#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 1.07 -0.30 1.61 0.01 -1.26 -5.08 113.70 109.76 2dm4 s SER 2 Ca 0.00 -1.25 0.15 0.00 1.31 0.00 0.00 55.95 56.16 2dm4 s SER 2 Cb 0.00 0.16 0.48 0.00 0.21 0.00 0.00 66.02 66.87 2dm4 s SER 2 CO 0.00 -0.65 1.10 -0.24 0.41 0.00 0.00 173.24 173.87 2dm4 n SER 3 N -0.30 2.86 -3.36 2.44 2.88 -1.26 -5.09 113.62 111.80 2dm4 n SER 3 Ca -0.04 -2.84 -0.10 0.00 -1.33 0.00 0.00 58.87 54.56 2dm4 n SER 3 Cb 0.64 -0.45 0.05 0.00 -0.75 0.00 0.00 64.21 63.70 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 -0.51 1.36 3.77 0.46 0.00 -1.26 -5.07 105.19 103.94 2dm4 n GLY 4 Ca 0.22 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.75 2dm4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm4 s SER 5 N -2.88 6.94 -0.12 1.61 1.04 -1.26 -4.98 113.70 114.05 2dm4 s SER 5 Ca 0.31 2.31 -0.26 0.00 0.48 0.00 0.00 55.95 58.80 2dm4 s SER 5 Cb -0.02 -2.62 -0.23 0.00 0.10 0.00 0.00 66.02 63.25 2dm4 s SER 5 CO 0.20 -0.38 0.74 0.28 0.98 0.00 0.00 173.24 175.07 2dm4 h SER 6 N 3.27 -0.01 -5.08 7.02 0.02 -1.97 -3.48 113.55 113.31 2dm4 h SER 6 Ca -0.48 -0.84 -0.15 0.00 -0.84 0.00 0.00 61.79 59.49 2dm4 h SER 6 Cb 1.22 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.61 2dm4 h SER 6 CO 0.65 0.89 -0.69 -0.83 -1.14 0.00 0.00 176.83 175.71 2dm4 s GLY 7 N -4.03 0.51 0.42 -3.77 0.00 -1.26 -5.04 107.32 94.15 2dm4 s GLY 7 Ca -0.17 -1.18 0.21 0.00 0.00 0.00 0.00 44.72 43.58 2dm4 s GLY 7 CO 0.62 -1.29 1.84 -0.56 0.00 0.00 0.00 173.10 173.71 2dm4 h PRO 8 N 3.25 0.00 -1.11 2.90 0.13 -1.93 -3.22 132.00 132.02 2dm4 h PRO 8 Ca -0.34 0.00 0.40 0.00 -0.87 0.00 0.00 66.00 65.19 2dm4 h PRO 8 Cb 1.15 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.15 2dm4 h PRO 8 CO 0.63 0.29 0.68 -0.25 -0.23 0.00 0.00 178.00 179.13 2dm4 n ASP 9 N -3.60 0.22 -4.85 1.44 8.00 -1.13 -3.86 116.55 112.77 2dm4 n ASP 9 Ca -0.01 1.29 -0.32 0.00 0.71 0.00 0.00 54.79 56.46 2dm4 n ASP 9 Cb 0.42 -0.63 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 2dm4 n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dm4 s ALA 10 N -5.13 3.05 1.26 2.24 0.00 -1.22 -4.40 121.76 117.56 2dm4 s ALA 10 Ca -0.07 0.11 -0.21 0.00 0.00 0.00 0.00 51.96 51.79 2dm4 s ALA 10 Cb 0.28 -3.11 0.31 0.00 0.00 0.00 0.00 23.12 20.60 2dm4 s ALA 10 CO 0.71 -0.41 1.11 -0.35 0.00 0.00 0.00 175.76 176.81 2dm4 n PRO 11 N -1.97 -3.19 -3.94 0.00 -0.04 -1.26 -4.37 135.00 120.22 2dm4 n PRO 11 Ca 0.07 -1.77 -0.09 0.00 -0.04 0.00 0.00 63.50 61.66 2dm4 n PRO 11 Cb 0.54 -1.66 -0.05 0.00 -0.04 0.00 0.00 33.50 32.29 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 -5.51 1.47 -0.56 0.54 0.52 -1.10 -4.75 118.95 109.56 2dm4 s ARG 12 Ca 0.72 -1.16 -0.02 0.00 -0.52 0.00 0.00 55.73 54.75 2dm4 s ARG 12 Cb -0.07 0.47 0.00 0.00 0.52 0.00 0.00 34.95 35.87 2dm4 s ARG 12 CO 0.55 -0.61 0.22 -1.71 0.02 0.00 0.00 175.30 173.77 2dm4 n ASN 13 N -0.35 -3.18 -4.59 0.23 5.15 -1.26 0.14 115.26 111.39 2dm4 n ASN 13 Ca -0.04 -0.10 -0.42 0.00 -0.60 0.00 0.00 54.58 53.41 2dm4 n ASN 13 Cb 0.62 -2.10 -0.03 0.00 -0.53 0.00 0.00 39.78 37.74 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 -2.72 3.45 -0.22 1.20 2.96 -1.26 -4.12 118.68 117.96 2dm4 s LEU 14 Ca 0.11 1.62 0.01 0.00 -0.22 0.00 0.00 54.13 55.65 2dm4 s LEU 14 Cb -0.05 -3.39 0.06 0.00 0.50 0.00 0.00 46.19 43.30 2dm4 s LEU 14 CO 0.13 -2.00 -0.06 -1.10 -1.32 0.00 0.00 176.35 172.00 2dm4 s GLN 15 N 6.38 1.67 0.34 1.98 -0.21 -0.69 -4.95 119.66 124.18 2dm4 s GLN 15 Ca 0.94 -0.91 -0.05 0.00 0.02 0.00 0.00 55.36 55.36 2dm4 s