#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm4 s SER 2 N 0.00 0.95 0.10 1.61 1.04 -1.26 -5.11 113.70 111.04 2dm4 s SER 2 Ca 0.00 -0.78 -0.34 0.00 0.48 0.00 0.00 55.95 55.31 2dm4 s SER 2 Cb 0.00 0.07 -0.14 0.00 0.10 0.00 0.00 66.02 66.06 2dm4 s SER 2 CO 0.00 -0.35 1.62 -0.24 0.98 0.00 0.00 173.24 175.25 2dm4 n SER 3 N 0.70 3.03 0.00 7.02 2.88 -1.26 -4.97 113.62 121.03 2dm4 n SER 3 Ca -0.17 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 2dm4 n SER 3 Cb 0.58 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 2dm4 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm4 n GLY 4 N 3.53 0.45 3.77 0.46 0.00 -1.26 -5.10 105.19 107.04 2dm4 n GLY 4 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2dm4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm4 s SER 5 N -0.96 5.50 -0.76 1.61 0.01 -1.26 -5.04 113.70 112.80 2dm4 s SER 5 Ca 0.00 0.00 -0.26 0.00 1.31 0.00 0.00 55.95 57.00 2dm4 s SER 5 Cb 0.00 -1.48 0.00 0.00 0.21 0.00 0.00 66.02 64.75 2dm4 s SER 5 CO 0.00 0.19 1.60 -0.44 0.41 0.00 0.00 173.24 175.00 2dm4 s SER 6 N -2.27 5.76 0.49 2.44 0.01 -1.26 -4.97 113.70 113.90 2dm4 s SER 6 Ca 0.28 -0.34 -0.23 0.00 1.31 0.00 0.00 55.95 56.97 2dm4 s SER 6 Cb -0.12 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.49 2dm4 s SER 6 CO 0.20 -2.10 1.29 -0.83 0.41 0.00 0.00 173.24 172.21 2dm4 s GLY 7 N 6.03 2.86 0.00 3.44 0.00 -1.26 -4.89 107.32 113.49 2dm4 s GLY 7 Ca 0.53 1.19 0.14 0.00 0.00 0.00 0.00 44.72 46.58 2dm4 s GLY 7 CO 0.11 1.71 1.45 -1.55 0.00 0.00 0.00 173.10 174.82 2dm4 n PRO 8 N -0.65 0.02 -0.32 2.90 -0.04 -1.26 -3.61 135.00 132.03 2dm4 n PRO 8 Ca 0.08 0.24 0.13 0.00 -0.04 0.00 0.00 63.50 63.92 2dm4 n PRO 8 Cb 0.46 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.69 2dm4 n PRO 8 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2dm4 h ASP 9 N 0.00 -0.32 -4.35 3.54 3.32 -1.86 -3.25 116.42 113.50 2dm4 h ASP 9 Ca 0.00 0.25 -0.51 0.00 0.02 0.00 0.00 57.03 56.79 2dm4 h ASP 9 Cb 0.24 0.40 0.08 0.00 0.22 0.00 0.00 39.33 40.27 2dm4 h ASP 9 CO 0.00 -0.28 0.39 0.00 -1.72 0.00 0.00 179.24 177.63 2dm4 s ALA 10 N -5.99 2.84 1.10 3.45 0.00 -1.24 -4.48 121.76 117.43 2dm4 s ALA 10 Ca -0.13 -0.03 -0.15 0.00 0.00 0.00 0.00 51.96 51.65 2dm4 s ALA 10 Cb 0.27 -3.12 0.24 0.00 0.00 0.00 0.00 23.12 20.50 2dm4 s ALA 10 CO 0.77 -1.03 1.10 -1.25 0.00 0.00 0.00 175.76 175.35 2dm4 s PRO 11 N -5.12 -0.37 0.26 0.00 0.04 -1.26 -4.31 135.00 124.24 2dm4 s PRO 11 Ca 0.57 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.85 2dm4 s PRO 11 Cb -0.13 -1.67 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 2dm4 s PRO 11 CO 0.54 -3.21 0.25 1.03 0.04 0.00 0.00 177.00 175.66 2dm4 s ARG 12 N -5.16 1.49 -1.15 4.56 0.52 -0.97 -4.75 118.95 113.48 2dm4 s ARG 12 Ca 0.68 -1.72 -0.01 0.00 -0.52 0.00 0.00 55.73 54.15 2dm4 s ARG 12 Cb -0.15 0.33 -0.02 0.00 0.52 0.00 0.00 34.95 35.63 2dm4 s ARG 12 CO 0.57 -0.54 0.97 0.09 0.02 0.00 0.00 175.30 176.40 2dm4 n ASN 13 N -0.80 -3.12 -4.56 0.23 4.13 -1.26 0.12 115.26 110.00 2dm4 n ASN 13 Ca 0.03 -0.63 -0.40 0.00 1.68 0.00 0.00 54.58 55.26 2dm4 n ASN 13 Cb 0.64 -5.08 -0.03 0.00 -1.54 0.00 0.00 39.78 33.77 2dm4 n ASN 13 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2dm4 s LEU 14 N -6.07 3.27 -0.24 3.41 2.96 -1.26 -3.88 118.68 116.88 2dm4 s LEU 14 Ca 0.11 0.