#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 1.16 0.19 1.61 1.04 -1.26 -5.05 113.70 111.40 2dks s SER 2 Ca 0.00 -0.24 -0.21 0.00 0.48 0.00 0.00 55.95 55.97 2dks s SER 2 Cb 0.00 -0.11 0.13 0.00 0.10 0.00 0.00 66.02 66.15 2dks s SER 2 CO 0.00 0.08 1.57 0.28 0.98 0.00 0.00 173.24 176.15 2dks h SER 3 N 5.64 -1.36 0.00 7.02 0.02 -2.11 -3.47 113.55 119.29 2dks h SER 3 Ca -0.32 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2dks h SER 3 Cb 1.18 0.67 0.00 0.00 0.14 0.00 0.00 62.40 64.39 2dks h SER 3 CO 0.48 -0.30 0.00 0.61 -1.14 0.00 0.00 176.83 176.48 2dks n GLY 4 N -1.43 1.16 3.81 -3.77 0.00 -1.26 -5.03 105.19 98.67 2dks n GLY 4 Ca 0.05 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 2dks n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dks s SER 5 N -4.00 7.11 0.31 1.61 0.01 -1.26 -5.08 113.70 112.40 2dks s SER 5 Ca 0.00 1.36 0.11 0.00 1.31 0.00 0.00 55.95 58.73 2dks s SER 5 Cb 0.00 -2.40 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 2dks s SER 5 CO 0.00 0.19 -0.13 -0.44 0.41 0.00 0.00 173.24 173.27 2dks s SER 6 N -1.30 3.76 0.00 2.44 0.01 -1.26 -5.06 113.70 112.29 2dks s SER 6 Ca 0.34 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.54 2dks s SER 6 Cb -0.19 -0.37 0.00 0.00 0.21 0.00 0.00 66.02 65.66 2dks s SER 6 CO 0.21 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.39 2dks n GLY 7 N -0.74 0.14 3.53 3.44 0.00 -1.26 -5.02 105.19 105.28 2dks n GLY 7 Ca -0.05 -1.85 -0.49 0.00 0.00 0.00 0.00 46.02 43.63 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 0.32 0.30 -3.96 2.61 -2.24 -1.26 -4.95 114.28 105.09 2dks n THR 8 Ca 0.00 -0.26 -0.22 0.00 -2.27 0.00 0.00 64.05 61.30 2dks n THR 8 Cb 0.00 -1.84 -0.05 0.00 -2.10 0.00 0.00 70.33 66.34 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 6.72 3.66 -0.29 6.98 0.00 -1.26 -5.13 121.76 132.43 2dks s ALA 9 Ca 1.04 -1.73 -0.16 0.00 0.00 0.00 0.00 51.96 51.11 2dks s ALA 9 Cb -0.74 -0.95 0.15 0.00 0.00 0.00 0.00 23.12 21.58 2dks s ALA 9 CO 0.48 0.03 0.96 1.14 0.00 0.00 0.00 175.76 178.37 2dks s GLN 10 N -3.91 0.37 -0.13 0.00 -2.07 -1.26 -5.13 119.66 107.52 2dks s GLN 10 Ca 0.39 0.71 -0.40 0.00 -1.82 0.00 0.00 55.36 54.24 2dks s GLN 10 Cb -0.04 0.18 -0.18 0.00 -1.09 0.00 0.00 33.01 31.88 2dks s GLN 10 CO 0.24 -0.09 1.45 -0.11 -1.32 0.00 0.00 175.29 175.47 2dks n LEU 11 N 4.06 1.47 -4.26 2.60 0.00 -1.26 -4.70 117.00 114.91 2dks n LEU 11 Ca -0.16 1.13 -0.16 0.00 0.00 0.00 0.00 56.01 56.81 2dks n LEU 11 Cb 0.56 -1.07 -0.09 0.00 0.00 0.00 0.00 43.42 42.82 2dks n LEU 11 CO 0.00 -1.00 -0.19 0.28 0.00 0.00 0.00 177.39 176.48 2dks s THR 12 N 1.71 0.10 -0.03 1.96 -1.32 -0.68 -4.83 115.64 112.55 2dks s THR 12 Ca 0.93 -2.00 -0.00 0.00 -1.21 0.00 0.00 61.69 59.41 2dks s THR 12 Cb -1.14 -2.51 0.03 0.00 -1.51 0.00 0.00 72.50 67.37 2dks s THR 12 CO 0.60 0.00 0.05 -0.63 -2.21 0.00 0.00 174.62 172.43 2dks s ILE 13 N -3.81 -0.06 -0.15 5.08 1.01 -1.26 -0.81 121.20 121.19 2dks s ILE 13 Ca 0.39 0.22 0.02 0.00 0.00 0.00 0.00 60.65 61.27 2dks s ILE 13 Cb 0.05 -0.10 0.01 0.00 0.01 0.00 0.00 42.46 42.43 2dks s ILE 13 CO 0.18 0.09 -0.21 -0.70 0.00 0.00 0.00 174.94 174.30 2dks s GLU 14 N 1.11 3.04 0.27 2.79 2.12 -0.19 -4.80 118.70 123.04 2dks s GLU 14 Ca -0.09 -0.84 -0.30 0.00 0.36 0.00 0.00 54.97 54.11 2dks s GLU 14 Cb -0.13 -2.49 -0.09 0.00 0.26 0.00 0.00 34.13 31.68 2dks s GLU 14 CO -0.03 -0.05 1.08 0.00 -0.54 0.00 0.00 175.26 175.72 2dks s ALA 15 N 0.92 3.40 -0.19 6.30 0.00 -1.26 -0.61 121.76 130.32 2dks s ALA 15 Ca -0.04 0.87 -0.05 0.00 0.00 0.00 0.00 51.96 52.74 2dks s ALA 15 Cb -0.15 -3.32 0.07 0.00 0.00 0.00 0.00 23.12 19.72 2dks s ALA 15 CO -0.04 -0.13 0.10 0.08 0.00 0.00 0.00 175.76 175.77 2dks s VAL 16 N -1.12 -0.07 1.22 0.00 1.01 0.22 -2.93 120.40 118.72 2dks s VAL 16 Ca 0.44 -0.28 -0.20 0.00 0.00 0.00 0.00 61.98 61.95 2dks s VAL 16 Cb -0.31 -0.66 0.29 0.00 0.00 0.00 0.00 36.38 35.71 2dks s VAL 16 CO 0.40 -0.36 1.11 -2.16 0.00 0.00 0.00 175.10 174.09 2dks s PRO 17 N 2.13 -1.36 0.34 2.72 0.04 -1.26 -0.16 135.00 137.45 2dks s PRO 17 Ca 0.03 -0.11 0.21 0.00 0.04 0.00 0.00 61.00 61.17 2dks s PRO 17 Cb -0.16 -1.58 0.19 0.00 0.04 0.00 0.00 34.50 32.99 2dks s PRO 17 CO -0.14 -3.79 1.43 1.03 0.04 0.00 0.00 177.00 175.57 2dks h SER 18 N -2.64 0.00 -1.75 