#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 3.01 -0.26 1.61 0.15 -1.26 -5.13 113.70 111.82 2dks s SER 2 Ca 0.00 -0.89 -0.02 0.00 0.70 0.00 0.00 55.95 55.74 2dks s SER 2 Cb 0.00 -0.20 0.03 0.00 -1.71 0.00 0.00 66.02 64.13 2dks s SER 2 CO 0.00 0.01 -0.03 -0.55 1.20 0.00 0.00 173.24 173.87 2dks s SER 3 N -2.79 4.49 0.00 5.45 0.15 -1.26 -5.03 113.70 114.71 2dks s SER 3 Ca 0.19 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.96 2dks s SER 3 Cb -0.06 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 2dks s SER 3 CO 0.08 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2dks n GLY 4 N 4.69 0.95 3.33 9.45 0.00 -1.26 -5.14 105.19 117.21 2dks n GLY 4 Ca -0.16 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.25 0.05 0.03 1.61 1.04 -1.26 -5.16 113.70 109.76 2dks s SER 5 Ca 0.00 -0.89 -0.11 0.00 0.48 0.00 0.00 55.95 55.43 2dks s SER 5 Cb 0.00 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 2dks s SER 5 CO 0.00 -0.89 0.37 -0.94 0.98 0.00 0.00 173.24 172.76 2dks s SER 6 N -2.97 6.67 0.00 7.02 1.04 -1.26 -5.08 113.70 119.12 2dks s SER 6 Ca 0.18 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.41 2dks s SER 6 Cb 0.03 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.97 2dks s SER 6 CO 0.00 0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.09 2dks n GLY 7 N 1.34 1.37 3.60 7.32 0.00 -1.26 -4.86 105.19 112.71 2dks n GLY 7 Ca -0.11 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.37 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 0.31 -2.95 2.61 -2.24 -1.26 -4.92 114.28 105.83 2dks n THR 8 Ca 0.00 -0.13 -0.38 0.00 -2.27 0.00 0.00 64.05 61.27 2dks n THR 8 Cb 0.00 -1.45 -0.06 0.00 -2.10 0.00 0.00 70.33 66.71 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 4.98 3.37 -0.13 6.98 0.00 -1.26 -5.07 121.76 130.63 2dks s ALA 9 Ca 1.02 0.36 -0.06 0.00 0.00 0.00 0.00 51.96 53.28 2dks s ALA 9 Cb -0.95 -2.99 0.06 0.00 0.00 0.00 0.00 23.12 19.24 2dks s ALA 9 CO 0.58 0.27 0.28 1.14 0.00 0.00 0.00 175.76 178.03 2dks s GLN 10 N -1.66 0.21 -0.33 0.00 -2.07 -1.26 -5.11 119.66 109.44 2dks s GLN 10 Ca 0.42 0.66 -0.40 0.00 -1.82 0.00 0.00 55.36 54.23 2dks s GLN 10 Cb -0.20 -0.06 -0.15 0.00 -1.09 0.00 0.00 33.01 31.51 2dks s GLN 10 CO 0.24 -0.21 1.86 -0.11 -1.32 0.00 0.00 175.29 175.75 2dks n LEU 11 N 4.71 2.10 -4.27 2.60 7.94 -1.26 -4.69 117.00 124.14 2dks n LEU 11 Ca -0.17 0.91 -0.15 0.00 -1.11 0.00 0.00 56.01 55.50 2dks n LEU 11 Cb 0.52 -1.12 -0.10 0.00 0.53 0.00 0.00 43.42 43.24 2dks n LEU 11 CO 0.08 -0.54 -0.33 0.28 -1.11 0.00 0.00 177.39 175.77 2dks s THR 12 N 4.51 0.79 -0.02 1.96 -1.32 -1.13 -4.60 115.64 115.83 2dks s THR 12 Ca 1.03 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 59.53 2dks s THR 12 Cb -1.10 -2.19 0.00 0.00 -1.51 0.00 0.00 72.50 67.70 2dks s THR 12 CO 0.64 -0.43 -0.07 -0.63 -2.21 0.00 0.00 174.62 171.92 2dks s ILE 13 N -3.58 0.62 -0.28 5.08 1.01 -1.26 -1.15 121.20 121.65 2dks s ILE 13 Ca 0.25 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.63 2dks s ILE 13 Cb 0.06 -0.56 0.08 0.00 0.01 0.00 0.00 42.46 42.05 2dks s ILE 13 CO 0.05 0.20 0.01 -0.70 0.00 0.00 0.00 174.94 174.51 2dks s GLU 14 N 0.18 1.32 0.14 2.79 2.12 -0.79 -4.81 118.70 119.65 2dks s GLU 14 Ca -0.02 -1.19 -0.35 0.00 0.36 0.00 0.00 54.97 53.77 2dks s GLU 14 Cb -0.07 -2.56 -0.16 0.00 0.26 0.00 0.00 34.13 31.60 2dks s GLU 14 CO 0.00 -0.78 1.36 0.00 -0.54 0.00 0.00 175.26 175.31 2dks n ALA 15 N 4.63 -0.19 -3.65 6.30 0.00 -1.26 -3.36 120.51 122.97 2dks n ALA 15 Ca -0.06 0.48 -0.28 0.00 0.00 0.00 0.00 53.44 53.59 2dks n ALA 15 Cb 0.43 -2.15 -0.16 0.00 0.00 0.00 0.00 19.45 17.57 2dks n ALA 15 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2dks s VAL 16 N 0.38 0.24 1.07 0.00 1.01 -0.62 -2.23 120.40 120.26 2dks s VAL 16 Ca 0.79 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 2dks s VAL 16 Cb -0.84 -0.95 0.22 0.00 0.00 0.00 0.00 36.38 34.81 2dks s VAL 16 CO 0.46 -0.40 1.10 -2.16 0.00 0.00 0.00 175.10 174.10 2dks s PRO 17 N 1.97 -0.15 0.39 2.72 0.04 -1.26 0.10 135.00 138.81 2dks s PRO 17 Ca 0.03 0.31 0.21 0.00 0.04 0.00 0.00 61.00 61.60 2dks s PRO 17 Cb -0.17 -1.69 0.56 0.00 0.04 0.00 0.00 34.50 33.25 2dks s PRO 17 CO -0.17 -3.07 1.67 1.03 0.04 0.00 0.00 177.00 176.50 2dks h SER 18 N -2.13 0.00 -1.85 6.66 0.87 -1.81 -3.42 113.55 111.86 2dks h SER 18 Ca -0.52 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 59.85 2dks h SER 18 Cb 1.32 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.99 2dks h SER 18 CO 0.51 0.28 -0.52 0.20 -0.53 0.00 0.00 176.83 176.77 2dks s ASN 19 N -6.27 0.45 0.34 6.23 0.01 -1.26 -3.49 114.94 110.95 2dks s ASN 19 Ca 0.03 -0.12 0.05 0.00 -0.71 0.00 0.00 52.86 52.11 2dks s ASN 19 Cb 0.09 1.05 0.05 0.00 0.41 0.00 0.00 41.25 42.84 2dks s ASN 19 CO 0.67 -0.33 0.43 0.00 -1.51 0.00 0.00 177.10 176.36 2dks n ALA 20 N 5.35 0.69 -2.43 0.60 0.00 -1.04 -4.92 120.51 118.77 2dks n ALA 20 Ca -0.02 -1.26 -0.22 0.00 0.00 0.00 0.00 53.44 51.94 2dks n ALA 20 Cb 0.49 0.38 -0.10 0.00 0.00 0.00 0.00 19.45 20.22 2dks n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dks s ALA 21 N -2.42 2.49 0.07 0.00 0.00 -1.24 -0.43 121.76 120.22 2dks s ALA 21 Ca 0.33 -1.79 -0.37 0.00 0.00 0.00 0.00 51.96 50.13 2dks s ALA 21 Cb -0.03 -0.21 -0.18 0.00 0.00 0.00 0.00 23.12 22.71 2dks s ALA 21 CO 0.21 0.22 1.17 0.39 0.00 0.00 0.00 175.76 177.74 2dks n GLU 22 N -0.47 0.64 0.00 0.00 1.02 -1.26 0.19 120.64 120.76 2dks n GLU 22 Ca -0.07 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2dks n GLU 22 Cb 0.60 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 2.02 3.15 3.40 0.62 0.00 -0.60 -4.93 105.19 108.85 2dks n GLY 23 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 2dks n GLY 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dks n LYS 24 N -1.45 -2.28 -4.71 1.61 4.76 0.13 -3.62 118.16 112.60 2dks n LYS 24 Ca 0.00 -1.75 -0.26 0.00 -2.87 0.00 0.00 58.31 53.44 2dks n LYS 24 Cb 0.00 -1.43 -0.14 0.00 -1.84 0.00 0.00 35.03 31.62 2dks n LYS 24 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2dks s GLU 25 N -5.47 1.44 -0.17 1.97 -1.05 -1.26 -0.61 118.70 113.55 2dks s GLU 25 Ca 0.68 -0.89 0.01 0.00 -0.15 0.00 0.00 54.97 54.61 2dks s GLU 25 Cb -0.05 -1.52 0.03 0.00 -0.44 0.00 0.00 34.13 32.16 2dks s GLU 25 CO 0.50 0.39 -0.13 0.08 0.95 0.00 0.00 175.26 177.06 2dks s VAL 26 N -0.73 1.63 -0.46 1.83 1.01 -0.28 -4.46 120.40 118.94 2dks s VAL 26 Ca 0.07 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 2dks s VAL 26 Cb -0.09 -1.59 0.04 0.00 0.00 0.00 0.00 36.38 34.74 2dks s VAL 26 CO 0.01 0.34 0.49 -0.22 0.00 0.00 0.00 175.10 175.73 2dks s LEU 27 N 1.44 5.00 -0.80 3.92 2.96 0.12 -0.40 118.68 130.92 2dks s LEU 27 Ca 0.02 -0.84 -0.26 0.00 -0.22 0.00 0.00 54.13 52.84 2dks s LEU 27 Cb -0.14 -2.39 0.04 0.00 0.50 0.00 0.00 46.19 44.20 2dks s LEU 27 CO -0.10 -0.69 1.29 -0.76 -1.32 0.00 0.00 176.35 174.77 2dks s LEU 28 N 2.23 3.34 0.53 -0.68 1.43 -0.51 -1.58 118.68 123.45 2dks s LEU 28 Ca 0.12 -0.72 -0.16 0.00 -1.03 0.00 0.00 54.13 52.34 2dks s LEU 28 Cb -0.19 -2.55 -0.07 0.00 0.03 0.00 0.00 46.19 43.41 2dks s LEU 28 CO 0.12 -1.73 1.00 -0.76 0.23 0.00 0.00 176.35 175.21 2dks s LEU 29 N 5.42 3.57 -0.06 1.79 1.43 -1.21 -2.89 118.68 126.72 2dks s LEU 29 Ca 0.36 1.58 0.03 0.00 -1.03 0.00 0.00 54.13 55.08 2dks s LEU 29 Cb -0.07 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 41.65 2dks s LEU 29 CO 0.09 -0.68 -0.15 -0.69 0.23 0.00 0.00 176.35 175.15 2dks s VAL 30 N -2.67 1.34 0.37 -1.59 1.01 -1.26 -1.88 120.40 115.72 2dks s VAL 30 Ca 0.59 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 62.03 2dks s VAL 30 Cb -0.11 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2dks s VAL 30 CO 0.34 0.40 0.19 -1.00 0.00 0.00 0.00 175.10 175.03 2dks s HIS 31 N 0.45 2.69 -1.67 5.22 0.09 -0.30 -4.58 115.29 117.19 2dks s HIS 31 Ca -0.12 -0.44 0.00 0.00 -0.00 0.00 0.00 55.06 54.49 2dks s HIS 31 Cb -0.15 -1.80 0.00 0.00 -0.00 0.00 0.00 32.58 30.64 2dks s HIS 31 CO 0.04 0.23 0.00 0.09 -0.00 0.00 0.00 174.74 175.10 2dks n ASN 32 N -1.23 -4.91 -4.28 1.40 3.02 -1.26 -2.83 115.26 105.16 2dks n ASN 32 Ca -0.02 0.23 -0.34 0.00 -0.03 0.00 0.00 54.58 54.42 2dks n ASN 32 Cb 0.62 -4.25 0.09 0.00 -0.61 0.00 0.00 39.78 35.63 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 -2.58 -2.06 -4.58 3.41 4.77 -1.26 -4.32 117.00 110.38 2dks n LEU 33 Ca -0.19 0.32 -0.30 0.00 -0.03 0.00 0.00 56.01 55.80 2dks n LEU 33 Cb 0.62 -1.05 0.25 0.00 -2.33 0.00 0.00 43.42 40.91 2dks n LEU 33 CO 0.25 -4.38 0.62 -2.16 -1.33 0.00 0.00 177.39 170.39 2dks s PRO 34 