GLN 15 Cb -0.28 -2.50 -0.05 0.00 1.00 0.00 0.00 33.01 31.18 2dm4 s GLN 15 CO 0.33 -0.55 0.62 -0.51 -2.12 0.00 0.00 175.29 173.06 2dm4 s LEU 16 N 1.42 3.95 0.00 2.90 1.02 -1.26 -1.31 118.68 125.41 2dm4 s LEU 16 Ca -0.04 0.78 -0.09 0.00 0.02 0.00 0.00 54.13 54.79 2dm4 s LEU 16 Cb -0.18 -3.63 0.04 0.00 0.02 0.00 0.00 46.19 42.44 2dm4 s LEU 16 CO -0.07 -0.30 0.67 -1.54 0.02 0.00 0.00 176.35 175.13 2dm4 n SER 17 N -1.29 -1.91 -4.10 2.29 3.41 -0.65 -4.97 113.62 106.39 2dm4 n SER 17 Ca -0.01 -2.72 -0.30 0.00 -0.26 0.00 0.00 58.87 55.58 2dm4 n SER 17 Cb 0.54 3.30 -0.17 0.00 -0.26 0.00 0.00 64.21 67.63 2dm4 n SER 17 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2dm4 s LEU 18 N 0.00 1.87 0.09 1.04 2.01 -1.26 -1.40 118.68 121.03 2dm4 s LEU 18 Ca 0.21 -0.48 -0.31 0.00 0.01 0.00 0.00 54.13 53.56 2dm4 s LEU 18 Cb -0.03 -1.20 -0.07 0.00 0.01 0.00 0.00 46.19 44.89 2dm4 s LEU 18 CO 0.16 0.05 1.38 -2.16 1.01 0.00 0.00 176.35 176.79 2dm4 s PRO 19 N 0.83 4.32 0.00 1.29 0.04 -1.26 -4.90 135.00 135.32 2dm4 s PRO 19 Ca -0.09 2.04 0.30 0.00 0.04 0.00 0.00 61.00 63.29 2dm4 s PRO 19 Cb -0.16 -3.31 1.60 0.00 0.04 0.00 0.00 34.50 32.67 2dm4 s PRO 19 CO 0.00 -0.45 2.08 2.89 0.04 0.00 0.00 177.00 181.57 2dm4 n ARG 20 N 4.19 0.57 -0.06 4.56 1.85 -1.26 -2.99 116.66 123.51 2dm4 n ARG 20 Ca 0.12 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 57.04 2dm4 n ARG 20 Cb 0.43 -1.50 0.10 0.00 -1.05 0.00 0.00 32.46 30.44 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 -1.21 1.70 -3.67 2.89 1.02 -1.26 -4.72 120.64 115.39 2dm4 n GLU 21 Ca 0.17 -2.29 -0.08 0.00 -0.02 0.00 0.00 57.16 54.93 2dm4 n GLU 21 Cb 0.21 -1.36 -0.09 0.00 -0.02 0.00 0.00 31.44 30.17 2dm4 n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dm4 s ALA 22 N -2.38 -1.47 0.21 0.62 0.00 -1.16 -5.16 121.76 112.42 2dm4 s ALA 22 Ca 0.24 1.96 -0.05 0.00 0.00 0.00 0.00 51.96 54.11 2dm4 s ALA 22 Cb 0.21 -1.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.06 2dm4 s ALA 22 CO 0.02 -0.37 0.46 -1.21 0.00 0.00 0.00 175.76 174.65 2dm4 s GLU 23 N 1.65 3.63 -1.46 0.00 2.02 -1.26 -4.30 118.70 118.97 2dm4 s GLU 23 Ca -0.09 -0.06 -0.10 0.00 0.02 0.00 0.00 54.97 54.74 2dm4 s GLU 23 Cb -0.07 -2.76 0.05 0.00 0.10 0.00 0.00 34.13 31.45 2dm4 s GLU 23 CO -0.16 0.36 0.86 0.41 0.02 0.00 0.00 175.26 176.74 2dm4 n GLY 24 N -0.41 -0.51 3.11 -1.39 0.00 -1.26 -4.75 105.19 99.97 2dm4 n GLY 24 Ca -0.02 0.18 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.21 0.76 -0.11 1.61 1.01 -1.26 -0.32 120.40 118.87 2dm4 s VAL 25 Ca 0.52 -1.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 2dm4 s VAL 25 Cb -0.25 -0.85 0.03 0.00 0.00 0.00 0.00 36.38 35.31 2dm4 s VAL 25 CO 0.64 -0.37 -0.04 -0.63 0.00 0.00 0.00 175.10 174.71 2dm4 s ILE 26 N -1.52 0.79 -0.63 2.22 1.01 -0.42 -4.24 121.20 118.42 2dm4 s ILE 26 Ca -0.05 -0.21 -0.20 0.00 0.00 0.00 0.00 60.65 60.18 2dm4 s ILE 26 Cb -0.09 -0.90 0.09 0.00 0.01 0.00 0.00 42.46 41.57 2dm4 s ILE 26 CO 0.01 0.27 0.82 -0.69 0.00 0.00 0.00 174.94 175.34 2dm4 s VAL 27 N 1.80 4.63 -0.13 2.92 1.01 -0.49 -1.71 120.40 128.42 2dm4 s VAL 27 Ca 0.04 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 2dm4 s VAL 27 Cb -0.13 -4.58 -0.05 0.00 0.00 0.00 0.00 36.38 31.63 2dm4 s VAL 27 CO -0.07 -1.27 0.35 -0.83 0.00 0.00 0.00 175.10 173.28 2dm4 s GLY 28 N 3.64 2.29 0.40 4.51 0.00 -0.91 -1.64 107.32 115.61 2dm4 s GLY 28 Ca 0.16 -0.36 0.07 0.00 0.00 0.00 0.00 44.72 44.60 2dm4 s GLY 28 CO 0.07 0.47 0.06 0.30 0.00 0.00 0.00 173.10 174.01 2dm4 s HIS 29 N 0.30 2.55 0.09 1.90 