#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm3 n SER 2 N 0.00 -2.59 -0.08 1.61 2.88 -1.26 -4.96 113.62 109.21 2dm3 n SER 2 Ca 0.00 -0.21 -0.17 0.00 -1.33 0.00 0.00 58.87 57.16 2dm3 n SER 2 Cb 0.00 -0.89 -0.12 0.00 -0.75 0.00 0.00 64.21 62.44 2dm3 n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dm3 h SER 3 N -2.22 0.00 0.00 -3.46 0.02 -2.01 -3.47 113.55 102.42 2dm3 h SER 3 Ca -0.47 -0.80 0.00 0.00 -0.84 0.00 0.00 61.79 59.68 2dm3 h SER 3 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2dm3 h SER 3 CO 0.32 1.19 0.00 0.61 -1.14 0.00 0.00 176.83 177.82 2dm3 n GLY 4 N 1.54 0.37 3.66 -3.77 0.00 -1.26 -4.97 105.19 100.76 2dm3 n GLY 4 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.00 6.97 -0.48 1.61 0.01 -1.26 -4.90 113.70 114.65 2dm3 s SER 5 Ca 0.00 1.67 -0.44 0.00 1.31 0.00 0.00 55.95 58.50 2dm3 s SER 5 Cb 0.00 -2.54 -0.18 0.00 0.21 0.00 0.00 66.02 63.51 2dm3 s SER 5 CO 0.00 -0.73 2.07 -1.20 0.41 0.00 0.00 173.24 173.78 2dm3 n SER 6 N 6.43 0.97 -4.93 2.44 7.64 -1.26 -4.74 113.62 120.17 2dm3 n SER 6 Ca 0.13 0.73 -0.28 0.00 1.01 0.00 0.00 58.87 60.46 2dm3 n SER 6 Cb 0.45 -0.93 -0.03 0.00 -1.01 0.00 0.00 64.21 62.68 2dm3 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dm3 s GLY 7 N 5.69 1.92 0.02 0.23 0.00 -1.25 -4.65 107.32 109.29 2dm3 s GLY 7 Ca 1.17 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 45.02 2dm3 s GLY 7 CO 0.66 -0.87 -0.09 -1.36 0.00 0.00 0.00 173.10 171.45 2dm3 s PHE 8 N -1.69 0.75 0.27 1.90 0.40 -1.22 -4.74 117.98 113.65 2dm3 s PHE 8 Ca 0.36 -0.29 -0.28 0.00 -0.60 0.00 0.00 56.93 56.11 2dm3 s PHE 8 Cb -0.12 -0.46 -0.14 0.00 0.51 0.00 0.00 43.02 42.81 2dm3 s PHE 8 CO 0.28 -0.02 0.99 -2.13 0.70 0.00 0.00 175.22 175.04 2dm3 n ARG 9 N 2.20 1.25 -2.11 0.44 0.63 -1.26 -3.71 116.66 114.10 2dm3 n ARG 9 Ca -0.17 0.44 -0.43 0.00 -0.92 0.00 0.00 57.85 56.77 2dm3 n ARG 9 Cb 0.56 -1.79 -0.03 0.00 0.45 0.00 0.00 32.46 31.65 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 -1.42 3.74 -0.02 -0.14 0.04 -1.26 -4.57 135.00 131.37 2dm3 s PRO 10 Ca 0.60 1.60 0.01 0.00 0.04 0.00 0.00 61.00 63.25 2dm3 s PRO 10 Cb -0.73 -4.05 0.01 0.00 0.04 0.00 0.00 34.50 29.78 2dm3 s PRO 10 CO 0.59 -1.36 -0.01 -1.58 0.04 0.00 0.00 177.00 174.68 2dm3 s HIS 11 N 5.37 0.27 -0.42 0.56 2.46 -1.01 -4.46 115.29 118.05 2dm3 s HIS 11 Ca 0.72 -0.02 -0.27 0.00 0.47 0.00 0.00 55.06 55.95 