6.66 0.87 -1.93 -3.44 113.55 111.34 2dks h SER 18 Ca -0.44 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 59.97 2dks h SER 18 Cb 1.29 0.00 -0.29 0.00 -0.44 0.00 0.00 62.40 62.96 2dks h SER 18 CO 0.32 0.15 -0.49 0.54 -0.53 0.00 0.00 176.83 176.82 2dks s ASN 19 N -6.09 0.20 0.54 6.23 6.03 -1.26 -3.46 114.94 117.12 2dks s ASN 19 Ca 0.04 -0.02 0.07 0.00 -1.03 0.00 0.00 52.86 51.93 2dks s ASN 19 Cb 0.07 1.18 0.05 0.00 -3.03 0.00 0.00 41.25 39.51 2dks s ASN 19 CO 0.72 -0.32 0.55 0.00 -2.03 0.00 0.00 177.10 176.01 2dks s ALA 20 N 2.57 4.50 0.26 3.54 0.00 -0.98 -4.97 121.76 126.68 2dks s ALA 20 Ca 0.12 -1.67 0.11 0.00 0.00 0.00 0.00 51.96 50.52 2dks s ALA 20 Cb -0.14 -1.05 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 2dks s ALA 20 CO -0.23 -0.58 -0.12 0.00 0.00 0.00 0.00 175.76 174.84 2dks s ALA 21 N -2.69 2.90 0.06 0.00 0.00 -1.25 -1.66 121.76 119.12 2dks s ALA 21 Ca 0.46 -1.73 -0.37 0.00 0.00 0.00 0.00 51.96 50.32 2dks s ALA 21 Cb -0.04 -0.51 -0.18 0.00 0.00 0.00 0.00 23.12 22.39 2dks s ALA 21 CO 0.29 0.31 1.14 0.39 0.00 0.00 0.00 175.76 177.89 2dks n GLU 22 N -0.56 0.54 0.00 0.00 1.02 -1.23 -0.01 120.64 120.39 2dks n GLU 22 Ca -0.07 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2dks n GLU 22 Cb 0.59 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 2dks n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dks n GLY 23 N 1.95 1.85 3.92 0.62 0.00 0.05 -4.95 105.19 108.63 2dks n GLY 23 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 2dks n GLY 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dks n LYS 24 N -2.00 -0.58 -4.34 1.61 4.76 0.98 -4.31 118.16 114.28 2dks n LYS 24 Ca 0.00 -2.50 -0.26 0.00 -2.87 0.00 0.00 58.31 52.68 2dks n LYS 24 Cb 0.00 -0.95 -0.12 0.00 -1.84 0.00 0.00 35.03 32.12 2dks n LYS 24 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2dks s GLU 25 N -5.45 1.27 -0.08 1.97 8.01 -1.26 -0.57 118.70 122.59 2dks s GLU 25 Ca 0.71 -1.29 -0.01 0.00 0.01 0.00 0.00 54.97 54.39 2dks s GLU 25 Cb -0.03 -1.61 0.03 0.00 -4.31 0.00 0.00 34.13 28.21 2dks s GLU 25 CO 0.48 0.37 -0.02 0.08 0.01 0.00 0.00 175.26 176.18 2dks s VAL 26 N -1.25 0.51 -0.44 2.63 1.01 0.76 -4.41 120.40 119.21 2dks s VAL 26 Ca 0.11 0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.95 2dks s VAL 26 Cb -0.09 -0.63 0.04 0.00 0.00 0.00 0.00 36.38 35.70 2dks s VAL 26 CO 0.06 0.28 0.39 -0.22 0.00 0.00 0.00 175.10 175.60 2dks s LEU 27 N 1.81 5.19 -0.90 3.92 2.96 0.78 -0.17 118.68 132.27 2dks s LEU 27 Ca 0.03 -0.97 -0.23 0.00 -0.22 0.00 0.00 54.13 52.74 2dks s LEU 27 Cb -0.13 -2.25 0.06 0.00 0.50 0.00 0.00 46.19 44.37 2dks s LEU 27 CO -0.05 -0.58 1.31 -0.76 -1.32 0.00 0.00 176.35 174.95 2dks s LEU 28 N 1.87 3.73 0.83 -0.68 1.43 -0.65 -0.61 118.68 124.59 2dks s LEU 28 Ca 0.07 -1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 51.83 2dks s LEU 28 Cb -0.20 -2.53 0.09 0.00 0.03 0.00 0.00 46.19 43.58 2dks s LEU 28 CO 0.10 -1.52 1.09 -0.76 0.23 0.00 0.00 176.35 175.49 2dks s LEU 29 N 4.75 2.51 -0.02 1.79 1.43 0.22 -2.82 118.68 126.55 2dks s LEU 29 Ca 0.39 1.38 0.01 0.00 -1.03 0.00 0.00 54.13 54.88 2dks s LEU 29 Cb -0.04 -3.94 0.01 0.00 0.03 0.00 0.00 46.19 42.25 2dks s LEU 29 CO -0.01 -2.17 -0.05 -0.69 0.23 0.00 0.00 176.35 173.66 2dks s VAL 30 N -3.08 0.46 0.34 -1.59 1.01 -1.26 -1.02 120.40 115.25 2dks s VAL 30 Ca 0.62 -0.16 0.10 0.00 0.00 0.00 0.00 61.98 62.53 2dks s VAL 30 Cb -0.15 -0.44 -0.06 0.00 0.00 0.00 0.00 36.38 35.72 2dks s VAL 30 CO 0.55 0.17 -0.09 -1.00 0.00 0.00 0.00 175.10 174.73 2dks s HIS 31 N 0.39 2.42 -1.71 5.22 0.09 0.01 -4.69 115.29 117.02 2dks s HIS 31 Ca -0.05 -0.48 0.00 0.00 -0.00 0.00 0.00 55.06 54.54 2dks s HIS 31 Cb -0.08 -1.37 0.00 0.00 -0.00 0.00 0.00 32.58 31.13 2dks s HIS 31 CO -0.00 0.58 0.00 0.09 -0.00 0.00 0.00 174.74 175.41 2dks n ASN 32 N -0.81 -5.61 -4.57 1.40 3.02 -1.26 -1.69 115.26 105.74 2dks n ASN 32 Ca -0.05 0.01 -0.31 0.00 -0.03 0.00 0.00 54.58 54.20 2dks n ASN 32 Cb 0.63 -4.66 0.16 0.00 -0.61 0.00 0.00 39.78 35.31 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 -2.78 1.75 -4.77 3.41 4.77 -1.26 -4.02 117.00 114.09 2dks n LEU 33 Ca -0.23 0.33 -0.35 0.00 -0.03 0.00 0.00 56.01 55.73 2dks n LEU 33 Cb 0.68 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 2dks n LEU 33 