3.76 -0.42 -1.82 115.29 121.64 2dm4 s HIS 29 Ca 0.20 -0.62 -0.12 0.00 -0.15 0.00 0.00 55.06 54.37 2dm4 s HIS 29 Cb -0.14 -1.81 0.04 0.00 1.11 0.00 0.00 32.58 31.79 2dm4 s HIS 29 CO 0.07 0.37 0.58 -2.67 -0.85 0.00 0.00 174.74 172.23 2dm4 n TRP 30 N -1.05 -0.93 -4.42 1.40 2.14 -0.97 -1.70 117.44 111.91 2dm4 n TRP 30 Ca -0.04 -0.66 -0.21 0.00 2.07 0.00 0.00 57.50 58.66 2dm4 n TRP 30 Cb 0.66 0.32 -0.10 0.00 -0.81 0.00 0.00 31.31 31.38 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 -1.56 2.34 0.49 -1.67 0.00 0.37 -4.85 121.76 116.87 2dm4 s ALA 31 Ca 0.13 -1.89 -0.22 0.00 0.00 0.00 0.00 51.96 49.98 2dm4 s ALA 31 Cb -0.01 0.16 -0.07 0.00 0.00 0.00 0.00 23.12 23.20 2dm4 s ALA 31 CO 0.03 -0.06 1.15 -1.25 0.00 0.00 0.00 175.76 175.63 2dm4 s PRO 32 N -3.72 3.63 0.21 0.00 0.04 -1.26 -2.71 135.00 131.19 2dm4 s PRO 32 Ca 0.29 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 2dm4 s PRO 32 Cb 0.03 -2.28 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 2dm4 s PRO 32 CO 0.12 -0.65 1.30 -1.25 0.04 0.00 0.00 177.00 176.55 2dm4 s PRO 33 N -2.89 4.40 0.27 0.56 0.04 -1.26 -4.62 135.00 131.50 2dm4 s PRO 33 Ca 0.67 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.76 2dm4 s PRO 33 Cb -0.27 -3.19 0.63 0.00 0.04 0.00 0.00 34.50 31.71 2dm4 s PRO 33 CO 0.32 -0.22 1.70 0.82 0.04 0.00 0.00 177.00 179.66 2dm4 h ILE 34 N 3.67 0.51 -1.81 0.56 5.03 -1.82 -3.41 117.51 120.24 2dm4 h ILE 34 Ca -0.45 -0.13 0.07 0.00 -0.12 0.00 0.00 64.86 64.23 2dm4 h ILE 34 Cb 1.22 0.09 -0.22 0.00 -3.03 0.00 0.00 36.82 34.88 2dm4 h ILE 34 CO 0.76 0.07 0.04 -2.28 -0.68 0.00 0.00 178.15 176.06 2dm4 s HIS 35 N -5.94 -1.05 0.10 1.37 2.46 -1.26 -5.07 115.29 105.89 2dm4 s HIS 35 Ca -0.12 1.95 0.06 0.00 0.47 0.00 0.00 55.06 57.43 2dm4 s HIS 35 Cb 0.24 0.63 -0.04 0.00 -0.13 0.00 0.00 32.58 33.28 2dm4 s HIS 35 CO 0.77 -0.52 -0.07 0.95 -2.47 0.00 0.00 174.74 173.40 2dm4 s THR 36 N 2.17 3.55 0.17 0.89 -4.23 -1.26 -2.84 115.64 114.08 2dm4 s THR 36 Ca -0.07 -1.20 -0.20 0.00 -1.18 0.00 0.00 61.69 59.04 2dm4 s THR 36 Cb -0.08 -2.67 0.10 0.00 1.34 0.00 0.00 72.50 71.19 2dm4 s THR 36 CO -0.19 0.11 1.61 -0.74 -0.54 0.00 0.00 174.62 174.88 2dm4 h HIS 37 N 3.56 -0.72 -3.25 3.99 2.76 -1.99 -3.44 115.15 116.06 2dm4 h HIS 37 Ca -0.49 0.05 -0.41 0.00 -2.20 0.00 0.00 60.37 57.33 2dm4 h HIS 37 Cb 1.17 0.38 -0.14 0.00 1.55 0.00 0.00 27.41 30.36 2dm4 h HIS 37 CO 0.60 -0.34 -0.63 0.20 -1.30 0.00 0.00 177.93 176.47 2dm4 s GLY 38 N -3.04 1.82 0.07 5.26 0.00 -1.26 -5.10 107.32 105.08 2dm4 s GLY 38 Ca -0.15 -1.92 -0.37 0.00 0.00 0.00 0.00 44.72 42.29 2dm4 s GLY 38 CO 0.69 -1.71 1.37 -0.10 0.00 0.00 0.00 173.10 173.35 2dm4 n LEU 39 N -0.54 1.73 -4.73 0.66 7.94 -1.26 -4.82 117.00 115.98 2dm4 n LEU 39 Ca -0.02 1.12 -0.41 0.00 -1.11 0.00 0.00 56.01 55.58 2dm4 n LEU 39 Cb 0.66 -1.20 -0.03 0.00 0.53 0.00 0.00 43.42 43.37 2dm4 n LEU 39 CO 0.39 -0.99 0.86 -0.63 -1.11 0.00 0.00 177.39 175.91 2dm4 s ILE 40 N 0.62 3.71 -0.21 1.96 1.01 -1.26 -4.07 121.20 122.97 2dm4 s ILE 40 Ca 0.85 1.41 0.01 0.00 0.00 0.00 0.00 60.65 62.93 2dm4 s ILE 40 Cb -0.95 -3.90 -0.14 0.00 0.01 0.00 0.00 42.46 37.48 2dm4 s ILE 40 CO 0.47 0.21 -0.19 0.54 0.00 0.00 0.00 174.94 175.98 2dm4 n ARG 41 N 2.68 0.52 -3.83 2.79 1.74 -1.09 -5.04 116.66 114.44 2dm4 n ARG 41 Ca 0.05 0.12 -0.04 0.00 -0.77 0.00 0.00 57.85 57.21 2dm4 n ARG 41 Cb 0.45 -1.42 0.01 0.00 -1.02 0.00 0.00 32.46 30.48 2dm4 n ARG 41 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2dm4 s GLU 42 N -2.42 1.40 -0.09 5.56 -1.05 -1.26 -5.00 118.70 