#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dks s SER 2 N 0.00 6.00 -0.11 1.61 0.01 -1.26 -4.82 113.70 115.13 2dks s SER 2 Ca 0.00 2.28 -0.05 0.00 1.31 0.00 0.00 55.95 59.49 2dks s SER 2 Cb 0.00 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 2dks s SER 2 CO 0.00 -1.47 -0.14 -0.24 0.41 0.00 0.00 173.24 171.80 2dks n SER 3 N 9.42 0.91 0.00 2.44 2.88 -1.26 -4.83 113.62 123.19 2dks n SER 3 Ca 0.24 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 2dks n SER 3 Cb 0.43 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 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 2.35 -3.32 3.66 0.46 0.00 -1.26 -4.15 105.19 102.93 2dks n GLY 4 Ca -0.21 0.68 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.94 7.04 -0.32 1.61 0.15 -1.26 -5.01 113.70 112.97 2dks s SER 5 Ca 0.00 1.52 -0.06 0.00 0.70 0.00 0.00 55.95 58.10 2dks s SER 5 Cb 0.00 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.80 2dks s SER 5 CO 0.00 -0.70 0.09 -0.55 1.20 0.00 0.00 173.24 173.27 2dks s SER 6 N 1.52 5.20 0.00 5.45 0.15 -1.26 -4.95 113.70 119.81 2dks s SER 6 Ca 0.49 -1.00 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2dks s SER 6 Cb -0.18 -1.86 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 2dks s SER 6 CO 0.10 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2dks n GLY 7 N 4.82 1.07 3.73 9.45 0.00 -1.26 -5.16 105.19 117.84 2dks n GLY 7 Ca -0.13 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 2dks n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dks s THR 8 N 0.62 3.97 0.06 2.61 -4.23 -1.26 -5.13 115.64 112.28 2dks s THR 8 Ca 0.00 -1.54 0.04 0.00 -1.18 0.00 0.00 61.69 59.02 2dks s THR 8 Cb 0.00 -3.10 -0.04 0.00 1.34 0.00 0.00 72.50 70.71 2dks s THR 8 CO 0.00 -0.28 -0.04 0.00 -0.54 0.00 0.00 174.62 173.76 2dks s ALA 9 N -2.06 3.13 -0.22 3.99 0.00 -1.26 -5.12 121.76 120.23 2dks s ALA 9 Ca 0.31 -1.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.10 2dks s ALA 9 Cb -0.08 -1.13 0.10 0.00 0.00 0.00 0.00 23.12 22.01 2dks s ALA 9 CO 0.22 0.66 0.46 1.14 0.00 0.00 0.00 175.76 178.24 2dks s GLN 10 N -1.92 0.37 -0.43 0.00 -2.07 -1.26 -5.10 119.66 109.25 2dks s GLN 10 Ca 0.21 1.11 -0.38 0.00 -1.82 0.00 0.00 55.36 54.48 2dks s GLN 10 Cb -0.11 0.43 -0.16 0.00 -1.09 0.00 0.00 33.01 32.07 2dks s GLN 10 CO 0.13 -0.25 1.80 -0.11 -1.32 0.00 0.00 175.29 175.55 2dks n LEU 11 N 5.40 0.68 -4.39 2.60 0.00 -1.25 -4.72 117.00 115.31 2dks n LEU 11 Ca -0.09 0.62 -0.19 0.00 0.00 0.00 0.00 56.01 56.35 2dks n LEU 11 Cb 0.49 -0.77 -0.10 0.00 0.00 0.00 0.00 43.42 43.04 2dks n LEU 11 CO -0.01 -0.67 -0.29 0.28 0.00 0.00 0.00 177.39 176.70 2dks s THR 12 N 4.95 1.09 0.06 1.96 -1.32 -0.77 -4.77 115.64 116.84 2dks s THR 12 Ca 1.02 -2.02 0.05 0.00 -1.21 0.00 0.00 61.69 59.53 2dks s THR 12 Cb -1.29 -2.60 -0.03 0.00 -1.51 0.00 0.00 72.50 67.07 2dks s THR 12 CO 0.58 -0.13 -0.13 -0.63 -2.21 0.00 0.00 174.62 172.10 2dks s ILE 13 N -3.37 1.01 -0.01 5.08 1.01 -1.26 -0.90 121.20 122.75 2dks s ILE 13 Ca 0.34 -1.16 0.01 0.00 0.00 0.00 0.00 60.65 59.83 2dks s ILE 13 Cb 0.07 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.58 2dks s ILE 13 CO 0.13 -0.18 -0.02 -0.70 0.00 0.00 0.00 174.94 174.17 2dks s GLU 14 N -1.51 0.24 -0.12 2.79 2.56 0.25 -4.88 118.70 118.03 2dks s GLU 14 Ca -0.02 -0.08 -0.19 0.00 0.00 0.00 0.00 54.97 54.68 2dks s GLU 14 Cb -0.09 -0.26 -0.04 0.00 2.00 0.00 0.00 34.13 35.73 2dks s GLU 14 CO 0.02 0.03 0.50 0.00 -0.56 0.00 0.00 175.26 175.25 2dks s ALA 15 N 0.09 3.47 -0.24 6.30 0.00 -1.26 0.97 121.76 131.09 2dks s ALA 15 Ca -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 51.96 51.77 2dks s ALA 15 Cb -0.03 -2.69 0.07 0.00 0.00 0.00 0.00 23.12 20.47 2dks s ALA 15 CO -0.00 -0.05 -0.00 0.08 0.00 0.00 0.00 175.76 175.78 2dks s VAL 16 N 0.74 1.20 0.28 0.00 1.01 0.30 -2.27 120.40 121.67 2dks s VAL 16 Ca 0.27 -1.