#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 5.68 -0.18 1.61 0.15 -1.26 -4.92 113.70 114.78 2dm4 s SER 2 Ca 0.00 -1.91 -0.15 0.00 0.70 0.00 0.00 55.95 54.60 2dm4 s SER 2 Cb 0.00 -2.00 -0.08 0.00 -1.71 0.00 0.00 66.02 62.23 2dm4 s SER 2 CO 0.00 -0.68 -0.19 -0.24 1.20 0.00 0.00 173.24 173.33 2dm4 n SER 3 N 4.89 1.88 -4.55 5.45 2.88 -1.26 -5.03 113.62 117.87 2dm4 n SER 3 Ca -0.08 0.47 -0.26 0.00 -1.33 0.00 0.00 58.87 57.68 2dm4 n SER 3 Cb 0.41 -0.84 -0.11 0.00 -0.75 0.00 0.00 64.21 62.92 2dm4 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dm4 s GLY 4 N -4.72 2.29 -0.16 0.46 0.00 -1.26 -5.16 107.32 98.77 2dm4 s GLY 4 Ca -0.25 -2.17 -0.13 0.00 0.00 0.00 0.00 44.72 42.16 2dm4 s GLY 4 CO 0.38 -2.01 0.42 -1.35 0.00 0.00 0.00 173.10 170.54 2dm4 s SER 5 N -3.62 -0.46 -1.28 1.64 1.04 -1.26 -4.93 113.70 104.83 2dm4 s SER 5 Ca 0.34 0.86 -0.07 0.00 0.48 0.00 0.00 55.95 57.56 2dm4 s SER 5 Cb 0.07 0.84 0.01 0.00 0.10 0.00 0.00 66.02 67.04 2dm4 s SER 5 CO 0.17 -0.16 0.12 -1.20 0.98 0.00 0.00 173.24 173.15 2dm4 n SER 6 N 3.17 -0.10 -4.75 7.02 7.64 -1.26 -4.83 113.62 120.51 2dm4 n SER 6 Ca -0.15 -1.11 -0.36 0.00 1.01 0.00 0.00 58.87 58.26 2dm4 n SER 6 Cb 0.57 -1.37 0.05 0.00 -1.01 0.00 0.00 64.21 62.44 2dm4 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dm4 s GLY 7 N -4.10 2.68 0.00 0.23 0.00 -1.26 -4.89 107.32 99.97 2dm4 s GLY 7 Ca 0.09 1.00 0.14 0.00 0.00 0.00 0.00 44.72 45.96 2dm4 s GLY 7 CO 0.86 1.40 1.43 -1.55 0.00 0.00 0.00 173.10 175.24 2dm4 n PRO 8 N -1.83 0.08 -0.29 2.90 -0.04 -1.26 -3.45 135.00 131.11 2dm4 n PRO 8 Ca 0.14 0.21 0.11 0.00 -0.04 0.00 0.00 63.50 63.92 2dm4 n PRO 8 Cb 0.50 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.27 -4.35 3.54 1.82 -1.85 -3.19 116.42 112.66 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 0.20 0.14 0.08 0.00 0.68 0.00 0.00 39.33 40.43 2dm4 h ASP 9 CO 0.00 0.01 0.39 0.00 -1.61 0.00 0.00 179.24 178.03 2dm4 s ALA 10 N -5.93 2.86 1.13 -0.78 0.00 -1.22 -4.53 121.76 113.28 2dm4 s ALA 10 Ca -0.12 0.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.75 2dm4 s ALA 10 Cb 0.24 -3.14 0.16 0.00 0.00 0.00 0.00 23.12 20.38 2dm4 s ALA 10 CO 0.77 -1.00 0.57 -0.35 0.00 0.00 0.00 175.76 175.75 2dm4 n PRO 11 N -2.96 -2.12 -3.93 0.00 -0.04 -1.26 -4.35 135.00 120.33 2dm4 n PRO 11 Ca 0.07 -0.91 -0.08 0.00 -0.04 0.00 0.00 63.50 62.54 2dm4 n PRO 11 Cb 0.54 -0.85 -0.04 0.00 -0.04 0.00 0.00 33.50 33.11 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 -4.29 1.63 -0.86 0.54 0.52 -1.08 -4.85 118.95 110.57 2dm4 s ARG 12 Ca 0.37 -1.13 -0.00 0.00 -0.52 0.00 0.00 55.73 54.44 2dm4 s ARG 12 Cb -0.04 0.53 0.00 0.00 0.52 0.00 0.00 34.95 35.96 2dm4 s ARG 12 CO 0.28 -0.71 0.72 -1.71 0.02 0.00 0.00 175.30 173.90 2dm4 n ASN 13 N -0.41 -2.18 -4.65 0.23 5.15 -1.26 0.13 115.26 112.26 2dm4 n ASN 13 Ca -0.03 -0.44 -0.43 0.00 -0.60 0.00 0.00 54.58 53.09 2dm4 n ASN 13 Cb 0.61 -3.78 -0.02 0.00 -0.53 0.00 0.00 39.78 36.05 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 -5.11 4.17 -0.11 1.20 2.96 -1.26 -4.00 118.68 116.53 2dm4 s LEU 14 Ca 0.02 1.89 0.01 0.00 -0.22 0.00 0.00 54.13 55.84 2dm4 s LEU 14 Cb -0.01 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.16 2dm4 s LEU 14 CO 0.52 -0.94 -0.15 -1.58 -1.32 0.00 0.00 176.35 172.88 2dm4 s GLN 15 N 3.98 2.23 -0.10 1.98 0.74 0.06 -4.96 119.66 123.60 2dm4 s GLN 15 Ca 0.66 -0.56 -0.05 0.00 0.05 0.00 0.00 55.36 55.46 2dm4 s GLN 15 Cb -0.27 -1.92 -0.04 0.00 1.10 0.00 0.00 33.01 31.88 2dm4 s