115.85 2dm4 s GLU 42 Ca -0.28 -0.87 0.02 0.00 -0.15 0.00 0.00 54.97 53.69 2dm4 s GLU 42 Cb 0.07 0.42 0.01 0.00 -0.44 0.00 0.00 34.13 34.20 2dm4 s GLU 42 CO 0.48 -0.65 -0.13 0.71 0.95 0.00 0.00 175.26 176.62 2dm4 s TYR 43 N -2.56 1.70 0.21 4.83 2.02 -0.98 -1.23 117.35 121.35 2dm4 s TYR 43 Ca 0.18 -0.73 -0.11 0.00 -0.37 0.00 0.00 57.07 56.04 2dm4 s TYR 43 Cb -0.03 -1.25 -0.07 0.00 -0.40 0.00 0.00 41.96 40.21 2dm4 s TYR 43 CO 0.05 -0.39 0.54 -1.50 -1.57 0.00 0.00 175.55 172.69 2dm4 s ILE 44 N 0.90 4.92 -0.26 2.71 2.07 -0.62 -0.20 121.20 130.71 2dm4 s ILE 44 Ca -0.09 0.55 -0.00 0.00 -1.41 0.00 0.00 60.65 59.69 2dm4 s ILE 44 Cb -0.15 -3.64 0.08 0.00 0.13 0.00 0.00 42.46 38.87 2dm4 s ILE 44 CO 0.01 0.01 0.02 0.68 -1.91 0.00 0.00 174.94 173.74 2dm4 s VAL 45 N -1.73 1.23 -0.24 4.00 -7.23 -0.17 -1.54 120.40 114.73 2dm4 s VAL 45 Ca 0.45 -1.28 -0.13 0.00 -1.81 0.00 0.00 61.98 59.21 2dm4 s VAL 45 Cb -0.12 -1.72 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 2dm4 s VAL 45 CO 0.21 -0.35 0.25 -1.61 -0.31 0.00 0.00 175.10 173.29 2dm4 s GLU 46 N 1.49 4.07 0.08 4.82 2.02 0.12 -2.85 118.70 128.46 2dm4 s GLU 46 Ca 0.02 -0.11 0.05 0.00 0.02 0.00 0.00 54.97 54.94 2dm4 s GLU 46 Cb -0.18 -3.57 -0.03 0.00 0.10 0.00 0.00 34.13 30.45 2dm4 s GLU 46 CO -0.12 -0.04 -0.13 1.52 0.02 0.00 0.00 175.26 176.51 2dm4 s TYR 47 N 1.34 1.17 -0.04 1.61 1.13 -0.57 0.63 117.35 122.62 2dm4 s TYR 47 Ca 0.11 -0.52 -0.29 0.00 -1.41 0.00 0.00 57.07 54.97 2dm4 s TYR 47 Cb -0.14 -0.65 0.06 0.00 -1.10 0.00 0.00 41.96 40.13 2dm4 s TYR 47 CO 0.07 0.05 0.63 0.45 -2.51 0.00 0.00 175.55 174.24 2dm4 s SER 48 N -2.00 -0.60 -0.09 -0.18 0.15 -0.29 -1.26 113.70 109.44 2dm4 s SER 48 Ca 0.01 0.61 -0.30 0.00 0.70 0.00 0.00 55.95 56.97 2dm4 s SER 48 Cb -0.08 0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 64.73 2dm4 s SER 48 CO 0.02 -0.60 1.04 -0.60 1.20 0.00 0.00 173.24 174.29 2dm4 s ARG 49 N -1.31 4.42 -0.37 5.44 3.52 -1.26 -1.10 118.95 128.29 2dm4 s ARG 49 Ca -0.11 1.45 -0.35 0.00 -0.13 0.00 0.00 55.73 56.59 2dm4 s ARG 49 Cb -0.01 -3.54 -0.15 0.00 -1.56 0.00 0.00 34.95 29.70 2dm4 s ARG 49 CO 0.08 -0.32 1.20 0.45 -0.81 0.00 0.00 175.30 175.91 2dm4 n SER 50 N 4.95 0.88 -0.96 -2.12 2.88 -0.94 -2.56 113.62 115.76 2dm4 n SER 50 Ca 0.09 0.87 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 2dm4 n SER 50 Cb 0.48 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 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 3.07 0.72 3.44 0.46 0.00 -1.26 -5.04 105.19 106.57 2dm4 n GLY 51 Ca 0.24 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.63 -0.71 0.00 1.61 0.01 -1.06 -5.01 113.70 105.91 2dm4 s SER 52 Ca 0.00 1.18 0.15 0.00 1.31 0.00 0.00 55.95 58.60 2dm4 s SER 52 Cb 0.00 1.10 0.85 0.00 0.21 0.00 0.00 66.02 68.18 2dm4 s SER 52 CO 0.00 -0.22 1.56 0.29 0.41 0.00 0.00 173.24 175.28 2dm4 n LYS 53 N 4.36 1.08 -4.45 12.44 4.76 -1.26 -4.78 118.16 130.31 2dm4 n LYS 53 Ca -0.21 -0.12 -0.34 0.00 -2.87 0.00 0.00 58.31 54.77 2dm4 n LYS 53 Cb 0.56 -1.24 -0.10 0.00 -1.84 0.00 0.00 35.03 32.41 2dm4 n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dm4 s MET 54 N -1.97 2.83 -0.02 1.97 0.23 -1.26 -5.12 119.30 115.97 2dm4 s MET 54 Ca 0.23 -0.52 -0.01 0.00 -1.03 0.00 0.00 55.69 54.36 2dm4 s MET 54 Cb 0.11 -2.68 0.01 0.00 -1.53 0.00 0.00 34.83 30.74 2dm4 s MET 54 CO 0.18 0.67 0.03 -1.58 -2.03 0.00 0.00 175.02 172.29 2dm4 s TRP 55 N -0.91 -0.02 -0.23 3.16 0.52 -1.26 -4.63 118.94 115.57 2dm4 s TRP 55 Ca 0.15 0.11 -0.09 0.00 0.02 0.00 0.00 56.10 56.28 2dm4 s