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 2dm4 s LEU 14 Cb -0.01 -2.69 0.04 0.00 0.50 0.00 0.00 46.19 44.03 2dm4 s LEU 14 CO 0.72 -1.99 -0.13 -1.10 -1.32 0.00 0.00 176.35 172.53 2dm4 s GLN 15 N 6.14 2.55 0.59 1.98 -0.21 -0.50 -4.94 119.66 125.27 2dm4 s GLN 15 Ca 0.52 -1.14 -0.04 0.00 0.02 0.00 0.00 55.36 54.71 2dm4 s GLN 15 Cb -0.11 -2.82 0.02 0.00 1.00 0.00 0.00 33.01 31.11 2dm4 s GLN 15 CO 0.20 -0.44 0.88 -0.51 -2.12 0.00 0.00 175.29 173.29 2dm4 s LEU 16 N 1.19 3.20 0.36 2.90 1.02 -1.26 -0.86 118.68 125.23 2dm4 s LEU 16 Ca -0.03 0.49 -0.16 0.00 0.02 0.00 0.00 54.13 54.44 2dm4 s LEU 16 Cb -0.17 -3.29 0.06 0.00 0.02 0.00 0.00 46.19 42.81 2dm4 s LEU 16 CO -0.07 -1.15 0.84 -0.44 0.02 0.00 0.00 176.35 175.56 2dm4 s SER 17 N -4.36 0.03 -0.05 2.29 0.01 0.39 -4.93 113.70 107.09 2dm4 s SER 17 Ca 0.55 -1.10 -0.02 0.00 1.31 0.00 0.00 55.95 56.69 2dm4 s SER 17 Cb -0.10 0.80 0.03 0.00 0.21 0.00 0.00 66.02 66.96 2dm4 s SER 17 CO 0.43 -1.59 0.09 -0.76 0.41 0.00 0.00 173.24 171.82 2dm4 s LEU 18 N -3.16 0.43 -0.56 2.44 1.43 -1.26 -0.52 118.68 117.49 2dm4 s LEU 18 Ca 0.17 0.15 -0.27 0.00 -1.03 0.00 0.00 54.13 53.16 2dm4 s LEU 18 Cb -0.05 0.04 -0.02 0.00 0.03 0.00 0.00 46.19 46.19 2dm4 s LEU 18 CO 0.11 -0.20 1.83 -2.16 0.23 0.00 0.00 176.35 176.15 2dm4 s PRO 19 N 1.75 2.79 0.46 1.29 0.04 -1.26 -4.82 135.00 135.26 2dm4 s PRO 19 Ca -0.01 0.76 0.19 0.00 0.04 0.00 0.00 61.00 61.98 2dm4 s PRO 19 Cb -0.12 -4.34 1.04 0.00 0.04 0.00 0.00 34.50 31.12 2dm4 s PRO 19 CO -0.04 -2.53 1.53 0.07 0.04 0.00 0.00 177.00 176.07 2dm4 h ARG 20 N 14.39 0.00 0.05 4.56 0.11 -1.99 0.53 114.38 132.03 2dm4 h ARG 20 Ca -0.27 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.53 2dm4 h ARG 20 Cb 1.16 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.21 2dm4 h ARG 20 CO 1.18 0.00 -1.48 0.93 0.10 0.00 0.00 179.97 180.70 2dm4 h GLU 21 N 0.00 0.10 -6.28 0.08 5.08 -2.02 -3.47 114.58 108.07 2dm4 h GLU 21 Ca 0.00 -0.17 -0.58 0.00 -1.00 0.00 0.00 59.36 57.61 2dm4 h GLU 21 Cb 0.67 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.88 2dm4 h GLU 21 CO 0.00 0.88 -0.65 0.00 -1.00 0.00 0.00 179.01 178.24 2dm4 s ALA 22 N -2.63 3.20 0.36 3.43 0.00 0.19 -5.14 121.76 121.17 2dm4 s ALA 22 Ca -0.06 -1.49 0.08 0.00 0.00 0.00 0.00 51.96 50.49 2dm4 s ALA 22 Cb 0.08 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 2dm4 s ALA 22 CO 0.83 0.37 0.20 -1.21 0.00 0.00 0.00 175.76 175.95 2dm4 s GLU 23 N -3.31 2.42 -1.84 0.00 2.02 -1.26 -4.49 118.70 112.25 2dm4 s GLU 23 Ca 0.29 -1.55 -0.20 0.00 0.02 0.00 0.00 54.97 53.53 2dm4 s GLU 23 Cb -0.08 -2.22 0.20 0.00 0.10 0.00 0.00 34.13 32.14 2dm4 s GLU 23 CO 0.19 0.03 0.51 0.41 0.02 0.00 0.00 175.26 176.42 2dm4 n GLY 24 N -1.25 -0.36 2.95 -1.39 0.00 -1.26 -4.80 105.19 99.08 2dm4 n GLY 24 Ca -0.02 0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 2dm4 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dm4 s VAL 25 N -3.43 0.48 -0.05 1.61 1.01 -1.26 -1.77 120.40 116.99 2dm4 s VAL 25 Ca 0.71 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.54 2dm4 s VAL 25 Cb -0.41 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 2dm4 s VAL 25 CO 1.03 0.16 -0.24 -0.63 0.00 0.00 0.00 175.10 175.42 2dm4 s ILE 26 N 0.19 1.95 -0.43 2.22 1.01 -0.37 -4.20 121.20 121.57 2dm4 s ILE 26 Ca -0.02 -1.01 -0.06 0.00 0.00 0.00 0.00 60.65 59.56 2dm4 s ILE 26 Cb -0.06 -1.65 0.11 0.00 0.01 0.00 0.00 42.46 40.87 2dm4 s ILE 26 CO -0.00 0.54 0.25 -0.69 0.00 0.00 0.00 174.94 175.04 2dm4 s VAL 27 N -0.14 3.74 -0.23 2.92 1.01 0.33 -0.14 120.40 127.89 2dm4 s VAL 27 Ca -0.03 -1.83 -0.16 0.00 0.00 0.00 0.00 61.98 59.95 2dm4 s VAL 27 Cb -0.13 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2dm4 s VAL 27 CO 0.03 -0.67 0.42 -0.83 0.00 0.00 0.00 175.10 174.06 2dm4 s GLY 28 N 2.14 2.00 0.29 4.51 0.00 -1.05 -0.46 107.32 114.76 2dm4 s GLY 28 Ca 0.06 -0.59 0.09 0.00 0.00 0.00 0.00 44.72 44.27 2dm4 s GLY 28 CO -0.02 