#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dks s SER 2 N 0.00 -0.98 -0.30 1.61 1.04 -1.26 -5.14 113.70 108.67 2dks s SER 2 Ca 0.00 1.47 -0.16 0.00 0.48 0.00 0.00 55.95 57.74 2dks s SER 2 Cb 0.00 1.95 0.18 0.00 0.10 0.00 0.00 66.02 68.25 2dks s SER 2 CO 0.00 -0.22 1.09 -0.94 0.98 0.00 0.00 173.24 174.14 2dks s SER 3 N 2.56 -0.41 -0.38 7.02 1.04 -1.26 -5.13 113.70 117.14 2dks s SER 3 Ca -0.06 0.51 0.04 0.00 0.48 0.00 0.00 55.95 56.92 2dks s SER 3 Cb -0.10 1.44 0.16 0.00 0.10 0.00 0.00 66.02 67.62 2dks s SER 3 CO -0.18 -0.08 0.45 -0.83 0.98 0.00 0.00 173.24 173.58 2dks s GLY 4 N 2.39 -0.37 -0.02 7.32 0.00 -1.26 -5.13 107.32 110.25 2dks s GLY 4 Ca -0.01 -0.64 -0.30 0.00 0.00 0.00 0.00 44.72 43.76 2dks s GLY 4 CO -0.16 2.99 0.67 -0.56 0.00 0.00 0.00 173.10 176.04 2dks s SER 5 N 1.55 -0.65 0.27 1.64 0.01 -1.26 -5.14 113.70 110.13 2dks s SER 5 Ca 0.17 0.62 -0.30 0.00 1.31 0.00 0.00 55.95 57.76 2dks s SER 5 Cb -0.12 0.55 -0.14 0.00 0.21 0.00 0.00 66.02 66.52 2dks s SER 5 CO -0.04 -0.66 1.21 -1.20 0.41 0.00 0.00 173.24 172.96 2dks n SER 6 N 0.74 2.08 0.00 2.44 7.64 -1.26 -4.67 113.62 120.59 2dks n SER 6 Ca -0.19 1.17 0.00 0.00 1.01 0.00 0.00 58.87 60.86 2dks n SER 6 Cb 0.58 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 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 1.46 0.82 2.35 0.23 0.00 -1.26 -4.17 105.19 104.63 2dks n GLY 7 Ca 0.10 -0.76 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 2dks n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dks n THR 8 N 0.00 2.03 -3.64 2.61 -2.24 -1.26 -5.03 114.28 106.75 2dks n THR 8 Ca 0.00 -3.74 -0.06 0.00 -2.27 0.00 0.00 64.05 57.98 2dks n THR 8 Cb 0.00 -0.20 -0.07 0.00 -2.10 0.00 0.00 70.33 67.96 2dks n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dks s ALA 9 N -3.67 -2.06 -0.19 6.98 0.00 -1.26 -5.14 121.76 116.42 2dks s ALA 9 Ca 0.42 2.15 -0.10 0.00 0.00 0.00 0.00 51.96 54.43 2dks s ALA 9 Cb 0.38 -1.52 0.07 0.00 0.00 0.00 0.00 23.12 22.04 2dks s ALA 9 CO 0.00 -0.32 0.45 1.14 0.00 0.00 0.00 175.76 177.03 2dks s GLN 10 N 1.03 0.43 -0.64 0.00 -2.07 -1.26 -4.97 119.66 112.17 2dks s GLN 10 Ca -0.05 0.88 -0.37 0.00 -1.82 0.00 0.00 55.36 54.00 2dks s GLN 10 Cb -0.04 0.04 -0.18 0.00 -1.09 0.00 0.00 33.01 31.74 2dks s GLN 10 CO -0.12 -0.17 2.36 -0.11 -1.32 0.00 0.00 175.29 175.93 2dks n LEU 11 N 4.40 0.95 -4.61 2.60 7.94 -1.26 -4.68 117.00 122.34 2dks n LEU 11 Ca -0.21 0.37 -0.28 0.00 -1.11 0.00 0.00 56.01 54.78 2dks n LEU 11 Cb 0.55 -1.02 -0.10 0.00 0.53 0.00 0.00 43.42 43.38 2dks n LEU 11 CO 0.06 -0.80 -0.27 0.28 -1.11 0.00 0.00 177.39 175.55 2dks s THR 12 N 7.71 1.47 -0.01 1.96 -1.32 -1.17 -4.58 115.64 119.70 2dks s THR 12 Ca 1.22 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 59.69 2dks s THR 12 Cb -1.21 -2.68 0.01 0.00 -1.51 0.00 0.00 72.50 67.11 2dks s THR 12 CO 0.54 0.00 0.03 -0.63 -2.21 0.00 0.00 174.62 172.35 2dks s ILE 13 N -2.93 -0.01 -0.22 5.08 1.01 -1.26 -1.43 121.20 121.44 2dks s ILE 13 Ca 0.27 0.03 -0.00 0.00 0.00 0.00 0.00 60.65 60.95 2dks s ILE 13 Cb 0.07 -0.06 0.06 0.00 0.01 0.00 0.00 42.46 42.54 2dks s ILE 13 CO 0.13 0.01 -0.04 -0.70 0.00 0.00 0.00 174.94 174.35 2dks s GLU 14 N 0.19 1.43 0.31 2.79 2.12 -0.36 -4.85 118.70 120.33 2dks s GLU 14 Ca -0.01 -0.84 -0.29 0.00 0.36 0.00 0.00 54.97 54.19 2dks s GLU 14 Cb -0.02 -2.45 -0.10 0.00 0.26 0.00 0.00 34.13 31.82 2dks s GLU 14 CO -0.01 -0.59 1.38 0.00 -0.54 0.00 0.00 175.26 175.51 2dks s ALA 15 N 1.50 3.56 -0.18 6.30 0.00 -1.26 -1.63 121.76 130.04 2dks s ALA 15 Ca -0.04 1.33 -0.05 0.00 0.00 0.00 0.00 51.96 53.20 2dks s ALA 15 Cb -0.18 -3.53 0.06 0.00 0.00 0.00 0.00 23.12 19.48 2dks s ALA 15 CO -0.07 -0.74 0.09 0.08 0.00 0.00 0.00 175.76 175.13 2dks s VAL 16 N -0.71 -0.08 1.20 0.00 1.01 0.12 -3.05 120.40 118.89 2dks s VAL 16 Ca 0.53 -0.24 -0.20 0.00 0.00 0.00 0.00 61.98 62.07 2dks s VAL 16 Cb -0.42 -0.63 0.30 0.00 0.00 0.00 0.00 36.38 35.64 2dks s VAL 16 CO 0.51 -0.33 1.06 -0.81 0.00 0.00 0.00 175.10 175.53 2dks n PRO 17 N 5.27 -3.10 0.02 2.72 -0.04 -1.26 0.08 135.00 138.69 2dks n PRO 17 Ca -0.07 -1.70 -0.03 0.00 -0.04 0.00 0.00 63.50 61.66 2dks n PRO 17 Cb 0.48 -1.59 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 2dks n PRO 17 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dks