GLN 15 CO 0.24 -0.09 0.11 -0.51 -0.55 0.00 0.00 175.29 174.49 2dm4 s LEU 16 N 1.06 4.16 0.28 3.68 2.01 -1.26 -0.13 118.68 128.49 2dm4 s LEU 16 Ca -0.05 0.36 -0.08 0.00 0.01 0.00 0.00 54.13 54.38 2dm4 s LEU 16 Cb -0.15 -2.07 -0.01 0.00 0.01 0.00 0.00 46.19 43.98 2dm4 s LEU 16 CO -0.03 0.38 0.43 -0.44 1.01 0.00 0.00 176.35 177.71 2dm4 s SER 17 N -1.11 0.30 -0.06 2.29 0.01 -0.81 -5.00 113.70 109.31 2dm4 s SER 17 Ca 0.16 -1.20 0.03 0.00 1.31 0.00 0.00 55.95 56.25 2dm4 s SER 17 Cb -0.12 0.59 0.01 0.00 0.21 0.00 0.00 66.02 66.71 2dm4 s SER 17 CO 0.05 -1.17 -0.13 -0.76 0.41 0.00 0.00 173.24 171.65 2dm4 s LEU 18 N -3.12 1.72 0.06 2.44 2.01 -1.26 -1.13 118.68 119.40 2dm4 s LEU 18 Ca 0.27 -0.30 -0.31 0.00 0.01 0.00 0.00 54.13 53.80 2dm4 s LEU 18 Cb 0.00 -0.84 -0.07 0.00 0.01 0.00 0.00 46.19 45.30 2dm4 s LEU 18 CO 0.13 0.06 1.40 -2.16 1.01 0.00 0.00 176.35 176.79 2dm4 s PRO 19 N 0.51 4.30 0.00 1.29 0.04 -1.26 -4.89 135.00 134.99 2dm4 s PRO 19 Ca -0.12 2.03 0.21 0.00 0.04 0.00 0.00 61.00 63.16 2dm4 s PRO 19 Cb -0.14 -3.40 1.22 0.00 0.04 0.00 0.00 34.50 32.22 2dm4 s PRO 19 CO 0.03 -0.50 1.72 2.89 0.04 0.00 0.00 177.00 181.18 2dm4 n ARG 20 N 4.60 0.89 -0.05 4.56 1.85 -1.26 -2.65 116.66 124.59 2dm4 n ARG 20 Ca 0.12 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.99 2dm4 n ARG 20 Cb 0.43 -1.36 0.03 0.00 -1.05 0.00 0.00 32.46 30.50 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 -0.86 1.89 -3.75 2.89 1.02 -1.26 -4.32 120.64 116.24 2dm4 n GLU 21 Ca 0.15 -1.46 -0.13 0.00 -0.02 0.00 0.00 57.16 55.70 2dm4 n GLU 21 Cb 0.07 -0.96 -0.11 0.00 -0.02 0.00 0.00 31.44 30.43 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 -1.08 -0.88 0.16 0.62 0.00 -1.09 -5.12 121.76 114.38 2dm4 s ALA 22 Ca 0.06 1.02 0.04 0.00 0.00 0.00 0.00 51.96 53.08 2dm4 s ALA 22 Cb 0.05 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 2dm4 s ALA 22 CO 0.01 -0.17 0.20 -1.21 0.00 0.00 0.00 175.76 174.58 2dm4 s GLU 23 N 0.24 3.11 -1.35 0.00 2.02 -1.26 -4.44 118.70 117.03 2dm4 s GLU 23 Ca -0.00 -0.78 -0.07 0.00 0.02 0.00 0.00 54.97 54.14 2dm4 s GLU 23 Cb -0.03 -2.76 0.04 0.00 0.10 0.00 0.00 34.13 31.48 2dm4 s GLU 23 CO -0.00 0.49 0.47 0.41 0.02 0.00 0.00 175.26 176.65 2dm4 n GLY 24 N -0.49 -0.50 3.03 -1.39 0.00 -1.26 -4.77 105.19 99.82 2dm4 n GLY 24 Ca -0.08 0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.97 0.86 -0.10 1.61 1.01 -1.26 -1.17 120.40 118.38 2dm4 s VAL 25 Ca 0.32 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.91 2dm4 s VAL 25 Cb -0.16 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.48 2dm4 s VAL 25 CO 0.40 0.26 -0.23 -0.63 0.00 0.00 0.00 175.10 174.89 2dm4 s ILE 26 N -0.03 1.96 -0.47 2.22 1.01 0.79 -4.20 121.20 122.48 2dm4 s ILE 26 Ca 0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.58 2dm4 s ILE 26 Cb -0.07 -1.70 0.11 0.00 0.01 0.00 0.00 42.46 40.81 2dm4 s ILE 26 CO 0.00 0.54 0.36 -0.69 0.00 0.00 0.00 174.94 175.15 2dm4 s VAL 27 N 0.36 4.47 -0.17 2.92 1.01 -0.28 -0.19 120.40 128.52 2dm4 s VAL 27 Ca -0.18 -1.62 -0.16 0.00 0.00 0.00 0.00 61.98 60.02 2dm4 s VAL 27 Cb -0.18 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 2dm4 s VAL 27 CO 0.08 -0.73 0.38 -0.83 0.00 0.00 0.00 175.10 174.00 2dm4 s GLY 28 N 2.75 2.20 0.29 4.51 0.00 -1.10 -1.92 107.32 114.05 2dm4 s GLY 28 Ca 0.05 -0.43 0.10 0.00 0.00 0.00 0.00 44.72 44.44 2dm4 s GLY 28 CO 0.01 0.67 -0.04 0.30 0.00 0.00 0.00 173.10 174.04 2dm4 s HIS 29 N 0.85 2.56 0.17 1.90 3.76 0.82 -2.11 115.29 123.25 2dm4 s HIS 