N -2.93 -1.58 -0.10 3.23 0.04 -1.26 -5.01 135.00 127.39 2dks s PRO 34 Ca 0.52 -0.19 -0.17 0.00 0.04 0.00 0.00 61.00 61.20 2dks s PRO 34 Cb -0.23 -1.57 -0.14 0.00 0.04 0.00 0.00 34.50 32.60 2dks s PRO 34 CO 0.71 -3.92 0.55 -0.56 0.04 0.00 0.00 177.00 173.82 2dks h GLN 35 N -2.73 -0.06 -2.84 4.56 3.07 -1.99 -3.42 115.11 111.70 2dks h GLN 35 Ca -0.43 0.00 -0.61 0.00 0.09 0.00 0.00 58.65 57.71 2dks h GLN 35 Cb 1.28 0.01 -0.40 0.00 0.08 0.00 0.00 27.48 28.46 2dks h GLN 35 CO 0.29 0.44 -0.76 0.16 0.09 0.00 0.00 178.83 179.04 2dks s ASP 36 N -5.78 3.35 -1.12 0.06 1.47 -1.26 -5.05 116.67 108.34 2dks s ASP 36 Ca -0.11 -3.05 -0.23 0.00 1.18 0.00 0.00 52.55 50.35 2dks s ASP 36 Cb -0.01 -1.01 -0.08 0.00 -0.34 0.00 0.00 42.92 41.48 2dks s ASP 36 CO 0.40 -0.20 1.94 -2.16 0.68 0.00 0.00 175.17 175.83 2dks s PRO 37 N -0.17 2.50 0.42 2.11 0.04 -1.26 -2.15 135.00 136.49 2dks s PRO 37 Ca 0.23 -0.96 0.36 0.00 0.04 0.00 0.00 61.00 60.68 2dks s PRO 37 Cb -0.12 -5.20 1.33 0.00 0.04 0.00 0.00 34.50 30.55 2dks s PRO 37 CO -0.09 -3.85 1.26 -2.13 0.04 0.00 0.00 177.00 172.22 2dks n ARG 38 N 8.42 -0.01 0.00 4.56 0.63 0.64 -4.56 116.66 126.33 2dks n ARG 38 Ca 0.44 0.92 0.00 0.00 -0.92 0.00 0.00 57.85 58.29 2dks n ARG 38 Cb 0.47 -2.01 0.00 0.00 0.45 0.00 0.00 32.46 31.37 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 -1.63 0.80 3.75 5.14 0.00 -1.13 -1.87 105.19 110.25 2dks n GLY 39 Ca 0.35 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 3.16 -0.16 1.61 2.02 0.66 -1.19 117.35 121.45 2dks s TYR 40 Ca 0.00 0.07 -0.05 0.00 -0.37 0.00 0.00 57.07 56.72 2dks s TYR 40 Cb 0.00 -1.62 0.08 0.00 -0.40 0.00 0.00 41.96 40.02 2dks s TYR 40 CO 0.00 0.51 0.30 -0.80 -1.57 0.00 0.00 175.55 173.99 2dks s ASN 41 N -2.27 0.32 0.23 2.29 0.01 -0.07 -0.40 114.94 115.05 2dks s ASN 41 Ca 0.27 0.57 0.05 0.00 -0.71 0.00 0.00 52.86 53.04 2dks s ASN 41 Cb -0.12 0.83 -0.03 0.00 0.41 0.00 0.00 41.25 42.34 2dks s ASN 41 CO 0.20 -0.25 0.35 0.26 -1.51 0.00 0.00 177.10 176.15 2dks s TRP 42 N 2.46 3.46 0.21 2.20 0.52 -0.77 -0.09 118.94 126.92 2dks s TRP 42 Ca 0.02 0.00 -0.13 0.00 0.02 0.00 0.00 56.10 56.01 2dks s TRP 42 Cb -0.13 -1.59 0.00 0.00 -1.15 0.00 0.00 33.47 30.61 2dks s TRP 42 CO -0.10 0.45 0.44 0.71 0.02 0.00 0.00 176.95 178.46 2dks s TYR 43 N -1.95 0.25 -0.22 -1.98 1.51 0.16 -2.72 117.35 112.40 2dks s TYR 43 Ca 0.34 -0.61 -0.06 0.00 -1.01 0.00 0.00 57.07 55.73 2dks s TYR 43 Cb -0.09 0.18 -0.03 0.00 -0.11 0.00 0.00 41.96 41.91 2dks s TYR 43 CO 0.29 -0.90 0.04 0.21 -1.11 0.00 0.00 175.55 174.08 2dks s LYS 44 N -3.97 3.67 0.00 -0.62 2.20 -1.06 -1.64 119.74 118.32 2dks s LYS 44 Ca 0.18 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 2dks s LYS 44 Cb 0.00 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 2dks s LYS 44 CO 0.04 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 2dks n GLY 45 N 4.48 0.61 0.82 5.54 0.00 -0.67 -4.81 105.19 111.15 2dks n GLY 45 Ca -0.17 -1.94 0.02 0.00 0.00 0.00 0.00 46.02 43.93 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 1.74 -3.67 1.61 1.02 -1.26 -2.44 120.64 117.64 2dks n GLU 46 Ca 0.00 -3.34 0.00 0.00 -0.02 0.00 0.00 57.16 53.80 2dks n GLU 46 Cb 0.00 -1.61 -0.01 0.00 -0.02 0.00 0.00 31.44 29.80 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 -3.23 0.00 -0.46 2.62 -1.32 -1.26 -5.02 115.64 106.96 2dks s THR 47 Ca 0.39 -0.33 -0.27 0.00 -1.21 0.00 0.00 61.69 60.27 2dks s THR 47 Cb 0.38 -2.04 -0.03 0.00 -1.51 0.00 0.00 72.50 69.29 2dks s THR 47 CO -0.06 0.00 1.99 -0.69 -2.21 0.00 0.00 174.62 173.64 2dks s VAL 48 N -2.62 3.29 -0.35 5.08 1.01 -1.26 -4.75 120.40 120.81 2dks s VAL 48 Ca 0.14 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.39 2dks s VAL 48 Cb 0.03 -3.57 0.10 0.00 0.00 0.00 0.00 36.38 32.94 2dks s VAL 48 CO -0.02 -0.49 0.07 -1.81 0.00 0.00 0.00 175.10 172.85 2dks s ASP 49 N 8.33 4.70 0.50 3.32 1.11 -1.26 -4.96 116.67 128.42 2dks s ASP 49 Ca 0.80 -2.19 0.21 0.00 0.18 0.00 0.00 52.55 51.55 2dks s ASP 49 Cb -0.18 -1.59 1.31 0.00 1.07 0.00 0.00 42.92 43.52 2dks s ASP 49 CO 0.27 -0.37 2.08 0.00 1.18 0.00 0.00 175.17 178.33 2dks h ALA 50 N 7.56 1.58 0.00 5.23 0.00 -1.98 -1.21 119.26 130.44 2dks h ALA 50 Ca -0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2dks h ALA 50 Cb 1.