n SER 18 N -4.82 0.87 -3.57 3.54 2.88 -1.17 -4.63 113.62 106.71 2dks n SER 18 Ca 0.15 0.39 -0.29 0.00 -1.33 0.00 0.00 58.87 57.79 2dks n SER 18 Cb 0.57 0.07 -0.12 0.00 -0.75 0.00 0.00 64.21 63.98 2dks n SER 18 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2dks s ASN 19 N -5.88 3.12 0.54 -3.46 2.20 -1.26 -3.27 114.94 106.92 2dks s ASN 19 Ca -0.03 -2.54 -0.02 0.00 -0.94 0.00 0.00 52.86 49.32 2dks s ASN 19 Cb 0.08 -0.71 0.02 0.00 -2.00 0.00 0.00 41.25 38.64 2dks s ASN 19 CO 0.82 -0.27 0.80 0.00 -2.94 0.00 0.00 177.10 175.51 2dks s ALA 20 N 0.55 3.60 0.25 3.54 0.00 -1.15 -4.91 121.76 123.64 2dks s ALA 20 Ca 0.20 -1.01 0.08 0.00 0.00 0.00 0.00 51.96 51.23 2dks s ALA 20 Cb -0.19 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 2dks s ALA 20 CO -0.03 -0.69 0.08 0.00 0.00 0.00 0.00 175.76 175.13 2dks s ALA 21 N -2.80 3.35 0.03 0.00 0.00 -1.26 -1.90 121.76 119.17 2dks s ALA 21 Ca 0.53 -1.53 -0.37 0.00 0.00 0.00 0.00 51.96 50.59 2dks s ALA 21 Cb -0.10 -1.01 -0.17 0.00 0.00 0.00 0.00 23.12 21.84 2dks s ALA 21 CO 0.41 0.28 1.39 0.39 0.00 0.00 0.00 175.76 178.22 2dks n GLU 22 N -0.95 1.11 -0.10 0.00 1.02 -1.23 -0.03 120.64 120.46 2dks n GLU 22 Ca -0.07 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 2dks n GLU 22 Cb 0.58 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 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 2.73 1.10 3.98 0.62 0.00 -0.32 -4.95 105.19 108.35 2dks n GLY 23 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 1.45 0.02 1.61 -0.14 0.95 -4.18 119.74 118.85 2dks s LYS 24 Ca 0.00 -0.99 0.09 0.00 -1.36 0.00 0.00 55.97 53.71 2dks s LYS 24 Cb 0.00 -2.23 -0.02 0.00 -1.68 0.00 0.00 37.83 33.89 2dks s LYS 24 CO 0.00 -1.66 -0.26 -1.21 -0.76 0.00 0.00 175.35 171.47 2dks s GLU 25 N -5.30 1.89 -0.07 1.68 8.01 -1.26 -2.17 118.70 121.48 2dks s GLU 25 Ca 0.68 -1.01 0.04 0.00 0.01 0.00 0.00 54.97 54.68 2dks s GLU 25 Cb -0.05 -1.96 0.00 0.00 -4.31 0.00 0.00 34.13 27.82 2dks s GLU 25 CO 0.46 0.52 -0.19 0.08 0.01 0.00 0.00 175.26 176.14 2dks s VAL 26 N -0.71 1.64 -0.40 2.63 1.01 0.13 -4.45 120.40 120.25 2dks s VAL 26 Ca 0.11 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 2dks s VAL 26 Cb -0.10 -1.43 0.06 0.00 0.00 0.00 0.00 36.38 34.92 2dks s VAL 26 CO 0.01 0.47 0.24 -0.22 0.00 0.00 0.00 175.10 175.59 2dks s LEU 27 N 0.28 4.98 -0.91 3.92 2.96 0.11 0.56 118.68 130.60 2dks s LEU 27 Ca -0.12 -1.34 -0.23 0.00 -0.22 0.00 0.00 54.13 52.22 2dks s LEU 27 Cb -0.15 -1.99 0.06 0.00 0.50 0.00 0.00 46.19 44.61 2dks s LEU 27 CO 0.05 -0.48 1.30 -0.76 -1.32 0.00 0.00 176.35 175.14 2dks s LEU 28 N 1.46 3.84 0.76 -0.68 1.43 -0.54 0.13 118.68 125.07 2dks s LEU 28 Ca 0.02 -1.31 -0.11 0.00 -1.03 0.00 0.00 54.13 51.70 2dks s LEU 28 Cb -0.22 -2.52 0.05 0.00 0.03 0.00 0.00 46.19 43.53 2dks s LEU 28 CO 0.03 -1.48 1.08 -0.76 0.23 0.00 0.00 176.35 175.45 2dks s LEU 29 N 4.58 2.92 -0.07 1.79 1.43 -0.65 -2.88 118.68 125.81 2dks s LEU 29 Ca 0.39 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 2dks s LEU 29 Cb -0.04 -4.36 0.02 0.00 0.03 0.00 0.00 46.19 41.84 2dks s LEU 29 CO -0.03 -1.86 -0.04 -0.69 0.23 0.00 0.00 176.35 173.96 2dks s VAL 30 N -3.00 0.63 0.50 -1.59 1.01 -1.26 -1.22 120.40 115.47 2dks s VAL 30 Ca 0.60 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.53 2dks s VAL 30 Cb -0.16 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.56 2dks s VAL 30 CO 0.55 0.27 0.43 -1.00 0.00 0.00 0.00 175.10 175.36 2dks s HIS 31 N 1.31 1.98 -1.15 5.22 0.09 -0.51 -4.55 115.29 117.67 2dks s HIS 31 Ca -0.04 -0.71 0.00 0.00 -0.00 0.00 0.00 55.06 54.31 2dks s HIS 31 Cb -0.14 -2.03 0.00 0.00 -0.00 0.00 0.00 32.58 30.41 2dks s HIS 31 CO -0.02 -0.42 0.00 0.09 -0.00 0.00 0.00 174.74 174.39 2dks n ASN 32 N -1.73 -3.48 -4.35 1.40 3.02 -1.26 -3.06 115.26 105.80 2dks n ASN 32 Ca 0.02 0.25 -0.35 0.00 -0.03 0.00 0.00 54.58 54.47 2dks n ASN 32 Cb 0.63 -3.12 0.09 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 -2.29 -1.13 0.00 3.41 4.77 -1.26 -4.29 117.00 116.20 2dks n LEU 33 Ca -0.13 0.39 -0.24 0.00 -0.03 0.00 0.00 56.01 56.00 2dks n LEU 33 Cb 0.50 -1.11 0.20 0.00 -2.33 0.00 0.00 43.42 40.68 2dks n LEU 33 CO 0.17 -3.98 0.48 -0.81 -1.33 0.00 0.00 177.39 171.93 2dks n PRO 34 N -0.51 -2.70 -0.04 3.23 -0.04 -1.26 -5.01 135.00 128.67 