#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm3 s SER 2 N 0.00 0.94 -0.34 1.61 0.15 -1.26 -5.04 113.70 109.76 2dm3 s SER 2 Ca 0.00 -0.63 -0.01 0.00 0.70 0.00 0.00 55.95 56.02 2dm3 s SER 2 Cb 0.00 0.04 0.27 0.00 -1.71 0.00 0.00 66.02 64.62 2dm3 s SER 2 CO 0.00 -0.24 1.93 -0.24 1.20 0.00 0.00 173.24 175.89 2dm3 n SER 3 N 1.21 6.07 0.00 5.45 2.88 -1.26 -4.93 113.62 123.04 2dm3 n SER 3 Ca -0.21 -3.11 0.00 0.00 -1.33 0.00 0.00 58.87 54.22 2dm3 n SER 3 Cb 0.56 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 2dm3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm3 n GLY 4 N 0.08 1.38 3.74 0.46 0.00 -1.26 -4.96 105.19 104.62 2dm3 n GLY 4 Ca 0.34 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2dm3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm3 s SER 5 N -4.00 6.41 0.14 1.61 0.01 -1.26 -4.88 113.70 111.73 2dm3 s SER 5 Ca 0.00 2.88 -0.35 0.00 1.31 0.00 0.00 55.95 59.79 2dm3 s SER 5 Cb 0.00 -2.62 -0.15 0.00 0.21 0.00 0.00 66.02 63.46 2dm3 s SER 5 CO 0.00 -0.91 1.42 -0.24 0.41 0.00 0.00 173.24 173.93 2dm3 n SER 6 N 2.84 2.28 0.00 2.44 2.88 -1.26 -4.89 113.62 117.91 2dm3 n SER 6 Ca 0.11 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 2dm3 n SER 6 Cb 0.37 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 2dm3 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm3 n GLY 7 N 2.78 3.72 3.15 0.46 0.00 -1.24 -4.51 105.19 109.56 2dm3 n GLY 7 Ca 0.17 -0.92 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 2dm3 n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dm3 s PHE 8 N -2.00 1.17 0.29 1.61 0.40 -1.23 -4.79 117.98 113.44 2dm3 s PHE 8 Ca 0.00 -0.43 -0.29 0.00 -0.60 0.00 0.00 56.93 55.61 2dm3 s PHE 8 Cb 0.00 -0.67 -0.14 0.00 0.51 0.00 0.00 43.02 42.72 2dm3 s PHE 8 CO 0.00 0.04 1.12 -2.13 0.70 0.00 0.00 175.22 174.95 2dm3 n ARG 9 N 1.45 1.59 -2.08 0.44 0.63 -1.26 -3.86 116.66 113.57 2dm3 n ARG 9 Ca -0.20 0.56 -0.42 0.00 -0.92 0.00 0.00 57.85 56.86 2dm3 n ARG 9 Cb 0.54 -2.01 -0.03 0.00 0.45 0.00 0.00 32.46 31.42 2dm3 n ARG 9 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2dm3 s PRO 10 N -1.49 3.31 -0.06 -0.14 0.04 -1.26 -4.56 135.00 130.84 2dm3 s PRO 10 Ca 0.59 1.23 0.02 0.00 0.04 0.00 0.00 61.00 62.88 2dm3 s PRO 10 Cb -0.67 -4.18 0.02 0.00 0.04 0.00 0.00 34.50 29.70 2dm3 s PRO 10 CO 0.59 -1.89 -0.10 -1.58 0.04 0.00 0.00 177.00 174.07 2dm3 s HIS 11 N 6.81 1.21 -0.58 0.56 2.46 -1.23 -4.46 115.29 120.05 2dm3 s HIS 11 Ca 0.74 -0.42 -0.28 0.00 0.47 0.00 0.00 55.06 55.57 2dm3 s HIS 11 Cb -0.19 -0.92 0.03 0.00 -0.13 0.00 0.00 32.58 31.36 2dm3 s HIS 11 CO 0.32 -0.24 1.27 -0.06 -2.47 0.00 0.00 174.74 173.55 2dm3 s PHE 12 N 0.74 2.49 0.23 3.88 0.08 -1.26 -1.58 117.98 122.55 2dm3 s PHE 12 Ca -0.14 0.40 -0.08 0.00 0.12 0.00 0.00 56.93 57.24 2dm3 s PHE 12 Cb -0.15 -4.49 0.25 0.00 -0.57 0.00 0.00 43.02 38.06 2dm3 s PHE 12 CO 0.03 -1.74 1.86 -0.07 -0.10 0.00 0.00 175.22 175.20 2dm3 h LEU 13 N 12.34 0.83 -7.08 -0.37 3.38 -1.58 -3.41 115.31 119.43 2dm3 h LEU 13 Ca -0.26 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.38 2dm3 h LEU 13 Cb 1.07 -0.18 -0.37 0.00 0.09 0.00 0.00 40.66 41.27 2dm3 h LEU 13 CO 1.19 0.57 -0.66 -1.58 0.09 0.00 0.00 178.44 178.05 2dm3 s GLN 14 N -6.10 0.08 0.03 1.13 0.74 -1.20 -5.01 119.66 109.33 2dm3 s GLN 14 Ca -0.13 0.33 0.08 0.00 0.05 0.00 0.00 55.36 55.69 2dm3 s GLN 14 Cb 0.17 -0.85 -0.03 0.00 1.10 0.00 0.00 33.01 33.40 2dm3 s GLN 14 CO 0.78 -0.48 -0.23 0.00 -0.55 0.00 0.00 175.29 174.82 2dm3 s ALA 15 N 2.27 2.39 1.20 1.58 0.00 -1.26 -1.73 121.76 126.21 2dm3 s ALA 15 Ca 0.04 -1.22 -0.17 0.00 