0.95 0.08 0.30 0.00 0.00 0.00 173.10 174.41 2dm4 s HIS 29 N 1.68 2.76 0.26 1.90 3.76 -0.04 -2.13 115.29 123.47 2dm4 s HIS 29 Ca 0.19 -0.27 -0.16 0.00 -0.15 0.00 0.00 55.06 54.67 2dm4 s HIS 29 Cb -0.15 -1.39 0.06 0.00 1.11 0.00 0.00 32.58 32.21 2dm4 s HIS 29 CO 0.09 0.50 0.81 -2.67 -0.85 0.00 0.00 174.74 172.62 2dm4 n TRP 30 N -1.03 -1.74 -4.41 1.40 2.14 -0.83 -1.41 117.44 111.56 2dm4 n TRP 30 Ca -0.05 -1.39 -0.21 0.00 2.07 0.00 0.00 57.50 57.91 2dm4 n TRP 30 Cb 0.60 0.69 -0.10 0.00 -0.81 0.00 0.00 31.31 31.68 2dm4 n TRP 30 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2dm4 s ALA 31 N -1.94 2.33 0.46 -1.67 0.00 0.32 -4.82 121.76 116.44 2dm4 s ALA 31 Ca 0.17 -1.79 -0.23 0.00 0.00 0.00 0.00 51.96 50.11 2dm4 s ALA 31 Cb -0.03 -0.08 -0.07 0.00 0.00 0.00 0.00 23.12 22.94 2dm4 s ALA 31 CO 0.08 0.10 1.16 -1.25 0.00 0.00 0.00 175.76 175.85 2dm4 s PRO 32 N -3.62 3.75 0.39 0.00 0.04 -1.26 -2.29 135.00 132.00 2dm4 s PRO 32 Ca 0.26 1.77 -0.26 0.00 0.04 0.00 0.00 61.00 62.81 2dm4 s PRO 32 Cb -0.01 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 32.05 2dm4 s PRO 32 CO 0.11 -0.56 1.20 -1.25 0.04 0.00 0.00 177.00 176.53 2dm4 s PRO 33 N -2.72 4.11 0.40 0.56 0.04 -1.26 -4.65 135.00 131.48 2dm4 s PRO 33 Ca 0.64 1.91 0.10 0.00 0.04 0.00 0.00 61.00 63.70 2dm4 s PRO 33 Cb -0.28 -2.76 0.90 0.00 0.04 0.00 0.00 34.50 32.40 2dm4 s PRO 33 CO 0.34 -0.29 1.96 0.82 0.04 0.00 0.00 177.00 179.87 2dm4 h ILE 34 N 2.46 0.93 -1.93 0.56 2.04 -1.84 -3.44 117.51 116.30 2dm4 h ILE 34 Ca -0.49 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 2dm4 h ILE 34 Cb 1.23 0.32 -0.20 0.00 -0.74 0.00 0.00 36.82 37.43 2dm4 h ILE 34 CO 0.63 0.10 0.24 -1.00 0.00 0.00 0.00 178.15 178.12 2dm4 s HIS 35 N -5.52 -0.62 -0.03 1.37 3.76 -1.26 -5.07 115.29 107.91 2dm4 s HIS 35 Ca -0.09 1.10 -0.04 0.00 -0.15 0.00 0.00 55.06 55.88 2dm4 s HIS 35 Cb 0.20 0.41 0.01 0.00 1.11 0.00 0.00 32.58 34.30 2dm4 s HIS 35 CO 0.76 -0.56 0.11 0.95 -0.85 0.00 0.00 174.74 175.16 2dm4 s THR 36 N -1.08 0.02 0.24 1.30 -4.23 -1.26 -2.73 115.64 107.90 2dm4 s THR 36 Ca -0.09 -0.17 -0.13 0.00 -1.18 0.00 0.00 61.69 60.12 2dm4 s THR 36 Cb -0.00 -0.22 0.32 0.00 1.34 0.00 0.00 72.50 73.94 2dm4 s THR 36 CO 0.08 -0.09 1.50 1.41 -0.54 0.00 0.00 174.62 176.98 2dm4 n HIS 37 N 2.68 0.16 -4.22 3.99 8.25 -1.26 -4.66 115.22 120.16 2dm4 n HIS 37 Ca -0.15 1.19 -0.13 0.00 -0.26 0.00 0.00 57.72 58.37 2dm4 n HIS 37 Cb 0.58 -0.95 -0.10 0.00 1.12 0.00 0.00 29.99 30.65 2dm4 n HIS 37 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2dm4 s GLY 38 N -3.84 1.45 0.14 -1.41 0.00 -1.26 -5.08 107.32 97.32 2dm4 s GLY 38 Ca -0.14 -1.71 -0.33 0.00 0.00 0.00 0.00 44.72 42.54 2dm4 s GLY 38 CO 0.72 -1.45 0.96 -0.10 0.00 0.00 0.00 173.10 173.23 2dm4 n LEU 39 N -0.29 0.40 -4.64 0.66 0.00 -1.26 -4.62 117.00 107.25 2dm4 n LEU 39 Ca 0.00 1.15 -0.43 0.00 0.00 0.00 0.00 56.01 56.73 2dm4 n LEU 39 Cb 0.66 -1.07 -0.02 0.00 0.00 0.00 0.00 43.42 42.98 2dm4 n LEU 39 CO 0.34 -1.91 0.92 -0.63 0.00 0.00 0.00 177.39 176.11 2dm4 s ILE 40 N -0.39 4.55 -0.05 1.96 1.01 -1.26 -3.57 121.20 123.44 2dm4 s ILE 40 Ca 0.75 1.71 -0.24 0.00 0.00 0.00 0.00 60.65 62.87 2dm4 s ILE 40 Cb -0.97 -4.38 -0.23 0.00 0.01 0.00 0.00 42.46 36.88 2dm4 s ILE 40 CO 0.55 -0.44 1.04 0.03 0.00 0.00 0.00 174.94 176.12 2dm4 h ARG 41 N 8.04 0.17 -2.65 2.79 3.08 -1.80 -3.49 114.38 120.52 2dm4 h ARG 41 Ca -0.21 -0.18 0.12 0.00 0.07 0.00 0.00 59.98 59.78 2dm4 h ARG 41 Cb 1.06 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.14 2dm4 h ARG 41 CO 1.02 0.91 0.50 -1.83 -1.07 0.00 0.00 179.97 179.50 2dm4 s GLU 42 N -3.17 1.54 -0.13 0.04 -1.05 -1.26 -5.05 118.70 109.63 2dm4 s GLU 42 Ca -0.16 -0.99 0.03 0.00 -0.15 0.00 0.00 54.97 53.70 2dm4 s GLU 42 Cb 0.01 0.43 0.01 0.00 -0.44 0.00 0.00 34.13 34.14 2dm4 s GLU 42 CO 0.74 -0.72 -0.21 0.71 0.95 0.00 0.00 175.26 176.72 2dm4 s TYR 43 N -2.25 2.53 0.09 4.83 2.02 -1.15 -1.73 117.35 121.69 2dm4 s TYR 43 Ca 0.20 -1.21 -0.10 0.00 -0.37 0.00 0.00 57.07 55.59 2dm4 s TYR 43 Cb -0.03 -1.73 -0.06 0.00 -0.40 0.00 0.00 41.96 39.74 2dm4 s TYR 43 CO 0.07 -0.55 0.42 -1.50 -1.57 0.00 0.00 175.55 172.42 2dm4 s ILE 44 N 0.73 5.07 -0.14 2.71 2.07 -0.80 -1.07 121.20 129.76 2dm4 s ILE 44 Ca -0.10 0.48 -0.00 0.00 -1.41 0.00 0.00 60.65 59.62 2dm4 s ILE 44 Cb -0.16 -3.65 0.03 0.00 0.13 0.00 0.00 42.46 38.80 2dm4 s ILE 44 CO 0.01 0.26 -0.10 0.68 -1.91 0.00 0.00 174.94 173.88 2dm4 s VAL 45 N -1.43 1.28 -0.17 4.00 -7.23 -0.78 -1.54 120.40 114.54 2dm4 s VAL 45 Ca 0.34 -0.53 -0.04 0.00 -1.81 0.00 0.00 61.98 59.94 2dm4 s VAL 45 Cb -0.14 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 2dm4 s VAL 45 CO 0.19 0.34 -0.02 -1.61 -0.31 0.00 0.00 175.10 173.69 2dm4 s GLU 46 N 1.59 3.69 0.06 4.82 2.02 0.64 -2.49 118.70 129.03 2dm4 s GLU 46 Ca 0.04 -0.50 0.04 0.00 0.02 0.00 0.00 54.97 54.57 2dm4 s GLU 46 Cb -0.13 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.10 2dm4 s GLU 46 CO -0.09 0.20 -0.13 1.52 0.02 0.00 0.00 175.26 176.78 2dm4 s TYR 47 N 0.49 1.09 -0.07 1.61 1.13 -1.04 0.25 117.35 120.82 2dm4 s TYR 47 Ca -0.02 -0.44 -0.23 0.00 -1.41 0.00 0.00 57.07 54.97 2dm4 s TYR 47 Cb -0.14 -0.63 0.05 0.00 -1.10 0.00 0.00 41.96 40.14 2dm4 s TYR 47 CO 0.02 0.02 0.53 0.45 -2.51 0.00 0.00 175.55 174.07 2dm4 s SER 48 N -1.54 -0.48 -0.08 -0.18 0.15 -0.56 -1.48 113.70 109.52 2dm4 s SER 48 Ca -0.03 0.57 -0.30 0.00 0.70 0.00 0.00 55.95 56.90 2dm4 s SER 48 Cb -0.09 0.57 -0.03 0.00 -1.71 0.00 0.00 66.02 64.76 2dm4 s SER 48 CO 0.02 -0.48 1.23 -0.60 1.20 0.00 0.00 173.24 174.60 2dm4 s ARG 49 N -0.97 4.32 -0.82 5.44 3.52 -1.26 -1.57 118.95 127.60 2dm4 s ARG 49 Ca -0.10 1.68 -0.17 0.00 -0.13 0.00 0.00 55.73 57.01 2dm4 s ARG 49 Cb -0.03 -3.62 -0.21 0.00 -1.56 0.00 0.00 34.95 29.54 2dm4 s ARG 49 CO 0.06 -0.52 2.15 0.45 -0.81 0.00 0.00 175.30 176.63 2dm4 n SER 50 N 5.60 0.19 0.00 -2.12 2.88 -1.08 -2.13 113.62 116.95 2dm4 n SER 50 Ca 0.12 -1.26 0.00 0.00 -1.33 0.00 0.00 58.87 56.40 2dm4 n SER 50 Cb 0.46 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 2dm4 n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm4 n GLY 51 N 6.03 0.23 3.55 0.46 0.00 -1.26 -4.99 105.19 109.21 2dm4 n GLY 51 Ca 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 2dm4 n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm4 s SER 52 N -0.32 -0.46 -0.42 1.61 0.01 -0.91 -5.04 113.70 108.17 2dm4 s SER 52 Ca 0.00 0.44 0.01 0.00 1.31 0.00 0.00 55.95 57.71 2dm4 s SER 52 Cb 0.00 0.39 0.42 0.00 0.21 0.00 0.00 66.02 67.05 2dm4 s SER 52 CO 0.00 -0.48 1.86 0.29 0.41 0.00 0.00 173.24 175.33 2dm4 n LYS 53 N 0.63 2.11 -4.36 12.44 4.76 -1.26 -4.77 118.16 127.72 2dm4 n LYS 53 Ca -0.13 -2.39 -0.33 0.00 -2.87 0.00 0.00 58.31 52.59 2dm4 n LYS 53 Cb 0.58 -1.94 -0.15 0.00 -1.84 0.00 0.00 35.03 31.68 2dm4 n LYS 53 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2dm4 s MET 54 N -2.70 3.15 -0.09 1.97 -2.45 -1.26 -5.10 119.30 112.82 2dm4 s MET 54 Ca 0.46 -0.77 0.01 0.00 -1.25 0.00 0.00 55.69 54.14 2dm4 s MET 54 Cb 0.38 -2.64 0.02 0.00 1.25 0.00 0.00 34.83 33.84 2dm4 s MET 54 CO 0.04 -0.08 -0.08 -1.58 1.05 0.00 0.00 175.02 174.37 2dm4 s TRP 55 N 1.03 1.32 -0.27 4.11 0.52 -1.26 -4.33 118.94 120.06 2dm4 s TRP 55 Ca -0.01 -0.56 -0.12 0.00 0.02 0.00 0.00 56.10 