#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm4 h SER 2 N 0.00 0.09 -2.20 1.61 0.02 -2.08 -3.42 113.55 107.56 2dm4 h SER 2 Ca 0.00 -0.75 -0.54 0.00 -0.84 0.00 0.00 61.79 59.66 2dm4 h SER 2 Cb 0.00 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 62.43 2dm4 h SER 2 CO 0.00 1.36 1.12 -0.55 -1.14 0.00 0.00 176.83 177.62 2dm4 s SER 3 N -6.69 6.12 0.00 3.07 0.15 -1.26 -4.49 113.70 110.60 2dm4 s SER 3 Ca -0.24 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 55.93 2dm4 s SER 3 Cb 0.03 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2dm4 s SER 3 CO 0.66 -1.86 0.00 0.61 1.20 0.00 0.00 173.24 173.86 2dm4 n GLY 4 N 5.55 -2.29 3.04 9.45 0.00 -1.26 -5.05 105.19 114.63 2dm4 n GLY 4 Ca 0.07 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 2dm4 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm4 s SER 5 N 0.00 4.49 -0.14 1.61 0.15 -1.26 -4.63 113.70 113.92 2dm4 s SER 5 Ca 0.00 -1.60 -0.29 0.00 0.70 0.00 0.00 55.95 54.76 2dm4 s SER 5 Cb 0.00 -1.53 -0.06 0.00 -1.71 0.00 0.00 66.02 62.72 2dm4 s SER 5 CO 0.00 -0.25 2.02 -0.94 1.20 0.00 0.00 173.24 175.27 2dm4 s SER 6 N 1.07 5.95 0.37 5.45 1.04 -1.26 -4.97 113.70 121.35 2dm4 s SER 6 Ca -0.03 2.09 0.07 0.00 0.48 0.00 0.00 55.95 58.57 2dm4 s SER 6 Cb -0.20 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.40 2dm4 s SER 6 CO -0.06 -1.54 0.47 -0.83 0.98 0.00 0.00 173.24 172.26 2dm4 s GLY 7 N 6.27 1.79 0.16 7.32 0.00 -1.26 -5.00 107.32 116.60 2dm4 s GLY 7 Ca 0.91 -1.60 0.20 0.00 0.00 0.00 0.00 44.72 44.23 2dm4 s GLY 7 CO 0.36 -1.47 1.61 -1.55 0.00 0.00 0.00 173.10 172.05 2dm4 n PRO 8 N -1.66 0.12 -0.34 2.90 -0.04 -1.26 -3.34 135.00 131.38 2dm4 n PRO 8 Ca 0.03 0.36 0.18 0.00 -0.04 0.00 0.00 63.50 64.03 2dm4 n PRO 8 Cb 0.59 -1.73 0.39 0.00 -0.04 0.00 0.00 33.50 32.71 2dm4 n PRO 8 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2dm4 h ASP 9 N 0.00 0.64 -4.36 3.54 1.82 -1.92 -3.19 116.42 112.94 2dm4 h ASP 9 Ca 0.00 0.15 -0.51 0.00 -0.39 0.00 0.00 57.03 56.28 2dm4 h ASP 9 Cb 0.32 0.05 0.07 0.00 0.68 0.00 0.00 39.33 40.45 2dm4 h ASP 9 CO 0.00 0.07 0.40 0.00 -1.61 0.00 0.00 179.24 178.10 2dm4 s ALA 10 N -5.77 2.95 1.23 -0.78 0.00 -1.21 -4.49 121.76 113.70 2dm4 s ALA 10 Ca -0.11 -0.05 -0.19 0.00 0.00 0.00 0.00 51.96 51.62 2dm4 s ALA 10 Cb 0.27 -3.11 0.28 0.00 0.00 0.00 0.00 23.12 20.57 2dm4 s ALA 10 CO 0.79 -0.88 1.00 -0.35 0.00 0.00 0.00 175.76 176.33 2dm4 n PRO 11 N -2.89 -2.98 -3.85 0.00 -0.04 -1.26 -4.29 135.00 119.69 2dm4 n PRO 11 Ca 0.07 -1.61 -0.09 0.00 -0.04 0.00 0.00 63.50 61.82 2dm4 n PRO 11 Cb 0.54 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 2dm4 n PRO 11 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dm4 s ARG 12 N -5.28 1.09 -0.43 0.54 0.52 -1.04 -4.69 118.95 109.65 2dm4 s ARG 12 Ca 0.65 -0.99 -0.01 0.00 -0.52 0.00 0.00 55.73 54.86 2dm4 s ARG 12 Cb -0.06 0.40 0.00 0.00 0.52 0.00 0.00 34.95 35.81 2dm4 s ARG 12 CO 0.50 -0.40 0.37 -1.71 0.02 0.00 0.00 175.30 174.08 2dm4 n ASN 13 N -0.19 -2.56 -4.55 0.23 5.15 -1.26 0.62 115.26 112.69 2dm4 n ASN 13 Ca -0.11 -0.20 -0.39 0.00 -0.60 0.00 0.00 54.58 53.27 2dm4 n ASN 13 Cb 0.63 -2.08 -0.03 0.00 -0.53 0.00 0.00 39.78 37.77 2dm4 n ASN 13 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2dm4 s LEU 14 N -3.38 3.30 -0.26 1.20 2.96 -1.26 -4.07 118.68 117.17 2dm4 s LEU 14 Ca 0.07 0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.37 2dm4 s LEU 14 Cb -0.03 -2.62 0.06 0.00 0.50 0.00 0.00 46.19 44.09 2dm4 s LEU 14 CO 0.25 -2.28 -0.11 -1.10 -1.32 0.00 0.00 176.35 171.79 2dm4 s GLN 15 N 6.82 2.30 0.12 1.98 -1.52 -0.68 -4.87 119.66 123.81 2dm4 s GLN 15 Ca 0.66 -1.31 -0.20 0.00 -1.95 0.00 0.00 55.36 52.56 2dm4 s GLN 15 Cb -0.13 -2.88 -0.07 0.00 -0.22 0.00 0.00 33.01 29.71 2dm4 s GLN 15 CO 0.21 -0.55 0.63 -0.51 -0.25 0.00 0.00 175.29 174.82 2dm4 s LEU 16 N 1.12 4.49 0.39 2.90 2.01 -1.26 -1.73 118.68 126.59 2dm4 s LEU 16 Ca -0.08 1.33 0.05 0.00 0.01 0.00 0.00 54.13 55.44 2dm4 s LEU 16 Cb -0.20 -3.12 -0.02 0.00 0.01 0.00 0.00 46.19 42.87 2dm4 s LEU 16 CO -0.05 0.21 0.20 -0.44 1.01 0.00 0.00 176.35 177.27 2dm4 s SER 17 N -1.28 2.47 -0.03 2.29 0.01 0.14 -4.97 113.70 112.33 2dm4 s SER 17 Ca 0.33 -1.75 0.01 0.00 1.31 0.00 0.00 55.95 55.85 2dm4 s SER 17 Cb -0.19 0.59 0.02 0.00 0.21 0.00 0.00 66.02 66.65 2dm4 s SER 17 CO 0.21 -1.02 -0.04 -0.76 0.41 0.00 0.00 173.24 172.04 2dm4 s LEU 18 N -3.54 1.50 0.08 2.44 1.43 -1.26 -0.26 118.68 119.07 2dm4 s LEU 18 Ca 0.29 -0.09 -0.31 0.00 -1.03 0.00 0.00 54.13 52.99 2dm4 s LEU 18 Cb 0.02 -0.34 -0.07 0.00 0.03 0.00 0.00 46.19 45.83 2dm4 s LEU 18 CO 0.20 -0.03 1.38 -2.16 0.23 0.00 0.00 176.35 175.97 2dm4 s PRO 19 N 0.62 4.32 0.00 1.29 0.04 -1.26 -4.90 135.00 135.11 2dm4 s PRO 19 Ca -0.07 2.03 0.28 0.00 0.04 0.00 0.00 61.00 63.27 2dm4 s PRO 19 Cb -0.11 -3.34 1.65 0.00 0.04 0.00 0.00 34.50 32.74 2dm4 s PRO 19 CO -0.00 -0.46 2.01 2.89 0.04 0.00 0.00 177.00 181.48 2dm4 n ARG 20 N 4.29 0.91 -0.08 4.56 1.85 -1.26 -2.78 116.66 124.15 2dm4 n ARG 20 Ca 0.12 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 57.00 2dm4 n ARG 20 Cb 0.43 -1.47 0.05 0.00 -1.05 0.00 0.00 32.46 30.41 2dm4 n ARG 20 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2dm4 n GLU 21 N -0.97 1.63 -3.70 2.89 -0.58 -1.26 -4.95 120.64 113.70 2dm4 n GLU 21 Ca 0.21 -1.64 -0.11 0.00 -0.42 0.00 0.00 57.16 55.19 2dm4 n GLU 21 Cb 0.09 -1.03 -0.10 0.00 -0.57 0.00 0.00 31.44 29.84 2dm4 n GLU 21 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dm4 s ALA 22 N -1.34 -1.12 0.34 0.62 0.00 -1.12 -5.17 121.76 113.96 2dm4 s ALA 22 Ca 0.10 1.47 0.06 0.00 0.00 0.00 0.00 51.96 53.60 2dm4 s ALA 22 Cb 0.09 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 2dm4 s ALA 22 CO 0.01 -0.25 0.47 -1.21 0.00 0.00 0.00 175.76 174.78 2dm4 s GLU 23 N 0.93 3.12 -1.05 0.00 2.02 -1.26 -4.36 118.70 118.11 2dm4 s GLU 23 Ca -0.06 -1.00 -0.04 0.00 0.02 0.00 0.00 54.97 53.89 2dm4 s GLU 23 Cb -0.06 -2.82 0.03 0.00 0.10 0.00 0.00 34.13 31.38 2dm4 s GLU 23 CO -0.08 0.06 0.21 0.41 0.02 0.00 0.00 175.26 175.88 2dm4 n GLY 24 N -1.65 -0.49 3.08 -1.39 0.00 -1.26 -4.81 105.19 98.66 2dm4 n GLY 24 Ca -0.00 0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.69 0.96 -0.14 1.61 1.01 -1.26 -1.12 120.40 118.77 2dm4 s VAL 25 Ca 0.17 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2dm4 s VAL 25 Cb -0.09 -0.80 0.02 0.00 0.00 0.00 0.00 36.38 35.51 2dm4 s VAL 25 CO 0.21 0.27 -0.16 -0.63 0.00 0.00 0.00 175.10 174.79 2dm4 s ILE 26 N -0.29 1.65 -0.56 2.22 1.01 0.19 -4.32 121.20 121.09 2dm4 s ILE 26 Ca 0.05 -0.70 -0.17 0.00 0.00 0.00 0.00 60.65 59.82 2dm4 s ILE 26 Cb -0.05 -1.52 0.11 0.00 0.01 0.00 0.00 42.46 41.02 2dm4 s ILE 26 CO -0.00 0.47 0.60 -0.69 0.00 0.00 0.00 174.94 175.32 2dm4 s VAL 27 N 1.29 5.01 0.11 2.92 1.01 0.64 0.05 120.40 131.43 2dm4 s VAL 27 Ca 0.01 -1.22 -0.19 0.00 0.00 0.00 0.00 61.98 60.58 2dm4 s VAL 27 Cb -0.14 -4.41 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 2dm4 s VAL 27 CO -0.08 -0.99 0.61 -0.83 0.00 0.00 0.00 175.10 173.80 2dm4 s GLY 28 N 3.58 2.67 0.15 4.51 0.00 -0.15 0.26 107.32 118.34 2dm4 s GLY 28 Ca 0.07 0.06 0.05 0.00 0.00 0.00 0.00 44.72 44.91 2dm4 s GLY 28 CO 0.05 0.47 -0.11 