29 Ca 0.20 -0.31 -0.09 0.00 -0.15 0.00 0.00 55.06 54.70 2dm4 s HIS 29 Cb -0.14 -1.25 0.04 0.00 1.11 0.00 0.00 32.58 32.34 2dm4 s HIS 29 CO 0.07 0.59 0.47 -2.67 -0.85 0.00 0.00 174.74 172.35 2dm4 n TRP 30 N -0.86 -1.49 -4.45 1.40 2.14 -0.72 -0.76 117.44 112.71 2dm4 n TRP 30 Ca -0.05 -0.90 -0.22 0.00 2.07 0.00 0.00 57.50 58.40 2dm4 n TRP 30 Cb 0.60 0.45 -0.10 0.00 -0.81 0.00 0.00 31.31 31.45 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 -1.58 2.49 0.45 -1.67 0.00 0.34 -4.82 121.76 116.97 2dm4 s ALA 31 Ca 0.10 -1.90 -0.23 0.00 0.00 0.00 0.00 51.96 49.93 2dm4 s ALA 31 Cb -0.02 0.02 -0.07 0.00 0.00 0.00 0.00 23.12 23.04 2dm4 s ALA 31 CO 0.05 0.04 1.17 -1.25 0.00 0.00 0.00 175.76 175.77 2dm4 s PRO 32 N -3.65 3.78 0.31 0.00 0.04 -1.26 -2.62 135.00 131.59 2dm4 s PRO 32 Ca 0.29 1.78 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 2dm4 s PRO 32 Cb 0.01 -2.43 -0.10 0.00 0.04 0.00 0.00 34.50 32.02 2dm4 s PRO 32 CO 0.12 -0.53 1.23 -1.25 0.04 0.00 0.00 177.00 176.61 2dm4 s PRO 33 N -2.66 4.46 0.15 0.56 0.04 -1.26 -4.65 135.00 131.64 2dm4 s PRO 33 Ca 0.63 2.06 -0.18 0.00 0.04 0.00 0.00 61.00 63.54 2dm4 s PRO 33 Cb -0.29 -3.12 0.04 0.00 0.04 0.00 0.00 34.50 31.18 2dm4 s PRO 33 CO 0.35 -0.04 1.68 0.82 0.04 0.00 0.00 177.00 179.85 2dm4 h ILE 34 N 3.10 0.67 -2.77 0.56 2.04 -1.81 -3.43 117.51 115.86 2dm4 h ILE 34 Ca -0.48 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.25 2dm4 h ILE 34 Cb 1.22 0.67 -0.26 0.00 -0.74 0.00 0.00 36.82 37.70 2dm4 h ILE 34 CO 0.67 0.00 -0.33 -2.28 0.00 0.00 0.00 178.15 176.21 2dm4 s HIS 35 N -6.21 -0.49 0.27 1.37 2.46 -1.26 -5.07 115.29 106.36 2dm4 s HIS 35 Ca -0.14 1.11 0.10 0.00 0.47 0.00 0.00 55.06 56.60 2dm4 s HIS 35 Cb 0.13 0.19 -0.05 0.00 -0.13 0.00 0.00 32.58 32.71 2dm4 s HIS 35 CO 0.70 -0.28 -0.17 0.95 -2.47 0.00 0.00 174.74 173.47 2dm4 s THR 36 N 1.00 2.22 0.15 0.89 -4.23 -1.26 -2.70 115.64 111.70 2dm4 s THR 36 Ca -0.06 -2.32 -0.18 0.00 -1.18 0.00 0.00 61.69 57.95 2dm4 s THR 36 Cb -0.07 -2.28 0.01 0.00 1.34 0.00 0.00 72.50 71.50 2dm4 s THR 36 CO -0.08 -0.42 1.71 -0.74 -0.54 0.00 0.00 174.62 174.56 2dm4 h HIS 37 N 2.31 0.01 -4.01 3.99 2.76 -1.99 -3.46 115.15 114.76 2dm4 h HIS 37 Ca -0.40 0.02 -0.20 0.00 -2.20 0.00 0.00 60.37 57.59 2dm4 h HIS 37 Cb 1.25 0.04 -0.09 0.00 1.55 0.00 0.00 27.41 30.16 2dm4 h HIS 37 CO 0.77 -0.04 -0.21 0.20 -1.30 0.00 0.00 177.93 177.36 2dm4 s GLY 38 N -2.73 1.18 0.10 5.26 0.00 -1.26 -5.12 107.32 104.75 2dm4 s GLY 38 Ca -0.13 -1.33 -0.34 0.00 0.00 0.00 0.00 44.72 42.91 2dm4 s GLY 38 CO 0.70 -0.92 0.81 -0.10 0.00 0.00 0.00 173.10 173.59 2dm4 n LEU 39 N -0.48 -0.55 -4.62 0.66 7.94 -1.26 -4.74 117.00 113.96 2dm4 n LEU 39 Ca 0.00 1.15 -0.41 0.00 -1.11 0.00 0.00 56.01 55.63 2dm4 n LEU 39 Cb 0.62 -0.94 -0.05 0.00 0.53 0.00 0.00 43.42 43.57 2dm4 n LEU 39 CO 0.28 -2.40 0.52 -0.63 -1.11 0.00 0.00 177.39 174.05 2dm4 s ILE 40 N -0.48 4.87 -0.09 1.96 1.01 -1.26 -3.61 121.20 123.61 2dm4 s ILE 40 Ca 0.78 1.19 -0.25 0.00 0.00 0.00 0.00 60.65 62.37 2dm4 s ILE 40 Cb -1.10 -4.06 -0.29 0.00 0.01 0.00 0.00 42.46 37.02 2dm4 s ILE 40 CO 0.56 -0.13 0.84 0.03 0.00 0.00 0.00 174.94 176.24 2dm4 h ARG 41 N 7.99 0.17 -2.73 2.79 3.08 -1.85 -3.50 114.38 120.33 2dm4 h ARG 41 Ca -0.25 -0.30 0.09 0.00 0.07 0.00 0.00 59.98 59.59 2dm4 h ARG 41 Cb 1.11 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 2dm4 h ARG 41 CO 0.84 1.14 0.48 -1.83 -1.07 0.00 0.00 179.97 179.53 2dm4 s GLU 42 N -2.34 1.69 -0.15 0.04 -1.05 -1.26 -5.00 118.70 