CO 0.27 -2.71 0.79 -2.16 -1.33 0.00 0.00 177.39 172.25 2dks s PRO 34 N -4.29 3.40 0.15 3.23 0.04 -1.26 -4.95 135.00 131.32 2dks s PRO 34 Ca 0.64 1.63 -0.26 0.00 0.04 0.00 0.00 61.00 63.04 2dks s PRO 34 Cb -0.22 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.28 2dks s PRO 34 CO 0.62 -0.82 1.58 -0.56 0.04 0.00 0.00 177.00 177.86 2dks h GLN 35 N 1.28 -0.32 -3.37 4.56 3.07 -2.03 -3.35 115.11 114.94 2dks h GLN 35 Ca -0.50 0.02 -0.58 0.00 0.09 0.00 0.00 58.65 57.68 2dks h GLN 35 Cb 1.26 0.07 -0.40 0.00 0.08 0.00 0.00 27.48 28.49 2dks h GLN 35 CO 0.57 -0.22 -0.76 -0.51 0.09 0.00 0.00 178.83 178.01 2dks s ASP 36 N -5.02 3.89 0.62 0.06 1.01 -1.26 -5.13 116.67 110.83 2dks s ASP 36 Ca -0.15 -1.81 -0.17 0.00 0.71 0.00 0.00 52.55 51.13 2dks s ASP 36 Cb 0.12 -0.84 -0.02 0.00 1.01 0.00 0.00 42.92 43.18 2dks s ASP 36 CO 0.66 -0.39 1.12 -2.16 0.21 0.00 0.00 175.17 174.61 2dks s PRO 37 N 1.41 3.01 -0.08 8.23 0.04 -1.26 -3.22 135.00 143.13 2dks s PRO 37 Ca 0.11 1.47 0.07 0.00 0.04 0.00 0.00 61.00 62.70 2dks s PRO 37 Cb -0.19 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 2dks s PRO 37 CO -0.20 -1.10 0.02 -2.13 0.04 0.00 0.00 177.00 173.63 2dks n ARG 38 N -2.00 2.60 0.00 4.56 0.63 0.14 -4.74 116.66 117.85 2dks n ARG 38 Ca 0.11 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 2dks n ARG 38 Cb 0.52 -1.21 0.00 0.00 0.45 0.00 0.00 32.46 32.22 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 2.52 1.61 3.92 5.14 0.00 -1.10 -1.70 105.19 115.58 2dks n GLY 39 Ca -0.13 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.11 3.51 -0.23 1.61 2.02 0.13 -0.13 117.35 123.16 2dks s TYR 40 Ca 0.00 0.24 -0.03 0.00 -0.37 0.00 0.00 57.07 56.90 2dks s TYR 40 Cb 0.00 -1.75 0.12 0.00 -0.40 0.00 0.00 41.96 39.92 2dks s TYR 40 CO 0.00 0.56 0.31 -0.80 -1.57 0.00 0.00 175.55 174.06 2dks s ASN 41 N -2.68 0.70 0.26 2.29 0.01 0.11 -1.05 114.94 114.57 2dks s ASN 41 Ca 0.35 0.05 -0.02 0.00 -0.71 0.00 0.00 52.86 52.53 2dks s ASN 41 Cb -0.12 0.82 -0.04 0.00 0.41 0.00 0.00 41.25 42.31 2dks s ASN 41 CO 0.28 -0.31 0.47 0.26 -1.51 0.00 0.00 177.10 176.29 2dks s TRP 42 N 2.46 3.48 0.30 2.20 0.52 -0.05 0.05 118.94 127.90 2dks s TRP 42 Ca 0.10 0.43 0.02 0.00 0.02 0.00 0.00 56.10 56.67 2dks s TRP 42 Cb -0.16 -1.93 -0.02 0.00 -1.15 0.00 0.00 33.47 30.21 2dks s TRP 42 CO -0.14 0.26 0.30 0.71 0.02 0.00 0.00 176.95 178.10 2dks s TYR 43 N -2.03 1.37 -0.18 -1.98 1.51 -0.08 -1.97 117.35 113.98 2dks s TYR 43 Ca 0.40 -1.45 -0.04 0.00 -1.01 0.00 0.00 57.07 54.97 2dks s TYR 43 Cb -0.11 -0.48 0.06 0.00 -0.11 0.00 0.00 41.96 41.33 2dks s TYR 43 CO 0.31 -0.89 0.07 0.21 -1.11 0.00 0.00 175.55 174.15 2dks s LYS 44 N -3.56 0.25 0.00 -0.62 2.20 -0.05 -3.52 119.74 114.44 2dks s LYS 44 Ca 0.37 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 2dks s LYS 44 Cb 0.03 -1.91 0.00 0.00 -1.51 0.00 0.00 37.83 34.44 2dks s LYS 44 CO 0.21 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 2dks n GLY 45 N 5.21 0.96 3.16 5.54 0.00 -1.17 -4.76 105.19 114.11 2dks n GLY 45 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.39 -3.81 1.61 1.02 -1.26 -4.98 120.64 107.83 2dks n GLU 46 Ca 0.00 0.87 -0.12 0.00 -0.02 0.00 0.00 57.16 57.89 2dks n GLU 46 Cb 0.00 -5.77 -0.10 0.00 -0.02 0.00 0.00 31.44 25.55 2dks n GLU 46 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2dks s THR 47 N -3.20 0.04 -0.91 2.62 -4.23 -1.26 -4.96 115.64 103.74 2dks s THR 47 Ca 0.37 -0.32 -0.02 0.00 -1.18 0.00 0.00 61.69 60.53 2dks s THR 47 Cb -0.16 -0.43 0.26 0.00 1.34 0.00 0.00 72.50 73.51 2dks s THR 47 CO 0.45 -0.17 2.14 0.52 -0.54 0.00 0.00 174.62 177.02 2dks n VAL 48 N 2.12 4.63 -4.48 2.29 0.31 -1.26 -4.44 118.33 117.50 2dks n VAL 48 Ca -0.18 -4.64 -0.34 0.00 -0.01 0.00 0.00 64.34 59.17 2dks n VAL 48 Cb 0.57 -1.52 -0.11 0.00 -0.91 0.00 0.00 33.84 31.87 2dks n VAL 48 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2dks s ASP 49 N -0.71 4.92 0.50 4.52 1.01 -1.26 -5.00 116.67 120.65 2dks s ASP 49 Ca 0.49 0.03 0.18 0.00 0.71 0.00 0.00 52.55 53.96 2dks s ASP 49 Cb 0.31 -1.41 1.25 0.00 1.01 0.00 0.00 42.92 44.08 2dks s ASP 49 CO -0.24 0.33 2.06 0.00 0.21 0.00 0.00 175.17 177.53 2dks h ALA 50 N 5.49 2.17 -0.80 5.23 0.00 -1.97 -1.05 119.26 128.33 2dks h ALA 50 Ca -0.46 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.52 