0.00 0.00 0.00 51.96 50.62 2dm3 s ALA 15 Cb -0.14 -0.60 0.25 0.00 0.00 0.00 0.00 23.12 22.63 2dm3 s ALA 15 CO -0.08 0.55 0.88 -0.35 0.00 0.00 0.00 175.76 176.76 2dm3 n PRO 16 N 1.78 -2.74 0.00 0.00 -0.04 -1.26 -5.08 135.00 127.66 2dm3 n PRO 16 Ca -0.17 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 61.89 2dm3 n PRO 16 Cb 0.52 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 2dm3 n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dm3 n GLY 17 N -3.35 3.54 3.65 0.55 0.00 -1.26 -4.91 105.19 103.40 2dm3 n GLY 17 Ca 0.12 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 2dm3 n GLY 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dm3 s ASP 18 N 1.04 5.44 0.23 1.61 -1.08 -1.26 -2.86 116.67 119.80 2dm3 s ASP 18 Ca 0.00 0.10 0.02 0.00 -0.52 0.00 0.00 52.55 52.15 2dm3 s ASP 18 Cb 0.00 -1.80 -0.05 0.00 -1.46 0.00 0.00 42.92 39.61 2dm3 s ASP 18 CO 0.00 0.26 0.05 -0.76 0.52 0.00 0.00 175.17 175.24 2dm3 s LEU 19 N -0.15 1.90 -0.09 -1.34 1.02 -1.22 -5.03 118.68 113.77 2dm3 s LEU 19 Ca 0.06 -1.30 -0.02 0.00 0.02 0.00 0.00 54.13 52.89 2dm3 s LEU 19 Cb -0.12 -0.08 0.03 0.00 0.02 0.00 0.00 46.19 46.05 2dm3 s LEU 19 CO 0.02 -0.64 0.02 -0.89 0.02 0.00 0.00 176.35 174.87 2dm3 s THR 20 N -3.64 0.31 -0.04 5.49 2.01 -1.26 -0.87 115.64 117.65 2dm3 s THR 20 Ca 0.32 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.37 2dm3 s THR 20 Cb 0.07 -0.57 0.02 0.00 0.01 0.00 0.00 72.50 72.04 2dm3 s THR 20 CO 0.10 0.15 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.47 2dm3 s VAL 21 N 1.99 0.32 0.82 3.82 1.01 -0.70 -5.02 120.40 122.64 2dm3 s VAL 21 Ca 0.04 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 2dm3 s VAL 21 Cb -0.13 -0.39 0.08 0.00 0.00 0.00 0.00 36.38 35.94 2dm3 s VAL 21 CO -0.06 0.18 1.10 -1.58 0.00 0.00 0.00 175.10 174.75 2dm3 s GLN 22 N 1.04 1.88 0.30 2.72 0.74 -1.26 -2.82 119.66 122.25 2dm3 s GLN 22 Ca -0.09 1.21 -0.29 0.00 0.05 0.00 0.00 55.36 56.23 2dm3 s GLN 22 Cb -0.14 -1.85 -0.10 0.00 1.10 0.00 0.00 33.01 32.02 2dm3 s GLN 22 CO -0.01 -1.92 1.34 -2.00 -0.55 0.00 0.00 175.29 172.14 2dm3 s GLU 23 N -4.85 4.34 -0.40 1.67 -6.30 -0.06 -3.04 118.70 110.05 2dm3 s GLU 23 Ca 0.63 2.22 -0.01 0.00 -2.50 0.00 0.00 54.97 55.31 2dm3 s GLU 23 Cb -0.18 -3.09 0.00 0.00 0.00 0.00 0.00 34.13 30.85 2dm3 s GLU 23 CO 0.57 -0.25 0.08 0.41 0.02 0.00 0.00 175.26 176.09 2dm3 n GLY 24 N 1.28 0.28 3.55 -1.50 0.00 -0.59 -4.77 105.19 103.44 2dm3 n GLY 24 Ca 0.02 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 2dm3 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm3 s LYS 25 N -4.54 1.84 -0.09 1.61 -0.14 -1.17 -4.78 119.74 112.47 2dm3 s LYS 25 Ca 0.04 -2.06 -0.26 0.00 -1.36 0.00 0.00 55.97 52.33 2dm3 s LYS 25 Cb -0.02 -1.17 -0.03 0.00 -1.68 0.00 0.00 37.83 34.93 2dm3 s LYS 25 CO 0.05 -0.19 0.82 -1.17 -0.76 0.00 0.00 175.35 174.11 2dm3 s LEU 26 N -3.61 4.28 -0.11 3.17 1.98 -1.26 -3.61 118.68 119.52 2dm3 s LEU 26 Ca 0.32 1.31 0.02 0.00 -2.89 0.00 0.00 54.13 52.88 2dm3 s LEU 26 Cb 0.08 -3.27 0.02 0.00 0.66 0.00 0.00 46.19 43.67 2dm3 s LEU 26 CO 0.15 -0.26 -0.14 0.00 -1.89 0.00 0.00 176.35 174.21 2dm3 s ARG 28 N 1.02 1.27 -0.18 0.00 3.52 -1.26 -1.64 118.95 121.68 2dm3 s ARG 28 Ca -0.06 -1.14 -0.05 0.00 -0.13 0.00 0.00 55.73 54.35 2dm3 s ARG 28 Cb -0.15 -1.54 0.09 0.00 -1.56 0.00 0.00 34.95 31.79 2dm3 s ARG 28 CO -0.02 0.37 0.31 -1.64 -0.81 0.00 0.00 175.30 173.51 2dm3 s MET 29 N -1.73 0.23 0.08 5.12 -1.94 -1.06 -5.00 119.30 115.00 2dm3 s MET 29 Ca 0.08 0.70 0.08 0.00 -1.71 0.00 0.00 55.69 54.84 2dm3 s MET 29 Cb -0.10 -0.20 -0.04 0.00 2.01 0.00 0.00 