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2dks h ALA 50 CO 0.53 0.14 -0.22 -0.91 0.00 0.00 0.00 179.25 178.79 2dks h ASN 51 N 0.00 0.00 -0.33 0.00 2.35 -1.99 -2.92 115.58 112.68 2dks h ASN 51 Ca -0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 2dks h ASN 51 Cb 0.23 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.55 2dks h ASN 51 CO 0.01 0.22 0.01 0.54 -1.65 0.00 0.00 177.43 176.56 2dks n ARG 52 N -3.35 2.58 -1.57 0.81 5.12 -0.50 -4.58 116.66 115.16 2dks n ARG 52 Ca 0.00 -2.97 -0.41 0.00 -1.93 0.00 0.00 57.85 52.55 2dks n ARG 52 Cb 0.45 -1.86 -0.03 0.00 -1.16 0.00 0.00 32.46 29.85 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 -0.72 1.59 0.03 5.56 0.63 -0.95 -2.58 116.66 120.22 2dks n ARG 53 Ca 0.27 0.33 -0.13 0.00 -0.92 0.00 0.00 57.85 57.41 2dks n ARG 53 Cb 0.99 -3.26 -0.09 0.00 0.45 0.00 0.00 32.46 30.55 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 7.35 1.16 -1.44 5.15 2.04 -1.73 -3.06 117.51 126.99 2dks h ILE 54 Ca -0.34 -0.67 0.11 0.00 1.00 0.00 0.00 64.86 64.95 2dks h ILE 54 Cb 1.25 1.60 -0.27 0.00 -0.74 0.00 0.00 36.82 38.67 2dks h ILE 54 CO 1.03 0.17 0.60 -0.51 0.00 0.00 0.00 178.15 179.44 2dks s ILE 55 N -4.99 0.00 -0.05 -0.67 2.07 -1.25 -3.10 121.20 113.21 2dks s ILE 55 Ca -0.15 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.12 2dks s ILE 55 Cb 0.03 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.63 2dks s ILE 55 CO 0.65 0.00 -0.13 -0.83 -1.91 0.00 0.00 174.94 172.72 2dks s GLY 56 N -0.21 0.76 0.03 1.50 0.00 -1.14 -1.85 107.32 106.41 2dks s GLY 56 Ca 0.03 -0.48 0.07 0.00 0.00 0.00 0.00 44.72 44.34 2dks s GLY 56 CO -0.07 -0.10 -0.21 -0.47 0.00 0.00 0.00 173.10 172.26 2dks s TYR 57 N 0.32 1.83 -0.24 1.90 5.04 0.46 -1.36 117.35 125.30 2dks s TYR 57 Ca -0.08 -0.37 0.02 0.00 -2.44 0.00 0.00 57.07 54.21 2dks s TYR 57 Cb -0.12 -1.11 0.05 0.00 0.35 0.00 0.00 41.96 41.12 2dks s TYR 57 CO 0.02 0.06 -0.13 0.08 -1.34 0.00 0.00 175.55 174.24 2dks s VAL 58 N -0.72 2.12 0.30 3.14 1.01 0.53 -0.24 120.40 126.53 2dks s VAL 58 Ca 0.08 -1.42 0.03 0.00 0.00 0.00 0.00 61.98 60.67 2dks s VAL 58 Cb -0.09 -2.14 0.10 0.00 0.00 0.00 0.00 36.38 34.25 2dks s VAL 58 CO 0.01 0.14 1.77 0.40 0.00 0.00 0.00 175.10 177.42 2dks h ILE 59 N 6.52 1.24 -0.20 2.22 2.04 -1.62 1.63 117.51 129.36 2dks h ILE 59 Ca -0.27 -1.11 0.06 0.00 1.00 0.00 0.00 64.86 64.54 2dks h ILE 59 Cb 1.07 1.22 -0.07 0.00 -0.74 0.00 0.00 36.82 38.31 2dks h ILE 59 CO 0.51 0.36 -0.28 0.77 0.00 0.00 0.00 178.15 179.51 2dks h SER 60 N 0.44 -0.89 -0.20 1.72 4.64 -1.83 -2.83 113.55 114.60 2dks h SER 60 Ca 0.08 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2dks h SER 60 Cb 0.56 0.40 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2dks h SER 60 CO 0.04 -0.32 0.00 -0.46 -0.87 0.00 0.00 176.83 175.22 2dks n ASN 61 N -5.39 3.15 -4.33 4.97 0.23 -1.18 -4.98 115.26 107.72 2dks n ASN 61 Ca -0.02 -2.70 -0.31 0.00 -0.53 0.00 0.00 54.58 51.01 2dks n ASN 61 Cb 0.31 -0.39 -0.10 0.00 -2.08 0.00 0.00 39.78 37.52 2dks n ASN 61 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2dks n GLN 62 N -0.48 -0.93 -4.07 -3.83 6.02 0.55 -4.92 117.38 109.72 2dks n GLN 62 Ca 0.16 0.09 -0.32 0.00 -0.01 0.00 0.00 57.00 56.92 2dks n GLN 62 Cb 0.67 -3.62 -0.07 0.00 1.02 0.00 0.00 30.24 28.24 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 -7.39 2.99 -0.13 -1.09 2.00 -0.44 -4.88 119.66 110.72 2dks s GLN 63 Ca 0.03 -0.59 -0.01 0.00 -2.00 0.00 0.00 55.36 52.79 2dks s GLN 63 Cb -0.02 -2.80 0.03 0.00 0.80 0.00 0.00 33.01 31.03 2dks s GLN 63 CO 1.00 0.60 -0.06 0.42 -0.50 0.00 0.00 175.29 176.75 2dks s ILE 64 N -1.31 1.02 -0.32 -2.34 1.01 -1.26 -0.35 121.20 117.66 2dks s ILE 64 Ca 0.27 -0.39 -0.00 0.00 0.00 0.00 0.00 60.65 60.52 2dks s ILE 64 Cb -0.12 -1.11 0.10 0.00 0.01 0.00 0.00 42.46 41.34 2dks s ILE 64 CO 0.19 0.27 0.09 -0.89 0.00 0.00 0.00 174.94 174.60 2dks s THR 65 N 1.69 1.10 0.71 2.92 2.01 -0.47 -5.02 115.64 118.59 2dks s THR 65 Ca 0.03 -1.56 -0.13 0.00 0.31 0.00 0.00 61.69 60.35 2dks s THR 65 Cb -0.14 -1.83 0.02 0.00 0.01 0.00 0.00 72.50 70.57 2dks s THR 65 CO -0.08 -0.67 1.10 -2.16 -0.69 0.00 0.00 174.62 172.13 2dks s PRO 66 N 1.50 2.57 0.00 4.92 0.04 -1.26 -2.89 135.00 139.88 2dks s PRO 66 Ca 0.10 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.44 