2dks h ALA 50 Cb 1.18 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 2dks h ALA 50 CO 0.55 -0.24 0.52 -0.91 0.00 0.00 0.00 179.25 179.17 2dks h ASN 51 N 0.10 0.72 -0.42 0.00 2.35 -1.99 -1.48 115.58 114.87 2dks h ASN 51 Ca 0.14 0.01 -0.19 0.00 -0.55 0.00 0.00 56.30 55.71 2dks h ASN 51 Cb 0.45 -0.14 -0.11 0.00 0.05 0.00 0.00 38.32 38.56 2dks h ASN 51 CO -0.02 0.45 0.02 0.54 -1.65 0.00 0.00 177.43 176.78 2dks n ARG 52 N -4.49 2.09 -2.52 0.81 5.12 -0.44 -4.66 116.66 112.56 2dks n ARG 52 Ca 0.13 -3.11 -0.42 0.00 -1.93 0.00 0.00 57.85 52.51 2dks n ARG 52 Cb 0.26 -1.87 -0.03 0.00 -1.16 0.00 0.00 32.46 29.66 2dks n ARG 52 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2dks s ARG 53 N -3.19 4.37 -0.11 5.56 3.52 -0.56 -0.87 118.95 127.68 2dks s ARG 53 Ca 0.46 1.60 -0.05 0.00 -0.13 0.00 0.00 55.73 57.61 2dks s ARG 53 Cb 0.41 -3.55 -0.02 0.00 -1.56 0.00 0.00 34.95 30.23 2dks s ARG 53 CO 0.03 -0.41 -0.09 0.82 -0.81 0.00 0.00 175.30 174.84 2dks h ILE 54 N 5.03 0.00 -3.15 4.11 2.04 -1.66 -2.39 117.51 121.49 2dks h ILE 54 Ca -0.33 -0.86 -0.15 0.00 1.00 0.00 0.00 64.86 64.52 2dks h ILE 54 Cb 1.16 0.00 -0.23 0.00 -0.74 0.00 0.00 36.82 37.00 2dks h ILE 54 CO 0.87 0.00 -0.39 -0.51 0.00 0.00 0.00 178.15 178.12 2dks s ILE 55 N -1.82 0.03 -0.06 -0.67 1.10 -1.24 -1.19 121.20 117.34 2dks s ILE 55 Ca -0.07 -0.23 -0.01 0.00 -0.51 0.00 0.00 60.65 59.82 2dks s ILE 55 Cb 0.01 -0.44 0.03 0.00 0.15 0.00 0.00 42.46 42.21 2dks s ILE 55 CO 0.11 -0.13 0.02 -0.83 -2.11 0.00 0.00 174.94 172.01 2dks s GLY 56 N -0.46 0.37 0.01 1.50 0.00 -0.83 -0.87 107.32 107.04 2dks s GLY 56 Ca -0.06 -0.01 0.08 0.00 0.00 0.00 0.00 44.72 44.74 2dks s GLY 56 CO 0.01 1.20 -0.25 -0.47 0.00 0.00 0.00 173.10 173.59 2dks s TYR 57 N 1.99 2.22 -0.26 1.90 5.04 -0.22 -0.23 117.35 127.80 2dks s TYR 57 Ca 0.04 -0.41 0.01 0.00 -2.44 0.00 0.00 57.07 54.27 2dks s TYR 57 Cb -0.12 -1.39 0.05 0.00 0.35 0.00 0.00 41.96 40.85 2dks s TYR 57 CO -0.04 0.03 -0.09 0.08 -1.34 0.00 0.00 175.55 174.19 2dks s VAL 58 N -0.67 2.50 0.36 3.14 1.01 -0.02 0.22 120.40 126.93 2dks s VAL 58 Ca 0.10 -1.36 0.09 0.00 0.00 0.00 0.00 61.98 60.81 2dks s VAL 58 Cb -0.10 -2.37 0.12 0.00 0.00 0.00 0.00 36.38 34.04 2dks s VAL 58 CO 0.00 0.07 1.86 0.40 0.00 0.00 0.00 175.10 177.43 2dks h ILE 59 N 6.46 1.22 0.00 2.22 2.04 -1.64 1.53 117.51 129.34 2dks h ILE 59 Ca -0.26 -1.00 0.03 0.00 1.00 0.00 0.00 64.86 64.63 2dks h ILE 59 Cb 1.07 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.46 2dks h ILE 59 CO 0.52 0.30 -0.30 -1.28 0.00 0.00 0.00 178.15 177.39 2dks h SER 60 N 0.21 -0.90 -0.34 1.72 0.87 -1.80 -2.88 113.55 110.42 2dks h SER 60 Ca 0.04 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2dks h SER 60 Cb 0.50 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 2dks h SER 60 CO 0.03 -0.37 0.00 -0.46 -0.53 0.00 0.00 176.83 175.50 2dks n ASN 61 N -5.40 2.97 -4.00 6.23 0.23 -1.18 -4.98 115.26 109.13 2dks n ASN 61 Ca -0.05 -1.89 -0.27 0.00 -0.53 0.00 0.00 54.58 51.84 2dks n ASN 61 Cb 0.32 -0.22 -0.03 0.00 -2.08 0.00 0.00 39.78 37.77 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 0.89 -2.77 -4.68 -3.83 6.02 0.51 -4.96 117.38 108.57 2dks n GLN 62 Ca 0.14 0.35 -0.32 0.00 -0.01 0.00 0.00 57.00 57.16 2dks n GLN 62 Cb 0.46 -4.32 -0.12 0.00 1.02 0.00 0.00 30.24 27.28 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 -6.67 2.42 -0.18 -1.09 0.74 -0.66 -4.92 119.66 109.29 2dks s GLN 63 Ca 0.03 -0.77 -0.02 0.00 0.05 0.00 0.00 55.36 54.66 2dks s GLN 63 Cb -0.01 -2.38 -0.01 0.00 1.10 0.00 0.00 33.01 31.71 2dks s GLN 63 CO 0.91 0.60 -0.10 0.42 -0.55 0.00 0.00 175.29 176.57 2dks s ILE 64 N -0.87 3.06 -0.33 -2.34 1.01 -1.26 -0.84 121.20 119.64 2dks s ILE 64 Ca 0.14 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.18 2dks s ILE 64 Cb -0.11 -2.34 0.10 0.00 0.01 0.00 0.00 42.46 40.12 2dks s ILE 64 CO 0.04 0.48 0.10 -0.89 0.00 0.00 0.00 174.94 174.67 2dks s THR 65 N 1.05 1.24 0.07 2.92 2.01 0.68 -5.02 115.64 118.59 2dks s THR 65 Ca -0.00 -1.72 -0.31 0.00 0.31 0.00 0.00 61.69 59.98 2dks s THR 65 Cb -0.15 -1.93 -0.07 0.00 0.01 0.00 0.00 72.50 70.37 2dks s THR 65 CO -0.02 -0.68 1.39 -2.16 -0.69 0.00 0.00 174.62 172.47 2dks s PRO 66 N 1.34 4.31 0.35 4.92 0.04 -1.26 -1.96 135.00 142.74 