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 2dks s VAL 16 Cb -0.15 -1.63 0.07 0.00 0.00 0.00 0.00 36.38 34.67 2dks s VAL 16 CO 0.11 -0.25 0.25 -0.81 0.00 0.00 0.00 175.10 174.40 2dks n PRO 17 N 4.77 -1.51 0.09 2.72 -0.04 -1.26 -0.30 135.00 139.47 2dks n PRO 17 Ca -0.09 -0.40 0.08 0.00 -0.04 0.00 0.00 63.50 63.05 2dks n PRO 17 Cb 0.44 -0.38 -0.01 0.00 -0.04 0.00 0.00 33.50 33.51 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 -1.41 0.00 -2.02 3.54 0.87 -1.85 -3.44 113.55 109.24 2dks h SER 18 Ca -0.09 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.23 2dks h SER 18 Cb 0.29 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 61.94 2dks h SER 18 CO 0.06 0.20 -0.56 0.20 -0.53 0.00 0.00 176.83 176.20 2dks s ASN 19 N -5.59 0.85 0.52 6.23 -0.87 -1.26 -3.47 114.94 111.34 2dks s ASN 19 Ca -0.01 -0.25 0.09 0.00 -1.57 0.00 0.00 52.86 51.12 2dks s ASN 19 Cb 0.09 0.83 0.05 0.00 -0.02 0.00 0.00 41.25 42.20 2dks s ASN 19 CO 0.79 -0.34 0.66 0.00 -2.57 0.00 0.00 177.10 175.64 2dks s ALA 20 N 2.46 4.59 0.20 0.60 0.00 -1.13 -4.94 121.76 123.54 2dks s ALA 20 Ca 0.10 -1.91 0.09 0.00 0.00 0.00 0.00 51.96 50.25 2dks s ALA 20 Cb -0.14 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 2dks s ALA 20 CO -0.23 -0.61 -0.09 0.00 0.00 0.00 0.00 175.76 174.83 2dks s ALA 21 N -2.58 2.96 -0.34 0.00 0.00 -1.26 -1.85 121.76 118.69 2dks s ALA 21 Ca 0.56 -1.53 -0.42 0.00 0.00 0.00 0.00 51.96 50.56 2dks s ALA 21 Cb -0.06 -0.70 -0.17 0.00 0.00 0.00 0.00 23.12 22.18 2dks s ALA 21 CO 0.35 0.42 1.69 0.39 0.00 0.00 0.00 175.76 178.61 2dks n GLU 22 N -0.16 0.79 0.00 0.00 1.02 -1.25 0.32 120.64 121.36 2dks n GLU 22 Ca -0.10 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 2dks n GLU 22 Cb 0.56 -1.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 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 4.10 0.18 3.98 0.62 0.00 0.12 -4.96 105.19 109.23 2dks n GLY 23 Ca 0.28 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.91 1.14 -0.01 1.61 -0.14 0.15 -4.30 119.74 117.28 2dks s LYS 24 Ca 0.00 -1.05 0.07 0.00 -1.36 0.00 0.00 55.97 53.63 2dks s LYS 24 Cb 0.00 -2.17 -0.02 0.00 -1.68 0.00 0.00 37.83 33.96 2dks s LYS 24 CO 0.00 -1.90 -0.21 -1.21 -0.76 0.00 0.00 175.35 171.27 2dks s GLU 25 N -5.43 1.67 -0.04 1.68 2.02 -1.26 -1.07 118.70 116.27 2dks s GLU 25 Ca 0.71 -0.78 0.05 0.00 0.02 0.00 0.00 54.97 54.97 2dks s GLU 25 Cb -0.03 -1.64 -0.01 0.00 0.10 0.00 0.00 34.13 32.55 2dks s GLU 25 CO 0.48 0.45 -0.19 0.08 0.02 0.00 0.00 175.26 176.09 2dks s VAL 26 N -0.54 1.57 -0.32 2.63 1.01 0.52 -4.52 120.40 120.77 2dks s VAL 26 Ca 0.08 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 2dks s VAL 26 Cb -0.08 -1.33 0.06 0.00 0.00 0.00 0.00 36.38 35.03 2dks s VAL 26 CO -0.00 0.45 0.03 -0.22 0.00 0.00 0.00 175.10 175.35 2dks s LEU 27 N -0.15 4.15 -0.66 3.92 2.96 0.59 0.18 118.68 129.66 2dks s LEU 27 Ca -0.00 -1.45 -0.25 0.00 -0.22 0.00 0.00 54.13 52.20 2dks s LEU 27 Cb -0.11 -1.72 0.05 0.00 0.50 0.00 0.00 46.19 44.91 2dks s LEU 27 CO 0.01 -0.31 1.10 -0.76 -1.32 0.00 0.00 176.35 175.08 2dks s LEU 28 N 1.21 3.78 0.67 -0.68 1.43 -0.94 -0.54 118.68 123.61 2dks s LEU 28 Ca -0.02 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 2dks s LEU 28 Cb -0.20 -2.64 -0.01 0.00 0.03 0.00 0.00 46.19 43.37 2dks s LEU 28 CO -0.02 -1.55 1.07 -0.76 0.23 0.00 0.00 176.35 175.32 2dks s LEU 29 N 4.75 3.03 -0.01 1.79 1.43 0.27 -2.99 118.68 126.95 2dks s LEU 29 Ca 0.31 1.24 0.04 0.00 -1.03 0.00 0.00 54.13 54.69 2dks s LEU 29 Cb -0.12 -4.14 -0.01 0.00 0.03 0.00 0.00 46.19 41.95 2dks s LEU 29 CO 0.15 -1.15 -0.12 -0.69 0.23 0.00 0.00 176.35 174.77 2dks s VAL 30 N -3.29 0.97 0.27 -1.59 1.01 -1.26 -0.58 120.40 115.93 2dks s VAL 30 Ca 0.57 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 62.10 2dks s VAL 30 Cb -0.11 -0.82 -0.06 0.00 0.00 0.00 0.00 36.38 35.40 2dks s VAL 30 CO 0.53 0.28 -0.07 -1.00 0.00 0.00 0.00 175.10 174.84 2dks s HIS 31 N -0.23 1.93 -1.80 5.22 0.09 -0.08 -4.75 115.29 115.67 2dks s HIS 31 Ca 0.04 -0.68 0.00 0.00 -0.00 0.00 0.00 55.06 54.41 2dks s HIS 31 Cb -0.05 -1.08 0.00 0.00 -0.00 0.00 0.00 32.58 31.45 2dks s HIS 31 CO -0.00 0.29 0.00 0.09 -0.00 0.00 0.00 174.74 175.12 2dks n ASN 32 N -0.56 -5.74 -4.55 1.40 3.02 -1.26 -1.85 115.26 105.73 2dks n ASN 32 Ca -0.06 0.06 -0.32 0.00 -0.03 0.00 0.00 54.58 54.23 2dks n ASN 32 Cb 0.63 -4.79 0.14 0.00 -0.61 0.00 0.00 39.78 35.15 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 -2.82 1.71 0.00 3.41 4.77 -1.26 -3.80 117.00 119.00 2dks n LEU 33 Ca -0.24 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2dks n LEU 33 Cb 0.68 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 2dks n LEU 33 CO 0.28 -2.84 0.00 -0.81 -1.33 0.00 