0.30 0.00 0.00 0.00 173.10 173.81 2dm4 s HIS 29 N -1.21 1.32 0.24 1.90 3.76 -0.71 -1.44 115.29 119.16 2dm4 s HIS 29 Ca 0.32 -0.73 -0.20 0.00 -0.15 0.00 0.00 55.06 54.30 2dm4 s HIS 29 Cb -0.19 -0.66 0.07 0.00 1.11 0.00 0.00 32.58 32.91 2dm4 s HIS 29 CO 0.20 0.12 0.96 1.67 -0.85 0.00 0.00 174.74 176.84 2dm4 s TRP 30 N -3.27 0.08 0.31 1.40 -2.14 -1.05 -1.69 118.94 112.59 2dm4 s TRP 30 Ca 0.17 -0.55 0.09 0.00 2.66 0.00 0.00 56.10 58.47 2dm4 s TRP 30 Cb 0.02 0.74 -0.06 0.00 -3.10 0.00 0.00 33.47 31.07 2dm4 s TRP 30 CO 0.01 -1.11 -0.11 0.00 -2.66 0.00 0.00 176.95 173.08 2dm4 s ALA 31 N -2.27 2.75 0.50 2.67 0.00 0.20 -4.83 121.76 120.79 2dm4 s ALA 31 Ca 0.20 -2.00 -0.21 0.00 0.00 0.00 0.00 51.96 49.95 2dm4 s ALA 31 Cb -0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 23.12 22.99 2dm4 s ALA 31 CO 0.07 0.08 1.15 -1.25 0.00 0.00 0.00 175.76 175.81 2dm4 s PRO 32 N -3.62 3.54 0.49 0.00 0.04 -1.26 -2.49 135.00 131.69 2dm4 s PRO 32 Ca 0.31 1.69 -0.22 0.00 0.04 0.00 0.00 61.00 62.82 2dm4 s PRO 32 Cb 0.01 -2.19 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 2dm4 s PRO 32 CO 0.15 -0.71 1.15 -1.25 0.04 0.00 0.00 177.00 176.38 2dm4 s PRO 33 N -3.01 3.63 0.23 0.56 0.04 -1.26 -4.57 135.00 130.62 2dm4 s PRO 33 Ca 0.68 1.72 -0.08 0.00 0.04 0.00 0.00 61.00 63.37 2dm4 s PRO 33 Cb -0.26 -2.28 0.24 0.00 0.04 0.00 0.00 34.50 32.24 2dm4 s PRO 33 CO 0.31 -0.64 1.89 0.82 0.04 0.00 0.00 177.00 179.41 2dm4 h ILE 34 N 1.66 1.17 -2.34 0.56 2.04 -1.80 -3.44 117.51 115.36 2dm4 h ILE 34 Ca -0.50 -0.38 -0.08 0.00 1.00 0.00 0.00 64.86 64.91 2dm4 h ILE 34 Cb 1.25 -0.04 -0.22 0.00 -0.74 0.00 0.00 36.82 37.07 2dm4 h ILE 34 CO 0.59 0.20 -0.03 -2.28 0.00 0.00 0.00 178.15 176.64 2dm4 s HIS 35 N -6.11 -0.62 0.02 1.37 5.04 -1.26 -5.08 115.29 108.66 2dm4 s HIS 35 Ca -0.13 1.45 0.03 0.00 -1.54 0.00 0.00 55.06 54.88 2dm4 s HIS 35 Cb 0.17 0.23 -0.02 0.00 0.04 0.00 0.00 32.58 33.00 2dm4 s HIS 35 CO 0.79 -0.34 -0.10 0.95 -2.34 0.00 0.00 174.74 173.71 2dm4 s THR 36 N 0.08 0.75 0.15 0.89 -4.23 -1.26 -3.01 115.64 109.01 2dm4 s THR 36 Ca -0.02 -0.72 -0.30 0.00 -1.18 0.00 0.00 61.69 59.47 2dm4 s THR 36 Cb -0.04 -0.69 -0.06 0.00 1.34 0.00 0.00 72.50 73.06 2dm4 s THR 36 CO 0.02 -0.01 1.55 0.45 -0.54 0.00 0.00 174.62 176.09 2dm4 h HIS 37 N 5.29 -1.57 -3.15 3.99 3.86 -2.00 -3.44 115.15 118.12 2dm4 h HIS 37 Ca -0.34 0.09 -0.46 0.00 -1.16 0.00 0.00 60.37 58.50 2dm4 h HIS 37 Cb 1.19 0.76 -0.14 0.00 1.06 0.00 0.00 27.41 30.28 2dm4 h HIS 37 CO 0.50 -0.46 -0.58 0.20 0.86 0.00 0.00 177.93 178.46 2dm4 s GLY 38 N -2.54 2.14 0.08 2.45 0.00 -1.26 -5.10 107.32 103.10 2dm4 s GLY 38 Ca -0.14 -1.75 -0.36 0.00 0.00 0.00 0.00 44.72 42.46 2dm4 s GLY 38 CO 0.63 -1.74 1.14 -0.10 0.00 0.00 0.00 173.10 173.03 2dm4 n LEU 39 N -0.68 0.77 -4.62 0.66 0.00 -1.26 -4.75 117.00 107.11 2dm4 n LEU 39 Ca -0.02 1.14 -0.43 0.00 0.00 0.00 0.00 56.01 56.70 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 0.38 -1.57 1.14 -0.63 0.00 0.00 0.00 177.39 176.71 2dm4 s ILE 40 N 0.05 4.11 -0.01 1.96 1.01 -1.26 -4.15 121.20 122.91 2dm4 s ILE 40 Ca 0.83 1.21 -0.23 0.00 0.00 0.00 0.00 60.65 62.46 2dm4 s ILE 40 Cb -1.05 -4.25 -0.19 0.00 0.01 0.00 0.00 42.46 36.98 2dm4 s ILE 40 CO 0.52 -0.62 1.20 0.03 0.00 0.00 0.00 174.94 176.07 2dm4 h ARG 41 N 9.59 0.24 -2.11 2.79 3.08 -1.75 -3.49 114.38 122.73 2dm4 h ARG 41 Ca -0.26 -0.17 0.25 0.00 0.07 0.00 0.00 59.98 59.87 2dm4 h ARG 41 Cb 1.09 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.10 2dm4 h ARG 41 CO 1.06 0.80 0.70 -1.83 -1.07 0.00 0.00 179.97 179.62 2dm4 s GLU 42 N -3.78 0.85 -0.11 