110.63 2dm4 s GLU 42 Ca -0.16 -1.10 0.00 0.00 -0.15 0.00 0.00 54.97 53.56 2dm4 s GLU 42 Cb -0.01 0.46 0.03 0.00 -0.44 0.00 0.00 34.13 34.17 2dm4 s GLU 42 CO 0.77 -0.79 -0.13 0.71 0.95 0.00 0.00 175.26 176.77 2dm4 s TYR 43 N -2.07 2.12 0.02 4.83 2.02 -0.93 -1.34 117.35 122.00 2dm4 s TYR 43 Ca 0.20 -1.22 -0.23 0.00 -0.37 0.00 0.00 57.07 55.46 2dm4 s TYR 43 Cb -0.04 -1.55 -0.05 0.00 -0.40 0.00 0.00 41.96 39.92 2dm4 s TYR 43 CO 0.08 -0.66 0.68 -1.50 -1.57 0.00 0.00 175.55 172.58 2dm4 s ILE 44 N 1.50 4.81 -0.17 2.71 2.07 -0.45 -0.91 121.20 130.76 2dm4 s ILE 44 Ca 0.04 1.45 0.01 0.00 -1.41 0.00 0.00 60.65 60.74 2dm4 s ILE 44 Cb -0.13 -4.03 0.02 0.00 0.13 0.00 0.00 42.46 38.45 2dm4 s ILE 44 CO -0.10 0.39 -0.19 0.68 -1.91 0.00 0.00 174.94 173.81 2dm4 s VAL 45 N -0.15 1.97 0.00 4.00 -7.23 -0.52 -0.17 120.40 118.30 2dm4 s VAL 45 Ca 0.35 -0.88 0.01 0.00 -1.81 0.00 0.00 61.98 59.64 2dm4 s VAL 45 Cb -0.19 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 2dm4 s VAL 45 CO 0.20 0.53 0.03 -1.61 -0.31 0.00 0.00 175.10 173.94 2dm4 s GLU 46 N 1.31 2.89 0.00 4.82 0.41 0.13 -2.40 118.70 125.85 2dm4 s GLU 46 Ca 0.05 -0.57 -0.05 0.00 -0.41 0.00 0.00 54.97 53.98 2dm4 s GLU 46 Cb -0.13 -2.74 -0.00 0.00 -1.78 0.00 0.00 34.13 29.48 2dm4 s GLU 46 CO -0.12 0.63 0.10 1.52 -0.49 0.00 0.00 175.26 176.90 2dm4 s TYR 47 N -1.14 0.07 -0.29 1.61 1.13 -0.94 -0.25 117.35 117.54 2dm4 s TYR 47 Ca 0.21 -0.17 -0.13 0.00 -1.41 0.00 0.00 57.07 55.58 2dm4 s TYR 47 Cb -0.12 -0.07 0.11 0.00 -1.10 0.00 0.00 41.96 40.78 2dm4 s TYR 47 CO 0.12 -0.24 0.67 0.45 -2.51 0.00 0.00 175.55 174.04 2dm4 s SER 48 N -1.25 -1.06 0.13 -0.18 0.15 -0.86 -1.76 113.70 108.87 2dm4 s SER 48 Ca -0.13 1.55 -0.35 0.00 0.70 0.00 0.00 55.95 57.71 2dm4 s SER 48 Cb -0.07 1.92 -0.15 0.00 -1.71 0.00 0.00 66.02 66.00 2dm4 s SER 48 CO 0.01 -0.23 1.49 -1.14 1.20 0.00 0.00 173.24 174.57 2dm4 n ARG 49 N 4.97 1.79 -0.63 5.44 0.63 -1.26 -3.11 116.66 124.48 2dm4 n ARG 49 Ca -0.15 0.64 0.48 0.00 -0.92 0.00 0.00 57.85 57.90 2dm4 n ARG 49 Cb 0.53 -2.37 0.73 0.00 0.45 0.00 0.00 32.46 31.81 2dm4 n ARG 49 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2dm4 n SER 50 N 3.11 0.00 -3.20 6.15 2.88 -0.98 0.00 113.62 121.58 2dm4 n SER 50 Ca 0.17 0.89 -0.34 0.00 -1.33 0.00 0.00 58.87 58.26 2dm4 n SER 50 Cb 0.25 -0.44 -0.01 0.00 -0.75 0.00 0.00 64.21 63.26 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 -1.82 5.86 3.64 0.46 0.00 -1.26 -4.96 105.19 107.11 2dm4 n GLY 51 Ca 0.40 -2.68 -0.05 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.42 -0.21 0.00 1.61 0.01 0.10 -5.02 113.70 107.76 2dm4 s SER 52 Ca 0.45 0.40 0.17 0.00 1.31 0.00 0.00 55.95 58.28 2dm4 s SER 52 Cb 0.26 0.50 0.50 0.00 0.21 0.00 0.00 66.02 67.48 2dm4 s SER 52 CO -0.16 -0.07 1.41 0.29 0.41 0.00 0.00 173.24 175.12 2dm4 n LYS 53 N 2.03 2.13 -3.09 12.44 4.01 -1.26 -4.48 118.16 129.94 2dm4 n LYS 53 Ca -0.12 -1.75 -0.43 0.00 -0.51 0.00 0.00 58.31 55.51 2dm4 n LYS 53 Cb 0.56 -1.41 -0.07 0.00 -0.51 0.00 0.00 35.03 33.61 2dm4 n LYS 53 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2dm4 s MET 54 N -1.43 3.33 -0.21 1.97 0.23 -1.26 -5.04 119.30 116.89 2dm4 s MET 54 Ca 0.34 -0.30 -0.05 0.00 -1.03 0.00 0.00 55.69 54.65 2dm4 s MET 54 Cb 0.18 -3.93 -0.02 0.00 -1.53 0.00 0.00 34.83 29.53 2dm4 s MET 54 CO 0.25 -0.99 -0.01 -1.58 -2.03 0.00 0.00 175.02 170.65 2dm4 s TRP 55 N 2.86 3.01 -0.20 3.16 0.52 -1.26 -4.41 118.94 122.61 2dm4 s TRP 55 Ca 0.24 -0.62 -0.08 0.00 0.02 0.00 0.00 56.10 