55.42 2dm4 s TRP 55 Cb -0.15 -1.08 -0.05 0.00 -1.15 0.00 0.00 33.47 31.05 2dm4 s TRP 55 CO -0.04 -0.38 0.24 0.00 0.02 0.00 0.00 176.95 176.79 2dm4 s ALA 56 N 1.30 3.55 -0.05 0.98 0.00 -0.55 -4.87 121.76 122.12 2dm4 s ALA 56 Ca -0.03 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 2dm4 s ALA 56 Cb -0.14 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 2dm4 s ALA 56 CO -0.03 -0.53 0.04 -1.54 0.00 0.00 0.00 175.76 173.70 2dm4 s SER 57 N 1.63 5.48 0.10 0.00 1.04 -1.26 -2.48 113.70 118.21 2dm4 s SER 57 Ca 0.10 0.16 -0.06 0.00 0.48 0.00 0.00 55.95 56.62 2dm4 s SER 57 Cb -0.16 -1.57 -0.02 0.00 0.10 0.00 0.00 66.02 64.38 2dm4 s SER 57 CO 0.10 0.33 0.14 0.00 0.98 0.00 0.00 173.24 174.79 2dm4 s GLN 58 N -1.29 0.86 0.05 4.02 -2.07 -1.04 -4.96 119.66 115.24 2dm4 s GLN 58 Ca 0.18 -1.12 -0.17 0.00 -1.82 0.00 0.00 55.36 52.43 2dm4 s GLN 58 Cb -0.12 0.31 -0.06 0.00 -1.09 0.00 0.00 33.01 32.05 2dm4 s GLN 58 CO 0.07 -0.26 0.50 1.03 -1.32 0.00 0.00 175.29 175.31 2dm4 s ARG 59 N -3.92 4.05 -0.10 9.60 1.81 -1.26 -1.86 118.95 127.27 2dm4 s ARG 59 Ca 0.10 0.57 0.00 0.00 -1.72 0.00 0.00 55.73 54.69 2dm4 s ARG 59 Cb 0.06 -3.20 0.02 0.00 -0.45 0.00 0.00 34.95 31.38 2dm4 s ARG 59 CO -0.07 0.65 -0.10 0.00 -0.68 0.00 0.00 175.30 175.10 2dm4 s ALA 60 N -1.13 1.38 0.01 2.13 0.00 -0.23 -4.98 121.76 118.93 2dm4 s ALA 60 Ca 0.28 -0.56 -0.25 0.00 0.00 0.00 0.00 51.96 51.43 2dm4 s ALA 60 Cb -0.18 -0.83 -0.17 0.00 0.00 0.00 0.00 23.12 21.94 2dm4 s ALA 60 CO 0.17 -0.26 1.26 0.00 0.00 0.00 0.00 175.76 176.93 2dm4 h ALA 61 N 7.82 -0.29 -4.98 0.00 0.00 -1.86 -3.05 119.26 116.91 2dm4 h ALA 61 Ca -0.31 -0.18 -0.44 0.00 0.00 0.00 0.00 54.91 53.98 2dm4 h ALA 61 Cb 1.15 0.11 0.11 0.00 0.00 0.00 0.00 17.79 19.16 2dm4 h ALA 61 CO 0.44 -0.49 0.21 0.43 0.00 0.00 0.00 179.25 179.84 2dm4 n SER 62 N -5.06 0.93 -1.89 0.00 7.64 -1.26 -4.82 113.62 109.15 2dm4 n SER 62 Ca -0.09 -1.90 -0.10 0.00 1.01 0.00 0.00 58.87 57.78 2dm4 n SER 62 Cb 0.24 -0.74 -0.09 0.00 -1.01 0.00 0.00 64.21 62.61 2dm4 n SER 62 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2dm4 n ASN 63 N -3.20 5.50 -3.66 6.43 4.13 -1.26 -4.80 115.26 118.40 2dm4 n ASN 63 Ca 0.16 -2.58 0.00 0.00 1.68 0.00 0.00 54.58 53.84 2dm4 n ASN 63 Cb 0.57 -1.28 -0.01 0.00 -1.54 0.00 0.00 39.78 37.52 2dm4 n ASN 63 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2dm4 s PHE 64 N 0.19 -0.06 0.31 3.10 -0.71 -1.26 -1.96 117.98 117.58 2dm4 s PHE 64 Ca 0.43 -0.10 -0.18 0.00 -1.04 0.00 0.00 56.93 56.03 2dm4 s PHE 64 Cb 0.22 0.58 0.03 0.00 -1.21 0.00 0.00 43.02 42.64 2dm4 s PHE 64 CO -0.02 -0.45 0.71 -0.08 -1.34 0.00 0.00 175.22 174.04 2dm4 s THR 65 N -2.67 0.00 -0.29 -4.49 -1.32 -0.90 -4.69 115.64 101.28 2dm4 s THR 65 Ca 0.14 -1.06 -0.01 0.00 -1.21 0.00 0.00 61.69 59.55 2dm4 s THR 65 Cb 0.03 -2.28 0.09 0.00 -1.51 0.00 0.00 72.50 68.83 2dm4 s THR 65 CO -0.02 0.00 0.08 -1.61 -2.21 0.00 0.00 174.62 170.86 2dm4 s GLU 66 N -3.47 0.83 -0.68 7.08 2.02 -1.26 -2.53 118.70 120.70 2dm4 s GLU 66 Ca 0.14 -1.06 -0.26 0.00 0.02 0.00 0.00 54.97 53.81 2dm4 s GLU 66 Cb -0.05 -2.14 0.04 0.00 0.10 0.00 0.00 34.13 32.08 2dm4 s GLU 66 CO 0.09 -0.92 1.16 0.42 0.02 0.00 0.00 175.26 176.03 2dm4 s ILE 67 N 1.57 3.97 0.46 -1.63 1.01 0.80 -4.85 121.20 122.53 2dm4 s ILE 67 Ca 0.08 0.29 0.01 0.00 0.00 0.00 0.00 60.65 61.03 2dm4 s ILE 67 Cb -0.17 -4.80 0.09 0.00 0.01 0.00 0.00 42.46 37.58 2dm4 s ILE 67 CO -0.21 -1.62 0.64 0.29 0.00 0.00 0.00 174.94 174.04 2dm4 n LYS 68 N 8.67 0.26 -3.21 2.79 5.02 -1.26 -1.23 118.16 129.19 2dm4 n LYS 68 Ca 0.02 -1.86 -0.14 0.00 -2.02 0.00 0.00 58.31 54.30 2dm4 n LYS 68 Cb 0.48 -0.38 0.08 0.00 -0.02 0.00 0.00 35.03 35.18 2dm4 n LYS 68 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2dm4 n ASN 69 N -2.86 -2.13 -4.68 4.39 3.02 -1.16 -4.94 115.26 106.91 2dm4 n ASN 69 Ca 0.11 -0.53 -0.28 0.00 -0.03 0.00 0.00 54.58 53.85 2dm4 n ASN 69 Cb 0.39 -4.44 -0.09 0.00 -0.61 0.00 0.00 39.78 35.03 2dm4 n ASN 69 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dm4 s LEU 70 N -5.70 2.84 -0.24 3.41 1.43 -0.73 -5.07 118.68 114.63 2dm4 s LEU 70 Ca 0.01 -1.34 -0.09 0.00 -1.03 0.00 0.00 54.13 51.68 2dm4 s LEU 70 Cb -0.00 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 2dm4 s LEU 70 CO 0.62 -0.55 0.11 -0.76 0.23 0.00 0.00 176.35 176.00 2dm4 s LEU 71 N -3.79 3.75 0.49 1.79 1.43 -1.26 -4.51 118.68 116.57 2dm4 s LEU 71 Ca 0.32 -0.05 -0.22 0.00 -1.03 0.00 0.00 54.13 53.15 2dm4 s LEU 71 Cb 0.07 -2.00 -0.08 0.00 0.03 0.00 0.00 46.19 44.21 2dm4 s LEU 71 CO 0.17 0.03 1.05 1.33 0.23 0.00 0.00 176.35 179.16 2dm4 n VAL 72 N 4.51 2.92 -3.61 -1.59 0.24 -1.26 -2.68 118.33 116.86 2dm4 n VAL 72 Ca -0.16 -0.50 -0.21 0.00 -2.04 0.00 0.00 64.34 61.44 2dm4 n VAL 72 Cb 0.52 -1.25 0.06 0.00 -1.47 0.00 0.00 33.84 31.70 2dm4 n VAL 72 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2dm4 n ASN 73 N -0.03 -2.28 -3.87 -1.34 3.02 -1.00 -4.84 115.26 104.91 2dm4 n ASN 73 Ca 0.10 -0.72 -0.15 0.00 -0.03 0.00 0.00 54.58 53.79 2dm4 n ASN 73 Cb 0.42 -4.53 -0.15 0.00 -0.61 0.00 0.00 39.78 34.92 2dm4 n ASN 73 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2dm4 s THR 74 N -3.49 0.16 0.07 3.41 2.01 -1.09 -4.87 115.64 111.84 2dm4 s THR 74 Ca 0.11 -0.03 -0.31 0.00 0.31 0.00 0.00 61.69 61.78 2dm4 s THR 74 Cb -0.05 -0.18 -0.06 0.00 0.01 0.00 0.00 72.50 72.21 2dm4 s THR 74 CO 0.78 0.08 1.26 -0.22 -0.69 0.00 0.00 174.62 175.82 2dm4 s LEU 75 N 0.31 4.37 -0.05 4.42 1.98 -1.26 -2.02 118.68 126.43 2dm4 s LEU 75 Ca -0.03 2.10 0.01 0.00 -2.89 0.00 0.00 54.13 53.33 2dm4 s LEU 75 Cb -0.05 -3.58 0.02 0.00 0.66 0.00 0.00 46.19 43.24 2dm4 s LEU 75 CO -0.01 -0.53 -0.07 -0.31 -1.89 0.00 0.00 176.35 173.54 2dm4 s TYR 76 N 1.16 0.98 -0.28 5.38 2.02 -0.20 -2.64 117.35 123.76 2dm4 s TYR 76 Ca 0.60 -0.32 -0.09 0.00 -0.37 0.00 0.00 57.07 56.89 2dm4 s TYR 76 Cb -0.31 -0.80 -0.03 0.00 -0.40 0.00 0.00 41.96 40.41 2dm4 s TYR 76 CO 0.29 -0.23 0.14 0.99 -1.57 0.00 0.00 175.55 175.17 2dm4 s THR 77 N 0.90 4.73 0.17 -0.71 2.01 -0.61 -1.71 115.64 120.42 2dm4 s THR 77 Ca -0.11 -0.15 0.09 0.00 0.31 0.00 0.00 61.69 61.83 2dm4 s THR 77 Cb -0.15 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 2dm4 s THR 77 CO 0.01 0.21 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.35 2dm4 s VAL 78 N 1.66 3.10 -0.07 3.82 1.01 -0.55 -1.50 120.40 127.87 2dm4 s VAL 78 Ca 0.06 -1.65 -0.08 0.00 0.00 0.00 0.00 61.98 60.31 2dm4 s VAL 78 Cb -0.16 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.72 2dm4 s VAL 78 CO 0.07 -0.08 0.22 0.00 0.00 0.00 0.00 175.10 175.32 2dm4 s ARG 79 N -2.71 0.33 0.04 2.72 1.70 0.14 -1.47 118.95 119.70 2dm4 s ARG 79 Ca 0.24 0.18 0.07 0.00 -0.47 0.00 0.00 55.73 55.74 2dm4 s ARG 79 Cb -0.09 0.15 -0.03 0.00 -0.57 0.00 0.00 34.95 34.41 2dm4 s ARG 79 CO 0.14 -0.06 -0.17 0.08 -1.08 0.00 0.00 175.30 174.22 2dm4 s VAL 80 N -0.20 2.90 -0.03 4.99 1.01 -1.26 -0.26 120.40 127.54 2dm4 s VAL 80 Ca -0.03 -1.17 -0.02 0.00 0.00 0.00 0.00 61.98 60.76 2dm4 s VAL 80 Cb -0.03 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.13 2dm4 s VAL 80 CO 0.01 0.32 0.07 0.00 0.00 0.00 0.00 175.10 175.50 2dm4 s ALA 81 N -0.96 -0.12 -0.10 5.51 0.00 -0.59 -0.38 121.76 125.13 2dm4 s ALA 81 Ca 0.15 0.31 -0.30 0.00 0.00 0.00 0.00 51.96 52.13 