0.04 1.03 -1.25 -5.06 118.70 110.42 2dm4 s GLU 42 Ca -0.15 -0.51 0.03 0.00 0.03 0.00 0.00 54.97 54.37 2dm4 s GLU 42 Cb 0.03 0.26 0.00 0.00 -0.80 0.00 0.00 34.13 33.62 2dm4 s GLU 42 CO 0.74 -0.39 -0.23 0.71 -1.33 0.00 0.00 175.26 174.76 2dm4 s TYR 43 N -2.44 2.60 0.05 4.83 2.02 -1.20 -0.98 117.35 122.23 2dm4 s TYR 43 Ca 0.19 -1.07 -0.06 0.00 -0.37 0.00 0.00 57.07 55.76 2dm4 s TYR 43 Cb 0.00 -1.74 -0.05 0.00 -0.40 0.00 0.00 41.96 39.77 2dm4 s TYR 43 CO 0.01 -0.44 0.31 -1.50 -1.57 0.00 0.00 175.55 172.37 2dm4 s ILE 44 N 0.42 5.24 -0.13 2.71 2.07 -0.48 -1.08 121.20 129.95 2dm4 s ILE 44 Ca -0.16 0.15 0.02 0.00 -1.41 0.00 0.00 60.65 59.25 2dm4 s ILE 44 Cb -0.17 -3.60 0.01 0.00 0.13 0.00 0.00 42.46 38.83 2dm4 s ILE 44 CO 0.07 0.27 -0.20 0.68 -1.91 0.00 0.00 174.94 173.84 2dm4 s VAL 45 N -1.41 1.91 -0.18 4.00 -7.23 -0.27 -1.27 120.40 115.97 2dm4 s VAL 45 Ca 0.32 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 2dm4 s VAL 45 Cb -0.13 -1.70 0.01 0.00 0.56 0.00 0.00 36.38 35.12 2dm4 s VAL 45 CO 0.19 0.52 -0.16 -1.61 -0.31 0.00 0.00 175.10 173.73 2dm4 s GLU 46 N 0.81 3.11 0.18 4.82 8.01 0.26 -1.98 118.70 133.91 2dm4 s GLU 46 Ca -0.08 -0.78 0.09 0.00 0.01 0.00 0.00 54.97 54.21 2dm4 s GLU 46 Cb -0.16 -2.64 -0.04 0.00 -4.31 0.00 0.00 34.13 26.98 2dm4 s GLU 46 CO -0.01 -0.13 -0.18 1.52 0.01 0.00 0.00 175.26 176.47 2dm4 s TYR 47 N 1.16 1.86 0.19 1.61 1.13 -1.00 -1.08 117.35 121.22 2dm4 s TYR 47 Ca 0.01 -0.47 -0.20 0.00 -1.41 0.00 0.00 57.07 55.00 2dm4 s TYR 47 Cb -0.14 -0.91 0.04 0.00 -1.10 0.00 0.00 41.96 39.85 2dm4 s TYR 47 CO -0.07 0.37 0.58 -1.54 -2.51 0.00 0.00 175.55 172.38 2dm4 s SER 48 N -2.81 -0.37 -0.14 -0.18 1.04 -0.96 -1.68 113.70 108.59 2dm4 s SER 48 Ca 0.18 -0.32 -0.20 0.00 0.48 0.00 0.00 55.95 56.09 2dm4 s SER 48 Cb -0.05 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 2dm4 s SER 48 CO 0.07 -1.06 0.57 -0.13 0.98 0.00 0.00 173.24 173.67 2dm4 s ARG 49 N -3.83 4.30 -0.86 4.02 0.52 -1.26 -0.66 118.95 121.17 2dm4 s ARG 49 Ca 0.06 0.57 -0.22 0.00 -0.52 0.00 0.00 55.73 55.62 2dm4 s ARG 49 Cb -0.02 -3.50 -0.21 0.00 0.52 0.00 0.00 34.95 31.74 2dm4 s ARG 49 CO -0.05 -0.02 2.40 0.45 0.02 0.00 0.00 175.30 178.10 2dm4 n SER 50 N 4.27 0.41 0.00 0.23 2.88 -0.87 -1.93 113.62 118.61 2dm4 n SER 50 Ca -0.04 -0.57 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 2dm4 n SER 50 Cb 0.51 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 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 6.15 0.83 3.63 0.46 0.00 -1.26 -4.97 105.19 110.03 2dm4 n GLY 51 Ca 0.57 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.48 2dm4 n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm4 s SER 52 N -0.50 -0.78 -0.26 1.61 0.15 -0.81 -5.04 113.70 108.07 2dm4 s SER 52 Ca 0.00 1.40 -0.01 0.00 0.70 0.00 0.00 55.95 58.03 2dm4 s SER 52 Cb 0.00 1.38 0.12 0.00 -1.71 0.00 0.00 66.02 65.82 2dm4 s SER 52 CO 0.00 -0.23 2.21 0.29 1.20 0.00 0.00 173.24 176.71 2dm4 n LYS 53 N 3.26 1.74 -3.85 5.44 5.02 -1.26 -4.74 118.16 123.76 2dm4 n LYS 53 Ca -0.16 -1.33 -0.25 0.00 -2.02 0.00 0.00 58.31 54.54 2dm4 n LYS 53 Cb 0.57 -1.59 -0.17 0.00 -0.02 0.00 0.00 35.03 33.82 2dm4 n LYS 53 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2dm4 s MET 54 N -1.29 1.15 -0.10 1.97 1.75 -1.26 -5.13 119.30 116.39 2dm4 s MET 54 Ca 0.31 -0.12 0.04 0.00 -1.25 0.00 0.00 55.69 54.66 2dm4 s MET 54 Cb 0.22 -1.37 0.00 0.00 2.84 0.00 0.00 34.83 36.53 2dm4 s MET 54 CO -0.03 -0.29 -0.22 -1.58 -0.65 0.00 0.00 175.02 172.25 2dm4 s TRP 55 N 1.81 2.41 -0.28 4.11 0.52 -1.26 -4.43 118.94 121.82 2dm4 s TRP 55 Ca 