55.66 2dm4 s TRP 55 Cb -0.14 -2.10 -0.04 0.00 -1.15 0.00 0.00 33.47 30.04 2dm4 s TRP 55 CO 0.19 -0.36 0.07 0.00 0.02 0.00 0.00 176.95 176.88 2dm4 s ALA 56 N 1.22 3.37 0.10 0.98 0.00 -0.73 -4.88 121.76 121.82 2dm4 s ALA 56 Ca 0.03 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.18 2dm4 s ALA 56 Cb -0.15 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 2dm4 s ALA 56 CO 0.01 -0.01 0.04 -1.54 0.00 0.00 0.00 175.76 174.26 2dm4 s SER 57 N 0.73 5.25 -0.00 0.00 1.04 -1.26 -2.21 113.70 117.24 2dm4 s SER 57 Ca 0.04 -0.12 -0.16 0.00 0.48 0.00 0.00 55.95 56.19 2dm4 s SER 57 Cb -0.13 -1.32 0.03 0.00 0.10 0.00 0.00 66.02 64.70 2dm4 s SER 57 CO 0.02 0.16 0.35 0.00 0.98 0.00 0.00 173.24 174.75 2dm4 s GLN 58 N -2.44 0.75 0.21 4.02 -2.07 -1.01 -4.96 119.66 114.16 2dm4 s GLN 58 Ca 0.28 -0.21 -0.27 0.00 -1.82 0.00 0.00 55.36 53.33 2dm4 s GLN 58 Cb -0.12 0.33 -0.09 0.00 -1.09 0.00 0.00 33.01 32.05 2dm4 s GLN 58 CO 0.20 -0.22 0.86 1.03 -1.32 0.00 0.00 175.29 175.84 2dm4 s ARG 59 N -1.60 4.69 -0.10 9.60 3.00 -1.26 -1.44 118.95 131.84 2dm4 s ARG 59 Ca -0.11 1.30 0.01 0.00 0.00 0.00 0.00 55.73 56.93 2dm4 s ARG 59 Cb -0.04 -3.23 0.02 0.00 0.00 0.00 0.00 34.95 31.70 2dm4 s ARG 59 CO 0.03 0.53 -0.12 0.00 0.00 0.00 0.00 175.30 175.74 2dm4 s ALA 60 N -1.20 1.47 -0.04 2.13 0.00 -0.09 -4.95 121.76 119.07 2dm4 s ALA 60 Ca 0.39 -0.60 -0.22 0.00 0.00 0.00 0.00 51.96 51.54 2dm4 s ALA 60 Cb -0.24 -0.80 -0.16 0.00 0.00 0.00 0.00 23.12 21.93 2dm4 s ALA 60 CO 0.28 -0.15 0.94 0.00 0.00 0.00 0.00 175.76 176.83 2dm4 h ALA 61 N 7.57 -0.26 -3.73 0.00 0.00 -1.86 -2.48 119.26 118.51 2dm4 h ALA 61 Ca -0.31 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.16 2dm4 h ALA 61 Cb 1.16 0.10 0.08 0.00 0.00 0.00 0.00 17.79 19.13 2dm4 h ALA 61 CO 0.46 -0.35 0.17 0.43 0.00 0.00 0.00 179.25 179.96 2dm4 n SER 62 N -4.96 0.21 -1.33 0.00 7.64 -1.26 -4.81 113.62 109.11 2dm4 n SER 62 Ca -0.08 -1.33 -0.06 0.00 1.01 0.00 0.00 58.87 58.42 2dm4 n SER 62 Cb 0.26 -0.46 0.04 0.00 -1.01 0.00 0.00 64.21 63.03 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 -3.31 3.58 -2.76 6.43 4.13 -1.26 -4.81 115.26 117.27 2dm4 n ASN 63 Ca 0.08 -2.41 -0.10 0.00 1.68 0.00 0.00 54.58 53.84 2dm4 n ASN 63 Cb 0.29 -0.66 0.01 0.00 -1.54 0.00 0.00 39.78 37.89 2dm4 n ASN 63 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 2dm4 n PHE 64 N 0.27 -2.03 -3.80 3.10 -1.74 -1.26 -1.75 117.46 110.24 2dm4 n PHE 64 Ca 0.13 -1.92 -0.05 0.00 -0.56 0.00 0.00 57.45 55.05 2dm4 n PHE 64 Cb 0.72 0.77 -0.01 0.00 1.52 0.00 0.00 39.48 42.49 2dm4 n PHE 64 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 2dm4 s THR 65 N -2.35 0.00 -0.31 1.97 -1.32 -0.90 -4.66 115.64 108.08 2dm4 s THR 65 Ca 0.19 -0.79 -0.01 0.00 -1.21 0.00 0.00 61.69 59.87 2dm4 s THR 65 Cb -0.04 -2.15 0.10 0.00 -1.51 0.00 0.00 72.50 68.90 2dm4 s THR 65 CO 0.14 0.00 0.09 -1.61 -2.21 0.00 0.00 174.62 171.03 2dm4 s GLU 66 N -3.30 0.76 -0.60 7.08 2.02 -1.26 -2.71 118.70 120.69 2dm4 s GLU 66 Ca 0.13 -1.11 -0.24 0.00 0.02 0.00 0.00 54.97 53.76 2dm4 s GLU 66 Cb -0.03 -2.06 0.05 0.00 0.10 0.00 0.00 34.13 32.18 2dm4 s GLU 66 CO 0.05 -0.98 1.00 0.42 0.02 0.00 0.00 175.26 175.77 2dm4 s ILE 67 N 1.58 4.28 0.32 -1.63 1.01 0.74 -4.88 121.20 122.62 2dm4 s ILE 67 Ca 0.10 0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.97 2dm4 s ILE 67 Cb -0.17 -4.63 0.06 0.00 0.01 0.00 0.00 42.46 37.73 2dm4 s ILE 67 CO -0.24 -1.29 0.44 0.29 0.00 0.00 0.00 174.94 174.14 2dm4 n LYS 68 N 7.79 0.69 -3.14 2.79 