TRP 55 Cb -0.11 -0.06 -0.04 0.00 -1.15 0.00 0.00 33.47 32.10 2dm4 s TRP 55 CO 0.04 -0.04 0.12 0.00 0.02 0.00 0.00 176.95 177.09 2dm4 s ALA 56 N 0.35 3.48 -0.04 0.98 0.00 -0.39 -4.90 121.76 121.26 2dm4 s ALA 56 Ca -0.03 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.08 2dm4 s ALA 56 Cb -0.04 -2.19 -0.02 0.00 0.00 0.00 0.00 23.12 20.86 2dm4 s ALA 56 CO -0.01 -0.16 -0.19 -1.54 0.00 0.00 0.00 175.76 173.86 2dm4 s SER 57 N 1.01 3.65 0.02 0.00 1.04 -1.26 -1.50 113.70 116.66 2dm4 s SER 57 Ca 0.06 -0.30 -0.08 0.00 0.48 0.00 0.00 55.95 56.11 2dm4 s SER 57 Cb -0.14 -0.65 0.00 0.00 0.10 0.00 0.00 66.02 65.33 2dm4 s SER 57 CO 0.04 0.34 0.15 0.00 0.98 0.00 0.00 173.24 174.75 2dm4 s GLN 58 N -0.68 0.58 0.31 4.02 -2.07 -1.13 -4.92 119.66 115.76 2dm4 s GLN 58 Ca 0.11 -0.54 -0.20 0.00 -1.82 0.00 0.00 55.36 52.92 2dm4 s GLN 58 Cb -0.10 0.24 -0.09 0.00 -1.09 0.00 0.00 33.01 31.96 2dm4 s GLN 58 CO -0.00 -0.15 0.81 1.03 -1.32 0.00 0.00 175.29 175.66 2dm4 s ARG 59 N -2.00 4.23 -0.02 9.60 3.00 -1.26 -1.00 118.95 131.49 2dm4 s ARG 59 Ca -0.10 0.94 0.01 0.00 0.00 0.00 0.00 55.73 56.58 2dm4 s ARG 59 Cb -0.04 -2.59 0.02 0.00 0.00 0.00 0.00 34.95 32.34 2dm4 s ARG 59 CO -0.01 0.22 -0.01 0.00 0.00 0.00 0.00 175.30 175.49 2dm4 s ALA 60 N -1.81 0.32 -0.10 2.13 0.00 0.72 -4.95 121.76 118.07 2dm4 s ALA 60 Ca 0.52 0.09 -0.13 0.00 0.00 0.00 0.00 51.96 52.44 2dm4 s ALA 60 Cb -0.14 -0.26 -0.10 0.00 0.00 0.00 0.00 23.12 22.62 2dm4 s ALA 60 CO 0.19 -0.03 0.40 0.00 0.00 0.00 0.00 175.76 176.32 2dm4 h ALA 61 N 6.96 -0.08 -2.01 0.00 0.00 -1.85 -2.59 119.26 119.70 2dm4 h ALA 61 Ca -0.39 -0.18 -0.43 0.00 0.00 0.00 0.00 54.91 53.90 2dm4 h ALA 61 Cb 1.15 0.03 0.18 0.00 0.00 0.00 0.00 17.79 19.15 2dm4 h ALA 61 CO 0.48 -0.09 0.29 -1.12 0.00 0.00 0.00 179.25 178.82 2dm4 s SER 62 N -5.68 2.08 -0.13 0.00 0.01 -1.26 -4.84 113.70 103.89 2dm4 s SER 62 Ca -0.08 0.41 -0.00 0.00 1.31 0.00 0.00 55.95 57.59 2dm4 s SER 62 Cb -0.01 -0.53 0.08 0.00 0.21 0.00 0.00 66.02 65.77 2dm4 s SER 62 CO 0.29 -3.38 2.03 0.59 0.41 0.00 0.00 173.24 173.17 2dm4 n ASN 63 N -4.23 5.79 -3.57 2.44 4.13 -1.26 -4.80 115.26 113.76 2dm4 n ASN 63 Ca 0.15 -2.67 -0.06 0.00 1.68 0.00 0.00 54.58 53.68 2dm4 n ASN 63 Cb 0.59 -1.11 -0.03 0.00 -1.54 0.00 0.00 39.78 37.70 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 -0.71 -0.21 0.06 3.10 -0.71 -1.26 -2.29 117.98 115.96 2dm4 s PHE 64 Ca 0.13 0.17 -0.06 0.00 -1.04 0.00 0.00 56.93 56.14 2dm4 s PHE 64 Cb 0.10 0.51 -0.02 0.00 -1.21 0.00 0.00 43.02 42.41 2dm4 s PHE 64 CO -0.00 -0.29 0.10 -0.08 -1.34 0.00 0.00 175.22 173.60 2dm4 s THR 65 N -2.35 0.16 -0.41 -4.49 -1.32 -0.76 -4.75 115.64 101.72 2dm4 s THR 65 Ca 0.07 -1.33 -0.02 0.00 -1.21 0.00 0.00 61.69 59.21 2dm4 s THR 65 Cb -0.01 -1.25 0.11 0.00 -1.51 0.00 0.00 72.50 69.84 2dm4 s THR 65 CO -0.05 -0.73 0.20 -1.61 -2.21 0.00 0.00 174.62 170.21 2dm4 s GLU 66 N -3.47 1.95 -0.69 7.08 2.02 -1.26 -2.15 118.70 122.18 2dm4 s GLU 66 Ca 0.02 -1.89 -0.27 0.00 0.02 0.00 0.00 54.97 52.85 2dm4 s GLU 66 Cb 0.04 -3.53 0.03 0.00 0.10 0.00 0.00 34.13 30.77 2dm4 s GLU 66 CO -0.09 -1.06 1.22 0.42 0.02 0.00 0.00 175.26 175.77 2dm4 s ILE 67 N 0.99 3.87 0.64 -1.63 1.01 -0.70 -4.89 121.20 120.49 2dm4 s ILE 67 Ca 0.09 0.43 0.03 0.00 0.00 0.00 0.00 60.65 61.21 2dm4 s ILE 67 Cb -0.22 -4.84 0.09 0.00 0.01 0.00 0.00 42.46 37.50 2dm4 s ILE 67 CO -0.05 -1.68 0.88 -0.54 0.00 0.00 0.00 174.94 173.55 2dm4 s LYS 68 N 5.34 2.05 -0.57 2.79 1.02 -1.26 -1.30 119.74 127.81 2dm4 s LYS 68 Ca 0.35 -1.22 -0.00 0.00 0.02 0.00 0.00 