0.05 -1.01 -0.10 0.00 0.02 0.00 0.00 56.10 55.06 2dm4 s TRP 55 Cb -0.13 -1.63 -0.03 0.00 -1.15 0.00 0.00 33.47 30.53 2dm4 s TRP 55 CO -0.07 -0.43 0.15 0.00 0.02 0.00 0.00 176.95 176.63 2dm4 s ALA 56 N 0.46 3.37 -0.01 0.98 0.00 -0.68 -4.94 121.76 120.94 2dm4 s ALA 56 Ca -0.17 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.60 2dm4 s ALA 56 Cb -0.17 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 2dm4 s ALA 56 CO 0.07 -0.63 0.11 -1.54 0.00 0.00 0.00 175.76 173.76 2dm4 s SER 57 N 1.69 5.89 -0.01 0.00 1.04 -1.26 -2.39 113.70 118.66 2dm4 s SER 57 Ca 0.06 0.22 -0.19 0.00 0.48 0.00 0.00 55.95 56.52 2dm4 s SER 57 Cb -0.16 -1.75 0.04 0.00 0.10 0.00 0.00 66.02 64.25 2dm4 s SER 57 CO 0.08 0.28 0.42 0.00 0.98 0.00 0.00 173.24 175.00 2dm4 s GLN 58 N -1.73 0.80 0.32 4.02 -2.07 -0.84 -4.98 119.66 115.19 2dm4 s GLN 58 Ca 0.23 -0.10 -0.22 0.00 -1.82 0.00 0.00 55.36 53.45 2dm4 s GLN 58 Cb -0.12 0.36 -0.10 0.00 -1.09 0.00 0.00 33.01 32.07 2dm4 s GLN 58 CO 0.14 -0.24 0.87 1.03 -1.32 0.00 0.00 175.29 175.78 2dm4 s ARG 59 N -1.46 4.37 -0.06 9.60 1.81 -1.26 -1.11 118.95 130.84 2dm4 s ARG 59 Ca -0.12 1.10 0.02 0.00 -1.72 0.00 0.00 55.73 55.01 2dm4 s ARG 59 Cb -0.03 -2.64 0.02 0.00 -0.45 0.00 0.00 34.95 31.85 2dm4 s ARG 59 CO 0.05 0.22 -0.09 0.00 -0.68 0.00 0.00 175.30 174.80 2dm4 s ALA 60 N -1.76 1.05 -0.06 2.13 0.00 -0.24 -4.91 121.76 117.97 2dm4 s ALA 60 Ca 0.52 -0.29 -0.17 0.00 0.00 0.00 0.00 51.96 52.02 2dm4 s ALA 60 Cb -0.15 -0.54 -0.12 0.00 0.00 0.00 0.00 23.12 22.32 2dm4 s ALA 60 CO 0.20 0.03 0.67 0.00 0.00 0.00 0.00 175.76 176.66 2dm4 h ALA 61 N 7.13 -0.30 -4.26 0.00 0.00 -1.84 -3.18 119.26 116.81 2dm4 h ALA 61 Ca -0.33 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.17 2dm4 h ALA 61 Cb 1.17 0.11 0.06 0.00 0.00 0.00 0.00 17.79 19.14 2dm4 h ALA 61 CO 0.47 -0.32 0.11 0.45 0.00 0.00 0.00 179.25 179.96 2dm4 n SER 62 N -4.97 0.50 -1.94 0.00 2.88 -1.26 -4.83 113.62 104.00 2dm4 n SER 62 Ca -0.07 -1.49 -0.12 0.00 -1.33 0.00 0.00 58.87 55.86 2dm4 n SER 62 Cb 0.22 -0.41 -0.08 0.00 -0.75 0.00 0.00 64.21 63.20 2dm4 n SER 62 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2dm4 n ASN 63 N -3.12 5.65 -3.66 -3.46 4.13 -1.26 -4.81 115.26 108.73 2dm4 n ASN 63 Ca 0.09 -2.67 -0.00 0.00 1.68 0.00 0.00 54.58 53.68 2dm4 n ASN 63 Cb 0.31 -1.26 -0.00 0.00 -1.54 0.00 0.00 39.78 37.28 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 -0.11 -0.05 0.10 3.10 -0.71 -1.26 -2.51 117.98 116.53 2dm4 s PHE 64 Ca 0.43 -0.14 -0.23 0.00 -1.04 0.00 0.00 56.93 55.95 2dm4 s PHE 64 Cb 0.24 0.59 0.06 0.00 -1.21 0.00 0.00 43.02 42.70 2dm4 s PHE 64 CO -0.04 -0.51 0.57 -0.08 -1.34 0.00 0.00 175.22 173.83 2dm4 s THR 65 N -2.65 0.01 -0.39 -4.49 -1.32 -0.52 -4.65 115.64 101.64 2dm4 s THR 65 Ca 0.15 -0.11 0.01 0.00 -1.21 0.00 0.00 61.69 60.53 2dm4 s THR 65 Cb 0.02 -1.01 0.11 0.00 -1.51 0.00 0.00 72.50 70.10 2dm4 s THR 65 CO -0.01 -0.06 0.13 -1.61 -2.21 0.00 0.00 174.62 170.86 2dm4 s GLU 66 N -3.09 1.74 -0.76 7.08 2.02 -1.26 -0.98 118.70 123.45 2dm4 s GLU 66 Ca -0.02 -1.92 -0.27 0.00 0.02 0.00 0.00 54.97 52.78 2dm4 s GLU 66 Cb -0.00 -3.37 0.03 0.00 0.10 0.00 0.00 34.13 30.88 2dm4 s GLU 66 CO -0.07 -1.01 1.29 0.42 0.02 0.00 0.00 175.26 175.91 2dm4 s ILE 67 N 0.89 3.74 0.67 -1.63 1.01 0.11 -4.84 121.20 121.14 2dm4 s ILE 67 Ca 0.11 0.32 0.02 0.00 0.00 0.00 0.00 60.65 61.09 2dm4 s ILE 67 Cb -0.21 -4.93 0.11 0.00 0.01 0.00 0.00 42.46 37.44 2dm4 s ILE 67 CO -0.06 -1.86 0.92 -0.54 0.00 0.00 0.00 174.94 173.40 2dm4 s LYS 68 N 5.66 1.93 -0.86 2.79 1.02 -1.26 -0.64 119.74 128.38 2dm4 s LYS 68 Ca 