5.02 -1.26 -0.15 118.16 129.90 2dm4 n LYS 68 Ca 0.01 -1.61 -0.14 0.00 -2.02 0.00 0.00 58.31 54.55 2dm4 n LYS 68 Cb 0.47 -0.17 0.07 0.00 -0.02 0.00 0.00 35.03 35.38 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 -2.70 -2.82 -4.66 4.39 3.02 -1.04 -4.92 115.26 106.52 2dm4 n ASN 69 Ca 0.09 -0.46 -0.30 0.00 -0.03 0.00 0.00 54.58 53.89 2dm4 n ASN 69 Cb 0.32 -4.00 -0.10 0.00 -0.61 0.00 0.00 39.78 35.39 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 -5.42 2.63 -0.29 3.41 1.43 -0.32 -5.06 118.68 115.07 2dm4 s LEU 70 Ca 0.11 -1.48 -0.11 0.00 -1.03 0.00 0.00 54.13 51.61 2dm4 s LEU 70 Cb -0.05 -0.81 -0.05 0.00 0.03 0.00 0.00 46.19 45.32 2dm4 s LEU 70 CO 0.55 -0.61 0.21 -0.76 0.23 0.00 0.00 176.35 175.98 2dm4 s LEU 71 N -3.76 4.07 0.41 1.79 1.43 -1.26 -4.45 118.68 116.91 2dm4 s LEU 71 Ca 0.24 -0.03 -0.26 0.00 -1.03 0.00 0.00 54.13 53.05 2dm4 s LEU 71 Cb 0.07 -2.14 -0.10 0.00 0.03 0.00 0.00 46.19 44.05 2dm4 s LEU 71 CO 0.12 -0.08 1.32 1.33 0.23 0.00 0.00 176.35 179.27 2dm4 n VAL 72 N 5.07 2.49 -3.31 -1.59 0.24 -1.26 -2.76 118.33 117.20 2dm4 n VAL 72 Ca -0.13 -0.50 -0.17 0.00 -2.04 0.00 0.00 64.34 61.50 2dm4 n VAL 72 Cb 0.52 -1.64 0.07 0.00 -1.47 0.00 0.00 33.84 31.32 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 0.23 -3.55 -3.85 -1.34 3.02 -0.75 -4.88 115.26 104.13 2dm4 n ASN 73 Ca 0.06 -0.50 -0.12 0.00 -0.03 0.00 0.00 54.58 53.99 2dm4 n ASN 73 Cb 0.39 -4.42 -0.13 0.00 -0.61 0.00 0.00 39.78 35.01 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 -3.29 0.01 -0.04 3.41 2.01 -1.11 -4.88 115.64 111.74 2dm4 s THR 74 Ca 0.21 -0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 2dm4 s THR 74 Cb -0.09 -0.12 -0.05 0.00 0.01 0.00 0.00 72.50 72.25 2dm4 s THR 74 CO 0.62 -0.03 1.46 -0.22 -0.69 0.00 0.00 174.62 175.76 2dm4 s LEU 75 N -0.07 4.29 -0.07 4.42 1.98 -1.26 -1.84 118.68 126.13 2dm4 s LEU 75 Ca -0.01 2.08 0.02 0.00 -2.89 0.00 0.00 54.13 53.34 2dm4 s LEU 75 Cb -0.01 -3.55 0.01 0.00 0.66 0.00 0.00 46.19 43.30 2dm4 s LEU 75 CO 0.00 -0.79 -0.13 -0.31 -1.89 0.00 0.00 176.35 173.23 2dm4 s TYR 76 N 3.08 1.56 -0.13 5.38 1.51 -0.85 -2.32 117.35 125.59 2dm4 s TYR 76 Ca 0.65 -0.59 -0.13 0.00 -1.01 0.00 0.00 57.07 55.99 2dm4 s TYR 76 Cb -0.30 -1.13 -0.05 0.00 -0.11 0.00 0.00 41.96 40.36 2dm4 s TYR 76 CO 0.25 -0.30 0.29 0.99 -1.11 0.00 0.00 175.55 175.67 2dm4 s THR 77 N 0.66 5.29 0.01 -0.71 2.01 -1.18 -1.98 115.64 119.73 2dm4 s THR 77 Ca -0.15 0.54 0.06 0.00 0.31 0.00 0.00 61.69 62.46 2dm4 s THR 77 Cb -0.16 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 2dm4 s THR 77 CO 0.04 0.45 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.55 2dm4 s VAL 78 N 0.04 1.38 -0.01 3.82 1.01 0.79 -2.03 120.40 125.41 2dm4 s VAL 78 Ca 0.17 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 2dm4 s VAL 78 Cb -0.13 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.08 2dm4 s VAL 78 CO 0.05 0.30 0.03 0.00 0.00 0.00 0.00 175.10 175.48 2dm4 s ARG 79 N -0.66 0.02 0.01 2.72 1.70 0.66 -0.53 118.95 122.87 2dm4 s ARG 79 Ca 0.06 0.07 0.06 0.00 -0.47 0.00 0.00 55.73 55.45 2dm4 s ARG 79 Cb -0.07 -0.04 -0.03 0.00 -0.57 0.00 0.00 34.95 34.24 2dm4 s ARG 79 CO 0.00 -0.04 -0.16 0.08 -1.08 0.00 0.00 175.30 174.10 2dm4 s VAL 80 N 0.25 2.90 0.01 4.99 1.01 -1.26 0.17 120.40 128.47 2dm4 s VAL 80 Ca -0.02 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.95 2dm4 s VAL 80 Cb -0.03 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 2dm4 s VAL 80 CO -0.01 0.42 -0.08 0.00 0.00 0.00 0.00 