2dks s PRO 66 Cb -0.18 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2dks s PRO 66 CO -0.22 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 175.81 2dks n GLY 67 N -0.81 4.09 0.19 0.56 0.00 -1.16 -4.92 105.19 103.13 2dks n GLY 67 Ca 0.10 -2.08 0.04 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.98 1.61 0.13 -1.83 -2.94 132.00 127.99 2dks h PRO 68 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 2dks h PRO 68 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 2dks h PRO 68 CO 0.00 0.39 0.15 0.00 -0.23 0.00 0.00 178.00 178.31 2dks n ALA 69 N -2.37 3.25 -2.71 -0.56 0.00 -1.20 -4.85 120.51 112.07 2dks n ALA 69 Ca -0.01 -0.72 -0.34 0.00 0.00 0.00 0.00 53.44 52.36 2dks n ALA 69 Cb 0.46 -1.11 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.95 3.09 0.00 0.00 5.04 -1.11 -4.44 117.35 118.98 2dks s TYR 70 Ca 0.15 0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.85 2dks s TYR 70 Cb 0.12 -1.81 0.00 0.00 0.35 0.00 0.00 41.96 40.63 2dks s TYR 70 CO 0.03 0.35 0.76 0.43 -1.34 0.00 0.00 175.55 175.78 2dks n SER 71 N 2.44 1.12 -2.16 4.32 7.64 -1.26 -5.00 113.62 120.72 2dks n SER 71 Ca -0.18 -1.55 -0.14 0.00 1.01 0.00 0.00 58.87 58.01 2dks n SER 71 Cb 0.53 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.77 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 -0.27 -4.49 0.00 6.43 2.85 -1.26 -4.90 115.26 113.61 2dks n ASN 72 Ca 0.00 -0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.21 2dks n ASN 72 Cb 0.35 -3.19 0.00 0.00 1.24 0.00 0.00 39.78 38.17 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 -3.00 2.76 -3.29 1.20 1.74 -1.26 -5.06 116.66 109.75 2dks n ARG 73 Ca -0.02 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.72 2dks n ARG 73 Cb 0.55 -0.85 -0.06 0.00 -1.02 0.00 0.00 32.46 31.08 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 -1.69 3.94 -0.03 5.56 8.01 -1.26 -2.93 118.70 130.30 2dks s GLU 74 Ca 0.00 0.49 -0.00 0.00 0.01 0.00 0.00 54.97 55.47 2dks s GLU 74 Cb 0.00 -2.68 0.03 0.00 -4.31 0.00 0.00 34.13 27.17 2dks s GLU 74 CO 0.00 0.32 0.02 0.99 0.01 0.00 0.00 175.26 176.60 2dks s THR 75 N -1.75 0.04 0.85 3.63 2.01 -0.93 -4.94 115.64 114.55 2dks s THR 75 Ca 0.47 0.20 -0.12 0.00 0.31 0.00 0.00 61.69 62.55 2dks s THR 75 Cb -0.12 -0.19 0.10 0.00 0.01 0.00 0.00 72.50 72.30 2dks s THR 75 CO 0.20 0.13 1.11 -0.63 -0.69 0.00 0.00 174.62 174.74 2dks s ILE 76 N 1.30 2.64 0.14 1.82 1.09 -1.26 -0.31 121.20 126.62 2dks s ILE 76 Ca -0.06 0.21 0.03 0.00 -1.10 0.00 0.00 60.65 59.73 2dks s ILE 76 Cb -0.13 -2.92 -0.04 0.00 -1.06 0.00 0.00 42.46 38.30 2dks s ILE 76 CO -0.03 -0.27 -0.07 -0.31 -0.10 0.00 0.00 174.94 174.17 2dks s TYR 77 N -3.17 1.17 -2.00 3.97 1.51 0.21 -4.84 117.35 114.20 2dks s TYR 77 Ca 0.62 -0.86 0.11 0.00 -1.01 0.00 0.00 57.07 55.93 2dks s TYR 77 Cb -0.15 -0.63 0.67 0.00 -0.11 0.00 0.00 41.96 41.73 2dks s TYR 77 CO 0.54 -0.04 1.10 -0.35 -1.11 0.00 0.00 175.55 175.69 2dks n PRO 78 N -0.17 0.49 -0.06 -1.71 -0.04 -1.26 -1.86 135.00 130.38 2dks n PRO 78 Ca -0.10 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.41 2dks n PRO 78 Cb 0.61 -1.36 0.06 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.86 1.93 -0.55 3.54 3.02 -1.26 -4.97 115.26 116.11 2dks n ASN 79 Ca 0.08 -2.43 -0.05 0.00 -0.03 0.00 0.00 54.58 52.16 2dks n ASN 79 Cb 0.04 -0.20 -0.01 0.00 -0.61 0.00 0.00 39.78 39.00 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 -2.70 5.41 0.00 -0.78 -4.49 120.51 116.96 2dks n ALA 80 Ca 0.07 0.05 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 2dks n ALA 80 Cb 0.46 -0.92 -0.09 0.00 0.00 0.00 0.00 19.45 18.91 2dks n ALA 80 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dks s SER 81 N -2.80 5.20 -0.15 0.00 0.01 -1.25 -4.64 113.70 110.06 2dks s SER 81 Ca 0.00 0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.29 2dks s SER 81 Cb 0.00 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.85 2dks s SER 81 CO 0.00 0.28 -0.18 -0.22 0.41 0.00 0.00 173.24 173.53 2dks s LEU 82 N -1.55 2.30 -0.46 2.44 2.96 -1.14 0.67 118.68 123.92 2dks s LEU 82 Ca 0.20 -0.54 -0.19 0.00 -0.22 0.00 0.00 54.13 53.38 2dks s LEU 82 Cb -0.12 -1.51 0.04 0.00 0.50 0.00 0.00 46.19 45.10 2dks s LEU 82 CO 0.10 0.07 0.54 -0.22 -1.32 0.00 0.00 176.35 175.53 2dks s LEU 83 N 0.87 4.85 -0.78 -0.68 2.96 0.58 -1.42 118.68 125.07 2dks s LEU 83 Ca -0.05 -0.71 -0.21 0.00 -0.22 0.00 0.00 54.13 52.95 2dks s LEU 83 Cb -0.15 -2.48 0.10 0.00 0.50 0.00 0.00 46.19 44.16 2dks s LEU 83 CO -0.02 -0.73 1.03 -0.32 -1.32 0.00 0.00 176.35 174.99 2dks s MET 84 N 2.43 3.32 0.66 1.98 -2.45 0.46 -2.19 119.30 123.51 2dks s MET 84 Ca 0.15 -1.26 -0.10 0.00 -1.25 0.00 0.00 55.69 53.23 2dks s MET 84 Cb -0.17 -4.55 -0.00 0.00 1.25 0.00 0.00 34.83 31.36 2dks s MET 84 CO 0.14 -1.79 1.04 1.03 1.05 0.00 0.00 175.02 176.49 2dks s ARG 85 N 3.44 3.06 -1.48 4.11 0.52 -1.15 -1.12 118.95 126.33 2dks s ARG 85 Ca 0.26 0.45 -0.06 0.00 -0.52 0.00 0.00 55.73 55.87 2dks s ARG 85 Cb -0.12 -2.08 0.01 0.00 0.52 0.00 0.00 34.95 33.28 2dks s ARG 85 CO 0.01 -0.85 0.16 0.09 0.02 0.00 0.00 175.30 174.73 2dks n ASN 86 N -2.86 -0.05 -3.53 0.23 4.13 -0.97 -4.85 115.26 107.36 2dks n ASN 86 Ca 0.06 -1.25 -0.30 0.00 1.68 0.00 0.00 54.58 54.76 2dks n ASN 86 Cb 0.56 -1.77 0.29 0.00 -1.54 0.00 0.00 39.78 37.32 2dks n ASN 86 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2dks s VAL 87 N -4.20 1.27 -0.15 2.41 -7.23 0.22 -4.57 120.40 108.15 2dks s VAL 87 Ca 0.09 0.00 -0.22 0.00 -1.81 0.00 0.00 61.98 60.03 2dks s VAL 87 Cb -0.05 -2.08 0.06 0.00 0.56 0.00 0.00 36.38 34.87 2dks s VAL 87 CO 0.98 0.00 0.57 0.42 -0.31 0.00 0.00 175.10 176.76 2dks s THR 88 N -2.30 0.01 0.61 5.32 -4.23 -1.26 -1.55 115.64 112.24 2dks s THR 88 Ca 0.69 -0.07 0.27 0.00 -1.18 0.00 0.00 61.69 61.40 2dks s THR 88 Cb -0.14 -0.83 0.38 0.00 1.34 0.00 0.00 72.50 73.25 2dks s THR 88 CO 0.58 -0.04 1.45 0.08 -0.54 0.00 0.00 174.62 176.16 2dks h ARG 89 N 4.50 0.00 -0.02 3.99 0.11 -1.95 0.80 114.38 121.82 2dks h ARG 89 Ca -0.28 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.69 2dks h ARG 89 Cb 1.16 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.25 2dks h ARG 89 CO 0.24 0.00 -0.41 -0.97 0.10 0.00 0.00 179.97 178.92 2dks h ASN 90 N 0.00 0.39 -0.96 0.08 -0.73 -1.95 -3.27 115.58 109.14 2dks h ASN 90 Ca 0.40 -0.74 0.36 0.00 1.87 0.00 0.00 56.30 58.19 2dks h ASN 90 Cb 2.44 -0.12 -0.17 0.00 0.27 0.00 0.00 38.32 40.74 2dks h ASN 90 CO -0.00 1.08 0.37 0.47 -0.37 0.00 0.00 177.43 178.98 2dks n ASP 91 N -4.37 0.20 -4.62 1.15 8.00 0.28 -4.48 116.55 112.71 2dks n ASP 91 Ca -0.10 1.61 -0.65 0.00 0.71 0.00 0.00 54.79 56.36 2dks n ASP 91 Cb 0.57 -0.72 -0.10 0.00 -0.02 0.00 0.00 41.12 40.85 2dks n ASP 91 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2dks n THR 92 N -5.25 0.03 0.00 -3.53 -1.04 -1.23 -4.54 114.28 98.71 2dks n THR 92 Ca 0.32 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 2dks n THR 92 Cb 1.09 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 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 4.90 -1.35 3.42 3.41 0.00 -1.25 -5.03 105.19 109.29 2dks n GLY 93 Ca 0.37 0.73 -0.16 0.00 0.00 0.00 0.00 46.02 46.96 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 2.00 -0.50 -0.16 1.61 0.01 -1.26 -4.50 113.70 110.91 2dks s SER 94 Ca 0.00 0.54 -0.05 0.00 1.31 0.00 0.00 55.95 57.75 2dks s SER 94 Cb 0.00 0.52 0.08 0.00 0.21 0.00 0.00 66.02 66.82 2dks s SER 94 CO 0.00 -0.52 0.32 -0.31 0.41 0.00 0.00 173.24 173.14 2dks s TYR 95 N -1.10 -0.56 -0.07 2.43 1.51 -1.02 -1.68 117.35 116.86 2dks s TYR 95 Ca -0.11 1.16 -0.16 0.00 -1.01 0.00 0.00 57.07 56.95 2dks s TYR 95 Cb -0.02 0.08 -0.05 0.00 -0.11 0.00 0.00 41.96 41.86 2dks s TYR 95 CO 0.07 -0.41 0.42 0.99 -1.11 0.00 0.00 175.55 175.52 2dks s THR 96 N 2.49 5.13 -0.25 -0.71 2.01 -0.65 -1.91 115.64 121.74 2dks s THR 96 Ca 0.00 0.85 0.02 0.00 0.31 0.00 0.00 61.69 62.87 2dks s THR 96 Cb -0.12 -3.75 0.06 0.00 0.01 0.00 0.00 72.50 68.71 2dks s THR 96 CO -0.10 0.45 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.98 2dks s LEU 97 N -0.16 3.15 -0.13 4.42 1.98 -0.79 0.38 118.68 127.53 2dks s LEU 97 Ca 0.24 -1.34 -0.07 0.00 -2.89 0.00 0.00 54.13 50.06 2dks s LEU 97 Cb -0.16 -1.41 -0.04 0.00 0.66 0.00 0.00 46.19 45.25 2dks s LEU 97 CO 0.11 -0.22 0.13 -1.58 -1.89 0.00 0.00 176.35 172.91 2dks s GLN 98 N 1.21 3.56 -0.16 1.98 0.74 0.87 -2.64 119.66 125.22 2dks s GLN 98 Ca -0.07 -0.15 0.01 0.00 0.05 0.00 0.00 55.36 55.20 2dks s GLN 98 Cb -0.20 -3.22 0.02 0.00 1.10 0.00 0.00 33.01 30.71 2dks s GLN 98 CO -0.06 0.69 -0.19 0.08 -0.55 0.00 