34.83 36.51 2dm3 s MET 29 CO 0.04 -0.40 -0.17 0.16 -0.01 0.00 0.00 175.02 174.64 2dm3 s ASP 30 N 2.47 3.90 -0.10 3.03 1.47 -1.26 -1.18 116.67 125.00 2dm3 s ASP 30 Ca 0.03 -0.48 -0.06 0.00 1.18 0.00 0.00 52.55 53.23 2dm3 s ASP 30 Cb -0.13 -0.61 0.04 0.00 -0.34 0.00 0.00 42.92 41.88 2dm3 s ASP 30 CO -0.11 0.22 0.24 0.00 0.68 0.00 0.00 175.17 176.20 2dm3 s LYS 32 N 0.97 3.60 -0.10 0.00 -0.14 -0.70 -3.40 119.74 119.97 2dm3 s LYS 32 Ca -0.07 -0.21 -0.04 0.00 -1.36 0.00 0.00 55.97 54.29 2dm3 s LYS 32 Cb -0.08 -3.19 0.05 0.00 -1.68 0.00 0.00 37.83 32.93 2dm3 s LYS 32 CO -0.06 0.61 0.21 0.54 -0.76 0.00 0.00 175.35 175.89 2dm3 s VAL 33 N -0.56 -0.15 0.61 3.17 0.11 -1.23 -1.37 120.40 120.98 2dm3 s VAL 33 Ca 0.12 0.21 -0.01 0.00 -2.93 0.00 0.00 61.98 59.37 2dm3 s VAL 33 Cb -0.12 -0.35 0.05 0.00 -1.53 0.00 0.00 36.38 34.43 2dm3 s VAL 33 CO 0.02 0.09 0.86 -0.44 -3.33 0.00 0.00 175.10 172.30 2dm3 s SER 34 N 1.63 5.05 0.00 3.54 0.01 -0.62 -4.77 113.70 118.54 2dm3 s SER 34 Ca -0.05 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.28 2dm3 s SER 34 Cb -0.11 -0.84 0.00 0.00 0.21 0.00 0.00 66.02 65.28 2dm3 s SER 34 CO -0.08 -1.34 0.00 0.61 0.41 0.00 0.00 173.24 172.84 2dm3 n GLY 35 N -2.55 4.33 2.78 3.44 0.00 -1.26 -3.47 105.19 108.46 2dm3 n GLY 35 Ca 0.09 -1.39 -0.15 0.00 0.00 0.00 0.00 46.02 44.57 2dm3 n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dm3 s LEU 36 N 0.00 0.87 0.00 0.99 1.02 -1.25 -3.97 118.68 116.35 2dm3 s LEU 36 Ca 0.00 0.09 -0.06 0.00 0.02 0.00 0.00 54.13 54.18 2dm3 s LEU 36 Cb 0.00 -0.01 0.09 0.00 0.02 0.00 0.00 46.19 46.29 2dm3 s LEU 36 CO 0.00 -0.15 0.30 -0.81 0.02 0.00 0.00 176.35 175.71 2dm3 n PRO 37 N 4.36 -1.63 -1.68 1.29 -0.04 -1.26 -3.48 135.00 132.57 2dm3 n PRO 37 Ca -0.24 -0.49 -0.47 0.00 -0.04 0.00 0.00 63.50 62.26 2dm3 n PRO 37 Cb 0.50 -0.46 -0.04 0.00 -0.04 0.00 0.00 33.50 33.46 2dm3 n PRO 37 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2dm3 n THR 38 N -3.17 0.51 -2.18 0.52 -1.04 -1.25 -4.85 114.28 102.81 2dm3 n THR 38 Ca 0.04 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.05 61.54 2dm3 n THR 38 Cb 0.16 -1.89 -0.03 0.00 -1.82 0.00 0.00 70.33 66.76 2dm3 n THR 38 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2dm3 s PRO 39 N 3.63 4.29 -0.45 -2.82 0.04 -1.26 -4.95 135.00 133.48 2dm3 s PRO 39 Ca 0.90 2.03 -0.21 0.00 0.04 0.00 0.00 61.00 63.75 2dm3 s PRO 39 Cb -0.65 -3.48 0.03 0.00 0.04 0.00 0.00 34.50 30.44 2dm3 s PRO 39 CO 0.48 -0.54 0.69 -0.51 0.04 0.00 0.00 177.00 177.15 2dm3 s ASP 40 N 1.69 6.34 0.08 6.66 1.11 -1.25 -4.88 116.67 126.43 2dm3 s ASP 40 Ca 0.65 -0.30 0.04 0.00 0.18 0.00 0.00 52.55 53.12 2dm3 s ASP 40 Cb -0.34 -2.34 -0.04 0.00 1.07 0.00 0.00 42.92 41.28 2dm3 s ASP 40 CO 0.28 -0.83 0.01 -1.48 1.18 0.00 0.00 175.17 174.33 2dm3 s LEU 41 N 2.96 3.50 -0.06 1.23 2.34 -1.26 -2.54 118.68 124.85 2dm3 s LEU 41 Ca 0.24 -0.15 0.06 0.00 0.06 0.00 0.00 54.13 54.34 2dm3 s LEU 41 Cb -0.14 -2.21 -0.01 0.00 -0.56 0.00 0.00 46.19 43.27 2dm3 s LEU 41 CO 0.20 0.18 -0.23 -0.44 -1.06 0.00 0.00 176.35 175.00 2dm3 s SER 42 N -2.25 3.27 0.23 1.48 0.01 -1.20 -4.92 113.70 110.32 2dm3 s SER 42 Ca 0.26 -0.45 -0.25 0.00 1.31 0.00 0.00 55.95 56.82 2dm3 s SER 42 Cb -0.12 -0.81 -0.09 0.00 0.21 0.00 0.00 66.02 65.22 2dm3 s SER 42 CO 0.18 0.27 0.82 0.26 0.41 0.00 0.00 173.24 175.18 2dm3 s TRP 43 N -0.28 3.80 -0.05 2.43 0.52 -1.26 -3.27 118.94 120.83 2dm3 s TRP 43 Ca 0.00 1.64 -0.00 0.00 0.02 0.00 0.00 56.10 57.77 2dm3 s TRP 43 Cb -0.13 -2.79 0.03 0.00 -1.15 0.00 0.00 33.47 29.42 2dm3 s TRP 43 CO 0.03 0.39 -0.00 -0.65 0.02 