0.00 177.39 172.70 2dks n PRO 34 N -3.00 -0.87 -0.09 3.23 -0.04 -1.26 -5.01 135.00 127.95 2dks n PRO 34 Ca 0.10 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.37 2dks n PRO 34 Cb 0.53 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.87 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 -2.82 0.54 3.07 -1.99 -3.44 115.11 110.47 2dks h GLN 35 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 58.65 58.14 2dks h GLN 35 Cb 0.00 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 27.16 2dks h GLN 35 CO 0.00 0.93 -0.78 0.16 0.09 0.00 0.00 178.83 179.23 2dks s ASP 36 N -6.58 3.29 -1.08 0.06 1.47 -1.26 -5.06 116.67 107.51 2dks s ASP 36 Ca -0.25 -2.69 -0.23 0.00 1.18 0.00 0.00 52.55 50.56 2dks s ASP 36 Cb 0.03 -0.86 -0.07 0.00 -0.34 0.00 0.00 42.92 41.68 2dks s ASP 36 CO 0.59 -0.25 1.94 -2.16 0.68 0.00 0.00 175.17 175.97 2dks s PRO 37 N 0.33 2.52 0.35 2.11 0.04 -1.26 -1.82 135.00 137.26 2dks s PRO 37 Ca 0.20 -0.83 0.25 0.00 0.04 0.00 0.00 61.00 60.67 2dks s PRO 37 Cb -0.19 -5.17 1.20 0.00 0.04 0.00 0.00 34.50 30.38 2dks s PRO 37 CO -0.04 -3.75 1.27 -2.13 0.04 0.00 0.00 177.00 172.39 2dks n ARG 38 N 8.50 -0.03 0.00 4.56 0.63 0.66 -4.52 116.66 126.46 2dks n ARG 38 Ca 0.43 1.03 0.00 0.00 -0.92 0.00 0.00 57.85 58.39 2dks n ARG 38 Cb 0.47 -2.01 0.00 0.00 0.45 0.00 0.00 32.46 31.36 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 -1.40 1.06 3.89 5.14 0.00 -1.06 -1.20 105.19 111.62 2dks n GLY 39 Ca 0.33 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 3.47 -0.22 1.61 2.02 0.86 -1.57 117.35 121.52 2dks s TYR 40 Ca 0.00 0.24 -0.03 0.00 -0.37 0.00 0.00 57.07 56.91 2dks s TYR 40 Cb 0.00 -1.75 0.11 0.00 -0.40 0.00 0.00 41.96 39.92 2dks s TYR 40 CO 0.00 0.59 0.26 -0.80 -1.57 0.00 0.00 175.55 174.03 2dks s ASN 41 N -2.38 1.22 0.19 2.29 0.01 -0.33 -0.48 114.94 115.46 2dks s ASN 41 Ca 0.33 -0.22 -0.12 0.00 -0.71 0.00 0.00 52.86 52.14 2dks s ASN 41 Cb -0.13 0.53 -0.07 0.00 0.41 0.00 0.00 41.25 42.00 2dks s ASN 41 CO 0.25 -0.33 0.54 0.26 -1.51 0.00 0.00 177.10 176.31 2dks s TRP 42 N 2.37 3.51 0.12 2.20 0.52 -0.59 -0.84 118.94 126.23 2dks s TRP 42 Ca 0.08 0.95 -0.00 0.00 0.02 0.00 0.00 56.10 57.15 2dks s TRP 42 Cb -0.15 -2.30 -0.04 0.00 -1.15 0.00 0.00 33.47 29.82 2dks s TRP 42 CO -0.16 0.35 0.02 0.71 0.02 0.00 0.00 176.95 177.89 2dks s TYR 43 N -1.65 0.88 -0.20 -1.98 2.02 0.22 -2.48 117.35 114.16 2dks s TYR 43 Ca 0.43 -1.13 -0.07 0.00 -0.37 0.00 0.00 57.07 55.93 2dks s TYR 43 Cb -0.13 -0.52 -0.03 0.00 -0.40 0.00 0.00 41.96 40.88 2dks s TYR 43 CO 0.20 -0.39 0.04 0.21 -1.57 0.00 0.00 175.55 174.04 2dks s LYS 44 N -3.97 3.80 0.00 -0.62 2.20 -1.19 -1.52 119.74 118.43 2dks s LYS 44 Ca 0.20 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.38 2dks s LYS 44 Cb 0.07 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 2dks s LYS 44 CO -0.01 0.11 0.00 0.41 -0.36 0.00 0.00 175.35 175.50 2dks n GLY 45 N 4.01 0.53 0.58 5.54 0.00 0.79 -4.77 105.19 111.88 2dks n GLY 45 Ca -0.17 -2.09 0.06 0.00 0.00 0.00 0.00 46.02 43.82 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 1.75 -3.76 1.61 1.02 -1.26 -2.65 120.64 117.34 2dks n GLU 46 Ca 0.00 -2.97 -0.03 0.00 -0.02 0.00 0.00 57.16 54.14 2dks n GLU 46 Cb 0.00 -1.66 -0.01 0.00 -0.02 0.00 0.00 31.44 29.75 2dks n GLU 46 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2dks s THR 47 N -3.06 0.00 -0.53 2.62 -1.32 -1.26 -5.01 115.64 107.08 2dks s THR 47 Ca 0.38 -0.65 -0.27 0.00 -1.21 0.00 0.00 61.69 59.93 2dks s THR 47 Cb 0.34 -2.09 -0.01 0.00 -1.51 0.00 0.00 72.50 69.24 2dks s THR 47 CO 0.00 0.00 1.71 -0.69 -2.21 0.00 0.00 174.62 173.43 2dks s VAL 48 N -3.15 3.52 -0.24 5.08 1.01 -1.26 -4.75 120.40 120.60 2dks s VAL 48 Ca 0.13 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.55 2dks s VAL 48 Cb -0.01 -4.03 0.05 0.00 0.00 0.00 0.00 36.38 32.39 2dks s VAL 48 CO 0.03 -0.88 -0.12 1.51 0.00 0.00 0.00 175.10 175.64 2dks s ASP 49 N 6.47 4.18 0.51 3.32 1.47 -1.26 -4.97 116.67 126.39 2dks s ASP 49 Ca 0.65 -1.26 0.30 0.00 1.18 0.00 0.00 52.55 53.43 2dks s ASP 49 Cb -0.14 -1.50 1.09 0.00 -0.34 0.00 0.00 42.92 42.02 2dks s ASP 49 CO 0.25 -0.16 1.88 0.00 0.68 0.00 0.00 175.17 177.82 2dks h ALA 50 N 7.81 1.00 0.00 2.11 0.00 -1.97 -2.57 119.26 125.64 2dks h ALA 50 Ca -0.23 