55.97 55.12 2dm4 s LYS 68 Cb -0.09 -2.47 -0.00 0.00 -0.52 0.00 0.00 37.83 34.75 2dm4 s LYS 68 CO 0.17 -1.10 0.47 0.09 -0.92 0.00 0.00 175.35 174.06 2dm4 n ASN 69 N -2.54 -2.13 -4.58 2.83 3.02 -1.11 -4.95 115.26 105.79 2dm4 n ASN 69 Ca 0.14 -0.30 -0.27 0.00 -0.03 0.00 0.00 54.58 54.12 2dm4 n ASN 69 Cb 0.61 -2.70 -0.10 0.00 -0.61 0.00 0.00 39.78 36.97 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 -4.07 2.64 -0.23 3.41 1.43 0.56 -5.04 118.68 117.38 2dm4 s LEU 70 Ca 0.01 -1.41 -0.09 0.00 -1.03 0.00 0.00 54.13 51.61 2dm4 s LEU 70 Cb -0.00 -0.75 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 2dm4 s LEU 70 CO 0.35 -0.54 0.11 -0.76 0.23 0.00 0.00 176.35 175.74 2dm4 s LEU 71 N -3.68 3.89 0.45 1.79 1.43 -1.26 -4.39 118.68 116.90 2dm4 s LEU 71 Ca 0.32 0.03 -0.25 0.00 -1.03 0.00 0.00 54.13 53.20 2dm4 s LEU 71 Cb 0.09 -2.03 -0.08 0.00 0.03 0.00 0.00 46.19 44.20 2dm4 s LEU 71 CO 0.16 0.08 1.41 0.68 0.23 0.00 0.00 176.35 178.90 2dm4 s VAL 72 N 0.98 2.16 -1.09 -1.59 -7.23 -1.26 -2.96 120.40 109.41 2dm4 s VAL 72 Ca 0.06 0.14 -0.04 0.00 -1.81 0.00 0.00 61.98 60.32 2dm4 s VAL 72 Cb -0.14 -3.08 0.00 0.00 0.56 0.00 0.00 36.38 33.73 2dm4 s VAL 72 CO 0.03 0.02 0.93 0.59 -0.31 0.00 0.00 175.10 176.37 2dm4 n ASN 73 N -0.17 -4.14 -4.03 4.85 3.02 -0.63 -4.89 115.26 109.28 2dm4 n ASN 73 Ca 0.05 -0.48 -0.13 0.00 -0.03 0.00 0.00 54.58 53.99 2dm4 n ASN 73 Cb 0.42 -4.36 -0.12 0.00 -0.61 0.00 0.00 39.78 35.12 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 -3.28 0.42 -0.15 3.41 2.01 -1.15 -4.85 115.64 112.04 2dm4 s THR 74 Ca 0.28 -0.89 -0.28 0.00 0.31 0.00 0.00 61.69 61.11 2dm4 s THR 74 Cb -0.13 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.89 2dm4 s THR 74 CO 0.61 -0.32 0.95 -0.22 -0.69 0.00 0.00 174.62 174.95 2dm4 s LEU 75 N -1.31 4.20 -0.08 4.42 1.98 -1.26 -0.91 118.68 125.72 2dm4 s LEU 75 Ca -0.09 1.39 0.01 0.00 -2.89 0.00 0.00 54.13 52.55 2dm4 s LEU 75 Cb -0.09 -3.45 0.02 0.00 0.66 0.00 0.00 46.19 43.34 2dm4 s LEU 75 CO 0.00 -0.47 -0.10 -0.31 -1.89 0.00 0.00 176.35 173.58 2dm4 s TYR 76 N 2.25 1.45 -0.28 5.38 2.02 -0.00 -2.21 117.35 125.96 2dm4 s TYR 76 Ca 0.44 -0.61 -0.11 0.00 -0.37 0.00 0.00 57.07 56.43 2dm4 s TYR 76 Cb -0.17 -1.12 -0.04 0.00 -0.40 0.00 0.00 41.96 40.22 2dm4 s TYR 76 CO 0.14 -0.36 0.18 0.99 -1.57 0.00 0.00 175.55 174.93 2dm4 s THR 77 N 1.05 5.17 0.17 -0.71 2.01 -0.26 -2.52 115.64 120.56 2dm4 s THR 77 Ca -0.07 0.09 0.09 0.00 0.31 0.00 0.00 61.69 62.11 2dm4 s THR 77 Cb -0.15 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 2dm4 s THR 77 CO -0.01 0.24 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.32 2dm4 s VAL 78 N 1.74 2.93 -0.13 3.82 1.01 -0.95 -1.14 120.40 127.68 2dm4 s VAL 78 Ca 0.07 -1.70 -0.09 0.00 0.00 0.00 0.00 61.98 60.26 2dm4 s VAL 78 Cb -0.16 -2.42 0.04 0.00 0.00 0.00 0.00 36.38 33.85 2dm4 s VAL 78 CO 0.10 -0.06 0.31 0.00 0.00 0.00 0.00 175.10 175.46 2dm4 s ARG 79 N -2.62 0.32 0.16 2.72 1.70 0.20 -2.42 118.95 119.03 2dm4 s ARG 79 Ca 0.22 0.54 0.06 0.00 -0.47 0.00 0.00 55.73 56.08 2dm4 s ARG 79 Cb -0.09 0.05 -0.04 0.00 -0.57 0.00 0.00 34.95 34.30 2dm4 s ARG 79 CO 0.13 -0.10 0.07 0.08 -1.08 0.00 0.00 175.30 174.40 2dm4 s VAL 80 N 0.75 4.14 -0.13 4.99 1.01 -1.26 0.13 120.40 130.02 2dm4 s VAL 80 Ca -0.05 -1.22 -0.12 0.00 0.00 0.00 0.00 61.98 60.59 2dm4 s VAL 80 Cb -0.06 -3.09 0.04 0.00 0.00 0.00 0.00 36.38 33.27 2dm4 s VAL 80 CO -0.05 -0.10 0.36 0.00 0.00 0.00 0.00 175.10 175.31 2dm4 s ALA 81 N -1.72 -0.88 -0.09 5.51 0.00 -0.59 -0.22 121.76 123.78 2dm4 s ALA 81 