2dks s PRO 66 Ca 0.11 2.03 -0.06 0.00 0.04 0.00 0.00 61.00 63.12 2dks s PRO 66 Cb -0.18 -3.38 0.09 0.00 0.04 0.00 0.00 34.50 31.06 2dks s PRO 66 CO -0.19 -0.49 0.36 0.41 0.04 0.00 0.00 177.00 177.13 2dks n GLY 67 N 3.55 -2.11 0.17 0.56 0.00 -0.33 -4.92 105.19 102.11 2dks n GLY 67 Ca 0.12 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 0.03 -0.99 1.61 0.13 -1.76 -2.94 132.00 128.08 2dks h PRO 68 Ca -0.13 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.83 2dks h PRO 68 Cb 0.38 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.42 2dks h PRO 68 CO 0.09 0.50 0.20 0.00 -0.23 0.00 0.00 178.00 178.56 2dks n ALA 69 N -2.45 3.47 -2.61 -0.56 0.00 -0.92 -4.83 120.51 112.61 2dks n ALA 69 Ca -0.02 -0.92 -0.39 0.00 0.00 0.00 0.00 53.44 52.12 2dks n ALA 69 Cb 0.50 -1.14 -0.11 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.13 3.21 -2.56 0.00 5.04 -1.11 -4.64 117.35 116.16 2dks s TYR 70 Ca 0.19 -0.08 0.23 0.00 -2.44 0.00 0.00 57.07 54.97 2dks s TYR 70 Cb 0.16 -2.41 0.44 0.00 0.35 0.00 0.00 41.96 40.50 2dks s TYR 70 CO 0.04 -0.27 1.41 -1.13 -1.34 0.00 0.00 175.55 174.26 2dks n SER 71 N 5.06 3.07 -1.02 4.32 3.41 -1.26 -4.93 113.62 122.27 2dks n SER 71 Ca -0.14 -1.94 -0.09 0.00 -0.26 0.00 0.00 58.87 56.44 2dks n SER 71 Cb 0.51 -0.17 -0.00 0.00 -0.26 0.00 0.00 64.21 64.28 2dks n SER 71 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2dks n ASN 72 N 1.27 -3.07 0.00 4.04 5.15 -1.26 -4.89 115.26 116.49 2dks n ASN 72 Ca 0.18 -0.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.14 2dks n ASN 72 Cb 0.56 -2.34 0.00 0.00 -0.53 0.00 0.00 39.78 37.47 2dks n ASN 72 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2dks n ARG 73 N -1.85 5.13 -4.01 1.20 1.74 -1.26 -5.04 116.66 112.57 2dks n ARG 73 Ca -0.10 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.66 2dks n ARG 73 Cb 0.58 -0.57 -0.06 0.00 -1.02 0.00 0.00 32.46 31.39 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 -1.12 3.16 -0.04 5.56 2.02 -1.26 -2.69 118.70 124.33 2dks s GLU 74 Ca 0.00 -0.51 -0.01 0.00 0.02 0.00 0.00 54.97 54.47 2dks s GLU 74 Cb 0.00 -2.90 0.03 0.00 0.10 0.00 0.00 34.13 31.36 2dks s GLU 74 CO 0.00 0.62 0.03 0.99 0.02 0.00 0.00 175.26 176.92 2dks s THR 75 N -1.34 0.03 0.95 3.63 2.01 -1.07 -4.96 115.64 114.89 2dks s THR 75 Ca 0.28 0.26 -0.12 0.00 0.31 0.00 0.00 61.69 62.42 2dks s THR 75 Cb -0.12 -0.21 0.16 0.00 0.01 0.00 0.00 72.50 72.34 2dks s THR 75 CO 0.20 0.16 1.09 -0.63 -0.69 0.00 0.00 174.62 174.75 2dks s ILE 76 N 1.60 2.37 0.14 1.82 1.09 -1.26 -1.46 121.20 125.50 2dks s ILE 76 Ca -0.02 0.12 0.03 0.00 -1.10 0.00 0.00 60.65 59.69 2dks s ILE 76 Cb -0.13 -2.59 -0.04 0.00 -1.06 0.00 0.00 42.46 38.64 2dks s ILE 76 CO -0.03 -0.16 -0.08 -0.31 -0.10 0.00 0.00 174.94 174.27 2dks s TYR 77 N -2.93 1.19 -2.00 3.97 1.51 0.11 -4.86 117.35 114.34 2dks s TYR 77 Ca 0.64 -0.83 0.13 0.00 -1.01 0.00 0.00 57.07 56.00 2dks s TYR 77 Cb -0.19 -0.64 0.77 0.00 -0.11 0.00 0.00 41.96 41.80 2dks s TYR 77 CO 0.57 -0.01 1.19 -0.35 -1.11 0.00 0.00 175.55 175.85 2dks n PRO 78 N -0.18 0.49 -0.06 -1.71 -0.04 -1.26 -1.93 135.00 130.31 2dks n PRO 78 Ca -0.10 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.43 2dks n PRO 78 Cb 0.61 -1.41 0.10 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 -0.91 2.29 -0.95 3.54 3.02 -1.26 -4.96 115.26 116.03 2dks n ASN 79 Ca 0.10 -2.77 -0.09 0.00 -0.03 0.00 0.00 54.58 51.79 2dks n ASN 79 Cb 0.04 -0.31 -0.01 0.00 -0.61 0.00 0.00 39.78 38.90 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 -1.13 -0.24 -2.76 5.41 0.00 -0.81 -4.48 120.51 116.49 2dks n ALA 80 Ca 0.12 0.08 -0.26 0.00 0.00 0.00 0.00 53.44 53.37 2dks n ALA 80 Cb 0.53 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.64 5.34 -0.12 0.00 0.01 -1.25 -4.71 113.70 110.32 2dks s SER 81 Ca 0.00 -0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.08 2dks s SER 81 Cb 0.00 -1.34 0.02 0.00 0.21 0.00 0.00 66.02 64.91 2dks s SER 81 CO 0.00 0.08 -0.12 -0.22 0.41 0.00 0.00 173.24 173.38 2dks s LEU 82 N -3.05 1.55 -0.40 2.44 2.96 -1.13 0.06 118.68 121.12 2dks s LEU 82 Ca 0.30 -0.39 -0.19 0.00 -0.22 0.00 0.00 54.13 53.62 2dks s LEU 82 Cb -0.10 -1.01 0.01 0.00 0.50 0.00 0.00 46.19 45.59 2dks s LEU 82 CO 0.22 -0.04 0.57 -0.22 -1.32 0.00 0.00 176.35 175.56 2dks s LEU 83 N 1.30 4.49 -0.30 -0.68 2.96 -0.54 -1.63 118.68 124.27 2dks s LEU 83 Ca -0.01 -0.25 -0.20 0.00 -0.22 0.00 0.00 54.13 53.45 2dks s LEU 83 Cb -0.14 -2.