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 2dks h ALA 50 Cb 1.06 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2dks h ALA 50 CO 0.48 0.05 -0.72 -0.91 0.00 0.00 0.00 179.25 178.15 2dks h ASN 51 N 0.00 0.00 -0.37 0.00 4.21 -1.99 -3.15 115.58 114.27 2dks h ASN 51 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2dks h ASN 51 Cb 0.65 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.85 2dks h ASN 51 CO 0.00 0.72 0.00 0.54 -1.29 0.00 0.00 177.43 177.40 2dks n ARG 52 N -3.52 3.49 -1.48 0.81 5.12 -1.09 -4.60 116.66 115.38 2dks n ARG 52 Ca -0.00 -2.88 -0.50 0.00 -1.93 0.00 0.00 57.85 52.54 2dks n ARG 52 Cb 0.74 -1.92 -0.06 0.00 -1.16 0.00 0.00 32.46 30.05 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 -0.06 1.23 0.17 5.56 0.63 -0.99 -3.15 116.66 120.06 2dks n ARG 53 Ca 0.23 0.34 -0.13 0.00 -0.92 0.00 0.00 57.85 57.37 2dks n ARG 53 Cb 0.94 -2.55 -0.08 0.00 0.45 0.00 0.00 32.46 31.23 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 6.98 0.58 -1.38 5.15 2.04 -1.70 -2.51 117.51 126.67 2dks h ILE 54 Ca -0.30 -0.64 0.13 0.00 1.00 0.00 0.00 64.86 65.05 2dks h ILE 54 Cb 1.31 0.87 -0.26 0.00 -0.74 0.00 0.00 36.82 38.00 2dks h ILE 54 CO 1.01 0.11 0.68 -0.51 0.00 0.00 0.00 178.15 179.43 2dks s ILE 55 N -4.39 0.00 -0.02 -0.67 2.07 -1.22 -2.89 121.20 114.08 2dks s ILE 55 Ca -0.14 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.13 2dks s ILE 55 Cb 0.02 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.61 2dks s ILE 55 CO 0.50 0.00 -0.07 -0.83 -1.91 0.00 0.00 174.94 172.62 2dks s GLY 56 N -0.80 0.46 -0.05 1.50 0.00 -1.10 -1.54 107.32 105.79 2dks s GLY 56 Ca 0.03 -0.26 0.04 0.00 0.00 0.00 0.00 44.72 44.53 2dks s GLY 56 CO -0.04 -0.01 -0.18 -0.47 0.00 0.00 0.00 173.10 172.40 2dks s TYR 57 N 0.27 1.85 -0.22 1.90 5.04 0.37 -1.16 117.35 125.39 2dks s TYR 57 Ca -0.04 -0.56 -0.05 0.00 -2.44 0.00 0.00 57.07 53.98 2dks s TYR 57 Cb -0.09 -1.24 -0.02 0.00 0.35 0.00 0.00 41.96 40.96 2dks s TYR 57 CO 0.00 -0.19 0.01 0.08 -1.34 0.00 0.00 175.55 174.11 2dks s VAL 58 N 0.06 3.93 0.11 3.14 1.01 0.45 -0.10 120.40 129.00 2dks s VAL 58 Ca -0.05 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 2dks s VAL 58 Cb -0.12 -2.79 -0.21 0.00 0.00 0.00 0.00 36.38 33.25 2dks s VAL 58 CO 0.03 0.40 1.26 0.40 0.00 0.00 0.00 175.10 177.19 2dks h ILE 59 N 5.49 1.43 0.00 2.22 2.04 -1.39 1.48 117.51 128.78 2dks h ILE 59 Ca -0.38 -2.64 -0.01 0.00 1.00 0.00 0.00 64.86 62.83 2dks h ILE 59 Cb 1.17 2.59 -0.00 0.00 -0.74 0.00 0.00 36.82 39.84 2dks h ILE 59 CO 0.60 0.78 -0.04 -1.28 0.00 0.00 0.00 178.15 178.21 2dks h SER 60 N 0.17 0.00 0.00 1.72 0.87 -1.81 -2.82 113.55 111.68 2dks h SER 60 Ca -0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2dks h SER 60 Cb 1.70 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.66 2dks h SER 60 CO 0.18 0.04 -0.06 -3.20 -0.53 0.00 0.00 176.83 173.26 2dks n ASN 61 N -3.96 0.97 -3.80 6.23 5.15 -1.20 -5.01 115.26 113.64 2dks n ASN 61 Ca -0.03 -1.72 -0.26 0.00 -0.60 0.00 0.00 54.58 51.98 2dks n ASN 61 Cb 0.13 -0.07 -0.07 0.00 -0.53 0.00 0.00 39.78 39.24 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 -0.34 -0.90 -4.17 1.20 6.02 0.49 -4.89 117.38 114.80 2dks n GLN 62 Ca 0.02 0.08 -0.29 0.00 -0.01 0.00 0.00 57.00 56.80 2dks n GLN 62 Cb 0.45 -2.93 -0.08 0.00 1.02 0.00 0.00 30.24 28.70 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 -5.99 2.40 -0.12 -1.09 0.74 -0.46 -4.91 119.66 110.23 2dks s GLN 63 Ca 0.22 -0.95 0.01 0.00 0.05 0.00 0.00 55.36 54.69 2dks s GLN 63 Cb -0.13 -2.44 0.02 0.00 1.10 0.00 0.00 33.01 31.56 2dks s GLN 63 CO 0.74 0.51 -0.14 0.42 -0.55 0.00 0.00 175.29 176.27 2dks s ILE 64 N -1.39 1.44 -0.34 -2.34 1.01 -1.26 -0.41 121.20 117.91 2dks s ILE 64 Ca 0.25 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.33 2dks s ILE 64 Cb -0.11 -1.34 0.11 0.00 0.01 0.00 0.00 42.46 41.12 2dks s ILE 64 CO 0.17 0.43 0.10 -0.89 0.00 0.00 0.00 174.94 174.76 2dks s THR 65 N 1.21 1.54 0.35 2.92 2.01 -0.31 -5.02 115.64 118.34 2dks s THR 65 Ca -0.02 -1.97 -0.27 0.00 0.31 0.00 0.00 61.69 59.74 2dks s THR 65 Cb -0.14 -2.14 -0.09 0.00 0.01 0.00 0.00 72.50 70.14 2dks s THR 65 CO -0.05 -0.68 1.21 -2.16 -0.69 0.00 0.00 174.62 172.25 2dks s PRO 66 N 1.12 4.26 0.00 4.92 0.04 -1.26 -2.72 135.00 141.36 2dks s PRO 66 Ca 0.11 