Ca 0.29 1.03 -0.28 0.00 0.00 0.00 0.00 51.96 52.99 2dm4 s ALA 81 Cb -0.10 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 2dm4 s ALA 81 CO 0.21 -0.17 0.95 0.00 0.00 0.00 0.00 175.76 176.75 2dm4 s ALA 82 N 0.28 3.36 0.07 0.00 0.00 -1.26 -1.59 121.76 122.62 2dm4 s ALA 82 Ca -0.01 0.34 -0.06 0.00 0.00 0.00 0.00 51.96 52.23 2dm4 s ALA 82 Cb -0.03 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 2dm4 s ALA 82 CO -0.00 -0.48 0.33 0.08 0.00 0.00 0.00 175.76 175.69 2dm4 s VAL 83 N 1.69 5.21 0.33 0.00 1.01 -0.36 -2.36 120.40 125.91 2dm4 s VAL 83 Ca 0.47 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.63 2dm4 s VAL 83 Cb -0.19 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2dm4 s VAL 83 CO 0.19 0.22 0.09 0.42 0.00 0.00 0.00 175.10 176.03 2dm4 s THR 84 N -1.46 0.81 0.19 3.92 -4.23 -0.19 -2.67 115.64 112.01 2dm4 s THR 84 Ca 0.34 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.66 2dm4 s THR 84 Cb -0.13 -2.62 0.14 0.00 1.34 0.00 0.00 72.50 71.22 2dm4 s THR 84 CO 0.20 0.00 1.39 -0.24 -0.54 0.00 0.00 174.62 175.43 2dm4 n SER 85 N -0.80 -0.69 0.32 3.99 2.88 -1.26 -0.69 113.62 117.38 2dm4 n SER 85 Ca -0.02 1.57 -0.18 0.00 -1.33 0.00 0.00 58.87 58.91 2dm4 n SER 85 Cb 0.66 -0.31 -0.09 0.00 -0.75 0.00 0.00 64.21 63.72 2dm4 n SER 85 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2dm4 h ARG 86 N 0.00 -0.90 0.00 -1.46 3.08 -1.96 -3.49 114.38 109.65 2dm4 h ARG 86 Ca 0.26 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2dm4 h ARG 86 Cb 0.49 0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2dm4 h ARG 86 CO -0.88 -0.60 0.00 0.41 -1.07 0.00 0.00 179.97 177.83 2dm4 n GLY 87 N -1.52 -0.53 3.76 0.04 0.00 0.13 -5.14 105.19 101.93 2dm4 n GLY 87 Ca -0.12 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 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 -3.04 2.30 0.00 -0.61 1.01 -1.26 -1.02 121.20 118.59 2dm4 s ILE 88 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2dm4 s ILE 88 Cb 0.00 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.33 2dm4 s ILE 88 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.57 2dm4 n GLY 89 N 0.63 3.41 3.77 6.18 0.00 -1.00 -4.89 105.19 113.29 2dm4 n GLY 89 Ca 0.07 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.08 4.45 -0.06 1.61 -0.87 -1.26 -4.90 114.94 113.83 2dm4 s ASN 90 Ca 0.00 1.75 -0.02 0.00 -1.57 0.00 0.00 52.86 53.03 2dm4 s ASN 90 Cb 0.00 -2.47 -0.04 0.00 -0.02 0.00 0.00 41.25 38.73 2dm4 s ASN 90 CO 0.00 -2.06 0.03 0.26 -2.57 0.00 0.00 177.10 172.76 2dm4 s TRP 91 N -2.92 3.21 0.92 2.20 0.52 -1.26 -4.04 118.94 117.57 2dm4 s TRP 91 Ca 0.61 0.21 -0.12 0.00 0.02 0.00 0.00 56.10 56.82 2dm4 s TRP 91 Cb -0.17 -1.77 0.14 0.00 -1.15 0.00 0.00 33.47 30.52 2dm4 s TRP 91 CO 0.56 0.51 1.14 -1.54 0.02 0.00 0.00 176.95 177.64 2dm4 s SER 92 N -1.18 3.44 -0.43 2.95 1.04 0.70 -4.89 113.70 115.32 2dm4 s SER 92 Ca 0.16 0.95 -0.27 0.00 0.48 0.00 0.00 55.95 57.27 2dm4 s SER 92 Cb -0.12 -1.51 -0.05 0.00 0.10 0.00 0.00 66.02 64.45 2dm4 s SER 92 CO 0.06 -2.59 2.17 -1.81 0.98 0.00 0.00 173.24 172.04 2dm4 s ASP 93 N -4.03 5.04 0.11 7.02 1.01 -1.26 -4.67 116.67 119.88 2dm4 s ASP 93 Ca 0.64 1.14 -0.31 0.00 0.71 0.00 0.00 52.55 54.72 2dm4 s ASP 93 Cb -0.15 -2.51 -0.11 0.00 1.01 0.00 0.00 42.92 41.16 2dm4 s ASP 93 CO 0.53 -2.41 1.84 -1.54 0.21 0.00 0.00 175.17 173.80 2dm4 n SER 94 N 13.55 3.98 -4.68 0.27 3.41 -1.26 -4.90 113.62 123.99 2dm4 n SER 94 Ca 0.30 0.98 -0.26 0.00 -0.26 0.00 0.00 58.87 59.63 2dm4 n SER 94 Cb 0.51 -1.53 -0.07 0.00 -0.26 0.00 0.00 64.21 