2dks n PRO 34 Ca 0.06 -1.38 -0.08 0.00 -0.04 0.00 0.00 63.50 62.05 2dks n PRO 34 Cb 0.53 -1.29 -0.07 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.04 -2.89 0.54 3.07 -2.00 -3.43 115.11 110.36 2dks h GLN 35 Ca -0.33 0.00 -0.61 0.00 0.09 0.00 0.00 58.65 57.81 2dks h GLN 35 Cb 0.99 0.01 -0.40 0.00 0.08 0.00 0.00 27.48 28.16 2dks h GLN 35 CO 0.21 0.49 -0.76 -0.51 0.09 0.00 0.00 178.83 178.35 2dks s ASP 36 N -5.84 3.45 -0.94 0.06 1.01 -1.26 -5.06 116.67 108.09 2dks s ASP 36 Ca -0.11 -2.65 -0.24 0.00 0.71 0.00 0.00 52.55 50.26 2dks s ASP 36 Cb -0.01 -0.93 -0.05 0.00 1.01 0.00 0.00 42.92 42.94 2dks s ASP 36 CO 0.40 -0.26 1.95 -2.16 0.21 0.00 0.00 175.17 175.31 2dks s PRO 37 N 0.35 2.54 0.52 8.23 0.04 -1.26 -1.39 135.00 144.03 2dks s PRO 37 Ca 0.19 -0.41 0.38 0.00 0.04 0.00 0.00 61.00 61.20 2dks s PRO 37 Cb -0.21 -5.09 1.54 0.00 0.04 0.00 0.00 34.50 30.78 2dks s PRO 37 CO -0.02 -3.46 1.72 -0.09 0.04 0.00 0.00 177.00 175.19 2dks h ARG 38 N 11.08 0.05 0.00 4.56 2.43 0.30 -3.42 114.38 129.38 2dks h ARG 38 Ca 0.11 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2dks h ARG 38 Cb 1.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 2dks h ARG 38 CO 1.21 0.03 0.00 0.41 -1.51 0.00 0.00 179.97 180.11 2dks n GLY 39 N -1.75 1.02 3.85 2.80 0.00 -0.91 -2.19 105.19 108.01 2dks n GLY 39 Ca 0.32 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 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 3.09 -0.29 1.61 2.02 0.96 -0.02 117.35 122.72 2dks s TYR 40 Ca 0.00 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.56 2dks s TYR 40 Cb 0.00 -1.52 0.18 0.00 -0.40 0.00 0.00 41.96 40.22 2dks s TYR 40 CO 0.00 0.42 0.54 -0.80 -1.57 0.00 0.00 175.55 174.14 2dks s ASN 41 N -3.90 -0.97 0.30 2.29 0.01 0.28 -1.76 114.94 111.19 2dks s ASN 41 Ca 0.35 0.48 -0.06 0.00 -0.71 0.00 0.00 52.86 52.93 2dks s ASN 41 Cb -0.08 1.84 -0.05 0.00 0.41 0.00 0.00 41.25 43.38 2dks s ASN 41 CO 0.26 -0.29 0.57 0.26 -1.51 0.00 0.00 177.10 176.40 2dks s TRP 42 N 2.76 3.47 0.22 2.20 0.52 -0.14 -0.15 118.94 127.84 2dks s TRP 42 Ca 0.16 0.69 -0.08 0.00 0.02 0.00 0.00 56.10 56.89 2dks s TRP 42 Cb -0.14 -2.14 -0.02 0.00 -1.15 0.00 0.00 33.47 30.02 2dks s TRP 42 CO -0.22 0.15 0.32 0.71 0.02 0.00 0.00 176.95 177.94 2dks s TYR 43 N -2.10 0.70 -0.14 -1.98 1.51 0.11 -2.17 117.35 113.28 2dks s TYR 43 Ca 0.45 -1.00 -0.02 0.00 -1.01 0.00 0.00 57.07 55.48 2dks s TYR 43 Cb -0.11 -0.13 -0.02 0.00 -0.11 0.00 0.00 41.96 41.59 2dks s TYR 43 CO 0.30 -0.83 -0.07 0.21 -1.11 0.00 0.00 175.55 174.04 2dks s LYS 44 N -4.08 3.51 0.00 -0.62 2.20 -1.03 -2.73 119.74 117.00 2dks s LYS 44 Ca 0.29 -0.58 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 2dks s LYS 44 Cb 0.03 -2.79 0.00 0.00 -1.51 0.00 0.00 37.83 33.55 2dks s LYS 44 CO 0.10 0.26 0.00 0.41 -0.36 0.00 0.00 175.35 175.76 2dks n GLY 45 N 3.43 0.23 0.63 5.54 0.00 -0.42 -4.76 105.19 109.85 2dks n GLY 45 Ca -0.18 -1.89 0.06 0.00 0.00 0.00 0.00 46.02 44.02 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 0.96 -3.73 1.61 1.02 -1.26 -2.39 120.64 116.85 2dks n GLU 46 Ca 0.00 -2.53 -0.02 0.00 -0.02 0.00 0.00 57.16 54.59 2dks n GLU 46 Cb 0.00 -1.10 -0.01 0.00 -0.02 0.00 0.00 31.44 30.31 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 -2.03 0.00 -0.54 2.62 -1.32 -1.26 -5.00 115.64 108.11 2dks s THR 47 Ca 0.30 -0.56 -0.27 0.00 -1.21 0.00 0.00 61.69 59.96 2dks s THR 47 Cb 0.30 -2.02 -0.02 0.00 -1.51 0.00 0.00 72.50 69.24 2dks s THR 47 CO -0.05 0.00 1.90 -0.69 -2.21 0.00 0.00 174.62 173.56 2dks s VAL 48 N -3.05 3.35 -0.33 5.08 1.01 -1.26 -4.74 120.40 120.46 2dks s VAL 48 Ca 0.13 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.38 2dks s VAL 48 Cb 0.00 -3.80 0.09 0.00 0.00 0.00 0.00 36.38 32.67 2dks s VAL 48 CO 0.01 -0.72 0.03 -1.81 0.00 0.00 0.00 175.10 172.60 2dks s ASP 49 N 8.06 4.75 0.31 3.32 1.01 -1.26 -4.97 116.67 127.90 2dks s ASP 49 Ca 0.72 -1.92 -0.00 0.00 0.71 0.00 0.00 52.55 52.06 2dks s ASP 49 Cb -0.15 -1.64 0.51 0.00 1.01 0.00 0.00 42.92 42.66 2dks s ASP 49 CO 0.24 -0.35 1.97 0.00 0.21 0.00 0.00 175.17 177.24 2dks h ALA 50 N 7.72 1.47 0.00 5.23 0.00 -1.98 -0.49 119.26 131.21 2dks h ALA 50 Ca -0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2dks h ALA 50 Cb 1.03 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2dks