2dm4 s ALA 81 Cb -0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 2dm4 s ALA 81 CO 0.06 -0.08 1.02 0.00 0.00 0.00 0.00 175.76 176.77 2dm4 s ALA 82 N 0.53 3.41 -0.05 0.00 0.00 -1.26 -1.90 121.76 122.49 2dm4 s ALA 82 Ca -0.04 0.40 -0.10 0.00 0.00 0.00 0.00 51.96 52.22 2dm4 s ALA 82 Cb -0.06 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 2dm4 s ALA 82 CO -0.02 -0.61 0.26 0.08 0.00 0.00 0.00 175.76 175.46 2dm4 s VAL 83 N 2.02 5.30 0.40 0.00 1.01 -0.71 -3.32 120.40 125.10 2dm4 s VAL 83 Ca 0.49 0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.93 2dm4 s VAL 83 Cb -0.19 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2dm4 s VAL 83 CO 0.18 0.56 0.07 0.42 0.00 0.00 0.00 175.10 176.33 2dm4 s THR 84 N -1.10 1.03 0.30 3.92 -4.23 -0.67 -2.40 115.64 112.49 2dm4 s THR 84 Ca 0.21 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.70 2dm4 s THR 84 Cb -0.14 -2.53 0.43 0.00 1.34 0.00 0.00 72.50 71.60 2dm4 s THR 84 CO 0.10 0.00 1.57 0.77 -0.54 0.00 0.00 174.62 176.51 2dm4 h SER 85 N 1.82 -0.63 0.00 3.99 4.64 -1.82 -2.23 113.55 119.33 2dm4 h SER 85 Ca -0.40 0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2dm4 h SER 85 Cb 1.27 0.53 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 2dm4 h SER 85 CO 0.67 -0.35 0.00 -1.14 -0.87 0.00 0.00 176.83 175.14 2dm4 n ARG 86 N -5.54 0.00 0.00 4.77 0.63 -1.26 -5.05 116.66 110.21 2dm4 n ARG 86 Ca 0.21 0.45 0.00 0.00 -0.92 0.00 0.00 57.85 57.59 2dm4 n ARG 86 Cb 0.68 -1.35 0.00 0.00 0.45 0.00 0.00 32.46 32.24 2dm4 n ARG 86 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2dm4 n GLY 87 N -0.35 1.30 3.78 5.14 0.00 -0.84 -5.15 105.19 109.07 2dm4 n GLY 87 Ca 0.00 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 2dm4 n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dm4 s ILE 88 N -1.57 3.87 0.00 -0.61 1.01 -1.26 -1.67 121.20 120.97 2dm4 s ILE 88 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.21 2dm4 s ILE 88 Cb 0.00 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.60 2dm4 s ILE 88 CO 0.00 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.69 2dm4 n GLY 89 N 0.62 3.55 3.70 6.18 0.00 -1.21 -4.98 105.19 113.05 2dm4 n GLY 89 Ca 0.03 -1.78 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 2dm4 n GLY 89 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dm4 s ASN 90 N 0.03 3.52 -0.17 1.61 0.01 -1.26 -4.91 114.94 113.76 2dm4 s ASN 90 Ca 0.00 2.15 -0.08 0.00 -0.71 0.00 0.00 52.86 54.22 2dm4 s ASN 90 Cb 0.00 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 2dm4 s ASN 90 CO 0.00 -2.71 0.10 0.26 -1.51 0.00 0.00 177.10 173.24 2dm4 s TRP 91 N -2.57 3.38 1.23 2.20 0.52 -1.26 -4.39 118.94 118.06 2dm4 s TRP 91 Ca 0.67 0.28 -0.15 0.00 0.02 0.00 0.00 56.10 56.92 2dm4 s TRP 91 Cb -0.23 -2.06 0.29 0.00 -1.15 0.00 0.00 33.47 30.32 2dm4 s TRP 91 CO 0.55 0.36 0.84 -1.13 0.02 0.00 0.00 176.95 177.59 2dm4 n SER 92 N 3.08 -2.34 -4.57 2.95 3.41 0.49 -4.77 113.62 111.87 2dm4 n SER 92 Ca -0.17 -0.31 -0.25 0.00 -0.26 0.00 0.00 58.87 57.88 2dm4 n SER 92 Cb 0.53 -1.16 -0.06 0.00 -0.26 0.00 0.00 64.21 63.26 2dm4 n SER 92 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2dm4 s ASP 93 N -2.39 4.83 0.42 4.04 1.11 -1.26 -4.70 116.67 118.72 2dm4 s ASP 93 Ca 0.66 -0.99 -0.14 0.00 0.18 0.00 0.00 52.55 52.26 2dm4 s ASP 93 Cb -0.22 -2.57 -0.11 0.00 1.07 0.00 0.00 42.92 41.09 2dm4 s ASP 93 CO 0.64 -3.16 -0.15 -1.54 1.18 0.00 0.00 175.17 172.14 2dm4 n SER 94 N 15.09 -2.99 -4.00 0.27 3.41 -1.26 -4.91 113.62 119.23 2dm4 n SER 94 Ca 0.43 0.46 -0.13 0.00 -0.26 0.00 0.00 58.87 59.36 2dm4 n SER 94 Cb 0.46 -0.64 -0.13 0.00 -0.26 0.00 0.00 64.21 