175.10 175.43 2dm4 s ALA 81 N -0.87 0.64 -0.33 5.51 0.00 0.76 -0.31 121.76 127.16 2dm4 s ALA 81 Ca 0.14 -0.43 -0.24 0.00 0.00 0.00 0.00 51.96 51.42 2dm4 s ALA 81 Cb -0.11 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.90 2dm4 s ALA 81 CO 0.04 0.12 0.84 0.00 0.00 0.00 0.00 175.76 176.76 2dm4 s ALA 82 N -0.44 3.49 0.14 0.00 0.00 -1.26 -1.34 121.76 122.36 2dm4 s ALA 82 Ca 0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 51.96 51.35 2dm4 s ALA 82 Cb -0.04 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 2dm4 s ALA 82 CO 0.00 -1.36 0.61 0.08 0.00 0.00 0.00 175.76 175.09 2dm4 s VAL 83 N 3.14 4.72 0.35 0.00 1.01 -0.45 -2.48 120.40 126.69 2dm4 s VAL 83 Ca 0.34 1.12 0.04 0.00 0.00 0.00 0.00 61.98 63.48 2dm4 s VAL 83 Cb -0.13 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 2dm4 s VAL 83 CO 0.15 0.35 0.06 0.42 0.00 0.00 0.00 175.10 176.08 2dm4 s THR 84 N -1.34 1.13 0.24 3.92 -4.23 -0.57 -2.78 115.64 112.01 2dm4 s THR 84 Ca 0.36 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.80 2dm4 s THR 84 Cb -0.17 -2.71 0.40 0.00 1.34 0.00 0.00 72.50 71.35 2dm4 s THR 84 CO 0.20 0.00 1.37 -0.24 -0.54 0.00 0.00 174.62 175.41 2dm4 n SER 85 N -0.82 -0.32 0.24 3.99 2.88 -1.24 -1.23 113.62 117.12 2dm4 n SER 85 Ca -0.04 1.51 -0.10 0.00 -1.33 0.00 0.00 58.87 58.92 2dm4 n SER 85 Cb 0.66 -0.45 -0.05 0.00 -0.75 0.00 0.00 64.21 63.62 2dm4 n SER 85 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2dm4 h ARG 86 N 0.00 -0.60 0.00 -1.46 2.43 -1.96 -3.50 114.38 109.29 2dm4 h ARG 86 Ca 0.42 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 2dm4 h ARG 86 Cb 0.64 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 2dm4 h ARG 86 CO -0.90 -0.40 0.00 0.41 -1.51 0.00 0.00 179.97 177.57 2dm4 n GLY 87 N -0.42 -1.01 3.75 2.80 0.00 -0.36 -5.15 105.19 104.80 2dm4 n GLY 87 Ca -0.08 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 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 2.12 0.00 -0.61 1.01 -1.26 -1.51 121.20 117.95 2dm4 s ILE 88 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.74 2dm4 s ILE 88 Cb 0.00 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.43 2dm4 s ILE 88 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.54 2dm4 n GLY 89 N 0.75 0.96 3.86 6.18 0.00 -1.04 -4.89 105.19 111.01 2dm4 n GLY 89 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.26 6.72 -0.08 1.61 -0.87 -1.26 -4.95 114.94 115.85 2dm4 s ASN 90 Ca 0.00 1.13 -0.19 0.00 -1.57 0.00 0.00 52.86 52.23 2dm4 s ASN 90 Cb 0.00 -2.31 -0.04 0.00 -0.02 0.00 0.00 41.25 38.87 2dm4 s ASN 90 CO 0.00 -0.14 0.53 0.26 -2.57 0.00 0.00 177.10 175.17 2dm4 s TRP 91 N -1.90 3.57 0.30 2.20 0.52 -1.26 -4.07 118.94 118.30 2dm4 s TRP 91 Ca 0.51 1.01 -0.29 0.00 0.02 0.00 0.00 56.10 57.35 2dm4 s TRP 91 Cb -0.11 -2.58 -0.10 0.00 -1.15 0.00 0.00 33.47 29.54 2dm4 s TRP 91 CO 0.19 0.23 1.18 -1.54 0.02 0.00 0.00 176.95 177.03 2dm4 s SER 92 N 0.35 7.08 -0.82 2.95 1.04 0.58 -4.81 113.70 120.07 2dm4 s SER 92 Ca 0.28 2.43 -0.27 0.00 0.48 0.00 0.00 55.95 58.87 2dm4 s SER 92 Cb -0.16 -2.63 -0.18 0.00 0.10 0.00 0.00 66.02 63.14 2dm4 s SER 92 CO 0.13 -0.29 2.26 0.47 0.98 0.00 0.00 173.24 176.79 2dm4 n ASP 93 N 1.07 0.27 -4.62 7.02 8.00 -1.26 -4.31 116.55 122.71 2dm4 n ASP 93 Ca -0.01 0.18 -0.45 0.00 0.71 0.00 0.00 54.79 55.22 2dm4 n ASP 93 Cb 0.44 -0.78 -0.02 0.00 -0.02 0.00 0.00 41.12 40.73 2dm4 n ASP 93 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2dm4 n SER 94 N 8.74 1.84 -4.58 -2.24 2.88 -1.26 -4.93 113.62 