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2dks s PRO 66 Cb -0.19 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.44 2dks s PRO 66 CO -0.15 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.12 2dks n GLY 67 N 0.80 1.81 0.21 0.56 0.00 -1.14 -4.96 105.19 102.46 2dks n GLY 67 Ca 0.02 -2.06 0.07 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.05 1.61 0.13 -1.79 -2.97 132.00 127.94 2dks h PRO 68 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 2dks h PRO 68 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 2dks h PRO 68 CO 0.00 0.31 0.22 0.00 -0.23 0.00 0.00 178.00 178.30 2dks n ALA 69 N -2.31 3.62 -2.82 -0.56 0.00 -0.96 -4.85 120.51 112.63 2dks n ALA 69 Ca -0.01 -0.98 -0.34 0.00 0.00 0.00 0.00 53.44 52.12 2dks n ALA 69 Cb 0.43 -1.16 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.11 3.05 0.00 0.00 5.04 -1.12 -4.45 117.35 118.75 2dks s TYR 70 Ca 0.19 -0.11 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 2dks s TYR 70 Cb 0.16 -1.88 0.00 0.00 0.35 0.00 0.00 41.96 40.59 2dks s TYR 70 CO 0.03 0.15 0.55 0.43 -1.34 0.00 0.00 175.55 175.37 2dks n SER 71 N 2.98 0.91 -1.01 4.32 7.64 -1.26 -5.00 113.62 122.20 2dks n SER 71 Ca -0.18 -1.29 -0.06 0.00 1.01 0.00 0.00 58.87 58.35 2dks n SER 71 Cb 0.53 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.74 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 -0.15 -2.78 0.00 6.43 2.85 -1.26 -4.92 115.26 115.43 2dks n ASN 72 Ca 0.00 -0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 2dks n ASN 72 Cb 0.22 -1.71 0.00 0.00 1.24 0.00 0.00 39.78 39.53 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 -1.63 2.48 -3.37 1.20 1.74 -1.26 -5.06 116.66 110.76 2dks n ARG 73 Ca -0.03 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.71 2dks n ARG 73 Cb 0.53 -0.86 -0.06 0.00 -1.02 0.00 0.00 32.46 31.06 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 3.91 -0.04 5.56 8.01 -1.26 -3.04 118.70 130.23 2dks s GLU 74 Ca 0.00 0.42 -0.02 0.00 0.01 0.00 0.00 54.97 55.38 2dks s GLU 74 Cb 0.00 -2.79 0.03 0.00 -4.31 0.00 0.00 34.13 27.06 2dks s GLU 74 CO 0.00 0.40 0.06 0.99 0.01 0.00 0.00 175.26 176.72 2dks s THR 75 N -1.63 -0.11 0.95 3.63 2.01 -0.96 -4.96 115.64 114.57 2dks s THR 75 Ca 0.42 0.40 -0.12 0.00 0.31 0.00 0.00 61.69 62.70 2dks s THR 75 Cb -0.13 -0.15 0.16 0.00 0.01 0.00 0.00 72.50 72.39 2dks s THR 75 CO 0.20 0.17 1.10 -0.63 -0.69 0.00 0.00 174.62 174.76 2dks s ILE 76 N 2.01 2.29 0.11 1.82 1.09 -1.26 -0.67 121.20 126.60 2dks s ILE 76 Ca 0.03 0.09 0.02 0.00 -1.10 0.00 0.00 60.65 59.69 2dks s ILE 76 Cb -0.12 -2.63 -0.04 0.00 -1.06 0.00 0.00 42.46 38.61 2dks s ILE 76 CO -0.03 -0.12 -0.06 -0.31 -0.10 0.00 0.00 174.94 174.31 2dks s TYR 77 N -3.00 0.97 -2.00 3.97 1.51 0.17 -4.83 117.35 114.13 2dks s TYR 77 Ca 0.64 -0.91 0.12 0.00 -1.01 0.00 0.00 57.07 55.92 2dks s TYR 77 Cb -0.18 -0.55 0.72 0.00 -0.11 0.00 0.00 41.96 41.85 2dks s TYR 77 CO 0.57 -0.13 1.15 -0.35 -1.11 0.00 0.00 175.55 175.68 2dks n PRO 78 N -0.08 0.49 -0.13 -1.71 -0.04 -1.26 -2.01 135.00 130.25 2dks n PRO 78 Ca -0.11 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.44 2dks n PRO 78 Cb 0.61 -1.39 0.14 0.00 -0.04 0.00 0.00 33.50 32.82 2dks n PRO 78 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2dks n ASN 79 N -0.89 2.18 -1.19 3.54 5.15 -1.26 -4.95 115.26 117.84 2dks n ASN 79 Ca 0.09 -3.08 -0.12 0.00 -0.60 0.00 0.00 54.58 50.87 2dks n ASN 79 Cb 0.04 -0.42 -0.02 0.00 -0.53 0.00 0.00 39.78 38.85 2dks n ASN 79 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dks n ALA 80 N -1.34 -0.29 -2.76 5.20 0.00 -0.85 -4.39 120.51 116.08 2dks n ALA 80 Ca 0.15 0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.41 2dks n ALA 80 Cb 0.65 -1.