0.00 0.00 176.95 176.73 2dm3 s GLN 44 N -1.59 0.51 -0.22 4.98 -0.21 -0.91 -3.54 119.66 118.68 2dm3 s GLN 44 Ca 0.42 0.07 -0.04 0.00 0.02 0.00 0.00 55.36 55.82 2dm3 s GLN 44 Cb -0.21 -0.75 -0.01 0.00 1.00 0.00 0.00 33.01 33.04 2dm3 s GLN 44 CO 0.25 -0.20 -0.03 -1.17 -2.12 0.00 0.00 175.29 172.02 2dm3 s LEU 45 N 1.43 3.00 -1.36 2.90 2.96 0.12 -2.11 118.68 125.63 2dm3 s LEU 45 Ca -0.04 -0.34 -0.05 0.00 -0.22 0.00 0.00 54.13 53.48 2dm3 s LEU 45 Cb -0.13 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.79 2dm3 s LEU 45 CO -0.03 0.00 0.47 -0.67 -1.32 0.00 0.00 176.35 174.80 2dm3 n ASP 46 N 4.66 -1.27 -3.46 3.68 -0.08 -1.26 -0.58 116.55 118.25 2dm3 n ASP 46 Ca -0.18 -1.04 -0.25 0.00 -1.51 0.00 0.00 54.79 51.81 2dm3 n ASP 46 Cb 0.51 -2.95 0.05 0.00 2.34 0.00 0.00 41.12 41.06 2dm3 n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dm3 n GLY 47 N -1.98 -0.52 3.14 0.27 0.00 -1.26 -4.98 105.19 99.86 2dm3 n GLY 47 Ca -0.27 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 2dm3 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm3 s LYS 48 N -6.16 0.55 -0.44 1.61 1.02 0.25 -5.11 119.74 111.45 2dm3 s LYS 48 Ca 0.50 -0.37 -0.28 0.00 0.02 0.00 0.00 55.97 55.84 2dm3 s LYS 48 Cb -0.23 0.23 -0.01 0.00 -0.52 0.00 0.00 37.83 37.29 2dm3 s LYS 48 CO 0.61 -0.14 1.76 -1.25 -0.92 0.00 0.00 175.35 175.41 2dm3 s PRO 49 N -1.46 3.12 -0.18 -1.68 0.04 -1.26 0.13 135.00 133.71 2dm3 s PRO 49 Ca -0.14 1.06 -0.28 0.00 0.04 0.00 0.00 61.00 61.68 2dm3 s PRO 49 Cb -0.07 -4.24 -0.00 0.00 0.04 0.00 0.00 34.50 30.23 2dm3 s PRO 49 CO 0.02 -2.12 0.97 0.54 0.04 0.00 0.00 177.00 176.45 2dm3 s VAL 50 N 7.43 4.77 0.06 -0.36 0.11 -1.23 -4.90 120.40 126.28 2dm3 s VAL 50 Ca 0.72 1.92 0.04 0.00 -2.93 0.00 0.00 61.98 61.73 2dm3 s VAL 50 Cb -0.18 -4.26 -0.04 0.00 -1.53 0.00 0.00 36.38 30.37 2dm3 s VAL 50 CO 0.29 -0.07 0.00 -0.13 -3.33 0.00 0.00 175.10 171.87 2dm3 s ARG 51 N 2.56 2.64 0.12 1.54 0.52 -1.26 -4.84 118.95 120.22 2dm3 s ARG 51 Ca 0.44 -0.76 -0.31 0.00 -0.52 0.00 0.00 55.73 54.57 2dm3 s ARG 51 Cb -0.16 -2.59 -0.08 0.00 0.52 0.00 0.00 34.95 32.64 2dm3 s ARG 51 CO 0.11 0.57 1.36 -1.25 0.02 0.00 0.00 175.30 176.11 2dm3 s PRO 52 N -2.10 4.34 0.34 3.54 0.04 -1.26 -4.81 135.00 135.10 2dm3 s PRO 52 Ca 0.24 2.04 0.07 0.00 0.04 0.00 0.00 61.00 63.39 2dm3 s PRO 52 Cb -0.12 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 2dm3 s PRO 52 CO 0.16 -0.39 0.27 -3.47 0.04 0.00 0.00 177.00 173.61 2dm3 n ASP 53 N 3.79 -0.48 -0.04 6.66 2.03 0.15 -4.92 116.55 123.73 2dm3 n ASP 53 Ca 0.10 -3.21 0.23 0.00 0.52 0.00 0.00 54.79 52.44 2dm3 n ASP 53 Cb 0.43 1.61 0.55 0.00 -0.72 0.00 0.00 41.12 42.99 2dm3 n ASP 53 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2dm3 h SER 54 N 2.01 0.00 0.00 1.67 0.02 -1.95 -1.33 113.55 113.97 2dm3 h SER 54 Ca -0.25 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.28 2dm3 h SER 54 Cb 1.21 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.69 2dm3 h SER 54 CO 0.36 0.00 -2.41 0.00 -1.14 0.00 0.00 176.83 173.64 2dm3 n ALA 55 N -2.22 1.24 -2.62 3.77 0.00 -1.26 -4.74 120.51 114.67 2dm3 n ALA 55 Ca 0.15 -1.06 -0.43 0.00 0.00 0.00 0.00 53.44 52.11 2dm3 n ALA 55 Cb 1.10 0.14 -0.03 0.00 0.00 0.00 0.00 19.45 20.66 2dm3 n ALA 55 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2dm3 s HIS 56 N -2.52 3.15 -0.23 0.00 3.76 -0.50 -1.51 115.29 117.44 2dm3 s HIS 56 Ca -0.37 1.00 0.02 0.00 -0.15 0.00 0.00 55.06 55.55 2dm3 s HIS 56 Cb 0.14 -3.55 0.05 0.00 1.11 0.00 0.00 32.58 30.33 2dm3 s HIS 56 CO 0.47 -0.72 -0.10 0.21 -0.85 0.00 0.00 174.74 173.75 2dm3 s LYS 57 N 