0.00 175.29 175.27 2dks s VAL 99 N -0.78 1.93 0.17 1.34 1.01 -1.21 -0.89 120.40 121.97 2dks s VAL 99 Ca 0.14 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 2dks s VAL 99 Cb -0.12 -1.75 -0.07 0.00 0.00 0.00 0.00 36.38 34.44 2dks s VAL 99 CO 0.03 0.52 0.63 -0.63 0.00 0.00 0.00 175.10 175.65 2dks s ILE 100 N 1.22 4.71 0.06 2.22 1.09 -0.33 0.40 121.20 130.56 2dks s ILE 100 Ca 0.02 1.08 0.06 0.00 -1.10 0.00 0.00 60.65 60.71 2dks s ILE 100 Cb -0.14 -3.82 -0.04 0.00 -1.06 0.00 0.00 42.46 37.41 2dks s ILE 100 CO -0.10 0.28 -0.12 -0.54 -0.10 0.00 0.00 174.94 174.37 2dks s LYS 101 N -1.83 2.22 0.66 2.79 3.01 -0.66 0.23 119.74 126.16 2dks s LYS 101 Ca 0.39 -0.94 0.16 0.00 -1.01 0.00 0.00 55.97 54.57 2dks s LYS 101 Cb -0.16 -2.32 0.86 0.00 -1.01 0.00 0.00 37.83 35.20 2dks s LYS 101 CO 0.20 0.54 1.48 -0.07 0.51 0.00 0.00 175.35 178.01 2dks h LEU 102 N 4.12 0.00 -2.65 3.17 -0.00 -1.77 0.17 115.31 118.35 2dks h LEU 102 Ca -0.48 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.28 2dks h LEU 102 Cb 1.16 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.76 2dks h LEU 102 CO 0.51 0.00 0.14 -0.46 -0.00 0.00 0.00 178.44 178.63 2dks n ASN 103 N -2.74 4.00 -3.98 -0.43 6.94 -1.26 -4.79 115.26 112.98 2dks n ASN 103 Ca -0.00 -2.43 -0.32 0.00 -0.02 0.00 0.00 54.58 51.80 2dks n ASN 103 Cb 0.70 -0.74 -0.02 0.00 -2.36 0.00 0.00 39.78 37.37 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 0.44 -1.59 -4.84 -4.53 4.77 0.58 -4.93 117.00 106.90 2dks n LEU 104 Ca 0.12 -0.83 -0.30 0.00 -0.03 0.00 0.00 56.01 54.97 2dks n LEU 104 Cb 0.67 -2.05 -0.04 0.00 -2.33 0.00 0.00 43.42 39.67 2dks n LEU 104 CO 0.13 0.25 -0.11 -0.04 -1.33 0.00 0.00 177.39 176.29 2dks s MET 105 N -6.67 2.23 -0.21 3.23 -1.94 -1.04 -4.95 119.30 109.96 2dks s MET 105 Ca 0.65 -2.27 -0.17 0.00 -1.71 0.00 0.00 55.69 52.20 2dks s MET 105 Cb -0.35 -1.78 0.06 0.00 2.01 0.00 0.00 34.83 34.76 2dks s MET 105 CO 0.80 -0.53 0.54 -1.12 -0.01 0.00 0.00 175.02 174.70 2dks s SER 106 N -4.09 -0.60 0.58 3.03 0.01 -1.26 -1.65 113.70 109.72 2dks s SER 106 Ca 0.16 1.11 0.08 0.00 1.31 0.00 0.00 55.95 58.61 2dks s SER 106 Cb -0.01 1.08 0.08 0.00 0.21 0.00 0.00 66.02 67.39 2dks s SER 106 CO 0.10 -0.19 0.69 -1.61 0.41 0.00 0.00 173.24 172.64 2dks s GLU 107 N 0.62 2.24 -0.15 12.44 0.41 0.16 -4.90 118.70 129.53 2dks s GLU 107 Ca -0.03 -1.81 -0.13 0.00 -0.41 0.00 0.00 54.97 52.59 2dks s GLU 107 Cb -0.05 -2.46 0.04 0.00 -1.78 0.00 0.00 34.13 29.89 2dks s GLU 107 CO -0.04 -0.86 0.39 -1.21 -0.49 0.00 0.00 175.26 173.06 2dks s GLU 108 N -4.58 0.44 -0.25 1.61 8.01 -1.26 -3.31 118.70 119.36 2dks s GLU 108 Ca 0.53 0.58 -0.06 0.00 0.01 0.00 0.00 54.97 56.03 2dks s GLU 108 Cb -0.04 0.18 0.12 0.00 -4.31 0.00 0.00 34.13 30.08 2dks s GLU 108 CO 0.34 -0.07 0.50 0.54 0.01 0.00 0.00 175.26 176.58 2dks s VAL 109 N 0.40 -0.79 -0.70 2.63 0.11 -1.08 -4.71 120.40 116.27 2dks s VAL 109 Ca -0.02 0.06 -0.24 0.00 -2.93 0.00 0.00 61.98 58.86 2dks s VAL 109 Cb -0.04 -0.83 0.06 0.00 -1.53 0.00 0.00 36.38 34.04 2dks s VAL 109 CO -0.02 0.01 1.07 -0.89 -3.33 0.00 0.00 175.10 171.94 2dks s THR 110 N 2.72 4.15 -0.34 5.04 2.01 -1.26 -1.89 115.64 126.07 2dks s THR 110 Ca 0.03 -0.19 -0.03 0.00 0.31 0.00 0.00 61.69 61.82 2dks s THR 110 Cb -0.13 -4.76 0.07 0.00 0.01 0.00 0.00 72.50 67.69 2dks s THR 110 CO -0.16 -1.58 0.08 -0.83 -0.69 0.00 0.00 174.62 171.43 2dks s GLY 111 N 3.72 1.84 0.28 4.40 0.00 -0.80 -4.70 107.32 112.05 2dks s GLY 111 Ca 0.27 -2.01 0.02 0.00 0.00 0.00 0.00 44.72 43.00 2dks s GLY 111 CO 0.11 0.81 0.21 -1.06 0.00 0.00 0.00 173.10 173.16 2dks n GLN 112 N 4.63 1.08 -2.79 2.90 3.00 -1.26 -3.62 117.38 121.32 2dks n GLN 112 Ca -0.09 -1.74 -0.03 0.00 -0.01 0.00 0.00 57.00 55.12 2dks n GLN 112 Cb 0.43 0.19 0.01 0.00 0.00 0.00 0.00 30.24 30.87 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 -1.15 -1.32 -4.10 1.08 -1.74 -1.26 -4.37 117.46 104.60 2dks n PHE 113 Ca -0.01 -0.88 -0.14 0.00 -0.56 0.00 0.00 57.45 55.85 2dks n PHE 113 Cb 0.32 0.43 -0.12 0.00 1.52 0.00 0.00 39.48 41.63 2dks n PHE 113 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 2dks s SER 114 N -2.37 1.03 -0.06 5.98 0.01 -1.23 -3.96 113.70 113.10 2dks s SER 114 Ca 0.12 -0.53 -0.01 0.00 1.31 0.00 0.00 55.95 56.84 2dks s SER 114 Cb -0.02 