.00 0.00 72.50 67.84 2dks s THR 110 CO -0.13 -1.36 -0.05 -0.83 -0.69 0.00 0.00 174.62 171.56 2dks s GLY 111 N 3.63 1.61 0.28 4.40 0.00 -0.17 -4.81 107.32 112.26 2dks s GLY 111 Ca 0.20 -1.84 0.01 0.00 0.00 0.00 0.00 44.72 43.09 2dks s GLY 111 CO 0.09 0.81 0.04 0.61 0.00 0.00 0.00 173.10 174.65 2dks n GLN 112 N 4.47 0.99 -3.15 2.90 0.00 -1.26 -4.08 117.38 117.25 2dks n GLN 112 Ca -0.09 -2.17 -0.10 0.00 0.00 0.00 0.00 57.00 54.64 2dks n GLN 112 Cb 0.42 0.87 -0.03 0.00 0.00 0.00 0.00 30.24 31.50 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 -0.66 -0.84 -4.29 2.61 -1.74 -1.26 -4.54 117.46 106.73 2dks n PHE 113 Ca -0.08 -1.52 -0.18 0.00 -0.56 0.00 0.00 57.45 55.11 2dks n PHE 113 Cb 0.38 0.28 -0.14 0.00 1.52 0.00 0.00 39.48 41.52 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 -2.35 0.96 -0.04 5.98 0.15 -1.23 -4.09 113.70 113.07 2dks s SER 114 Ca 0.20 -0.19 0.06 0.00 0.70 0.00 0.00 55.95 56.73 2dks s SER 114 Cb 0.00 -0.09 -0.02 0.00 -1.71 0.00 0.00 66.02 64.20 2dks s SER 114 CO 0.14 0.07 -0.23 -0.69 1.20 0.00 0.00 173.24 173.73 2dks s VAL 115 N -0.30 2.25 -0.05 4.45 1.01 -1.26 -2.88 120.40 123.61 2dks s VAL 115 Ca 0.02 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 60.99 2dks s VAL 115 Cb -0.04 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.55 2dks s VAL 115 CO -0.00 0.58 -0.04 -1.38 0.00 0.00 0.00 175.10 174.25 2dks s HIS 116 N -0.43 0.76 -0.28 5.22 -3.43 -0.66 -4.79 115.29 111.68 2dks s HIS 116 Ca 0.04 -0.22 -0.29 0.00 -0.80 0.00 0.00 55.06 53.80 2dks s HIS 116 Cb -0.12 -0.70 -0.02 0.00 -1.43 0.00 0.00 32.58 30.32 2dks s HIS 116 CO 0.01 -0.22 1.66 -1.25 -2.00 0.00 0.00 174.74 172.94 2dks s PRO 117 N 1.05 3.60 -0.86 -0.38 0.04 -1.26 -4.02 135.00 133.17 2dks s PRO 117 Ca -0.09 1.49 -0.27 0.00 0.04 0.00 0.00 61.00 62.17 2dks s PRO 117 Cb -0.14 -4.09 -0.19 0.00 0.04 0.00 0.00 34.50 30.12 2dks s PRO 117 CO -0.01 -1.53 2.55 0.39 0.04 0.00 0.00 177.00 178.45 2dks n GLU 118 N 7.99 0.29 -3.90 4.56 -0.58 -1.26 -4.87 120.64 122.88 2dks n GLU 118 Ca 0.20 -0.04 -0.11 0.00 -0.42 0.00 0.00 57.16 56.78 2dks n GLU 118 Cb 0.46 -2.05 -0.13 0.00 -0.57 0.00 0.00 31.44 29.15 2dks n GLU 118 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2dks s THR 119 N 9.14 0.04 1.14 2.62 -4.23 -1.26 -5.14 115.64 117.94 2dks s THR 119 Ca 1.24 -0.31 -0.17 0.00 -1.18 0.00 0.00 61.69 61.27 2dks s THR 119 Cb -0.88 -0.12 0.26 0.00 1.34 0.00 0.00 72.50 73.10 2dks s THR 119 CO 0.42 -0.17 1.10 -2.16 -0.54 0.00 0.00 174.62 173.27 2dks s PRO 120 N -0.50 -0.70 0.07 3.99 0.04 -1.26 -5.10 135.00 131.54 2dks s