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.91 2dks s LEU 83 CO -0.05 -0.64 0.60 -0.32 -1.32 0.00 0.00 176.35 174.62 2dks s MET 84 N 2.57 3.89 0.11 1.98 -2.45 0.77 -2.60 119.30 123.56 2dks s MET 84 Ca 0.20 0.25 0.02 0.00 -1.25 0.00 0.00 55.69 54.91 2dks s MET 84 Cb -0.15 -3.73 -0.04 0.00 1.25 0.00 0.00 34.83 32.17 2dks s MET 84 CO 0.16 -0.55 0.17 1.03 1.05 0.00 0.00 175.02 176.88 2dks s ARG 85 N 2.55 3.16 -1.29 4.11 0.52 -1.09 -0.17 118.95 126.74 2dks s ARG 85 Ca 0.24 -0.63 -0.07 0.00 -0.52 0.00 0.00 55.73 54.75 2dks s ARG 85 Cb -0.15 -2.85 -0.00 0.00 0.52 0.00 0.00 34.95 32.46 2dks s ARG 85 CO 0.12 0.55 0.62 0.09 0.02 0.00 0.00 175.30 176.70 2dks n ASN 86 N 0.04 -2.24 -4.72 0.23 4.13 -0.99 -4.88 115.26 106.83 2dks n ASN 86 Ca -0.07 -0.96 -0.32 0.00 1.68 0.00 0.00 54.58 54.91 2dks n ASN 86 Cb 0.53 -3.47 0.12 0.00 -1.54 0.00 0.00 39.78 35.42 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 -3.72 2.54 0.16 2.41 -7.23 0.27 -4.60 120.40 110.23 2dks s VAL 87 Ca 0.16 0.20 0.02 0.00 -1.81 0.00 0.00 61.98 60.56 2dks s VAL 87 Cb -0.06 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.32 2dks s VAL 87 CO 0.86 -0.20 -0.02 0.42 -0.31 0.00 0.00 175.10 175.84 2dks s THR 88 N -2.53 0.74 0.49 5.32 -4.23 -1.26 -0.77 115.64 113.40 2dks s THR 88 Ca 0.67 -1.98 0.16 0.00 -1.18 0.00 0.00 61.69 59.36 2dks s THR 88 Cb -0.23 -2.02 0.24 0.00 1.34 0.00 0.00 72.50 71.83 2dks s THR 88 CO 0.53 -0.57 2.09 0.08 -0.54 0.00 0.00 174.62 176.22 2dks h ARG 89 N 2.74 0.00 -0.19 3.99 -0.00 -1.96 -2.39 114.38 116.57 2dks h ARG 89 Ca -0.36 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.47 2dks h ARG 89 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.17 2dks h ARG 89 CO 0.63 0.07 -0.46 -2.95 -0.00 0.00 0.00 179.97 177.25 2dks h ASN 90 N 0.00 0.73 -1.45 0.08 -1.07 -1.96 -3.13 115.58 108.78 2dks h ASN 90 Ca -0.00 -0.57 0.45 0.00 0.07 0.00 0.00 56.30 56.25 2dks h ASN 90 Cb 0.12 -0.21 -0.10 0.00 -2.07 0.00 0.00 38.32 36.05 2dks h ASN 90 CO 0.01 1.17 0.98 0.44 0.07 0.00 0.00 177.43 180.10 2dks h ASP 91 N 0.32 0.17 -1.36 6.14 3.32 -1.83 -3.40 116.42 119.77 2dks h ASP 91 Ca -0.00 0.08 -0.78 0.00 0.02 0.00 0.00 57.03 56.35 2dks h ASP 91 Cb 1.08 0.07 0.02 0.00 0.22 0.00 0.00 39.33 40.72 2dks h ASP 91 CO 0.10 -0.10 0.76 0.41 -1.72 0.00 0.00 179.24 178.69 2dks n THR 92 N -4.44 0.17 0.00 0.35 -1.04 -1.19 -4.58 114.28 103.56 2dks n THR 92 Ca 0.37 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 2dks n THR 92 Cb 1.52 -0.91 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 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 3.87 -0.80 3.45 3.41 0.00 -1.26 -5.06 105.19 108.80 2dks n GLY 93 Ca 0.27 0.63 -0.15 0.00 0.00 0.00 0.00 46.02 46.77 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 -0.56 -0.16 1.61 0.01 -1.26 -4.78 113.70 104.56 2dks s SER 94 Ca 0.00 0.91 -0.04 0.00 1.31 0.00 0.00 55.95 58.13 2dks s SER 94 Cb 0.00 0.91 0.06 0.00 0.21 0.00 0.00 66.02 67.20 2dks s SER 94 CO 0.00 -0.33 0.08 -0.31 0.41 0.00 0.00 173.24 173.09 2dks s TYR 95 N -0.27 0.30 -0.04 2.43 1.51 -1.26 -3.07 117.35 116.95 2dks s TYR 95 Ca -0.04 -0.32 -0.22 0.00 -1.01 0.00 0.00 57.07 55.48 2dks s TYR 95 Cb -0.03 -0.72 -0.05 0.00 -0.11 0.00 0.00 41.96 41.06 2dks s TYR 95 CO 0.03 -0.49 0.63 0.99 -1.11 0.00 0.00 175.55 175.61 2dks s THR 96 N 2.10 4.99 -0.29 -0.71 2.01 -1.23 -1.65 115.64 120.86 2dks s THR 96 Ca 0.02 1.31 -0.01 0.00 0.31 0.00 0.00 61.69 63.32 2dks s THR 96 Cb -0.16 -3.97 0.05 0.00 0.01 0.00 0.00 72.50 68.43 2dks s THR 96 CO -0.08 0.33 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.94 2dks s LEU 97 N 0.33 3.79 -0.21 4.42 1.98 -0.80 -0.90 118.68 127.28 2dks s LEU 97 Ca 0.33 -1.29 -0.08 0.00 -2.89 0.00 0.00 54.13 50.20 2dks s LEU 97 Cb -0.18 -1.68 -0.04 0.00 0.66 0.00 0.00 46.19 44.96 2dks s LEU 97 CO 0.17 -0.24 0.09 -1.58 -1.89 0.00 0.00 176.35 172.90 2dks s GLN 98 N 1.22 3.94 -0.08 1.98 0.74 0.11 -3.15 119.66 124.42 2dks s GLN 98 Ca -0.06 -0.35 0.04 0.00 0.05 0.00 0.00 55.36 55.04 2dks s GLN 98 Cb -0.20 -3.33 -0.01 0.00 1.10 0.00 0.00 33.01 30.57 2dks s GLN 98 CO -0.02 0.11 -0.21 0.54 -0.55 0.00 0.00 175.29 175.17 2dks s VAL 99 N 0.83 2.42 0.06 1.34 0.11 -1.24 0.04 120.40 123.95 2dks s VAL 99 Ca 0.05 -0.92 -0.16 0.00 -2.93 0.00 0.00 61.98 58.01 2dks s VAL 99 Cb -0.13 -1.93 -0.06 0.00 -1.53 0.00 0.00 36.38 32.73 2dks s VAL 99 CO 0.02 0.56 0.50 -0.63 -3.33 0.00 0.00 175.10 172.22 2dks s ILE 100 N -0.05 4.88 0.54 7.04 1.09 0.82 -1.27 121.20 134.26 2dks s ILE 100 Ca -0.06 0.98 0.04 0.00 -1.10 0.00 0.00 60.65 60.52 2dks s ILE 100 Cb -0.14 -3.79 0.05 0.00 -1.06 0.00 0.00 42.46 37.51 2dks s ILE 100 CO 0.05 0.51 0.75 -0.54 -0.10 0.00 0.00 174.94 175.60 2dks s LYS 101 N -1.26 2.45 0.46 2.79 1.02 0.11 0.28 119.74 125.59 2dks s LYS 101 Ca 0.28 -1.13 0.28 0.00 0.02 0.00 0.00 55.97 55.43 2dks s LYS 101 Cb -0.18 -2.57 0.87 0.00 -0.52 0.00 0.00 37.83 35.43 2dks s LYS 101 CO 0.17 -0.72 1.79 -0.07 -0.92 0.00 0.00 175.35 175.60 2dks h LEU 102 N 0.17 0.00 -1.98 3.17 -0.00 -1.84 -3.02 115.31 111.81 2dks h LEU 102 Ca -0.38 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.46 2dks h LEU 102 Cb 1.29 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.92 2dks h LEU 102 CO 0.46 0.00 0.05 -0.46 -0.00 0.00 0.00 178.44 178.49 2dks n ASN 103 N -2.96 2.63 -3.31 -0.43 6.94 -1.26 -4.84 115.26 112.03 2dks n ASN 103 Ca 0.02 -2.33 -0.19 0.00 -0.02 0.00 0.00 54.58 52.07 2dks n ASN 103 Cb 0.40 -0.57 0.08 0.00 -2.36 0.00 0.00 39.78 37.33 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 0.14 -3.62 -4.53 -4.53 4.77 -1.14 -5.02 117.00 103.08 2dks n LEU 104 Ca 0.11 -0.54 -0.26 0.00 -0.03 0.00 0.00 56.01 55.29 2dks n LEU 104 Cb 0.62 -2.90 -0.08 0.00 -2.33 0.00 0.00 43.42 38.72 2dks n LEU 104 CO 0.12 0.47 -0.20 -0.04 -1.33 0.00 0.00 177.39 176.41 2dks s MET 105 N -5.71 1.94 -0.08 3.23 -1.94 -1.25 -4.95 119.30 110.54 2dks s MET 105 Ca 0.25 -2.18 -0.17 0.00 -1.71 0.00 0.00 55.69 51.89 2dks s MET 105 Cb -0.11 -0.67 0.04 0.00 2.01 0.00 0.00 34.83 36.09 2dks s MET 105 CO 0.68 -0.46 0.40 -1.54 -0.01 0.00 0.00 175.02 174.09 2dks s SER 106 N -3.62 -0.35 0.54 3.03 1.04 -1.26 0.07 113.70 113.15 2dks s SER 106 Ca 0.23 0.49 0.03 0.00 0.48 0.00 0.00 55.95 57.18 2dks s SER 106 Cb 0.03 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.75 2dks s SER 106 CO 0.14 -0.34 0.27 -0.62 0.98 0.00 0.00 173.24 173.68 2dks n GLU 107 N 1.91 0.70 -3.79 4.02 -0.58 -0.40 -4.96 120.64 117.55 2dks n GLU 107 Ca -0.18 -3.54 -0.13 0.00 -0.42 0.00 0.00 57.16 52.89 2dks n GLU 107 Cb 0.57 0.58 -0.12 0.00 -0.57 0.00 0.00 31.44 31.89 2dks n GLU 107 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2dks s GLU 108 N -4.12 0.21 -0.27 3.49 2.02 -1.26 -3.65 118.70 115.12 2dks s GLU 108 Ca 0.21 0.32 -0.04 0.00 0.02 0.00 0.00 54.97 55.48 2dks s GLU 108 Cb -0.02 0.05 0.15 0.00 0.10 0.00 0.00 34.13 34.41 2dks s GLU 108 CO 0.13 -0.06 0.53 0.54 0.02 0.00 0.00 175.26 176.42 2dks s VAL 109 N 0.39 -0.85 -0.63 2.63 0.11 -1.19 -4.95 120.40 115.91 2dks s VAL 109 Ca -0.02 0.01 -0.27 0.00 -2.93 0.00 0.00 61.98 58.77 2dks s VAL 109 Cb -0.04 -0.90 0.03 0.00 -1.53 0.00 0.00 36.38 33.94 2dks s VAL 109 CO -0.02 -0.02 1.16 -0.89 -3.33 0.00 0.00 175.10 172.01 2dks s THR 110 N 2.75 4.01 -0.21 5.04 2.01 -1.26 -1.91 115.64 126.06 2dks s THR 110 Ca 0.10 0.58 0.01 0.00 0.31 0.00 0.00 61.69 62.69 2dks s THR 110 Cb -0.14 -4.75 0.05 0.00 0.01 0.00 0.00 72.50 67.67 2dks s THR 110 CO -0.18 -1.46 -0.08 -0.83 -0.69 0.00 0.00 174.62 171.37 2dks s GLY 111 N 3.21 1.29 0.34 4.40 0.00 -0.66 -4.81 107.32 111.09 2dks s GLY 111 Ca 0.37 -1.29 0.06 0.00 0.00 0.00 0.00 44.72 43.86 2dks s GLY 111 CO 0.20 0.78 0.21 0.61 0.00 0.00 0.00 173.10 174.90 2dks n GLN 112 N 4.67 0.47 -3.11 2.90 0.00 -1.26 -4.09 117.38 116.96 2dks n GLN 112 Ca -0.14 -3.14 -0.10 0.00 0.00 0.00 0.00 57.00 53.63 2dks n GLN 112 Cb 0.45 2.19 -0.04 0.00 0.00 0.00 0.00 30.24 32.85 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 -0.70 -0.47 -4.43 2.61 -1.74 -1.26 -4.59 117.46 106.88 2dks n PHE 113 Ca 0.02 -1.42 -0.26 0.00 -0.56 0.00 0.00 57.45 55.22 2dks n PHE 113 Cb 0.56 0.17 -0.13 0.00 1.52 0.00 0.00 39.48 41.60 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 -2.19 2.80 -0.04 5.98 0.15 -1.22 -4.27 113.70 114.91 2dks s SER 114 Ca 0.20 -0.67 0.03 0.00 0.70 0.00 0.00 55.95 56.22 2dks s SER 114 Cb 0.01 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2dks