2dm3 s HIS 11 Cb -0.24 -0.28 0.02 0.00 -0.13 0.00 0.00 32.58 31.95 2dm3 s HIS 11 CO 0.30 -0.07 1.03 -0.06 -2.47 0.00 0.00 174.74 173.47 2dm3 s PHE 12 N 0.49 2.96 0.04 3.88 0.08 -1.26 -0.81 117.98 123.36 2dm3 s PHE 12 Ca -0.05 0.75 -0.19 0.00 0.12 0.00 0.00 56.93 57.56 2dm3 s PHE 12 Cb -0.07 -4.02 -0.15 0.00 -0.57 0.00 0.00 43.02 38.21 2dm3 s PHE 12 CO -0.01 -1.04 1.29 -0.07 -0.10 0.00 0.00 175.22 175.30 2dm3 h LEU 13 N 10.61 0.51 -7.58 -0.37 3.38 -1.83 -3.43 115.31 116.60 2dm3 h LEU 13 Ca -0.23 -0.56 -0.54 0.00 0.09 0.00 0.00 57.88 56.65 2dm3 h LEU 13 Cb 1.07 -0.15 -0.38 0.00 0.09 0.00 0.00 40.66 41.29 2dm3 h LEU 13 CO 1.05 0.97 -0.79 -1.10 0.09 0.00 0.00 178.44 178.67 2dm3 s GLN 14 N -4.01 1.30 0.04 1.13 -0.21 -1.25 -4.99 119.66 111.66 2dm3 s GLN 14 Ca -0.14 -0.44 0.08 0.00 0.02 0.00 0.00 55.36 54.88 2dm3 s GLN 14 Cb 0.06 -1.91 -0.02 0.00 1.00 0.00 0.00 33.01 32.13 2dm3 s GLN 14 CO 0.79 -0.43 -0.22 0.00 -2.12 0.00 0.00 175.29 173.31 2dm3 s ALA 15 N 1.69 1.84 1.21 6.09 0.00 -1.26 -1.23 121.76 130.10 2dm3 s ALA 15 Ca 0.01 -1.08 -0.18 0.00 0.00 0.00 0.00 51.96 50.71 2dm3 s ALA 15 Cb -0.15 -0.37 0.26 0.00 0.00 0.00 0.00 23.12 22.85 2dm3 s ALA 15 CO -0.08 0.42 0.93 -0.35 0.00 0.00 0.00 175.76 176.68 2dm3 n PRO 16 N 1.90 -2.83 0.00 0.00 -0.04 -1.26 -5.08 135.00 127.69 2dm3 n PRO 16 Ca -0.17 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 61.81 2dm3 n PRO 16 Cb 0.53 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 -3.68 4.86 3.54 0.55 0.00 -1.26 -4.97 105.19 104.24 2dm3 n GLY 17 Ca 0.13 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 2dm3 n GLY 17 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dm3 s ASP 18 N 1.01 6.41 0.19 1.61 -4.77 -1.25 -3.87 116.67 116.00 2dm3 s ASP 18 Ca 0.00 -0.12 0.06 0.00 -3.30 0.00 0.00 52.55 49.19 2dm3 s ASP 18 Cb 0.00 -2.39 -0.04 0.00 -1.09 0.00 0.00 42.92 39.40 2dm3 s ASP 18 CO 0.00 -0.94 0.17 -0.76 0.70 0.00 0.00 175.17 174.34 2dm3 s LEU 19 N 3.34 3.86 -0.14 2.11 2.01 -1.17 -4.97 118.68 123.72 2dm3 s LEU 19 Ca 0.30 -0.14 -0.01 0.00 0.01 0.00 0.00 54.13 54.28 2dm3 s LEU 19 Cb -0.12 -2.44 0.04 0.00 0.01 0.00 0.00 46.19 43.68 2dm3 s LEU 19 CO 0.23 0.03 -0.01 -0.89 1.01 0.00 0.00 176.35 176.72 2dm3 s THR 20 N -1.88 0.68 -0.02 5.49 2.01 -1.26 -0.78 115.64 119.89 2dm3 s THR 20 Ca 0.32 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 62.01 2dm3 