63.65 2dm4 n SER 94 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2dm4 s LYS 95 N -0.85 0.42 0.12 4.33 -0.14 -0.54 -4.98 119.74 118.10 2dm4 s LYS 95 Ca 0.42 -0.47 0.04 0.00 -1.36 0.00 0.00 55.97 54.59 2dm4 s LYS 95 Cb -0.35 -0.26 -0.04 0.00 -1.68 0.00 0.00 37.83 35.50 2dm4 s LYS 95 CO 0.52 0.06 0.12 -1.54 -0.76 0.00 0.00 175.35 173.74 2dm4 s SER 96 N -0.91 5.60 -0.23 2.83 1.04 -1.26 -1.48 113.70 119.29 2dm4 s SER 96 Ca -0.06 -0.04 -0.16 0.00 0.48 0.00 0.00 55.95 56.17 2dm4 s SER 96 Cb -0.06 -1.50 0.07 0.00 0.10 0.00 0.00 66.02 64.62 2dm4 s SER 96 CO -0.00 0.12 0.58 -0.51 0.98 0.00 0.00 173.24 174.40 2dm4 s ILE 97 N -1.58 -0.01 -0.56 -1.02 2.07 -0.69 -4.95 121.20 114.47 2dm4 s ILE 97 Ca 0.30 0.02 -0.18 0.00 -1.41 0.00 0.00 60.65 59.39 2dm4 s ILE 97 Cb -0.11 -0.82 0.09 0.00 0.13 0.00 0.00 42.46 41.75 2dm4 s ILE 97 CO 0.23 0.01 0.64 -0.89 -1.91 0.00 0.00 174.94 173.02 2dm4 s THR 98 N 1.04 4.91 1.04 4.00 2.01 -1.26 -1.03 115.64 126.36 2dm4 s THR 98 Ca -0.06 -0.95 -0.20 0.00 0.31 0.00 0.00 61.69 60.79 2dm4 s THR 98 Cb -0.06 -4.40 0.01 0.00 0.01 0.00 0.00 72.50 68.07 2dm4 s THR 98 CO -0.10 -0.98 -0.48 0.35 -0.69 0.00 0.00 174.62 172.73 2dm4 n THR 99 N 5.50 0.00 -4.30 -0.82 -2.24 -0.85 -4.73 114.28 106.83 2dm4 n THR 99 Ca -0.10 -0.15 -0.19 0.00 -2.27 0.00 0.00 64.05 61.34 2dm4 n THR 99 Cb 0.43 -0.36 -0.13 0.00 -2.10 0.00 0.00 70.33 68.16 2dm4 n THR 99 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2dm4 s ILE 100 N -2.12 0.96 -1.38 2.28 -4.36 -1.26 -2.39 121.20 112.93 2dm4 s ILE 100 Ca 0.44 -0.93 -0.09 0.00 -0.26 0.00 0.00 60.65 59.82 2dm4 s ILE 100 Cb -0.03 -0.88 0.09 0.00 1.25 0.00 0.00 42.46 42.89 2dm4 s ILE 100 CO 0.59 -0.03 2.27 1.17 0.24 0.00 0.00 174.94 179.18 2dm4 n LYS 101 N 1.96 3.82 0.00 0.37 4.81 -1.26 -4.46 118.16 123.40 2dm4 n LYS 101 Ca -0.18 -3.14 0.00 0.00 -0.87 0.00 0.00 58.31 54.12 2dm4 n LYS 101 Cb 0.55 -2.87 0.00 0.00 0.02 0.00 0.00 35.03 32.73 2dm4 n LYS 101 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dm4 n GLY 102 N 2.79 0.63 3.74 3.14 0.00 -1.26 -4.38 105.19 109.85 2dm4 n GLY 102 Ca 0.55 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 2dm4 n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm4 s SER 103 N -2.85 6.30 0.00 1.61 1.04 -1.26 -4.94 113.70 113.60 2dm4 s SER 103 Ca 0.00 0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.77 2dm4 s SER 103 Cb 0.00 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 64.00 2dm4 s SER 103 CO 0.00 0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.01 2dm4 n GLY 104 N 3.33 -0.82 3.77 7.32 0.00 -1.26 -5.13 105.19 112.39 2dm4 n GLY 104 Ca -0.15 0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2dm4 n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm4 s PRO 105 N -0.20 3.46 -0.08 1.61 0.04 -1.26 -4.99 135.00 133.58 2dm4 s PRO 105 Ca 0.00 1.65 -0.26 0.00 0.04 0.00 0.00 61.00 62.43 2dm4 s PRO 105 Cb 0.00 -2.11 -0.26 0.00 0.04 0.00 0.00 34.50 32.17 2dm4 s PRO 105 CO 0.00 -0.77 0.91 0.77 0.04 0.00 0.00 177.00 177.95 2dm4 h SER 106 N 1.42 0.17 -3.21 6.66 0.02 -2.04 -3.44 113.55 113.13 2dm4 h SER 106 Ca -0.50 -0.88 -0.51 0.00 -0.84 0.00 0.00 61.79 59.06 2dm4 h SER 106 Cb 1.26 -0.05 -0.40 0.00 0.14 0.00 0.00 62.40 63.34 2dm4 h SER 106 CO 0.58 1.03 -0.76 -0.44 -1.14 0.00 0.00 176.83 176.10 2dm4 s SER 107 N -6.36 2.86 0.00 3.07 0.01 -1.26 -5.28 113.70 106.74 2dm4 s SER 107 Ca -0.17 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.27 2dm4 s SER 107 Cb -0.01 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.69 2dm4 s SER 107 CO 0.73 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.67