h ALA 50 CO 0.53 0.47 -0.11 -0.91 0.00 0.00 0.00 179.25 179.23 2dks h ASN 51 N 1.03 0.00 -0.39 0.00 4.21 -2.00 -1.83 115.58 116.60 2dks h ASN 51 Ca 0.30 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.81 2dks h ASN 51 Cb -0.06 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.14 2dks h ASN 51 CO -0.08 0.11 0.00 0.54 -1.29 0.00 0.00 177.43 176.72 2dks n ARG 52 N -3.54 3.26 -1.53 0.81 5.12 -0.31 -4.56 116.66 115.90 2dks n ARG 52 Ca -0.02 -2.68 -0.40 0.00 -1.93 0.00 0.00 57.85 52.83 2dks n ARG 52 Cb 0.25 -1.74 -0.05 0.00 -1.16 0.00 0.00 32.46 29.75 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 0.19 1.01 0.17 5.56 0.63 -0.53 -2.45 116.66 121.23 2dks n ARG 53 Ca 0.20 0.11 -0.14 0.00 -0.92 0.00 0.00 57.85 57.10 2dks n ARG 53 Cb 0.80 -2.99 -0.08 0.00 0.45 0.00 0.00 32.46 30.64 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 7.60 0.75 -1.53 5.15 2.04 -1.64 -3.19 117.51 126.68 2dks h ILE 54 Ca -0.24 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 65.66 2dks h ILE 54 Cb 1.28 0.78 -0.25 0.00 -0.74 0.00 0.00 36.82 37.89 2dks h ILE 54 CO 1.15 0.01 0.55 -0.51 0.00 0.00 0.00 178.15 179.35 2dks s ILE 55 N -6.04 0.00 -0.03 -0.67 2.07 -1.23 -2.87 121.20 112.43 2dks s ILE 55 Ca -0.15 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.10 2dks s ILE 55 Cb 0.05 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.65 2dks s ILE 55 CO 0.64 0.00 -0.03 -0.83 -1.91 0.00 0.00 174.94 172.81 2dks s GLY 56 N -0.65 0.33 -0.00 1.50 0.00 -1.17 -0.97 107.32 106.36 2dks s GLY 56 Ca 0.01 -0.02 0.06 0.00 0.00 0.00 0.00 44.72 44.76 2dks s GLY 56 CO -0.02 0.31 -0.18 -0.47 0.00 0.00 0.00 173.10 172.75 2dks s TYR 57 N 0.65 1.59 -0.23 1.90 5.04 -0.72 -1.70 117.35 123.88 2dks s TYR 57 Ca -0.08 -0.31 -0.00 0.00 -2.44 0.00 0.00 57.07 54.24 2dks s TYR 57 Cb -0.11 -1.01 0.03 0.00 0.35 0.00 0.00 41.96 41.22 2dks s TYR 57 CO -0.00 -0.00 -0.10 0.08 -1.34 0.00 0.00 175.55 174.18 2dks s VAL 58 N -0.50 2.59 0.36 3.14 1.01 -0.47 -0.03 120.40 126.50 2dks s VAL 58 Ca 0.07 -1.09 0.15 0.00 0.00 0.00 0.00 61.98 61.10 2dks s VAL 58 Cb -0.07 -2.30 0.13 0.00 0.00 0.00 0.00 36.38 34.14 2dks s VAL 58 CO -0.00 0.24 1.86 0.40 0.00 0.00 0.00 175.10 177.60 2dks h ILE 59 N 6.19 1.13 -0.30 2.22 2.04 -1.69 1.53 117.51 128.62 2dks h ILE 59 Ca -0.34 -1.18 0.05 0.00 1.00 0.00 0.00 64.86 64.40 2dks h ILE 59 Cb 1.10 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 38.79 2dks h ILE 59 CO 0.57 0.32 0.03 0.77 0.00 0.00 0.00 178.15 179.84 2dks h SER 60 N 0.00 -0.06 -0.00 1.72 4.64 -1.85 -3.08 113.55 114.91 2dks h SER 60 Ca -0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2dks h SER 60 Cb 0.63 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2dks h SER 60 CO 0.04 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.54 2dks n ASN 61 N -5.13 2.24 -4.16 4.97 6.94 -1.16 -4.99 115.26 113.97 2dks n ASN 61 Ca 0.00 -2.75 -0.30 0.00 -0.02 0.00 0.00 54.58 51.51 2dks n ASN 61 Cb 0.15 -0.30 -0.09 0.00 -2.36 0.00 0.00 39.78 37.18 2dks n ASN 61 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2dks n GLN 62 N -1.15 -0.91 -4.26 -3.83 6.02 0.52 -4.90 117.38 108.87 2dks n GLN 62 Ca 0.11 0.09 -0.35 0.00 -0.01 0.00 0.00 57.00 56.84 2dks n GLN 62 Cb 0.52 -3.39 -0.09 0.00 1.02 0.00 0.00 30.24 28.30 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 -6.92 3.21 -0.12 -1.09 0.74 -0.82 -4.90 119.66 109.76 2dks s GLN 63 Ca 0.12 -0.36 0.01 0.00 0.05 0.00 0.00 55.36 55.17 2dks s GLN 63 Cb -0.07 -2.91 -0.01 0.00 1.10 0.00 0.00 33.01 31.12 2dks s GLN 63 CO 0.91 0.64 -0.17 0.42 -0.55 0.00 0.00 175.29 176.54 2dks s ILE 64 N -0.69 2.72 -0.33 -2.34 1.01 -1.26 -1.36 121.20 118.94 2dks s ILE 64 Ca 0.11 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 2dks s ILE 64 Cb -0.12 -2.11 0.11 0.00 0.01 0.00 0.00 42.46 40.35 2dks s ILE 64 CO 0.02 0.54 0.13 -0.89 0.00 0.00 0.00 174.94 174.74 2dks s THR 65 N 0.37 0.74 0.27 2.92 2.01 -0.69 -5.04 115.64 116.22 2dks s THR 65 Ca -0.13 -1.49 -0.29 0.00 0.31 0.00 0.00 61.69 60.08 2dks s THR 65 Cb -0.17 -1.56 -0.10 0.00 0.01 0.00 0.00 72.50 70.69 2dks s THR 65 CO 0.07 -0.74 1.25 -2.16 -0.69 0.00 0.00 174.62 172.34 2dks s PRO 66 N 1.47 4.44 0.00 4.92 0.04 -1.26 -3.03 135.00 141.58 2dks s PRO 66 Ca 0.12 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2dks