s THR 20 Cb -0.09 -0.93 0.01 0.00 0.01 0.00 0.00 72.50 71.50 2dm3 s THR 20 CO 0.24 0.10 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.56 2dm3 s VAL 21 N 1.82 0.25 -0.02 3.82 1.01 -0.89 -5.03 120.40 121.36 2dm3 s VAL 21 Ca 0.02 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 2dm3 s VAL 21 Cb -0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 2dm3 s VAL 21 CO -0.07 0.11 1.02 -1.58 0.00 0.00 0.00 175.10 174.58 2dm3 s GLN 22 N 0.39 4.51 0.07 2.72 0.74 -1.26 -2.61 119.66 124.22 2dm3 s GLN 22 Ca -0.04 1.46 -0.29 0.00 0.05 0.00 0.00 55.36 56.54 2dm3 s GLN 22 Cb -0.07 -3.47 -0.15 0.00 1.10 0.00 0.00 33.01 30.42 2dm3 s GLN 22 CO -0.01 -0.15 0.69 -1.91 -0.55 0.00 0.00 175.29 173.37 2dm3 n GLU 23 N 4.20 0.00 -2.22 1.67 2.13 -0.21 -1.81 120.64 124.40 2dm3 n GLU 23 Ca 0.07 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.87 2dm3 n GLU 23 Cb 0.50 -1.06 0.00 0.00 0.27 0.00 0.00 31.44 31.15 2dm3 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dm3 n GLY 24 N 1.41 0.47 3.54 8.31 0.00 0.26 -4.54 105.19 114.63 2dm3 n GLY 24 Ca 0.16 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.43 1.86 -0.05 1.61 -0.14 -0.75 -4.72 119.74 113.12 2dm3 s LYS 25 Ca 0.02 -2.10 -0.27 0.00 -1.36 0.00 0.00 55.97 52.26 2dm3 s LYS 25 Cb -0.01 -0.99 -0.03 0.00 -1.68 0.00 0.00 37.83 35.13 2dm3 s LYS 25 CO 0.02 -0.29 0.86 -1.17 -0.76 0.00 0.00 175.35 174.02 2dm3 s LEU 26 N -3.61 4.33 -0.06 3.17 1.98 -1.26 -3.08 118.68 120.14 2dm3 s LEU 26 Ca 0.28 1.43 0.04 0.00 -2.89 0.00 0.00 54.13 52.98 2dm3 s LEU 26 Cb 0.06 -3.35 0.00 0.00 0.66 0.00 0.00 46.19 43.56 2dm3 s LEU 26 CO 0.14 -0.23 -0.16 0.00 -1.89 0.00 0.00 176.35 174.20 2dm3 s ARG 28 N 0.31 0.38 -0.15 0.00 3.52 -1.26 -1.82 118.95 119.93 2dm3 s ARG 28 Ca -0.10 0.12 -0.00 0.00 -0.13 0.00 0.00 55.73 55.62 2dm3 s ARG 28 Cb -0.14 -0.67 0.03 0.00 -1.56 0.00 0.00 34.95 32.61 2dm3 s ARG 28 CO 0.04 -0.21 -0.09 -1.64 -0.81 0.00 0.00 175.30 172.58 2dm3 s MET 29 N 1.50 1.77 0.06 5.12 -1.94 -1.14 -5.00 119.30 119.66 2dm3 s MET 29 Ca -0.03 -0.50 0.03 0.00 -1.71 0.00 0.00 55.69 53.48 2dm3 s MET 29 Cb -0.13 -1.98 -0.04 0.00 2.01 0.00 0.00 34.83 34.69 2dm3 s MET 29 CO -0.03 -0.34 0.04 0.16 -0.01 0.00 0.00 175.02 174.84 2dm3 s ASP 30 N 1.58 5.29 -0.21 3.03 -4.77 -1.26 -0.94 116.67 119.39 2dm3 s ASP 30 Ca 0.03 -0.05 -0.11 0.00 -3.30 0.00 0.00 52.55 49.12 2dm3 s ASP 30 