0.36 -1.18 -0.01 0.00 0.02 0.00 0.00 55.97 55.15 2dm4 s LYS 68 Cb -0.08 -2.42 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 2dm4 s LYS 68 CO 0.13 -1.22 0.72 0.09 -0.92 0.00 0.00 175.35 174.15 2dm4 n ASN 69 N -2.64 -2.64 -4.65 2.83 3.02 -1.08 -4.95 115.26 105.16 2dm4 n ASN 69 Ca 0.14 -0.42 -0.26 0.00 -0.03 0.00 0.00 54.58 54.02 2dm4 n ASN 69 Cb 0.61 -3.70 -0.09 0.00 -0.61 0.00 0.00 39.78 35.98 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 -5.10 2.98 -0.14 3.41 1.43 -0.28 -5.06 118.68 115.92 2dm4 s LEU 70 Ca 0.08 -1.13 -0.12 0.00 -1.03 0.00 0.00 54.13 51.93 2dm4 s LEU 70 Cb -0.04 -1.23 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 2dm4 s LEU 70 CO 0.51 -0.39 0.25 -0.76 0.23 0.00 0.00 176.35 176.19 2dm4 s LEU 71 N -3.76 4.29 0.44 1.79 1.43 -1.26 -4.45 118.68 117.16 2dm4 s LEU 71 Ca 0.37 0.51 -0.24 0.00 -1.03 0.00 0.00 54.13 53.73 2dm4 s LEU 71 Cb 0.04 -2.30 -0.08 0.00 0.03 0.00 0.00 46.19 43.89 2dm4 s LEU 71 CO 0.20 0.20 1.26 0.68 0.23 0.00 0.00 176.35 178.91 2dm4 s VAL 72 N -0.00 2.72 -1.22 -1.59 -7.23 -1.26 -3.30 120.40 108.52 2dm4 s VAL 72 Ca 0.16 0.59 -0.03 0.00 -1.81 0.00 0.00 61.98 60.89 2dm4 s VAL 72 Cb -0.13 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.49 2dm4 s VAL 72 CO 0.04 0.04 1.03 0.59 -0.31 0.00 0.00 175.10 176.50 2dm4 n ASN 73 N -0.26 -3.57 -3.85 4.85 3.02 -0.94 -4.87 115.26 109.64 2dm4 n ASN 73 Ca 0.06 -0.57 -0.15 0.00 -0.03 0.00 0.00 54.58 53.89 2dm4 n ASN 73 Cb 0.45 -4.95 -0.15 0.00 -0.61 0.00 0.00 39.78 34.52 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 -3.33 0.14 0.26 3.41 2.01 -1.21 -4.86 115.64 112.06 2dm4 s THR 74 Ca 0.21 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.93 2dm4 s THR 74 Cb -0.09 -0.19 -0.09 0.00 0.01 0.00 0.00 72.50 72.14 2dm4 s THR 74 CO 0.71 0.09 1.20 -0.22 -0.69 0.00 0.00 174.62 175.71 2dm4 s LEU 75 N 0.53 4.48 -0.03 4.42 1.98 -1.26 -2.09 118.68 126.71 2dm4 s LEU 75 Ca -0.05 2.37 0.01 0.00 -2.89 0.00 0.00 54.13 53.57 2dm4 s LEU 75 Cb -0.08 -3.62 0.02 0.00 0.66 0.00 0.00 46.19 43.17 2dm4 s LEU 75 CO -0.01 -0.34 -0.02 -0.31 -1.89 0.00 0.00 176.35 173.79 2dm4 s TYR 76 N -0.72 0.43 -0.47 5.38 1.51 -0.49 -2.06 117.35 120.93 2dm4 s TYR 76 Ca 0.49 -0.06 -0.17 0.00 -1.01 0.00 0.00 57.07 56.32 2dm4 s TYR 76 Cb -0.34 -0.46 0.05 0.00 -0.11 0.00 0.00 41.96 41.10 2dm4 s TYR 76 CO 0.42 -0.13 0.47 0.99 -1.11 0.00 0.00 175.55 176.19 2dm4 s THR 77 N 0.89 5.09 0.06 -0.71 2.01 0.16 -1.86 115.64 121.27 2dm4 s THR 77 Ca -0.10 -0.69 -0.00 0.00 0.31 0.00 0.00 61.69 61.21 2dm4 s THR 77 Cb -0.13 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2dm4 s THR 77 CO -0.01 -0.60 0.21 -0.69 -0.69 0.00 0.00 174.62 172.84 2dm4 s VAL 78 N 2.08 5.39 -0.22 3.82 1.01 -0.77 -2.28 120.40 129.43 2dm4 s VAL 78 Ca 0.09 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.55 2dm4 s VAL 78 Cb -0.21 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.61 2dm4 s VAL 78 CO 0.10 0.15 0.56 0.00 0.00 0.00 0.00 175.10 175.91 2dm4 s ARG 79 N -2.48 0.59 0.10 2.72 1.70 -0.24 -2.28 118.95 119.06 2dm4 s ARG 79 Ca 0.35 0.92 0.05 0.00 -0.47 0.00 0.00 55.73 56.58 2dm4 s ARG 79 Cb -0.13 0.16 -0.04 0.00 -0.57 0.00 0.00 34.95 34.37 2dm4 s ARG 79 CO 0.27 -0.12 0.02 0.08 -1.08 0.00 0.00 175.30 174.46 2dm4 s VAL 80 N 1.04 4.08 -0.05 4.99 1.01 -1.26 -0.58 120.40 129.64 2dm4 s VAL 80 Ca -0.06 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 2dm4 s VAL 80 Cb -0.06 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.38 2dm4 s VAL 80 CO -0.10 0.09 0.11 0.00 0.00 0.00 0.00 175.10 175.21 2dm4 s ALA 81 N -1.37 -0.24 -0.07 5.51 0.00 -0.39 -1.62 121.76 123.58 2dm4 s ALA 81 Ca 0.27 0.43 -0.28 0.00 0.00 0.00 0.00 51.96 52.37 2dm4 s ALA 81 Cb -0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 2dm4 s ALA 81 CO 0.19 -0.09 0.92 0.00 0.00 0.00 0.00 175.76 176.78 2dm4 s ALA 82 N 0.51 3.33 -0.11 0.00 0.00 -1.26 -1.38 121.76 122.85 2dm4 s ALA 82 Ca -0.04 0.33 -0.10 0.00 0.00 0.00 0.00 51.96 52.16 2dm4 s ALA 82 Cb -0.05 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 2dm4 s ALA 82 CO -0.02 -0.40 0.21 0.08 0.00 0.00 0.00 175.76 175.63 2dm4 s VAL 83 N 1.49 5.38 0.35 0.00 1.01 -0.15 -2.36 120.40 126.12 2dm4 s VAL 83 Ca 0.46 0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.85 2dm4 s VAL 83 Cb -0.19 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 2dm4 s VAL 83 CO 0.20 0.56 0.07 0.42 0.00 0.00 0.00 175.10 176.36 2dm4 s THR 84 N -0.70 1.04 0.24 3.92 -4.23 -0.65 -2.10 115.64 113.16 2dm4 s THR 84 Ca 0.16 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.68 2dm4 s THR 84 Cb -0.13 -2.67 0.33 0.00 1.34 0.00 0.00 72.50 71.37 2dm4 s THR 84 CO 0.05 0.00 1.22 -1.54 -0.54 0.00 0.00 174.62 173.81 2dm4 n SER 85 N -0.84 -0.10 0.25 3.99 3.41 -1.26 -0.55 113.62 118.53 2dm4 n SER 85 Ca -0.04 1.32 -0.10 0.00 -0.26 0.00 0.00 58.87 59.79 2dm4 n SER 85 Cb 0.66 -0.48 -0.05 0.00 -0.26 0.00 0.00 64.21 64.09 2dm4 n SER 85 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2dm4 h ARG 86 N 0.00 -0.65 0.00 4.33 2.47 -1.96 -3.50 114.38 115.08 2dm4 h ARG 86 Ca 0.47 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.23 2dm4 h ARG 86 Cb 0.95 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 2dm4 h ARG 86 CO -0.73 -0.43 0.00 0.41 0.56 0.00 0.00 179.97 179.78 2dm4 n GLY 87 N -0.31 -0.59 3.76 0.04 0.00 0.29 -5.13 105.19 103.25 2dm4 n GLY 87 Ca -0.08 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.00 2.82 0.00 -0.61 1.01 -1.26 -1.64 121.20 118.52 2dm4 s ILE 88 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 60.65 61.43 2dm4 s ILE 88 Cb 0.00 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.97 2dm4 s ILE 88 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.72 2dm4 n GLY 89 N 1.29 2.15 3.45 6.18 0.00 -0.99 -4.96 105.19 112.31 2dm4 n GLY 89 Ca 0.02 -1.89 -0.28 0.00 0.00 0.00 0.00 46.02 43.86 2dm4 n GLY 89 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dm4 n ASN 90 N 0.00 -1.86 -4.61 1.61 3.02 -1.26 -4.86 115.26 107.30 2dm4 n ASN 90 Ca 0.00 -0.19 -0.34 0.00 -0.03 0.00 0.00 54.58 54.02 2dm4 n ASN 90 Cb 0.00 -1.24 -0.10 0.00 -0.61 0.00 0.00 39.78 37.83 2dm4 n ASN 90 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2dm4 s TRP 91 N -2.39 3.09 0.97 3.10 0.52 -1.26 -4.42 118.94 118.55 2dm4 s TRP 91 Ca 0.68 0.02 -0.12 0.00 0.02 0.00 0.00 56.10 56.71 2dm4 s TRP 91 Cb -0.25 -1.84 0.17 0.00 -1.15 0.00 0.00 33.47 30.40 2dm4 s TRP 91 CO 0.66 0.29 1.09 -1.54 0.02 0.00 0.00 176.95 177.46 2dm4 s SER 92 N -0.45 2.70 -0.89 2.95 1.04 -0.64 -4.78 113.70 113.63 2dm4 s SER 92 Ca 0.08 1.63 -0.24 0.00 0.48 0.00 0.00 55.95 57.90 2dm4 s SER 92 Cb -0.12 -2.28 -0.19 0.00 0.10 0.00 0.00 66.02 63.53 2dm4 s SER 92 CO 0.02 -3.15 2.22 0.47 0.98 0.00 0.00 173.24 173.78 2dm4 n ASP 93 N -4.23 1.28 -4.47 7.02 8.00 -1.26 -4.74 116.55 118.16 2dm4 n ASP 93 Ca 0.07 -1.87 -0.45 0.00 0.71 0.00 0.00 54.79 53.25 2dm4 n ASP 93 Cb 0.54 -1.60 -0.01 0.00 -0.02 0.00 0.00 41.12 40.03 2dm4 n ASP 93 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2dm4 n SER 94 N 18.11 -0.45 -4.25 -2.24 3.41 -1.26 -4.81 113.62 122.13 2dm4 n SER 94 Ca 0.43 1.07 -0.18 0.00 -0.26 0.00 0.00 58.87 59.94 2dm4 n SER 94 Cb 