s PRO 66 Cb -0.19 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2dks s PRO 66 CO -0.21 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.13 2dks n GLY 67 N 1.41 1.47 0.19 0.56 0.00 -1.14 -4.99 105.19 102.69 2dks n GLY 67 Ca 0.02 -2.05 -0.03 0.00 0.00 0.00 0.00 46.02 43.97 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 0.22 -1.38 1.61 0.13 -1.82 -3.07 132.00 127.69 2dks h PRO 68 Ca 0.00 -0.12 -0.09 0.00 -0.87 0.00 0.00 66.00 64.92 2dks h PRO 68 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.09 2dks h PRO 68 CO 0.00 0.64 0.12 0.00 -0.23 0.00 0.00 178.00 178.53 2dks n ALA 69 N -2.47 3.61 -2.77 -0.56 0.00 -1.24 -4.84 120.51 112.23 2dks n ALA 69 Ca -0.02 -0.49 -0.35 0.00 0.00 0.00 0.00 53.44 52.58 2dks n ALA 69 Cb 0.51 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.55 3.17 -0.14 0.00 5.04 -1.16 -4.40 117.35 119.31 2dks s TYR 70 Ca 0.09 0.09 0.15 0.00 -2.44 0.00 0.00 57.07 54.96 2dks s TYR 70 Cb 0.08 -1.89 0.32 0.00 0.35 0.00 0.00 41.96 40.83 2dks s TYR 70 CO 0.01 0.32 1.17 0.43 -1.34 0.00 0.00 175.55 176.14 2dks n SER 71 N 2.68 1.87 -2.44 4.32 7.64 -1.26 -4.96 113.62 121.47 2dks n SER 71 Ca -0.18 -3.25 -0.08 0.00 1.01 0.00 0.00 58.87 56.37 2dks n SER 71 Cb 0.53 -0.44 -0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2dks n SER 71 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2dks n ASN 72 N -1.11 -2.83 0.00 6.43 0.23 -1.26 -4.70 115.26 112.03 2dks n ASN 72 Ca 0.15 0.30 0.00 0.00 -0.53 0.00 0.00 54.58 54.51 2dks n ASN 72 Cb 0.69 -2.46 0.00 0.00 -2.08 0.00 0.00 39.78 35.93 2dks n ASN 72 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 2dks n ARG 73 N -2.67 1.85 -3.49 -3.83 1.85 -1.26 -5.03 116.66 104.08 2dks n ARG 73 Ca -0.09 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.38 2dks n ARG 73 Cb 0.56 -0.94 -0.06 0.00 -1.05 0.00 0.00 32.46 30.98 2dks n ARG 73 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2dks s GLU 74 N -1.80 4.03 -0.07 2.89 2.02 -1.26 -2.21 118.70 122.31 2dks s GLU 74 Ca 0.00 0.34 0.02 0.00 0.02 0.00 0.00 54.97 55.35 2dks s GLU 74 Cb 0.00 -3.30 0.01 0.00 0.10 0.00 0.00 34.13 30.95 2dks s GLU 74 CO 0.00 0.51 -0.11 0.99 0.02 0.00 0.00 175.26 176.67 2dks s THR 75 N -0.48 1.10 0.83 3.63 2.01 -0.87 -4.92 115.64 116.96 2dks s THR 75 Ca 0.22 -0.45 -0.11 0.00 0.31 0.00 0.00 61.69 61.66 2dks s THR 75 Cb -0.15 -1.02 0.09 0.00 0.01 0.00 0.00 72.50 71.42 2dks s THR 75 CO 0.11 0.35 1.10 -0.63 -0.69 0.00 0.00 174.62 174.85 2dks s ILE 76 N 0.78 2.90 0.15 1.82 1.09 -1.26 -0.89 121.20 125.79 2dks s ILE 76 Ca -0.13 0.29 0.03 0.00 -1.10 0.00 0.00 60.65 59.75 2dks s ILE 76 Cb -0.15 -2.95 -0.04 0.00 -1.06 0.00 0.00 42.46 38.25 2dks s ILE 76 CO 0.02 -0.38 -0.06 -0.31 -0.10 0.00 0.00 174.94 174.11 2dks s TYR 77 N -3.09 1.17 -2.00 3.97 1.51 0.13 -4.88 117.35 114.16 2dks s TYR 77 Ca 0.62 -0.88 0.12 0.00 -1.01 0.00 0.00 57.07 55.91 2dks s TYR 77 Cb -0.16 -0.64 0.69 0.00 -0.11 0.00 0.00 41.96 41.75 2dks s TYR 77 CO 0.55 -0.07 1.12 -0.35 -1.11 0.00 0.00 175.55 175.70 2dks n PRO 78 N -0.18 0.49 -0.03 -1.71 -0.04 -1.26 -1.85 135.00 130.42 2dks n PRO 78 Ca -0.09 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.40 2dks n PRO 78 Cb 0.62 -1.37 0.05 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 -0.87 2.14 -0.57 3.54 4.13 -1.26 -4.96 115.26 117.40 2dks n ASN 79 Ca 0.09 -2.43 -0.05 0.00 1.68 0.00 0.00 54.58 53.87 2dks n ASN 79 Cb 0.04 -0.17 -0.01 0.00 -1.54 0.00 0.00 39.78 38.11 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 -0.87 -0.14 -2.77 5.41 0.00 -0.77 -4.53 120.51 116.84 2dks n ALA 80 Ca 0.06 0.05 -0.29 0.00 0.00 0.00 0.00 53.44 53.27 2dks n ALA 80 Cb 0.40 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.79 5.43 -0.12 0.00 0.01 -1.25 -4.67 113.70 110.31 2dks s SER 81 Ca 0.00 -0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.18 2dks s SER 81 Cb 0.00 -1.41 0.02 0.00 0.21 0.00 0.00 66.02 64.84 2dks s SER 81 CO 0.00 0.13 -0.12 -0.22 0.41 0.00 0.00 173.24 173.44 2dks s LEU 82 N -2.67 1.51 -0.52 2.44 2.96 -1.14 0.18 118.68 121.44 2dks s LEU 82 Ca 0.29 -0.38 -0.18 0.00 -0.22 0.00 0.00 54.13 53.64 2dks s LEU 82 Cb -0.11 -0.99 0.08 0.00 0.50 0.00 0.00 46.19 45.67 2dks s LEU 82 CO 0.22 -0.05 0.57 -0.22 -1.32 0.00 0.00 176.35 175.55 2dks s LEU 83 N 1.34 