62.86 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 2.84 2.45 0.20 4.33 -0.14 -1.01 -4.95 119.74 123.46 2dm4 s LYS 95 Ca 0.83 -1.12 0.08 0.00 -1.36 0.00 0.00 55.97 54.39 2dm4 s LYS 95 Cb -0.50 -2.36 -0.04 0.00 -1.68 0.00 0.00 37.83 33.25 2dm4 s LYS 95 CO 0.38 0.44 0.04 -1.54 -0.76 0.00 0.00 175.35 173.92 2dm4 s SER 96 N -3.07 4.90 -0.23 2.83 1.04 -1.26 -2.24 113.70 115.67 2dm4 s SER 96 Ca 0.28 -0.40 -0.26 0.00 0.48 0.00 0.00 55.95 56.05 2dm4 s SER 96 Cb -0.09 -1.08 0.07 0.00 0.10 0.00 0.00 66.02 65.03 2dm4 s SER 96 CO 0.19 0.05 0.74 -0.51 0.98 0.00 0.00 173.24 174.69 2dm4 s ILE 97 N -1.92 0.00 -0.55 -1.02 2.07 -1.05 -4.98 121.20 113.76 2dm4 s ILE 97 Ca 0.29 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.37 2dm4 s ILE 97 Cb -0.09 -1.00 0.13 0.00 0.13 0.00 0.00 42.46 41.64 2dm4 s ILE 97 CO 0.20 0.00 0.51 -0.89 -1.91 0.00 0.00 174.94 172.85 2dm4 s THR 98 N 0.07 5.22 1.00 4.00 2.01 -1.26 -0.82 115.64 125.86 2dm4 s THR 98 Ca -0.02 -1.53 -0.19 0.00 0.31 0.00 0.00 61.69 60.26 2dm4 s THR 98 Cb -0.04 -4.34 -0.12 0.00 0.01 0.00 0.00 72.50 68.01 2dm4 s THR 98 CO 0.02 -0.87 -0.76 0.35 -0.69 0.00 0.00 174.62 172.67 2dm4 n THR 99 N 5.21 0.00 -4.35 -0.82 -2.24 -0.09 -4.69 114.28 107.31 2dm4 n THR 99 Ca -0.13 -0.32 -0.21 0.00 -2.27 0.00 0.00 64.05 61.13 2dm4 n THR 99 Cb 0.40 -0.14 -0.11 0.00 -2.10 0.00 0.00 70.33 68.39 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 -2.08 1.84 0.00 2.28 -4.36 -1.26 -1.60 121.20 116.02 2dm4 s ILE 100 Ca 0.43 -2.07 -0.04 0.00 -0.26 0.00 0.00 60.65 58.70 2dm4 s ILE 100 Cb -0.11 -1.95 -0.20 0.00 1.25 0.00 0.00 42.46 41.45 2dm4 s ILE 100 CO 0.75 -0.43 2.89 1.17 0.24 0.00 0.00 174.94 179.56 2dm4 n LYS 101 N -0.04 1.54 0.00 0.37 3.00 -1.26 -4.42 118.16 117.34 2dm4 n LYS 101 Ca -0.10 -0.72 0.00 0.00 -0.00 0.00 0.00 58.31 57.48 2dm4 n LYS 101 Cb 0.59 -1.82 0.00 0.00 0.00 0.00 0.00 35.03 33.80 2dm4 n LYS 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dm4 n GLY 102 N 2.48 3.92 0.10 3.14 0.00 -1.26 -3.32 105.19 110.26 2dm4 n GLY 102 Ca 0.31 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 46.16 2dm4 n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dm4 n SER 103 N 8.13 1.86 0.00 1.61 3.41 -1.26 -4.96 113.62 122.41 2dm4 n SER 103 Ca 0.00 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 2dm4 n SER 103 Cb 0.00 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 2dm4 n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dm4 n GLY 104 N 1.45 3.27 0.16 5.00 0.00 -1.21 -4.96 105.19 108.89 2dm4 n GLY 104 Ca -0.30 -1.02 0.13 0.00 0.00 0.00 0.00 46.02 44.83 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 -4.69 1.61 0.13 -1.99 -3.39 132.00 123.67 2dm4 h PRO 105 Ca 0.00 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.46 2dm4 h PRO 105 Cb 0.00 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 30.75 2dm4 h PRO 105 CO 0.00 0.00 -0.70 -1.12 -0.23 0.00 0.00 178.00 175.95 2dm4 s SER 106 N -4.51 4.80 -0.29 1.44 0.01 -1.26 -5.08 113.70 108.81 2dm4 s SER 106 Ca 0.03 -1.96 -0.14 0.00 1.31 0.00 0.00 55.95 55.19 2dm4 s SER 106 Cb 0.09 -1.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.64 2dm4 s SER 106 CO 0.41 -0.37 0.35 -0.55 0.41 0.00 0.00 173.24 173.50 2dm4 s SER 107 N 1.11 6.20 0.00 2.44 0.15 -1.26 -5.14 113.70 117.20 2dm4 s SER 107 Ca 0.06 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2dm4 s SER 107 Cb -0.20 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2dm4 s SER 107 CO -0.06 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.77