0.44 -1.09 -0.11 0.00 -0.26 0.00 0.00 64.21 63.18 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 -1.31 1.04 -0.13 4.33 -0.14 -0.97 -4.99 119.74 117.57 2dm4 s LYS 95 Ca 0.62 -1.26 -0.01 0.00 -1.36 0.00 0.00 55.97 53.95 2dm4 s LYS 95 Cb -0.76 -0.91 -0.02 0.00 -1.68 0.00 0.00 37.83 34.45 2dm4 s LYS 95 CO 0.58 0.17 -0.09 -1.54 -0.76 0.00 0.00 175.35 173.72 2dm4 s SER 96 N -2.51 4.40 -0.04 2.83 1.04 -1.26 -1.84 113.70 116.33 2dm4 s SER 96 Ca 0.10 -0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.33 2dm4 s SER 96 Cb -0.05 -1.63 0.02 0.00 0.10 0.00 0.00 66.02 64.47 2dm4 s SER 96 CO 0.03 0.19 -0.06 -0.51 0.98 0.00 0.00 173.24 173.87 2dm4 s ILE 97 N 0.22 0.59 -0.31 -1.02 2.07 -0.78 -4.93 121.20 117.04 2dm4 s ILE 97 Ca -0.05 -0.19 -0.18 0.00 -1.41 0.00 0.00 60.65 58.82 2dm4 s ILE 97 Cb -0.15 -0.58 -0.01 0.00 0.13 0.00 0.00 42.46 41.85 2dm4 s ILE 97 CO 0.04 0.22 0.52 -0.89 -1.91 0.00 0.00 174.94 172.92 2dm4 s THR 98 N 0.67 5.03 1.09 4.00 2.01 -1.26 -1.40 115.64 125.78 2dm4 s THR 98 Ca -0.09 0.57 -0.12 0.00 0.31 0.00 0.00 61.69 62.35 2dm4 s THR 98 Cb -0.12 -3.91 0.24 0.00 0.01 0.00 0.00 72.50 68.71 2dm4 s THR 98 CO 0.00 -0.10 1.06 0.42 -0.69 0.00 0.00 174.62 175.31 2dm4 s THR 99 N 2.38 2.09 0.10 -0.82 -4.23 -0.89 -4.83 115.64 109.45 2dm4 s THR 99 Ca 0.20 0.03 0.06 0.00 -1.18 0.00 0.00 61.69 60.80 2dm4 s THR 99 Cb -0.15 -2.21 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 2dm4 s THR 99 CO 0.12 -0.04 -0.16 0.27 -0.54 0.00 0.00 174.62 174.27 2dm4 s ILE 100 N -2.62 1.36 -1.23 2.99 -4.36 -1.26 -2.22 121.20 113.86 2dm4 s ILE 100 Ca 0.67 -1.55 -0.17 0.00 -0.26 0.00 0.00 60.65 59.34 2dm4 s ILE 100 Cb -0.23 -1.40 0.10 0.00 1.25 0.00 0.00 42.46 42.19 2dm4 s ILE 100 CO 0.62 -0.27 1.59 -0.75 0.24 0.00 0.00 174.94 176.37 2dm4 s LYS 101 N -2.21 3.97 1.18 0.37 2.47 -1.26 -4.45 119.74 119.81 2dm4 s LYS 101 Ca 0.05 -2.10 0.00 0.00 -1.56 0.00 0.00 55.97 52.36 2dm4 s LYS 101 Cb -0.08 -5.34 0.00 0.00 -1.46 0.00 0.00 37.83 30.95 2dm4 s LYS 101 CO 0.03 -2.08 0.00 0.41 0.16 0.00 0.00 175.35 173.88 2dm4 n GLY 102 N 5.11 0.75 3.73 5.54 0.00 -1.26 -4.52 105.19 114.54 2dm4 n GLY 102 Ca 0.43 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 2dm4 n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm4 s SER 103 N -4.00 7.51 0.00 1.61 0.01 -1.26 -5.06 113.70 112.51 2dm4 s SER 103 Ca 0.00 1.85 0.00 0.00 1.31 0.00 0.00 55.95 59.11 2dm4 s SER 103 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2dm4 s SER 103 CO 0.00 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.23 2dm4 n GLY 104 N 2.06 0.97 0.18 3.44 0.00 -1.26 -4.95 105.19 105.62 2dm4 n GLY 104 Ca 0.01 -1.82 0.14 0.00 0.00 0.00 0.00 46.02 44.35 2dm4 n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm4 h PRO 105 N 0.00 0.00 -6.50 1.61 0.13 -1.98 -3.44 132.00 121.82 2dm4 h PRO 105 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 2dm4 h PRO 105 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2dm4 h PRO 105 CO 0.00 0.00 0.48 -1.54 -0.23 0.00 0.00 178.00 176.71 2dm4 s SER 106 N -4.70 7.22 0.29 1.44 1.04 -1.26 -4.99 113.70 112.74 2dm4 s SER 106 Ca 0.03 1.92 -0.29 0.00 0.48 0.00 0.00 55.95 58.08 2dm4 s SER 106 Cb 0.09 -2.58 -0.10 0.00 0.10 0.00 0.00 66.02 63.53 2dm4 s SER 106 CO 0.44 -0.34 1.41 -0.55 0.98 0.00 0.00 173.24 175.18 2dm4 s SER 107 N 0.75 6.64 0.00 7.02 0.15 -1.26 -5.07 113.70 121.94 2dm4 s SER 107 Ca 0.54 2.72 0.27 0.00 0.70 0.00 0.00 55.95 60.18 2dm4 s SER 107 Cb -0.27 -2.64 0.80 0.00 -1.71 0.00 0.00 66.02 62.20 2dm4 s SER 107 CO 0.30 -0.68 1.60 0.61 1.20 0.00 0.00 173.24 176.27