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.60 5.45 -0.13 0.00 0.01 -1.25 -4.70 113.70 110.47 2dks s SER 81 Ca 0.00 -0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.27 2dks s SER 81 Cb 0.00 -1.46 0.01 0.00 0.21 0.00 0.00 66.02 64.79 2dks s SER 81 CO 0.00 0.20 -0.19 -0.22 0.41 0.00 0.00 173.24 173.43 2dks s LEU 82 N -2.20 1.97 -0.41 2.44 2.96 -1.16 0.44 118.68 122.72 2dks s LEU 82 Ca 0.27 -0.55 -0.19 0.00 -0.22 0.00 0.00 54.13 53.45 2dks s LEU 82 Cb -0.12 -1.33 0.02 0.00 0.50 0.00 0.00 46.19 45.26 2dks s LEU 82 CO 0.19 0.05 0.52 -0.22 -1.32 0.00 0.00 176.35 175.57 2dks s LEU 83 N 0.93 4.63 -0.35 -0.68 2.96 0.16 -2.21 118.68 124.13 2dks s LEU 83 Ca -0.06 -0.43 -0.20 0.00 -0.22 0.00 0.00 54.13 53.23 2dks s LEU 83 Cb -0.15 -2.54 -0.00 0.00 0.50 0.00 0.00 46.19 44.00 2dks s LEU 83 CO -0.03 -0.63 0.59 -0.32 -1.32 0.00 0.00 176.35 174.65 2dks s MET 84 N 2.42 3.69 0.17 1.98 -2.45 0.13 -2.26 119.30 122.98 2dks s MET 84 Ca 0.17 0.02 0.03 0.00 -1.25 0.00 0.00 55.69 54.66 2dks s MET 84 Cb -0.16 -3.80 -0.03 0.00 1.25 0.00 0.00 34.83 32.09 2dks s MET 84 CO 0.15 -0.68 0.29 1.03 1.05 0.00 0.00 175.02 176.86 2dks s ARG 85 N 2.59 3.41 -1.41 4.11 0.52 -1.17 -0.35 118.95 126.64 2dks s ARG 85 Ca 0.23 -0.64 -0.05 0.00 -0.52 0.00 0.00 55.73 54.75 2dks s ARG 85 Cb -0.15 -2.93 0.00 0.00 0.52 0.00 0.00 34.95 32.39 2dks s ARG 85 CO 0.14 0.50 0.33 0.09 0.02 0.00 0.00 175.30 176.38 2dks n ASN 86 N -0.70 -0.60 -4.67 0.23 3.02 -0.96 -4.87 115.26 106.71 2dks n ASN 86 Ca -0.07 -1.12 -0.34 0.00 -0.03 0.00 0.00 54.58 53.02 2dks n ASN 86 Cb 0.55 -2.50 0.12 0.00 -0.61 0.00 0.00 39.78 37.34 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 -4.50 2.25 -4.13 2.41 0.24 -0.24 -4.55 118.33 109.81 2dks n VAL 87 Ca -0.28 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.34 61.65 2dks n VAL 87 Cb 0.67 -1.17 -0.10 0.00 -1.47 0.00 0.00 33.84 31.76 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 -2.04 0.62 0.54 3.34 -4.23 -1.26 -0.71 115.64 111.90 2dks s THR 88 Ca 0.73 -1.65 0.30 0.00 -1.18 0.00 0.00 61.69 59.89 2dks s THR 88 Cb -0.30 -1.32 0.45 0.00 1.34 0.00 0.00 72.50 72.67 2dks s THR 88 CO 0.51 -0.72 1.91 0.08 -0.54 0.00 0.00 174.62 175.86 2dks h ARG 89 N 3.48 0.00 -0.26 3.99 0.11 -1.97 0.56 114.38 120.28 2dks h ARG 89 Ca -0.35 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.63 2dks h ARG 89 Cb 1.18 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.25 2dks h ARG 89 CO 0.57 0.00 -0.22 -0.91 0.10 0.00 0.00 179.97 179.51 2dks h ASN 90 N 0.00 0.65 -1.04 0.08 2.35 -1.95 -3.08 115.58 112.58 2dks h ASN 90 Ca 0.36 -0.45 0.31 0.00 -0.55 0.00 0.00 56.30 55.97 2dks h ASN 90 Cb 1.50 -0.18 -0.14 0.00 0.05 0.00 0.00 38.32 39.55 2dks h ASN 90 CO -0.00 0.96 0.61 0.44 -1.65 0.00 0.00 177.43 177.79 2dks h ASP 91 N 0.34 0.51 -1.14 5.81 3.32 -1.28 -3.40 116.42 120.57 2dks h ASP 91 Ca 0.05 0.16 -0.75 0.00 0.02 0.00 0.00 57.03 56.51 2dks h ASP 91 Cb 0.76 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.42 2dks h ASP 91 CO 0.06 -0.07 1.03 0.41 -1.72 0.00 0.00 179.24 178.94 2dks n THR 92 N -4.94 0.19 0.00 0.35 -1.04 -1.17 -4.52 114.28 103.16 2dks n THR 92 Ca 0.31 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 2dks n THR 92 Cb 0.98 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 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 5.12 -1.07 3.33 3.41 0.00 -1.26 -5.03 105.19 109.69 2dks n GLY 93 Ca 0.34 0.70 -0.13 0.00 0.00 0.00 0.00 46.02 46.93 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 -0.42 -0.19 1.61 0.01 -1.26 -4.75 113.70 104.70 2dks s SER 94 Ca 0.00 0.75 -0.04 0.00 1.31 0.00 0.00 55.95 57.97 2dks s SER 94 Cb 0.00 0.78 0.06 0.00 0.21 0.00 0.00 66.02 67.07 2dks s SER 94 CO 0.00 -0.22 0.06 -0.31 0.41 0.00 0.00 173.24 173.17 2dks s TYR 95 N -0.09 0.74 -0.05 2.43 1.51 -1.08 -0.15 117.35 120.65 2dks s TYR 95 Ca -0.03 -0.69 -0.25 0.00 -1.01 0.00 0.00 57.07 55.09 2dks s TYR 95 Cb -0.03 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 40.86 2dks s TYR 95 CO 0.02 -0.59 0.75 0.99 -1.11 0.00 0.00 175.55 175.61 2dks s THR 96 N 1.95 5.01 -0.28 -0.71 2.01 -0.58 -1.18 115.64 121.87 2dks s THR 96 Ca 0.01 1.55 0.01 0.00 0.31 0.00 0.00 61.69 63.56 2dks s THR 96 Cb -0.17 -4.09 0.05 0.00 0.01 0.00 0.00 72.50 68.31 2dks s THR 96 CO -0.10 0.24 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.80 2dks s LEU 97 N 0.81 3.64 -0.13 4.42 1.98 -0.90 0.70 118.68 129.21 2dks s LEU 97 Ca 0.40 -1.32 -0.10 0.00 -2.89 0.00 0.00 54.13 50.22 2dks s LEU 97 Cb -0.18 -1.63 -0.05 0.00 0.66 0.00 0.00 46.19 44.99 2dks s LEU 97 CO 0.20 -0.22 0.20 -1.58 -1.89 0.00 0.00 176.35 173.06 2dks s GLN 98 N 1.18 3.79 -0.16 1.98 0.74 -0.02 -2.81 119.66 124.36 2dks s GLN 98 Ca -0.07 -0.04 0.02 0.00 0.05 0.00 0.00 55.36 55.32 2dks s GLN 98 Cb -0.20 -3.28 0.02 0.00 1.10 0.00 0.00 33.01 30.65 2dks s GLN 98 CO -0.03 0.59 -0.21 