114.07 2dm4 n SER 94 Ca 0.55 1.17 -0.24 0.00 -1.33 0.00 0.00 58.87 59.02 2dm4 n SER 94 Cb 0.02 -1.33 -0.08 0.00 -0.75 0.00 0.00 64.21 62.07 2dm4 n SER 94 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2dm4 s LYS 95 N -1.03 2.09 0.13 -1.46 -0.14 0.30 -4.91 119.74 114.72 2dm4 s LYS 95 Ca 0.64 -1.47 0.10 0.00 -1.36 0.00 0.00 55.97 53.88 2dm4 s LYS 95 Cb -0.71 -2.06 -0.04 0.00 -1.68 0.00 0.00 37.83 33.34 2dm4 s LYS 95 CO 0.56 0.37 -0.25 -1.54 -0.76 0.00 0.00 175.35 173.73 2dm4 s SER 96 N -3.45 3.17 -0.27 2.83 1.04 -1.26 -0.15 113.70 115.61 2dm4 s SER 96 Ca 0.30 -0.75 -0.15 0.00 0.48 0.00 0.00 55.95 55.83 2dm4 s SER 96 Cb -0.07 -0.21 0.08 0.00 0.10 0.00 0.00 66.02 65.93 2dm4 s SER 96 CO 0.18 0.15 0.66 -0.51 0.98 0.00 0.00 173.24 174.69 2dm4 s ILE 97 N -1.16 -0.11 -0.73 -1.02 2.07 -0.84 -4.96 121.20 114.46 2dm4 s ILE 97 Ca 0.13 0.01 -0.26 0.00 -1.41 0.00 0.00 60.65 59.12 2dm4 s ILE 97 Cb -0.10 -0.97 0.04 0.00 0.13 0.00 0.00 42.46 41.57 2dm4 s ILE 97 CO 0.06 0.00 1.20 -0.89 -1.91 0.00 0.00 174.94 173.40 2dm4 s THR 98 N 1.76 3.89 0.99 4.00 2.01 -1.26 -2.00 115.64 125.03 2dm4 s THR 98 Ca -0.09 0.17 -0.17 0.00 0.31 0.00 0.00 61.69 61.90 2dm4 s THR 98 Cb -0.06 -4.86 -0.08 0.00 0.01 0.00 0.00 72.50 67.51 2dm4 s THR 98 CO -0.19 -1.75 -0.48 0.35 -0.69 0.00 0.00 174.62 171.85 2dm4 n THR 99 N 6.27 0.00 -4.33 -0.82 -2.24 -0.77 -4.71 114.28 107.68 2dm4 n THR 99 Ca 0.02 -0.34 -0.25 0.00 -2.27 0.00 0.00 64.05 61.21 2dm4 n THR 99 Cb 0.48 -0.23 -0.13 0.00 -2.10 0.00 0.00 70.33 68.36 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 -2.13 1.85 -1.24 2.28 -4.36 -1.26 -1.82 121.20 114.52 2dm4 s ILE 100 Ca 0.46 -1.58 -0.18 0.00 -0.26 0.00 0.00 60.65 59.09 2dm4 s ILE 100 Cb -0.15 -1.67 -0.01 0.00 1.25 0.00 0.00 42.46 41.88 2dm4 s ILE 100 CO 0.75 -0.01 2.00 1.17 0.24 0.00 0.00 174.94 179.10 2dm4 n LYS 101 N 1.08 2.50 0.00 0.37 3.00 -1.26 -4.47 118.16 119.38 2dm4 n LYS 101 Ca -0.19 -2.59 0.00 0.00 -0.00 0.00 0.00 58.31 55.53 2dm4 n LYS 101 Cb 0.53 -3.32 0.00 0.00 0.00 0.00 0.00 35.03 32.25 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 4.73 -0.32 3.97 3.14 0.00 -1.26 -4.82 105.19 110.63 2dm4 n GLY 102 Ca 0.50 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.00 4.10 0.00 1.61 1.04 -1.26 -5.03 113.70 110.16 2dm4 s SER 103 Ca 0.00 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2dm4 s SER 103 Cb 0.00 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.88 2dm4 s SER 103 CO 0.00 -2.04 0.00 0.61 0.98 0.00 0.00 173.24 172.79 2dm4 n GLY 104 N -3.08 -0.09 3.73 7.32 0.00 -1.26 -5.06 105.19 106.75 2dm4 n GLY 104 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 0.51 1.49 -0.29 1.61 0.04 -1.26 -5.05 135.00 132.05 2dm4 s PRO 105 Ca 0.00 0.90 -0.00 0.00 0.04 0.00 0.00 61.00 61.94 2dm4 s PRO 105 Cb 0.00 -1.83 0.09 0.00 0.04 0.00 0.00 34.50 32.80 2dm4 s PRO 105 CO 0.00 -2.10 0.06 0.45 0.04 0.00 0.00 177.00 175.45 2dm4 s SER 106 N -3.42 3.98 -0.50 6.66 0.15 -1.26 -5.09 113.70 114.22 2dm4 s SER 106 Ca 0.63 -1.55 -0.21 0.00 0.70 0.00 0.00 55.95 55.52 2dm4 s SER 106 Cb -0.18 -0.99 0.05 0.00 -1.71 0.00 0.00 66.02 63.19 2dm4 s SER 106 CO 0.57 -0.37 0.70 -0.94 1.20 0.00 0.00 173.24 174.40 2dm4 s SER 107 N 1.51 6.27 0.00 5.45 1.04 -1.26 -5.33 113.70 121.38 2dm4 s SER 107 Ca 0.06 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.85 2dm4 s SER 107 Cb -0.18 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2dm4 s SER 107 CO -0.18 -0.94 0.16 0.61 0.98 0.00 0.00 173.24 173.87