3.42 2.03 0.24 1.40 2.20 0.47 0.30 119.74 129.78 2dm3 s LYS 57 Ca 0.40 -1.06 -0.03 0.00 -0.36 0.00 0.00 55.97 54.92 2dm3 s LYS 57 Cb -0.13 -2.64 -0.05 0.00 -1.51 0.00 0.00 37.83 33.51 2dm3 s LYS 57 CO 0.15 -0.52 0.47 -1.64 -0.36 0.00 0.00 175.35 173.45 2dm3 s MET 58 N 1.29 3.58 0.08 4.03 -1.94 -1.26 -0.62 119.30 124.46 2dm3 s MET 58 Ca -0.05 -0.16 0.05 0.00 -1.71 0.00 0.00 55.69 53.82 2dm3 s MET 58 Cb -0.18 -2.75 -0.03 0.00 2.01 0.00 0.00 34.83 33.88 2dm3 s MET 58 CO -0.07 0.32 -0.14 -0.51 -0.01 0.00 0.00 175.02 174.61 2dm3 s LEU 59 N -3.38 2.30 -0.06 -0.03 1.02 -0.86 -4.98 118.68 112.70 2dm3 s LEU 59 Ca 0.41 -0.65 0.00 0.00 0.02 0.00 0.00 54.13 53.91 2dm3 s LEU 59 Cb -0.11 -0.50 0.02 0.00 0.02 0.00 0.00 46.19 45.62 2dm3 s LEU 59 CO 0.29 -0.10 -0.04 -0.69 0.02 0.00 0.00 176.35 175.83 2dm3 s VAL 60 N -1.46 0.56 -0.04 -1.59 1.01 -1.26 -3.52 120.40 114.10 2dm3 s VAL 60 Ca -0.00 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 61.94 2dm3 s VAL 60 Cb -0.09 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 2dm3 s VAL 60 CO 0.02 0.26 -0.16 -0.13 0.00 0.00 0.00 175.10 175.08 2dm3 s ARG 61 N 1.29 2.43 0.06 2.72 0.52 -1.20 -5.01 118.95 119.76 2dm3 s ARG 61 Ca -0.05 -0.74 -0.20 0.00 -0.52 0.00 0.00 55.73 54.23 2dm3 s ARG 61 Cb -0.14 -2.32 -0.08 0.00 0.52 0.00 0.00 34.95 32.93 2dm3 s ARG 61 CO -0.02 0.61 1.31 0.93 0.02 0.00 0.00 175.30 178.16 2dm3 h GLU 62 N 5.36 -0.39 -0.80 3.54 4.39 -2.01 -1.61 114.58 123.06 2dm3 h GLU 62 Ca -0.46 0.03 0.27 0.00 0.34 0.00 0.00 59.36 59.54 2dm3 h GLU 62 Cb 1.15 0.09 -0.15 0.00 -0.10 0.00 0.00 28.75 29.74 2dm3 h GLU 62 CO 0.50 -0.26 0.19 0.09 -1.16 0.00 0.00 179.01 178.36 2dm3 n ASN 63 N -4.17 0.06 0.00 1.42 4.13 -1.26 -4.72 115.26 110.72 2dm3 n ASN 63 Ca -0.05 1.35 0.00 0.00 1.68 0.00 0.00 54.58 57.56 2dm3 n ASN 63 Cb 0.23 -0.56 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 2dm3 n ASN 63 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dm3 n GLY 64 N -1.32 0.32 2.62 7.41 0.00 -0.61 -4.90 105.19 108.70 2dm3 n GLY 64 Ca 0.24 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 2dm3 n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dm3 s VAL 65 N 0.00 -0.07 0.24 1.61 1.01 -1.24 -3.55 120.40 118.40 2dm3 s VAL 65 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 2dm3 s VAL 65 Cb 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 2dm3 s VAL 65 CO 0.00 -0.27 0.45 -1.00 0.00 0.00 0.00 175.10 174.28 2dm3 s HIS 66 N 2.13 3.48 -0.17 5.22 3.76 -1.22 -3.25 115.29 125.24 2dm3 s HIS 66 Ca 0.02 0.43 -0.14 0.00 -0.15 0.00 0.00 55.06 55.22 2dm3 s HIS 66 Cb -0.16 -1.93 0.05 0.00 1.11 0.00 0.00 32.58 31.65 2dm3 s HIS 66 CO -0.09 0.30 0.45 -1.12 -0.85 0.00 0.00 174.74 173.43 2dm3 s SER 67 N -3.22 -0.49 -0.33 1.40 0.01 -1.23 -2.42 113.70 107.41 2dm3 s SER 67 Ca 0.40 0.93 -0.07 0.00 1.31 0.00 0.00 55.95 58.51 2dm3 s SER 67 Cb -0.11 0.91 0.03 0.00 0.21 0.00 0.00 66.02 67.06 2dm3 s SER 67 CO 0.30 -0.17 0.12 -0.22 0.41 0.00 0.00 173.24 173.68 2dm3 s LEU 68 N 0.51 4.28 -0.40 2.44 2.96 -0.33 -2.02 118.68 126.13 2dm3 s LEU 68 Ca -0.02 -0.99 -0.11 0.00 -0.22 0.00 0.00 54.13 52.78 2dm3 s LEU 68 Cb -0.04 -1.90 0.04 0.00 0.50 0.00 0.00 46.19 44.79 2dm3 s LEU 68 CO -0.03 -0.30 0.24 -0.63 -1.32 0.00 0.00 176.35 174.31 2dm3 s ILE 69 N 1.46 4.59 -0.21 6.68 1.01 0.21 -2.56 121.20 132.39 2dm3 s ILE 69 Ca 0.00 -1.00 -0.07 0.00 0.00 0.00 0.00 60.65 59.58 2dm3 s ILE 69 Cb -0.19 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 2dm3 s ILE 69 CO 0.04 -0.33 0.06 -0.63 0.00 0.00 0.00 174.94 174.07 2dm3 s ILE 70 N 1.54 4.56 -0.30 