0.08 -0.55 0.00 0.00 175.29 175.17 2dks s VAL 99 N -0.52 2.04 -0.07 1.34 1.01 -0.94 -1.19 120.40 122.07 2dks s VAL 99 Ca 0.15 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 2dks s VAL 99 Cb -0.13 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 2dks s VAL 99 CO 0.04 0.54 0.26 -0.63 0.00 0.00 0.00 175.10 175.31 2dks s ILE 100 N 1.07 5.29 0.22 2.22 1.09 -0.61 -0.54 121.20 129.94 2dks s ILE 100 Ca -0.01 0.50 0.07 0.00 -1.10 0.00 0.00 60.65 60.11 2dks s ILE 100 Cb -0.14 -3.54 -0.04 0.00 -1.06 0.00 0.00 42.46 37.68 2dks s ILE 100 CO -0.08 0.59 0.10 -0.54 -0.10 0.00 0.00 174.94 174.92 2dks s LYS 101 N -0.99 2.68 0.06 2.79 3.01 -0.05 0.24 119.74 127.49 2dks s LYS 101 Ca 0.19 -1.10 0.04 0.00 -1.01 0.00 0.00 55.97 54.09 2dks s LYS 101 Cb -0.14 -2.46 0.21 0.00 -1.01 0.00 0.00 37.83 34.44 2dks s LYS 101 CO 0.08 0.42 1.11 1.28 0.51 0.00 0.00 175.35 178.75 2dks n LEU 102 N -0.71 0.10 -0.95 3.17 7.99 -0.76 -1.07 117.00 124.77 2dks n LEU 102 Ca -0.08 0.53 0.03 0.00 -0.01 0.00 0.00 56.01 56.48 2dks n LEU 102 Cb 0.57 -0.55 0.14 0.00 -0.11 0.00 0.00 43.42 43.48 2dks n LEU 102 CO 0.42 -0.57 0.49 -3.20 -1.51 0.00 0.00 177.39 173.02 2dks n ASN 103 N -1.63 2.59 -2.14 -1.43 5.15 -1.26 -4.84 115.26 111.69 2dks n ASN 103 Ca -0.00 -2.30 -0.20 0.00 -0.60 0.00 0.00 54.58 51.48 2dks n ASN 103 Cb 0.02 -0.53 -0.02 0.00 -0.53 0.00 0.00 39.78 38.73 2dks n ASN 103 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2dks n LEU 104 N 0.23 -1.84 -4.78 1.20 4.77 -0.23 -4.99 117.00 111.37 2dks n LEU 104 Ca 0.10 0.04 -0.26 0.00 -0.03 0.00 0.00 56.01 55.86 2dks n LEU 104 Cb 0.56 -2.78 -0.06 0.00 -2.33 0.00 0.00 43.42 38.81 2dks n LEU 104 CO 0.11 -0.30 -0.12 -0.04 -1.33 0.00 0.00 177.39 175.71 2dks s MET 105 N -4.82 2.24 -0.02 3.23 -1.94 -1.20 -4.95 119.30 111.84 2dks s MET 105 Ca 0.00 -1.94 -0.17 0.00 -1.71 0.00 0.00 55.69 51.87 2dks s MET 105 Cb 0.00 -1.97 0.03 0.00 2.01 0.00 0.00 34.83 34.90 2dks s MET 105 CO 0.00 -0.25 0.36 -1.54 -0.01 0.00 0.00 175.02 173.58 2dks s SER 106 N -3.99 -0.26 0.30 3.03 1.04 -1.26 -0.87 113.70 111.69 2dks s SER 106 Ca 0.36 0.20 0.09 0.00 0.48 0.00 0.00 55.95 57.07 2dks s SER 106 Cb 0.02 0.36 -0.06 0.00 0.10 0.00 0.00 66.02 66.45 2dks s SER 106 CO 0.20 -0.46 -0.11 -1.61 0.98 0.00 0.00 173.24 172.24 2dks s GLU 107 N -1.24 1.65 -0.01 4.02 2.02 0.29 -4.93 118.70 120.51 2dks s GLU 107 Ca -0.13 -1.82 0.05 0.00 0.02 0.00 0.00 54.97 53.09 2dks s GLU 107 Cb -0.04 -1.48 -0.01 0.00 0.10 0.00 0.00 34.13 32.69 2dks s GLU 107 CO 0.05 0.15 -0.15 -1.21 0.02 0.00 0.00 175.26 174.12 2dks s GLU 108 N -3.63 1.19 -0.28 1.61 2.02 -1.26 -2.22 118.70 116.13 2dks s GLU 108 Ca 0.30 -0.56 -0.02 0.00 0.02 0.00 0.00 54.97 54.71 2dks s GLU 108 Cb 0.01 -1.16 0.17 0.00 0.10 0.00 0.00 34.13 33.25 2dks s GLU 108 CO 0.14 0.32 0.53 0.54 0.02 0.00 0.00 175.26 176.80 2dks s VAL 109 N -0.40 -0.88 -0.46 2.63 0.11 -1.12 -4.97 120.40 115.31 2dks s VAL 109 Ca 0.05 -0.02 -0.28 0.00 -2.93 0.00 0.00 61.98 58.80 2dks s VAL 109 Cb -0.06 -0.94 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 2dks s VAL 109 CO -0.00 -0.04 1.44 -0.89 -3.33 0.00 0.00 175.10 172.27 2dks s THR 110 N 2.76 3.84 -0.21 5.04 2.01 -1.26 -2.11 115.64 125.71 2dks s THR 110 Ca 0.18 0.82 -0.00 0.00 0.31 0.00 0.00 61.69 63.00 2dks s THR 110 Cb -0.15 -4.24 0.06 0.00 0.01 0.00 0.00 72.50 68.17 2dks s THR 110 CO -0.19 -0.86 -0.03 -0.83 -0.69 0.00 0.00 174.62 172.01 2dks s GLY 111 N 4.25 1.07 0.18 4.40 0.00 -0.33 -4.75 107.32 112.14 2dks s GLY 111 Ca 0.60 -1.08 0.04 0.00 0.00 0.00 0.00 44.72 44.28 2dks s GLY 111 CO 0.30 1.05 0.14 0.61 0.00 0.00 0.00 173.10 175.21 2dks n GLN 112 N 4.81 0.27 -2.96 2.90 -0.00 -1.26 -3.92 117.38 117.22 2dks n GLN 112 Ca -0.11 -1.74 -0.09 0.00 -0.00 0.00 0.00 57.00 55.06 2dks n GLN 112 Cb 0.46 1.37 -0.03 0.00 -0.00 0.00 0.00 30.24 32.04 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 -0.35 -0.74 -4.77 2.61 -1.74 -1.26 -4.55 117.46 106.67 2dks n PHE 113 Ca 0.03 -1.31 -0.26 0.00 -0.56 0.00 0.00 57.45 55.35 2dks n PHE 113 Cb 0.31 0.23 -0.16 0.00 1.52 0.00 0.00 39.48 41.38 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 -2.16 2.07 -0.16 5.98 0.15 -1.23 -4.13 113.70 114.22 2dks s SER 114 Ca 0.17 -0.35 -0.02 0.00 0.70 0.00 0.00 55.95 56.46 2dks s SER 114 Cb 0.00 -0.73 -0.02 0.00 -1.71 0.00 0.00 66.02 63.57 2dks s SER 114 CO 0.12 0.11 -0.09 -0.69 1.20 0.00 0.00 173.24 173.90 2dks s VAL 115 N 0.26 3.33 -0.03 4.45 1.01 -1.26 -2.86 120.40 125.31 2dks s VAL 115 Ca -0.08 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.40 2dks s VAL 115 Cb -0.13 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 2dks s VAL 115 CO 0.03 0.50 -0.17 -1.38 0.00 0.00 0.00 175.10 174.07 2dks s HIS 116 N 0.59 1.66 0.72 5.22 -3.43 -0.77 -4.73 115.29 114.56 2dks s HIS 116 Ca -0.06 -0.41 -0.12 0.00 -0.80 0.00 0.00 55.06 53.67 2dks s HIS 116 Cb -0.15 -1.10 0.03 0.00 -1.43 0.00 0.00 32.58 29.93 2dks s HIS 116 CO 0.03 -0.11 1.10 -1.25 -2.00 0.00 0.00 174.74 172.51 2dks s PRO 117 N -0.16 2.49 -0.25 -0.38 0.04 -1.26 -3.81 135.00 131.67 2dks s PRO 117 Ca 0.01 1.26 -0.03 0.00 0.04 0.00 0.00 61.00 62.28 2dks s PRO 117 Cb -0.09 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.56 2dks s PRO 117 CO 0.01 -1.48 2.60 0.39 0.04 0.00 0.00 177.00 178.56 2dks n GLU 118 N -3.05 1.91 -4.13 4.56 1.02 -1.26 -4.90 120.64 114.79 2dks n GLU 118 Ca 0.10 -1.46 -0.33 0.00 -0.02 0.00 0.00 57.16 55.44 2dks n GLU 118 Cb 0.53 -1.77 -0.07 0.00 -0.02 0.00 0.00 31.44 30.10 2dks n GLU 118 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2dks s THR 119 N -1.24 4.68 0.39 2.62 -4.23 -1.26 -5.09 115.64 111.51 2dks s THR 119 Ca 0.43 -0.37 -0.26 0.00 -1.18 0.00 0.00 61.69 60.31 2dks s THR 119 Cb 0.27 -3.11 -0.09 0.00 1.34 0.00 0.00 72.50 70.91 2dks s THR 119 CO -0.07 0.40 1.19 -2.16 -0.54 0.00 0.00 174.62 173.44 2dks s PRO 120 N -1.58 4.08 -0.10 3.99 0.04 -1.26 -5.05 135.00 135.13 2dks s PRO 120 Ca 0.21 1.91 -0.03 0.00 0.04 0.00 0.00 61.00 63.12 2dks s PRO 120 Cb -0.12 -2.73 0.04 0.00 0.04 0.00 0.00 34.50 31.73 2dks s PRO 120 CO 0.12 -0.32 0.07 0.21 0.04 0.00 0.00 177.00 177.12 2dks s LYS 121 N -2.22 0.00 0.00 4.56 2.47 -1.26 -5.00 119.74 118.29 2dks s LYS 121 Ca 0.56 0.16 0.15 0.00 -1.56 0.00 0.00 55.97 55.29 2dks s LYS 121 Cb -0.32 -1.12 0.92 0.00 -1.46 0.00 0.00 37.83 35.84 2dks s LYS 121 CO 0.41 -0.48 1.34 -0.35 0.16 0.00 0.00 175.35 176.43 2dks n PRO 122 N 5.29 0.47 -0.03 4.03 -0.04 -1.26 -2.95 135.00 140.50 2dks n PRO 122 Ca -0.05 0.01 -0.19 0.00 -0.04 0.00 0.00 63.50 63.23 2dks n PRO 122 Cb 0.50 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.32 2dks n PRO 122 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dks h SER 123 N 0.00 0.20 -6.15 3.54 0.87 -2.03 -3.47 113.55 106.51 2dks h SER 123 Ca 0.00 -0.85 -0.38 0.00 -1.23 0.00 0.00 61.79 59.33 2dks h SER 123 Cb 0.01 -0.06 -0.15 0.00 -0.44 0.00 0.00 62.40 61.76 2dks h SER 123 CO 0.00 1.34 -0.59 0.00 -0.53 0.00 0.00 176.83 177.06 2dks n ILE 124 N -4.29 -0.50 -0.52 2.23 3.06 -1.15 -4.82 119.36 113.36 2dks n ILE 124 Ca -0.19 -0.25 -0.29 0.00 -2.50 0.00 0.00 62.75 59.52 2dks n ILE 124 Cb 0.70 -0.56 0.22 0.00 0.54 0.00 0.00 39.64 40.54 2dks n ILE 124 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 2dks n SER 125 N -1.57 -2.60 -4.67 9.51 2.88 -1.26 -4.92 113.62 111.00 2dks n SER 125 Ca -0.15 -0.31 -0.41 0.00 -1.33 0.00 0.00 58.87 56.67 2dks n SER 125 Cb 0.40 -1.02 -0.04 0.00 -0.75 0.00 0.00 64.21 62.80 2dks n SER 125 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dks s GLY 126 N -2.20 2.09 0.83 0.46 0.00 -1.26 -5.05 107.32 102.18 2dks s GLY 126 Ca 0.59 -0.00 -0.14 0.00 0.00 0.00 0.00 44.72 45.17 2dks s GLY 126 CO 0.60 1.64 0.74 -1.55 0.00 0.00 0.00 173.10 174.52 2dks n PRO 127 N 5.24 -2.45 -4.27 2.90 -0.04 -1.26 -4.01 135.00 131.10 2dks n PRO 127 Ca 0.04 -1.18 -0.36 0.00 -0.04 0.00 0.00 63.50 61.96 2dks n PRO 127 Cb 0.49 -1.10 -0.08 0.00 -0.04 0.00 0.00 33.50 32.76 2dks n PRO 127 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dks n SER 128 N -4.26 -0.84 -3.71 3.54 2.88 -1.26 -4.89 113.62 105.08 2dks n SER 128 Ca 0.10 -1.16 -0.12 0.00 -1.33 0.00 0.00 58.87 56.36 2dks n SER 128 Cb 0.40 -1.47 -0.10 0.00 -0.75 0.00 0.00 64.21 62.29 2dks n SER 128 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dks s SER 129 N -3.47 -0.49 0.00 -3.46 0.15 -1.26 -5.33 113.70 99.83 2dks s SER 129 Ca 0.52 0.92 0.00 0.00 0.70 0.00 0.00 55.95 58.09 2dks s SER 129 Cb -0.30 0.90 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 2dks s SER 129 CO 0.94 -0.17 0.43 0.61 1.20 0.00 0.00 173.24 176.25