5.31 0.12 -0.68 2.96 -0.07 -1.47 118.68 126.19 2dks s LEU 83 Ca -0.00 -1.19 -0.28 0.00 -0.22 0.00 0.00 54.13 52.44 2dks s LEU 83 Cb -0.14 -2.33 -0.06 0.00 0.50 0.00 0.00 46.19 44.16 2dks s LEU 83 CO -0.06 -0.87 0.87 -0.32 -1.32 0.00 0.00 176.35 174.65 2dks s MET 84 N 2.31 4.64 0.27 1.98 -2.45 0.19 -2.05 119.30 124.19 2dks s MET 84 Ca 0.11 1.30 0.11 0.00 -1.25 0.00 0.00 55.69 55.96 2dks s MET 84 Cb -0.22 -3.34 -0.05 0.00 1.25 0.00 0.00 34.83 32.46 2dks s MET 84 CO 0.09 0.33 -0.19 1.03 1.05 0.00 0.00 175.02 177.32 2dks s ARG 85 N -0.33 1.63 -1.56 4.11 0.52 -0.94 0.19 118.95 122.57 2dks s ARG 85 Ca 0.42 -1.74 -0.09 0.00 -0.52 0.00 0.00 55.73 53.80 2dks s ARG 85 Cb -0.23 -1.69 0.08 0.00 0.52 0.00 0.00 34.95 33.62 2dks s ARG 85 CO 0.27 0.32 0.56 0.09 0.02 0.00 0.00 175.30 176.56 2dks n ASN 86 N -0.56 -1.62 -4.71 0.23 3.02 -0.97 -4.82 115.26 105.84 2dks n ASN 86 Ca -0.06 -1.03 -0.31 0.00 -0.03 0.00 0.00 54.58 53.15 2dks n ASN 86 Cb 0.60 -2.79 0.14 0.00 -0.61 0.00 0.00 39.78 37.12 2dks n ASN 86 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2dks s VAL 87 N -3.68 2.45 0.05 2.41 -7.23 -0.92 -4.56 120.40 108.92 2dks s VAL 87 Ca 0.35 0.15 -0.01 0.00 -1.81 0.00 0.00 61.98 60.67 2dks s VAL 87 Cb -0.19 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 2dks s VAL 87 CO 0.92 -0.19 -0.03 0.42 -0.31 0.00 0.00 175.10 175.91 2dks s THR 88 N -2.67 0.25 0.66 5.32 -4.23 -1.26 -1.18 115.64 112.53 2dks s THR 88 Ca 0.66 -1.69 0.25 0.00 -1.18 0.00 0.00 61.69 59.73 2dks s THR 88 Cb -0.22 -1.35 0.26 0.00 1.34 0.00 0.00 72.50 72.54 2dks s THR 88 CO 0.56 -0.91 1.76 0.08 -0.54 0.00 0.00 174.62 175.57 2dks h ARG 89 N 3.36 0.00 0.00 3.99 0.11 -1.96 0.10 114.38 119.99 2dks h ARG 89 Ca -0.34 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.66 2dks h ARG 89 Cb 1.15 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.24 2dks h ARG 89 CO 0.62 0.00 -0.32 -0.97 0.10 0.00 0.00 179.97 179.41 2dks h ASN 90 N 0.00 0.27 -1.20 0.08 -1.24 -1.95 -3.26 115.58 108.29 2dks h ASN 90 Ca 0.03 -0.79 0.41 0.00 0.71 0.00 0.00 56.30 56.66 2dks h ASN 90 Cb 0.96 -0.08 -0.14 0.00 0.73 0.00 0.00 38.32 39.79 2dks h ASN 90 CO -0.00 1.02 0.74 0.44 -1.29 0.00 0.00 177.43 178.34 2dks h ASP 91 N -0.45 0.31 -1.43 1.15 5.19 -1.19 -3.40 116.42 116.60 2dks h ASP 91 Ca -0.04 0.17 -0.76 0.00 -0.62 0.00 0.00 57.03 55.77 2dks h ASP 91 Cb 1.08 0.15 0.02 0.00 0.18 0.00 0.00 39.33 40.75 2dks h ASP 91 CO 0.06 -0.21 0.78 0.41 -3.12 0.00 0.00 179.24 177.17 2dks n THR 92 N -4.85 0.20 0.00 0.35 -1.04 -1.23 -4.49 114.28 103.22 2dks n THR 92 Ca 0.36 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 2dks n THR 92 Cb 1.31 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 68.82 2dks n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dks n GLY 93 N 3.89 -1.57 3.53 3.41 0.00 -1.26 -5.06 105.19 108.13 2dks n GLY 93 Ca 0.26 0.71 -0.16 0.00 0.00 0.00 0.00 46.02 46.83 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 -0.65 -0.05 1.61 0.01 -1.26 -4.83 113.70 104.52 2dks s SER 94 Ca 0.00 0.91 -0.02 0.00 1.31 0.00 0.00 55.95 58.15 2dks s SER 94 Cb 0.00 0.83 0.04 0.00 0.21 0.00 0.00 66.02 67.10 2dks s SER 94 CO 0.00 -0.47 0.09 -0.31 0.41 0.00 0.00 173.24 172.97 2dks s TYR 95 N -0.64 -0.02 -0.15 2.43 1.51 -1.01 -1.30 117.35 118.17 2dks s TYR 95 Ca -0.07 0.37 -0.07 0.00 -1.01 0.00 0.00 57.07 56.29 2dks s TYR 95 Cb -0.02 -0.39 -0.04 0.00 -0.11 0.00 0.00 41.96 41.40 2dks s TYR 95 CO 0.06 -0.21 0.09 0.99 -1.11 0.00 0.00 175.55 175.37 2dks s THR 96 N 2.14 5.04 -0.19 -0.71 2.01 -1.10 -0.20 115.64 122.63 2dks s THR 96 Ca 0.04 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.08 2dks s THR 96 Cb -0.12 -3.22 0.04 0.00 0.01 0.00 0.00 72.50 69.21 2dks s THR 96 CO -0.04 0.54 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.12 2dks s LEU 97 N -0.34 2.10 -0.19 4.42 1.98 -1.11 0.09 118.68 125.62 2dks s LEU 97 Ca 0.10 -0.84 -0.09 0.00 -2.89 0.00 0.00 54.13 50.42 2dks s LEU 97 Cb -0.12 -1.14 -0.04 0.00 0.66 0.00 0.00 46.19 45.55 2dks s LEU 97 CO 0.01 -0.16 0.09 -1.58 -1.89 0.00 0.00 176.35 172.83 2dks s GLN 98 N 1.47 4.06 -0.18 1.98 0.74 0.79 -3.24 119.66 125.29 2dks s GLN 98 Ca -0.01 -0.29 -0.02 0.00 0.05 0.00 0.00 55.36 55.10 2dks s GLN 98 Cb -0.16 -3.31 -0.01 0.00 1.10 0.00 0.00 33.01 30.63 2dks