2.92 1.01 -0.65 -0.40 121.20 129.88 2dm3 s ILE 70 Ca 0.02 -0.10 -0.16 0.00 0.00 0.00 0.00 60.65 60.41 2dm3 s ILE 70 Cb -0.20 -3.08 0.17 0.00 0.01 0.00 0.00 42.46 39.36 2dm3 s ILE 70 CO 0.06 0.41 1.08 -0.70 0.00 0.00 0.00 174.94 175.79 2dm3 s GLU 71 N 0.87 0.23 0.62 2.79 -6.30 -0.57 -2.10 118.70 114.23 2dm3 s GLU 71 Ca 0.03 0.49 -0.10 0.00 -2.50 0.00 0.00 54.97 52.89 2dm3 s GLU 71 Cb -0.14 0.20 0.15 0.00 0.00 0.00 0.00 34.13 34.35 2dm3 s GLU 71 CO 0.02 -0.06 0.55 -0.35 0.02 0.00 0.00 175.26 175.44 2dm3 n PRO 72 N 4.25 -2.08 -4.39 4.30 -0.04 -1.26 -4.21 135.00 131.56 2dm3 n PRO 72 Ca -0.12 -0.88 -0.27 0.00 -0.04 0.00 0.00 63.50 62.19 2dm3 n PRO 72 Cb 0.55 -0.82 -0.11 0.00 -0.04 0.00 0.00 33.50 33.08 2dm3 n PRO 72 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2dm3 s VAL 73 N -1.99 2.60 0.30 0.52 1.01 -1.24 -4.88 120.40 116.73 2dm3 s VAL 73 Ca 0.36 -1.96 0.05 0.00 0.00 0.00 0.00 61.98 60.42 2dm3 s VAL 73 Cb -0.03 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 2dm3 s VAL 73 CO 0.27 -0.14 0.18 0.35 0.00 0.00 0.00 175.10 175.76 2dm3 n THR 74 N 0.12 0.00 0.22 3.92 -2.24 -1.26 -1.54 114.28 113.50 2dm3 n THR 74 Ca -0.11 -1.98 0.12 0.00 -2.27 0.00 0.00 64.05 59.81 2dm3 n THR 74 Cb 0.56 0.85 0.32 0.00 -2.10 0.00 0.00 70.33 69.96 2dm3 n THR 74 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2dm3 h SER 75 N 1.51 0.00 1.18 3.42 0.87 -1.96 -3.10 113.55 115.47 2dm3 h SER 75 Ca -0.23 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.18 2dm3 h SER 75 Cb 0.99 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 2dm3 h SER 75 CO 0.35 0.10 -0.71 -0.09 -0.53 0.00 0.00 176.83 175.95 2dm3 h ARG 76 N 0.00 0.00 -0.48 2.24 2.43 -1.99 -3.22 114.38 113.35 2dm3 h ARG 76 Ca -0.00 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.29 2dm3 h ARG 76 Cb 0.90 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 2dm3 h ARG 76 CO 0.01 0.71 0.34 -0.44 -1.51 0.00 0.00 179.97 179.08 2dm3 h ASP 77 N 0.00 0.11 -3.07 -3.80 3.32 -1.95 -3.41 116.42 107.62 2dm3 h ASP 77 Ca -0.01 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 2dm3 h ASP 77 Cb 1.50 -0.02 0.03 0.00 0.22 0.00 0.00 39.33 41.06 2dm3 h ASP 77 CO 0.09 0.06 0.74 0.00 -1.72 0.00 0.00 179.24 178.41 2dm3 s ALA 78 N -5.13 3.61 0.00 3.45 0.00 -1.22 -4.91 121.76 117.56 2dm3 s ALA 78 Ca -0.06 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.08 2dm3 s ALA 78 Cb 0.19 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2dm3 s ALA 78 CO 0.73 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 176.26 2dm3 n GLY 79 N 3.23 -0.54 3.15 0.00 0.00 -1.22 -4.99 105.19 104.82 2dm3 n GLY 79 Ca 0.11 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 2dm3 n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dm3 s ILE 80 N -3.00 4.01 -0.47 -0.61 -1.09 -1.26 -2.92 121.20 115.86 2dm3 s ILE 80 Ca 0.00 -2.56 -0.28 0.00 -2.23 0.00 0.00 60.65 55.57 2dm3 s ILE 80 Cb 0.00 -3.61 0.01 0.00 -1.58 0.00 0.00 42.46 37.28 2dm3 s ILE 80 CO 0.00 -0.86 1.46 -0.31 -1.23 0.00 0.00 174.94 174.00 2dm3 s TYR 81 N 0.38 2.29 -0.18 3.97 1.51 -0.93 -4.07 117.35 120.32 2dm3 s TYR 81 Ca 0.14 0.61 -0.04 0.00 -1.01 0.00 0.00 57.07 56.76 2dm3 s TYR 81 Cb -0.20 -4.32 -0.03 0.00 -0.11 0.00 0.00 41.96 37.30 2dm3 s TYR 81 CO -0.04 -2.05 -0.02 0.99 -1.11 0.00 0.00 175.55 173.33 2dm3 s THR 82 N 5.90 3.92 0.17 -0.71 2.01 -0.90 -2.49 115.64 123.54 2dm3 s THR 82 Ca 0.60 -0.33 0.09 0.00 0.31 0.00 0.00 61.69 62.36 2dm3 s THR 82 Cb -0.13 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 2dm3 s THR 82 CO 0.30 0.46 -0.15 0.00 -0.69 0.00 0.00 174.62 174.53 