PRO 120 Ca -0.06 0.12 -0.11 0.00 0.04 0.00 0.00 61.00 61.00 2dks s PRO 120 Cb -0.03 -1.64 0.01 0.00 0.04 0.00 0.00 34.50 32.87 2dks s PRO 120 CO -0.00 -3.40 0.24 0.15 0.04 0.00 0.00 177.00 174.02 2dks s LYS 121 N -5.25 0.82 0.31 4.56 1.02 -1.26 -5.05 119.74 114.89 2dks s LYS 121 Ca 0.69 -0.74 0.10 0.00 0.02 0.00 0.00 55.97 56.04 2dks s LYS 121 Cb -0.13 0.34 0.51 0.00 -0.52 0.00 0.00 37.83 38.03 2dks s LYS 121 CO 0.57 -0.26 1.71 -1.00 -0.92 0.00 0.00 175.35 175.44 2dks h PRO 122 N 3.01 0.06 -2.93 -1.68 0.13 -2.06 -3.45 132.00 125.08 2dks h PRO 122 Ca -0.33 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 64.64 2dks h PRO 122 Cb 1.20 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 2dks h PRO 122 CO 0.51 0.53 -0.30 -1.12 -0.23 0.00 0.00 178.00 177.40 2dks s SER 123 N -6.89 -0.31 -0.03 1.44 0.01 -1.26 -5.05 113.70 101.60 2dks s SER 123 Ca -0.03 0.52 0.01 0.00 1.31 0.00 0.00 55.95 57.76 2dks s SER 123 Cb 0.13 0.59 -0.03 0.00 0.21 0.00 0.00 66.02 66.93 2dks s SER 123 CO 0.75 -0.22 -0.02 2.30 0.41 0.00 0.00 173.24 176.47 2dks n ILE 124 N 2.40 0.20 -1.20 1.44 -6.64 -1.26 -5.06 119.36 109.24 2dks n ILE 124 Ca -0.16 -0.09 -0.40 0.00 -1.77 0.00 0.00 62.75 60.33 2dks n ILE 124 Cb 0.57 -0.74 -0.01 0.00 -1.44 0.00 0.00 39.64 38.02 2dks n ILE 124 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 2dks n SER 125 N -2.41 -2.13 -3.27 7.28 2.88 -1.26 -4.95 113.62 109.75 2dks n SER 125 Ca -0.06 0.82 -0.23 0.00 -1.33 0.00 0.00 58.87 58.07 2dks n SER 125 Cb 0.58 -0.82 -0.08 0.00 -0.75 0.00 0.00 64.21 63.14 2dks n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dks n GLY 126 N 2.01 1.82 3.56 0.46 0.00 -1.26 -5.08 105.19 106.70 2dks n GLY 126 Ca 0.12 -1.08 -0.31 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 0.03 2.58 -0.07 1.61 0.04 -1.26 -4.86 135.00 133.07 2dks s PRO 127 Ca 0.33 0.01 -0.32 0.00 0.04 0.00 0.00 61.00 61.06 2dks s PRO 127 Cb 0.05 -4.84 0.12 0.00 0.04 0.00 0.00 34.50 29.87 2dks s PRO 127 CO -0.17 -3.17 1.14 0.45 0.04 0.00 0.00 177.00 175.29 2dks s SER 128 N 8.07 -0.17 -0.25 6.66 0.15 -1.26 -5.14 113.70 121.76 2dks s SER 128 Ca 0.69 -0.08 0.01 0.00 0.70 0.00 0.00 55.95 57.27 2dks s SER 128 Cb -0.09 0.24 0.07 0.00 -1.71 0.00 0.00 66.02 64.53 2dks s SER 128 CO 0.06 -0.40 -0.02 -0.55 1.20 0.00 0.00 173.24 173.53 2dks s SER 129 N -2.52 3.91 0.00 5.45 0.15 -1.26 -5.31 113.70 114.12 2dks s SER 129 Ca 0.10 -1.30 0.04 0.00 0.70 0.00 0.00 55.95 55.49 2dks s SER 129 Cb 0.00 -1.16 0.03 0.00 -1.71 0.00 0.00 66.02 63.19 2dks s SER 129 CO -0.05 -0.27 0.62 0.61 1.20 0.00 0.00 173.24 175.35