s GLN 98 CO -0.08 0.27 -0.11 0.54 -0.55 0.00 0.00 175.29 175.36 2dks s VAL 99 N 0.41 2.99 0.06 1.34 0.11 -1.06 -0.56 120.40 123.70 2dks s VAL 99 Ca 0.05 -0.64 -0.22 0.00 -2.93 0.00 0.00 61.98 58.24 2dks s VAL 99 Cb -0.12 -2.31 -0.06 0.00 -1.53 0.00 0.00 36.38 32.36 2dks s VAL 99 CO -0.01 0.48 0.65 -0.63 -3.33 0.00 0.00 175.10 172.27 2dks s ILE 100 N 1.02 4.72 0.47 7.04 1.09 0.97 -1.65 121.20 134.86 2dks s ILE 100 Ca -0.01 1.40 0.02 0.00 -1.10 0.00 0.00 60.65 60.96 2dks s ILE 100 Cb -0.15 -4.00 0.01 0.00 -1.06 0.00 0.00 42.46 37.27 2dks s ILE 100 CO -0.02 0.47 0.68 -0.54 -0.10 0.00 0.00 174.94 175.43 2dks s LYS 101 N -0.62 2.88 0.35 2.79 3.01 0.11 0.25 119.74 128.50 2dks s LYS 101 Ca 0.33 -0.70 0.27 0.00 -1.01 0.00 0.00 55.97 54.86 2dks s LYS 101 Cb -0.20 -2.58 1.04 0.00 -1.01 0.00 0.00 37.83 35.08 2dks s LYS 101 CO 0.21 -0.38 1.79 -0.07 0.51 0.00 0.00 175.35 177.40 2dks h LEU 102 N 0.36 0.00 -2.87 3.17 -0.00 -1.55 -2.88 115.31 111.54 2dks h LEU 102 Ca -0.44 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.24 2dks h LEU 102 Cb 1.27 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.81 2dks h LEU 102 CO 0.54 0.00 0.26 -0.46 -0.00 0.00 0.00 178.44 178.78 2dks n ASN 103 N -2.54 3.43 -3.52 -0.43 6.94 -1.26 -4.85 115.26 113.03 2dks n ASN 103 Ca 0.02 -2.75 -0.19 0.00 -0.02 0.00 0.00 54.58 51.64 2dks n ASN 103 Cb 0.29 -0.66 0.08 0.00 -2.36 0.00 0.00 39.78 37.13 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 -0.18 -3.74 -4.46 -4.53 4.77 -1.09 -5.01 117.00 102.76 2dks n LEU 104 Ca 0.27 -0.66 -0.23 0.00 -0.03 0.00 0.00 56.01 55.37 2dks n LEU 104 Cb 1.02 -3.01 -0.09 0.00 -2.33 0.00 0.00 43.42 39.02 2dks n LEU 104 CO 0.28 0.42 -0.22 -0.04 -1.33 0.00 0.00 177.39 176.51 2dks s MET 105 N -5.63 1.78 -0.13 3.23 -1.94 -1.23 -4.95 119.30 110.42 2dks s MET 105 Ca 0.09 -2.05 -0.22 0.00 -1.71 0.00 0.00 55.69 51.80 2dks s MET 105 Cb -0.04 -0.58 0.05 0.00 2.01 0.00 0.00 34.83 36.27 2dks s MET 105 CO 0.75 -0.39 0.55 -1.54 -0.01 0.00 0.00 175.02 174.37 2dks s SER 106 N -3.53 -0.53 0.28 3.03 1.04 -1.26 0.10 113.70 112.83 2dks s SER 106 Ca 0.29 0.84 0.10 0.00 0.48 0.00 0.00 55.95 57.66 2dks s SER 106 Cb 0.05 0.84 -0.05 0.00 0.10 0.00 0.00 66.02 66.95 2dks s SER 106 CO 0.15 -0.35 -0.15 -1.61 0.98 0.00 0.00 173.24 172.26 2dks s GLU 107 N -0.38 1.65 0.02 4.02 2.02 -0.66 -4.95 118.70 120.41 2dks s GLU 107 Ca -0.05 -1.79 0.07 0.00 0.02 0.00 0.00 54.97 53.22 2dks s GLU 107 Cb -0.03 -1.59 -0.02 0.00 0.10 0.00 0.00 34.13 32.58 2dks s GLU 107 CO 0.04 0.23 -0.21 -1.21 0.02 0.00 0.00 175.26 174.13 2dks s GLU 108 N -3.58 1.55 -0.27 1.61 2.02 -1.26 -2.55 118.70 116.22 2dks s GLU 108 Ca 0.29 -0.86 -0.01 0.00 0.02 0.00 0.00 54.97 54.41 2dks s GLU 108 Cb -0.02 -1.59 0.16 0.00 0.10 0.00 0.00 34.13 32.79 2dks s GLU 108 CO 0.14 0.42 0.47 0.54 0.02 0.00 0.00 175.26 176.85 2dks s VAL 109 N -0.65 -0.77 -0.45 2.63 0.11 -1.20 -4.81 120.40 115.25 2dks s VAL 109 Ca 0.08 -0.05 -0.28 0.00 -2.93 0.00 0.00 61.98 58.79 2dks s VAL 109 Cb -0.08 -0.90 0.01 0.00 -1.53 0.00 0.00 36.38 33.87 2dks s VAL 109 CO 0.01 -0.08 1.46 -0.89 -3.33 0.00 0.00 175.10 172.26 2dks s THR 110 N 2.68 3.83 -0.14 5.04 2.01 -1.26 -2.76 115.64 125.04 2dks s THR 110 Ca 0.16 0.81 -0.01 0.00 0.31 0.00 0.00 61.69 62.95 2dks s THR 110 Cb -0.15 -4.21 0.04 0.00 0.01 0.00 0.00 72.50 68.19 2dks s THR 110 CO -0.19 -0.83 -0.02 -0.83 -0.69 0.00 0.00 174.62 172.06 2dks s GLY 111 N 4.35 0.73 0.19 4.40 0.00 0.72 -4.68 107.32 113.03 2dks s GLY 111 Ca 0.61 -0.55 0.04 0.00 0.00 0.00 0.00 44.72 44.82 2dks s GLY 111 CO 0.31 1.10 0.16 0.61 0.00 0.00 0.00 173.10 175.27 2dks n GLN 112 N 5.01 0.25 -3.77 2.90 0.00 -1.26 -3.81 117.38 116.71 2dks n GLN 112 Ca -0.10 -1.91 -0.15 0.00 0.00 0.00 0.00 57.00 54.84 2dks n GLN 112 Cb 0.49 1.55 -0.06 0.00 0.00 0.00 0.00 30.24 32.22 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 -0.37 -0.80 -4.45 2.61 -1.74 -1.26 -4.53 117.46 106.93 2dks n PHE 113 Ca 0.04 -2.22 -0.23 0.00 -0.56 0.00 0.00 57.45 54.48 2dks n PHE 113 Cb 0.35 0.29 -0.16 0.00 1.52 0.00 0.00 39.48 41.47 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 -2.88 1.52 0.12 5.98 0.15 -1.20 -4.18 113.70 113.21 2dks s SER 114 Ca 0.31 -0.25 0.04 0.00 0.70 0.00 0.00 55.95 56.75 2dks s SER 114 Cb 0.01 -0.71 -0.04 0.00 -1.71 