2dm3 s ILE 84 N -1.56 0.53 -0.53 0.00 1.09 -1.20 -2.33 121.20 117.19 2dm3 s ILE 84 Ca 0.22 -0.85 -0.22 0.00 -1.10 0.00 0.00 60.65 58.70 2dm3 s ILE 84 Cb -0.09 -1.22 0.05 0.00 -1.06 0.00 0.00 42.46 40.14 2dm3 s ILE 84 CO 0.13 -0.45 0.80 0.00 -0.10 0.00 0.00 174.94 175.32 2dm3 s ALA 85 N 1.83 3.26 -0.31 9.38 0.00 -0.19 -3.27 121.76 132.45 2dm3 s ALA 85 Ca 0.04 -1.45 -0.04 0.00 0.00 0.00 0.00 51.96 50.51 2dm3 s ALA 85 Cb -0.17 -3.57 0.04 0.00 0.00 0.00 0.00 23.12 19.42 2dm3 s ALA 85 CO -0.18 -2.21 0.05 0.99 0.00 0.00 0.00 175.76 174.40 2dm3 s THR 86 N 3.37 3.45 0.29 0.00 2.01 -1.05 0.23 115.64 123.94 2dm3 s THR 86 Ca 0.24 -1.13 0.00 0.00 0.31 0.00 0.00 61.69 61.11 2dm3 s THR 86 Cb -0.15 -2.91 0.00 0.00 0.01 0.00 0.00 72.50 69.45 2dm3 s THR 86 CO 0.16 -0.07 0.02 -0.46 -0.69 0.00 0.00 174.62 173.58 2dm3 n ASN 87 N 4.74 2.73 -0.35 3.53 6.94 -0.27 -3.79 115.26 128.79 2dm3 n ASN 87 Ca -0.13 -2.25 0.04 0.00 -0.02 0.00 0.00 54.58 52.22 2dm3 n ASN 87 Cb 0.45 0.18 0.19 0.00 -2.36 0.00 0.00 39.78 38.24 2dm3 n ASN 87 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 2dm3 h ARG 88 N 0.00 1.02 0.59 -3.83 2.47 -1.88 -3.01 114.38 109.74 2dm3 h ARG 88 Ca -0.24 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.39 2dm3 h ARG 88 Cb 0.72 -0.23 0.01 0.00 -1.65 0.00 0.00 29.97 28.82 2dm3 h ARG 88 CO 0.39 0.67 -0.28 0.00 0.56 0.00 0.00 179.97 181.31 2dm3 h ALA 89 N 1.48 -1.17 -3.00 0.04 0.00 -1.84 -3.49 119.26 111.27 2dm3 h ALA 89 Ca 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2dm3 h ALA 89 Cb 0.30 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2dm3 h ALA 89 CO -0.21 -1.12 0.00 0.41 0.00 0.00 0.00 179.25 178.33 2dm3 n GLY 90 N -1.28 2.67 3.43 0.00 0.00 -1.14 -4.95 105.19 103.92 2dm3 n GLY 90 Ca -0.10 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2dm3 n GLY 90 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dm3 s GLN 91 N 3.91 0.84 0.24 1.61 0.74 -1.26 -1.11 119.66 124.63 2dm3 s GLN 91 Ca 0.00 0.29 0.01 0.00 0.05 0.00 0.00 55.36 55.71 2dm3 s GLN 91 Cb 0.00 0.40 -0.05 0.00 1.10 0.00 0.00 33.01 34.46 2dm3 s GLN 91 CO 0.00 -0.22 0.08 1.21 -0.55 0.00 0.00 175.29 175.81 2dm3 s ASN 92 N -0.81 1.19 0.14 6.67 2.47 0.14 -4.87 114.94 119.86 2dm3 s ASN 92 Ca -0.09 -1.34 -0.16 0.00 0.42 0.00 0.00 52.86 51.69 2dm3 s ASN 92 Cb -0.03 0.15 0.03 0.00 -1.45 0.00 0.00 41.25 39.96 2dm3 s ASN 92 CO 0.06 -0.70 0.42 -0.94 -3.72 0.00 0.00 177.10 172.22 2dm3 s SER 93 N -3.28 -0.24 -0.29 -4.21 1.04 -1.26 -1.02 113.70 104.43 2dm3 s SER 93 Ca 0.35 -0.34 -0.20 0.00 0.48 0.00 0.00 55.95 56.24 2dm3 s SER 93 Cb 0.07 0.49 0.15 0.00 0.10 0.00 0.00 66.02 66.83 2dm3 s SER 93 CO 0.12 -0.88 1.06 0.72 0.98 0.00 0.00 173.24 175.24 2dm3 s PHE 94 N -3.81 -0.45 0.24 5.02 -0.12 -0.98 -5.00 117.98 112.88 2dm3 s PHE 94 Ca 0.04 0.98 0.09 0.00 -0.05 0.00 0.00 56.93 57.99 2dm3 s PHE 94 Cb 0.01 0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 2dm3 s PHE 94 CO -0.11 -0.22 0.03 -1.12 -0.05 0.00 0.00 175.22 173.76 2dm3 s SER 95 N 0.75 4.77 0.04 1.98 0.01 -1.26 -2.04 113.70 117.96 2dm3 s SER 95 Ca -0.02 -0.52 -0.14 0.00 1.31 0.00 0.00 55.95 56.58 2dm3 s SER 95 Cb -0.04 -0.98 0.02 0.00 0.21 0.00 0.00 66.02 65.23 2dm3 s SER 95 CO -0.11 0.01 0.31 -1.48 0.41 0.00 0.00 173.24 172.38 2dm3 s LEU 96 N -3.54 0.86 0.12 2.44 0.05 -1.04 -4.96 118.68 112.61 2dm3 s LEU 96 Ca 0.31 -0.18 0.05 0.00 0.05 0.00 0.00 54.13 54.36 2dm3 s LEU 96 Cb -0.07 1.37 -0.04 0.00 -2.05 0.00 0.00 46.19 45.39 2dm3 s LEU 96 CO 0.20 -0.62 0.01 -0.70 -0.55 0.00 0.00 176.35 174.70 2dm3 s GLU 97 N -2.54 2.54 -0.09 1.48 