0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.24 2dks s SER 114 CO 0.05 -0.15 0.00 -0.69 0.41 0.00 0.00 173.24 172.86 2dks s VAL 115 N -1.26 0.32 -0.03 3.43 1.01 -1.26 -2.48 120.40 120.13 2dks s VAL 115 Ca -0.07 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.04 2dks s VAL 115 Cb -0.09 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.84 2dks s VAL 115 CO 0.01 0.24 -0.01 -1.38 0.00 0.00 0.00 175.10 173.95 2dks s HIS 116 N 1.79 0.37 -0.33 5.22 -3.43 0.43 -4.25 115.29 115.09 2dks s HIS 116 Ca 0.02 -0.04 -0.29 0.00 -0.80 0.00 0.00 55.06 53.96 2dks s HIS 116 Cb -0.13 -0.41 -0.01 0.00 -1.43 0.00 0.00 32.58 30.60 2dks s HIS 116 CO -0.04 -0.12 1.68 -1.25 -2.00 0.00 0.00 174.74 173.02 2dks s PRO 117 N 0.83 3.46 -0.50 -0.38 0.04 -1.26 -3.74 135.00 133.44 2dks s PRO 117 Ca -0.09 1.35 -0.27 0.00 0.04 0.00 0.00 61.00 62.04 2dks s PRO 117 Cb -0.12 -4.14 -0.08 0.00 0.04 0.00 0.00 34.50 30.21 2dks s PRO 117 CO -0.01 -1.71 2.42 0.39 0.04 0.00 0.00 177.00 178.13 2dks n GLU 118 N 8.25 1.03 -4.69 4.56 1.02 -1.26 -4.92 120.64 124.63 2dks n GLU 118 Ca 0.21 0.03 -0.24 0.00 -0.02 0.00 0.00 57.16 57.14 2dks n GLU 118 Cb 0.47 -3.29 -0.16 0.00 -0.02 0.00 0.00 31.44 28.44 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 11.72 1.21 0.24 2.62 -4.23 -1.26 -5.12 115.64 120.82 2dks s THR 119 Ca 1.01 -0.60 -0.30 0.00 -1.18 0.00 0.00 61.69 60.63 2dks s THR 119 Cb -0.27 -1.05 -0.09 0.00 1.34 0.00 0.00 72.50 72.43 2dks s THR 119 CO 0.29 0.36 1.27 -2.16 -0.54 0.00 0.00 174.62 173.83 2dks s PRO 120 N 0.07 4.42 -0.20 3.99 0.04 -1.26 -5.03 135.00 137.03 2dks s PRO 120 Ca -0.03 2.05 -0.07 0.00 0.04 0.00 0.00 61.00 62.98 2dks s PRO 120 Cb -0.10 -3.17 0.09 0.00 0.04 0.00 0.00 34.50 31.36 2dks s PRO 120 CO 0.01 -0.16 0.44 0.21 0.04 0.00 0.00 177.00 177.54 2dks s LYS 121 N -0.73 0.35 0.35 4.56 2.20 -1.26 -5.03 119.74 120.18 2dks s LYS 121 Ca 0.53 1.04 0.14 0.00 -0.36 0.00 0.00 55.97 57.32 2dks s LYS 121 Cb -0.36 0.33 0.64 0.00 -1.51 0.00 0.00 37.83 36.93 2dks s LYS 121 CO 0.42 -0.24 1.76 -1.00 -0.36 0.00 0.00 175.35 175.93 2dks h PRO 122 N 8.04 0.00 0.00 4.03 0.13 -2.10 -3.45 132.00 138.65 2dks h PRO 122 Ca -0.18 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.62 2dks h PRO 122 Cb 1.12 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.19 2dks h PRO 122 CO 0.14 0.43 -0.22 -1.13 -0.23 0.00 0.00 178.00 176.99 2dks n SER 123 N -3.86 2.50 -3.80 1.44 3.41 -1.26 -5.15 113.62 106.90 2dks n SER 123 Ca -0.01 -2.11 -0.24 0.00 -0.26 0.00 0.00 58.87 56.25 2dks n SER 123 Cb 0.48 0.13 -0.17 0.00 -0.26 0.00 0.00 64.21 64.38 2dks n SER 123 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2dks s ILE 124 N -1.80 0.50 -0.17 -1.33 1.01 -1.26 -5.03 121.20 113.12 2dks s ILE 124 Ca 0.05 0.04 -0.22 0.00 0.00 0.00 0.00 60.65 60.52 2dks s ILE 124 Cb -0.00 -0.63 -0.23 0.00 0.01 0.00 0.00 42.46 41.61 2dks s ILE 124 CO 0.03 0.28 0.42 -1.28 0.00 0.00 0.00 174.94 174.39 2dks h SER 125 N 8.28 0.09 -4.57 3.58 0.87 -2.01 -3.51 113.55 116.28 2dks h SER 125 Ca -0.22 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 59.63 2dks h SER 125 Cb 1.13 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2dks h SER 125 CO 0.29 1.42 0.00 0.61 -0.53 0.00 0.00 176.83 178.62 2dks n GLY 126 N 1.56 2.86 0.00 5.77 0.00 -1.26 -4.79 105.19 109.32 2dks n GLY 126 Ca -0.25 -1.73 0.07 0.00 0.00 0.00 0.00 46.02 44.11 2dks n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dks n PRO 127 N 0.39 0.28 -1.19 1.61 -0.04 -1.26 -4.83 135.00 129.96 2dks n PRO 127 Ca 0.00 0.11 -0.47 0.00 -0.04 0.00 0.00 63.50 63.10 2dks n PRO 127 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 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 -1.22 0.51 -3.88 3.54 2.88 -1.26 -4.89 113.62 109.31 2dks n SER 128 Ca 0.08 0.43 -0.18 0.00 -1.33 0.00 0.00 58.87 57.88 2dks n SER 128 Cb 0.10 -0.80 -0.16 0.00 -0.75 0.00 0.00 64.21 62.60 2dks n SER 128 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dks s SER 129 N 6.33 0.64 0.00 -3.46 0.01 -1.26 -5.22 113.70 110.74 2dks s SER 129 Ca 1.12 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 58.30 2dks s SER 129 Cb -1.25 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 64.71 2dks s SER 129 CO 0.53 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.74