0.00 0.00 66.02 63.57 2dks s SER 114 CO 0.22 0.00 0.09 -0.69 1.20 0.00 0.00 173.24 174.07 2dks s VAL 115 N 0.75 4.46 -0.09 4.45 1.01 -1.26 -2.96 120.40 126.77 2dks s VAL 115 Ca -0.13 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 60.85 2dks s VAL 115 Cb -0.15 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.05 2dks s VAL 115 CO 0.02 0.03 0.24 -1.38 0.00 0.00 0.00 175.10 174.01 2dks s HIS 116 N -1.53 -0.26 0.31 5.22 -3.43 -0.80 -4.82 115.29 109.98 2dks s HIS 116 Ca 0.30 0.64 -0.29 0.00 -0.80 0.00 0.00 55.06 54.91 2dks s HIS 116 Cb -0.11 0.09 -0.10 0.00 -1.43 0.00 0.00 32.58 31.02 2dks s HIS 116 CO 0.22 -0.13 1.23 -1.25 -2.00 0.00 0.00 174.74 172.81 2dks s PRO 117 N 0.17 4.47 -1.16 -0.38 0.04 -1.26 -3.47 135.00 133.41 2dks s PRO 117 Ca -0.00 2.06 -0.21 0.00 0.04 0.00 0.00 61.00 62.88 2dks s PRO 117 Cb -0.02 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 2dks s PRO 117 CO -0.00 -0.03 1.82 -1.21 0.04 0.00 0.00 177.00 177.61 2dks s GLU 118 N -1.66 3.11 0.03 4.56 2.02 -1.26 -4.89 118.70 120.61 2dks s GLU 118 Ca 0.47 -1.30 -0.00 0.00 0.02 0.00 0.00 54.97 54.16 2dks s GLU 118 Cb -0.37 -5.33 -0.03 0.00 0.10 0.00 0.00 34.13 28.51 2dks s GLU 118 CO 0.48 -3.13 -0.03 0.95 0.02 0.00 0.00 175.26 173.55 2dks s THR 119 N 7.99 0.17 1.02 3.63 -4.23 -1.26 -5.16 115.64 117.80 2dks s THR 119 Ca 0.61 -1.21 -0.13 0.00 -1.18 0.00 0.00 61.69 59.79 2dks s THR 119 Cb -0.00 -0.68 0.20 0.00 1.34 0.00 0.00 72.50 73.36 2dks s THR 119 CO 0.07 -0.66 1.09 -2.16 -0.54 0.00 0.00 174.62 172.42 2dks s PRO 120 N -2.26 0.24 -0.25 3.99 0.04 -1.26 -5.07 135.00 130.43 2dks s PRO 120 Ca -0.08 0.46 -0.02 0.00 0.04 0.00 0.00 61.00 61.39 2dks s PRO 120 Cb -0.04 -1.72 0.12 0.00 0.04 0.00 0.00 34.50 32.89 2dks s PRO 120 CO -0.04 -2.85 0.26 0.21 0.04 0.00 0.00 177.00 174.62 2dks s LYS 121 N -4.98 0.26 0.00 4.56 2.20 -1.26 -5.04 119.74 115.48 2dks s LYS 121 Ca 0.66 0.04 -0.24 0.00 -0.36 0.00 0.00 55.97 56.07 2dks s LYS 121 Cb -0.18 -0.91 -0.18 0.00 -1.51 0.00 0.00 37.83 35.04 2dks s LYS 121 CO 0.58 -0.84 1.30 -1.00 -0.36 0.00 0.00 175.35 175.03 2dks h PRO 122 N 8.29 0.13 -5.01 4.03 0.13 -1.97 -3.47 132.00 134.13 2dks h PRO 122 Ca -0.16 -0.07 -0.41 0.00 -0.87 0.00 0.00 66.00 64.50 2dks h PRO 122 Cb 1.11 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.10 2dks h PRO 122 CO 0.31 0.58 -0.60 -1.12 -0.23 0.00 0.00 178.00 176.94 2dks s SER 123 N -5.85 1.70 0.04 1.44 0.01 -1.26 -5.09 113.70 104.68 2dks s SER 123 Ca -0.15 -1.40 0.00 0.00 1.31 0.00 0.00 55.95 55.70 2dks s SER 123 Cb 0.03 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.36 2dks s SER 123 CO 0.70 -0.70 0.00 -0.38 0.41 0.00 0.00 173.24 173.27 2dks n ILE 124 N -0.57 0.22 -2.39 1.44 5.41 -1.26 -4.99 119.36 117.23 2dks n ILE 124 Ca -0.01 0.07 -0.42 0.00 1.00 0.00 0.00 62.75 63.40 2dks n ILE 124 Cb 0.66 -1.24 -0.03 0.00 -0.71 0.00 0.00 39.64 38.32 2dks n ILE 124 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2dks s SER 125 N -5.18 6.17 0.00 4.38 0.15 -1.26 -4.90 113.70 113.06 2dks s SER 125 Ca 0.00 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.05 2dks s SER 125 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2dks s SER 125 CO 0.00 -1.65 0.00 0.61 1.20 0.00 0.00 173.24 173.40 2dks n GLY 126 N 5.22 2.01 0.22 9.45 0.00 -1.26 -5.01 105.19 115.82 2dks n GLY 126 Ca 0.13 -0.53 0.09 0.00 0.00 0.00 0.00 46.02 45.71 2dks n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dks h PRO 127 N 0.00 0.00 -2.58 1.61 0.13 -2.04 -3.45 132.00 125.67 2dks h PRO 127 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 2dks h PRO 127 Cb 0.00 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 30.92 2dks h PRO 127 CO 0.00 0.26 -0.11 0.45 -0.23 0.00 0.00 178.00 178.36 2dks s SER 128 N -6.32 -0.45 0.29 1.44 0.15 -1.26 -5.03 113.70 102.53 2dks s SER 128 Ca -0.01 0.67 0.09 0.00 0.70 0.00 0.00 55.95 57.40 2dks s SER 128 Cb 0.11 0.71 0.88 0.00 -1.71 0.00 0.00 66.02 66.02 2dks s SER 128 CO 0.65 -0.34 1.36 -1.20 1.20 0.00 0.00 173.24 174.91 2dks n SER 129 N 1.99 0.08 0.00 5.45 7.64 -1.26 -5.10 113.62 122.41 2dks n SER 129 Ca -0.17 1.45 0.00 0.00 1.01 0.00 0.00 58.87 61.16 2dks n SER 129 Cb 0.56 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2dks n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64