2.12 -1.14 -2.19 118.70 118.89 2dm3 s GLU 97 Ca -0.05 -0.91 -0.04 0.00 0.36 0.00 0.00 54.97 54.33 2dm3 s GLU 97 Cb -0.01 -2.50 0.05 0.00 0.26 0.00 0.00 34.13 31.93 2dm3 s GLU 97 CO -0.03 0.51 0.18 -1.17 -0.54 0.00 0.00 175.26 174.21 2dm3 s LEU 98 N -2.56 -0.12 -0.08 2.70 2.96 -1.15 -3.41 118.68 117.02 2dm3 s LEU 98 Ca 0.27 0.39 -0.05 0.00 -0.22 0.00 0.00 54.13 54.52 2dm3 s LEU 98 Cb -0.11 0.37 -0.04 0.00 0.50 0.00 0.00 46.19 46.91 2dm3 s LEU 98 CO 0.19 -0.24 0.13 -0.69 -1.32 0.00 0.00 176.35 174.41 2dm3 s VAL 99 N 2.31 5.27 -0.04 1.68 1.01 -0.05 -3.41 120.40 127.18 2dm3 s VAL 99 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.02 2dm3 s VAL 99 Cb -0.12 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 32.94 2dm3 s VAL 99 CO -0.06 0.52 -0.05 0.54 0.00 0.00 0.00 175.10 176.04 2dm3 s VAL 100 N -1.10 0.59 -0.23 2.92 0.11 -1.26 -1.72 120.40 119.70 2dm3 s VAL 100 Ca 0.19 -0.17 -0.15 0.00 -2.93 0.00 0.00 61.98 58.92 2dm3 s VAL 100 Cb -0.12 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 2dm3 s VAL 100 CO 0.08 0.23 0.36 0.00 -3.33 0.00 0.00 175.10 172.44 2dm3 s ALA 101 N 0.80 3.57 0.49 1.54 0.00 -1.13 -4.93 121.76 122.11 2dm3 s ALA 101 Ca -0.11 -0.68 -0.23 0.00 0.00 0.00 0.00 51.96 50.94 2dm3 s ALA 101 Cb -0.14 -2.62 -0.07 0.00 0.00 0.00 0.00 23.12 20.29 2dm3 s ALA 101 CO 0.01 -0.41 1.35 0.00 0.00 0.00 0.00 175.76 176.70 2dm3 s ALA 102 N 1.55 3.02 0.34 0.00 0.00 -1.26 -0.89 121.76 124.53 2dm3 s ALA 102 Ca 0.16 1.31 0.14 0.00 0.00 0.00 0.00 51.96 53.58 2dm3 s ALA 102 Cb -0.15 -3.54 1.08 0.00 0.00 0.00 0.00 23.12 20.51 2dm3 s ALA 102 CO 0.08 -1.16 1.66 1.57 0.00 0.00 0.00 175.76 177.91 2dm3 h LYS 103 N 1.95 0.29 -4.99 0.00 -0.00 -1.97 -3.35 116.57 108.50 2dm3 h LYS 103 Ca -0.51 -0.02 -0.65 0.00 -0.00 0.00 0.00 60.65 59.48 2dm3 h LYS 103 Cb 1.28 -0.07 -0.24 0.00 -0.00 0.00 0.00 32.23 33.20 2dm3 h LYS 103 CO 0.59 0.19 -0.65 -1.21 -0.00 0.00 0.00 179.45 178.37 2dm3 s GLU 104 N -5.67 3.58 0.54 0.07 2.02 -1.26 -5.06 118.70 112.92 2dm3 s GLU 104 Ca -0.10 -0.52 -0.19 0.00 0.02 0.00 0.00 54.97 54.18 2dm3 s GLU 104 Cb 0.30 -3.20 -0.06 0.00 0.10 0.00 0.00 34.13 31.27 2dm3 s GLU 104 CO 0.79 -0.15 1.10 0.45 0.02 0.00 0.00 175.26 177.47 2dm3 s SER 105 N 1.47 5.83 0.00 -0.19 0.15 -1.26 -5.04 113.70 114.66 2dm3 s SER 105 Ca 0.05 2.08 0.00 0.00 0.70 0.00 0.00 55.95 58.79 2dm3 s SER 105 Cb -0.15 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2dm3 s SER 105 CO 0.01 -1.14 0.00 0.61 1.20 0.00 0.00 173.24 173.93 2dm3 n GLY 106 N -0.05 -2.86 3.74 9.45 0.00 -1.26 -4.96 105.19 109.26 2dm3 n GLY 106 Ca 0.11 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 2dm3 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm3 s PRO 107 N 0.00 1.72 0.78 1.61 0.04 -1.26 -5.00 135.00 132.89 2dm3 s PRO 107 Ca 0.00 0.98 -0.13 0.00 0.04 0.00 0.00 61.00 61.89 2dm3 s PRO 107 Cb 0.00 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.76 2dm3 s PRO 107 CO 0.00 -1.96 1.17 -1.12 0.04 0.00 0.00 177.00 175.13 2dm3 s SER 108 N -3.41 3.95 0.19 6.66 0.01 -1.26 -5.04 113.70 114.81 2dm3 s SER 108 Ca 0.62 2.24 0.08 0.00 1.31 0.00 0.00 55.95 60.20 2dm3 s SER 108 Cb -0.18 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 2dm3 s SER 108 CO 0.56 -2.42 0.02 -0.94 0.41 0.00 0.00 173.24 170.87 2dm3 s SER 109 N -2.36 4.81 0.00 2.44 1.04 -1.26 -5.30 113.70 113.07 2dm3 s SER 109 Ca 0.71 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.72 2dm3 s SER 109 Cb -0.26 -1.03 0.00 0.00 0.10 0.00 0.00 66.02 64.83 2dm3 s SER 109 CO 0.49 0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.39