s SER 114 CO 0.14 0.13 -0.13 -0.69 1.20 0.00 0.00 173.24 173.89 2dks s VAL 115 N -1.04 1.11 -0.05 4.45 1.01 -1.26 -2.31 120.40 122.32 2dks s VAL 115 Ca 0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 2dks s VAL 115 Cb -0.10 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.32 2dks s VAL 115 CO 0.04 0.33 0.12 -1.38 0.00 0.00 0.00 175.10 174.21 2dks s HIS 116 N 0.17 -0.13 0.59 5.22 -3.43 -0.67 -4.68 115.29 112.38 2dks s HIS 116 Ca -0.05 0.33 -0.17 0.00 -0.80 0.00 0.00 55.06 54.37 2dks s HIS 116 Cb -0.11 0.02 -0.03 0.00 -1.43 0.00 0.00 32.58 31.03 2dks s HIS 116 CO 0.02 -0.07 1.12 -1.25 -2.00 0.00 0.00 174.74 172.55 2dks s PRO 117 N 0.21 3.12 -0.66 -0.38 0.04 -1.26 -3.58 135.00 132.49 2dks s PRO 117 Ca -0.01 1.51 -0.07 0.00 0.04 0.00 0.00 61.00 62.47 2dks s PRO 117 Cb -0.02 -1.98 -0.14 0.00 0.04 0.00 0.00 34.50 32.39 2dks s PRO 117 CO -0.01 -1.02 3.22 0.39 0.04 0.00 0.00 177.00 179.63 2dks n GLU 118 N -1.79 2.78 -3.51 4.56 1.02 -1.26 -4.92 120.64 117.53 2dks n GLU 118 Ca 0.11 -1.73 -0.36 0.00 -0.02 0.00 0.00 57.16 55.16 2dks n GLU 118 Cb 0.51 -2.31 -0.06 0.00 -0.02 0.00 0.00 31.44 29.56 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 0.77 5.03 0.22 2.62 -4.23 -1.26 -5.06 115.64 113.73 2dks s THR 119 Ca 0.66 0.64 -0.30 0.00 -1.18 0.00 0.00 61.69 61.51 2dks s THR 119 Cb 0.27 -3.68 -0.09 0.00 1.34 0.00 0.00 72.50 70.34 2dks s THR 119 CO -0.05 0.37 1.29 -2.16 -0.54 0.00 0.00 174.62 173.52 2dks s PRO 120 N -1.66 4.41 0.28 3.99 0.04 -1.26 -5.00 135.00 135.79 2dks s PRO 120 Ca 0.31 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.10 2dks s PRO 120 Cb -0.15 -3.18 -0.09 0.00 0.04 0.00 0.00 34.50 31.11 2dks s PRO 120 CO 0.17 -0.20 1.06 0.15 0.04 0.00 0.00 177.00 178.22 2dks s LYS 121 N -0.40 4.65 0.10 4.56 3.01 -1.26 -4.99 119.74 125.40 2dks s LYS 121 Ca 0.55 1.72 -0.31 0.00 -1.01 0.00 0.00 55.97 56.92 2dks s LYS 121 Cb -0.36 -3.16 -0.07 0.00 -1.01 0.00 0.00 37.83 33.22 2dks s LYS 121 CO 0.40 0.25 1.37 -1.25 0.51 0.00 0.00 175.35 176.63 2dks s PRO 122 N -1.47 4.33 0.08 -1.68 0.04 -1.26 -5.01 135.00 130.03 2dks s PRO 122 Ca 0.45 2.04 -0.24 0.00 0.04 0.00 0.00 61.00 63.28 2dks s PRO 122 Cb -0.30 -3.29 -0.06 0.00 0.04 0.00 0.00 34.50 30.88 2dks s PRO 122 CO 0.38 -0.44 0.73 -1.12 0.04 0.00 0.00 177.00 176.60 2dks s SER 123 N 1.19 7.23 -0.01 6.66 0.01 -1.26 -5.07 113.70 122.45 2dks s SER 123 Ca 0.64 1.46 0.03 0.00 1.31 0.00 0.00 55.95 59.39 2dks s SER 123 Cb -0.36 -2.46 -0.03 0.00 0.21 0.00 0.00 66.02 63.38 2dks s SER 123 CO 0.30 0.10 -0.08 -0.51 0.41 0.00 0.00 173.24 173.46 2dks s ILE 124 N -0.46 3.60 -0.28 1.44 1.10 -1.26 -5.10 121.20 120.23 2dks s ILE 124 Ca 0.36 -0.73 -0.11 0.00 -0.51 0.00 0.00 60.65 59.66 2dks s ILE 124 Cb -0.21 -2.54 -0.04 0.00 0.15 0.00 0.00 42.46 39.82 2dks s ILE 124 CO 0.23 0.44 0.18 -0.44 -2.11 0.00 0.00 174.94 173.24 2dks s SER 125 N -1.28 5.92 0.00 4.50 0.01 -1.26 -4.98 113.70 116.60 2dks s SER 125 Ca 0.16 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.35 2dks s SER 125 Cb -0.11 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.02 2dks s SER 125 CO 0.06 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2dks n GLY 126 N 5.05 3.77 3.70 3.44 0.00 -1.26 -5.11 105.19 114.77 2dks n GLY 126 Ca -0.14 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 2dks n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dks s PRO 127 N -2.73 4.30 1.20 1.61 0.04 -1.26 -5.00 135.00 133.16 2dks s PRO 127 Ca 0.00 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 62.89 2dks s PRO 127 Cb 0.00 -3.42 0.24 0.00 0.04 0.00 0.00 34.50 31.36 2dks s PRO 127 CO 0.00 -0.51 0.50 0.43 0.04 0.00 0.00 177.00 177.47 2dks n SER 128 N 4.68 -2.96 -0.08 6.66 7.64 -1.26 -5.00 113.62 123.30 2dks n SER 128 Ca 0.12 -0.42 -0.08 0.00 1.01 0.00 0.00 58.87 59.50 2dks n SER 128 Cb 0.43 -0.97 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 2dks n SER 128 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dks n SER 129 N -3.27 1.88 0.00 6.43 7.64 -1.26 -5.32 113.62 119.72 2dks n SER 129 Ca 0.06 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.40 2dks n SER 129 Cb 0.52 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 2dks n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64