Cb -0.14 -1.37 0.07 0.00 -1.09 0.00 0.00 42.92 40.39 2dm3 s ASP 30 CO -0.09 0.21 0.51 0.00 0.70 0.00 0.00 175.17 176.50 2dm3 s LYS 32 N 1.67 3.34 -0.12 0.00 1.02 -0.37 -1.77 119.74 123.51 2dm3 s LYS 32 Ca -0.09 -0.56 -0.07 0.00 0.02 0.00 0.00 55.97 55.27 2dm3 s LYS 32 Cb -0.08 -2.95 0.05 0.00 -0.52 0.00 0.00 37.83 34.33 2dm3 s LYS 32 CO -0.15 0.56 0.30 0.54 -0.92 0.00 0.00 175.35 175.68 2dm3 s VAL 33 N -1.61 -0.03 -0.18 3.17 0.11 -1.09 -2.35 120.40 118.42 2dm3 s VAL 33 Ca 0.34 0.10 -0.08 0.00 -2.93 0.00 0.00 61.98 59.41 2dm3 s VAL 33 Cb -0.12 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 2dm3 s VAL 33 CO 0.27 0.04 0.10 -0.94 -3.33 0.00 0.00 175.10 171.24 2dm3 s SER 34 N 1.08 5.94 0.00 3.54 1.04 0.01 -4.64 113.70 120.68 2dm3 s SER 34 Ca -0.08 0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.55 2dm3 s SER 34 Cb -0.08 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 64.03 2dm3 s SER 34 CO -0.08 0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.96 2dm3 n GLY 35 N 3.29 2.07 2.79 7.32 0.00 -1.26 -2.41 105.19 116.99 2dm3 n GLY 35 Ca -0.17 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 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 0.82 0.00 0.99 2.01 -1.24 -3.74 118.68 117.52 2dm3 s LEU 36 Ca 0.00 -0.04 -0.04 0.00 0.01 0.00 0.00 54.13 54.06 2dm3 s LEU 36 Cb 0.00 -0.31 0.06 0.00 0.01 0.00 0.00 46.19 45.95 2dm3 s LEU 36 CO 0.00 -0.15 0.22 -0.81 1.01 0.00 0.00 176.35 176.62 2dm3 n PRO 37 N 4.66 -1.45 -1.68 1.29 -0.04 -1.26 -3.43 135.00 133.09 2dm3 n PRO 37 Ca -0.16 -0.35 -0.52 0.00 -0.04 0.00 0.00 63.50 62.44 2dm3 n PRO 37 Cb 0.50 -0.33 -0.06 0.00 -0.04 0.00 0.00 33.50 33.58 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 -2.98 0.36 -2.18 0.52 -1.04 -1.25 -4.86 114.28 102.86 2dm3 n THR 38 Ca 0.03 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.05 61.55 2dm3 n THR 38 Cb 0.12 -1.51 -0.03 0.00 -1.82 0.00 0.00 70.33 67.09 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 3.18 4.27 -0.22 -2.82 0.04 -1.26 -4.94 135.00 133.24 2dm3 s PRO 39 Ca 0.92 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 63.71 2dm3 s PRO 39 Cb -0.84 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.12 2dm3 s PRO 39 CO 0.54 -0.60 0.95 0.34 0.04 0.00 0.00 177.00 178.27 2dm3 s ASP 40 N 1.96 7.00 0.10 6.66 -1.08 -1.17 -4.84 116.67 125.30 2dm3 s ASP 40 Ca 0.65 1.25 0.10 0.00 -0.52 0.00 0.00 52.55 54.03 2dm3 s ASP 40 Cb -0.33 -2.50 -0.04 0.00 -1.46 0.00 0.00 42.92 38.60 2dm3 s ASP 40 CO 0.27 -0.58 -0.26 -1.48 0.52 0.00 0.00 175.17 173.64 2dm3 s LEU 41 N 2.94 2.26 -0.03 -1.34 2.34 -1.26 -0.03 118.68 123.57 2dm3 s LEU 41 Ca 0.40 -0.68 0.04 0.00 0.06 0.00 0.00 54.13 53.95 2dm3 s LEU 41 Cb -0.15 -1.19 -0.00 0.00 -0.56 0.00 0.00 46.19 44.28 2dm3 s LEU 41 CO 0.07 0.19 -0.15 -0.44 -1.06 0.00 0.00 176.35 174.97 2dm3 s SER 42 N -1.75 1.86 -0.03 1.48 0.01 -1.13 -4.96 113.70 109.16 2dm3 s SER 42 Ca 0.12 -0.30 -0.25 0.00 1.31 0.00 0.00 55.95 56.84 2dm3 s SER 42 Cb -0.10 -0.44 -0.04 0.00 0.21 0.00 0.00 66.02 65.65 2dm3 s SER 42 CO 0.04 0.14 0.76 0.26 0.41 0.00 0.00 173.24 174.85 2dm3 s TRP 43 N -0.01 3.62 -0.10 2.43 0.52 -1.26 -3.17 118.94 120.97 2dm3 s TRP 43 Ca -0.01 1.37 0.01 0.00 0.02 0.00 0.00 56.10 57.48 2dm3 s TRP 43 Cb -0.10 -2.86 0.02 0.00 -1.15 0.00 0.00 33.47 29.39 2dm3 s TRP 43 CO 0.01 0.11 -0.11 -0.65 0.02 0.00 0.00 176.95 176.33 2dm3 s GLN 44 N 0.67 1.75 -0.25 4.98 1.11 -1.22 -1.96 119.66 124.74 2dm3 s GLN 44 Ca 0.40 -0.38 -0.03 0.00 0.01 0.00 0.00 55.36 55.36 2dm3 s GLN 44 Cb -0.19 -1.61 0.02 0.00 -1.01 0.00 0.00 33.01 30.22 2dm3 s GLN 44 CO 0.21 -0.13 -0.04 -1.17 0.01 0.00 0.00 175.29 174.16 2dm3 s LEU 45 N 1.21 3.19 -1.34 2.90 2.96 0.15 -2.31 118.68 125.44 2dm3 s LEU 45 Ca -0.04 -0.76 -0.08 0.00 -0.22 0.00 0.00 54.13 53.03 2dm3 s LEU 45 Cb -0.14 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.86 2dm3 s LEU 45 CO -0.03 -0.11 1.17 0.47 -1.32 0.00 0.00 176.35 176.52 2dm3 n ASP 46 N 4.72 -6.04 -2.30 3.68 8.00 -1.26 -2.36 116.55 120.98 2dm3 n ASP 46 Ca -0.17 -0.54 -0.14 0.00 0.71 0.00 0.00 54.79 54.65 2dm3 n ASP 46 Cb 0.48 -5.02 0.05 0.00 -0.02 0.00 0.00 41.12 36.60 2dm3 n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dm3 n GLY 47 N -1.94 0.05 3.29 0.44 0.00 -1.26 -5.03 105.19 100.74 2dm3 n GLY 47 Ca -0.01 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 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 -5.73 0.60 -0.25 1.61 1.02 -1.00 -5.12 119.74 110.86 2dm3 s LYS 48 Ca 0.34 0.24 -0.29 0.00 0.02 0.00 0.00 55.97 56.28 2dm3 s LYS 48 Cb -0.15 0.28 -0.02 0.00 -0.52 0.00 0.00 37.83 37.42 2dm3 s LYS 48 CO 0.42 -0.13 1.63 -1.25 -0.92 0.00 0.00 175.35 175.10 2dm3 s PRO 49 N -0.51 3.69 -0.05 -1.68 0.04 -1.26 0.34 135.00 135.58 2dm3 s PRO 49 Ca -0.06 1.56 -0.29 0.00 0.04 0.00 0.00 61.00 62.25 2dm3 s PRO 49 Cb -0.04 -4.06 -0.02 0.00 0.04 0.00 0.00 34.50 30.42 2dm3 s PRO 49 CO 0.03 -1.42 0.96 0.54 0.04 0.00 0.00 177.00 177.15 2dm3 s VAL 50 N 5.52 4.85 -0.03 -0.36 0.11 -0.83 -4.91 120.40 124.77 2dm3 s VAL 50 Ca 0.72 1.99 -0.01 0.00 -2.93 0.00 0.00 61.98 61.75 2dm3 s VAL 50 Cb -0.24 -4.29 -0.04 0.00 -1.53 0.00 0.00 36.38 30.29 2dm3 s VAL 50 CO 0.30 0.10 0.07 0.00 -3.33 0.00 0.00 175.10 172.25 2dm3 s ARG 51 N 1.41 3.07 0.44 1.54 1.70 -1.26 -4.80 118.95 121.05 2dm3 s ARG 51 Ca 0.49 -0.45 -0.24 0.00 -0.47 0.00 0.00 55.73 55.06 2dm3 s ARG 51 Cb -0.20 -2.87 -0.08 0.00 -0.57 0.00 0.00 34.95 31.24 2dm3 s ARG 51 CO 0.23 0.67 1.17 -1.25 -1.08 0.00 0.00 175.30 175.04 2dm3 s PRO 52 N -1.55 3.87 0.26 3.89 0.04 -1.26 -4.87 135.00 135.38 2dm3 s PRO 52 Ca 0.21 1.82 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 2dm3 s PRO 52 Cb -0.12 -2.52 0.02 0.00 0.04 0.00 0.00 34.50 31.92 2dm3 s PRO 52 CO 0.11 -0.47 0.41 -0.25 0.04 0.00 0.00 177.00 176.84 2dm3 n ASP 53 N -0.26 -1.16 -0.20 6.66 8.00 0.58 -4.93 116.55 125.24 2dm3 n ASP 53 Ca 0.06 -2.33 0.29 0.00 0.71 0.00 0.00 54.79 53.52 2dm3 n ASP 53 Cb 0.47 2.09 0.72 0.00 -0.02 0.00 0.00 41.12 44.38 2dm3 n ASP 53 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2dm3 h SER 54 N 1.44 0.01 0.02 -2.24 4.64 -1.96 -2.14 113.55 113.32 2dm3 h SER 54 Ca -0.21 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.76 2dm3 h SER 54 Cb 0.88 -0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.92 2dm3 h SER 54 CO 0.28 0.00 -1.93 0.00 -0.87 0.00 0.00 176.83 174.31 2dm3 n ALA 55 N -2.72 1.01 -2.67 5.18 0.00 -1.26 -4.81 120.51 115.24 2dm3 n ALA 55 Ca 0.20 -0.77 -0.43 0.00 0.00 0.00 0.00 53.44 52.44 2dm3 n ALA 55 Cb 1.00 -0.32 -0.04 0.00 0.00 0.00 0.00 19.45 20.09 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 -2.46 2.74 -0.30 0.00 3.76 -0.81 -1.21 115.29 117.01 2dm3 s HIS 56 Ca -0.31 -0.05 -0.07 0.00 -0.15 0.00 0.00 55.06 54.48 2dm3 s HIS 56 Cb 0.09 -4.16 0.01 0.00 1.11 0.00 0.00 32.58 29.63 2dm3 s HIS 56 CO 0.59 -1.44 0.09 0.21 -0.85 0.00 0.00 174.74 173.34 2dm3 s LYS 57 N 4.13 3.10 -0.11 1.40 2.20 0.56 -0.31 119.74 130.71 2dm3 s LYS 57 Ca 0.31 -0.85 -0.08 0.00 -0.36 0.00 0.00 55.97 54.98 2dm3 s LYS 57 Cb -0.12 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 2dm3 s LYS 57 CO 0.18 -0.45 0.17 -1.64 -0.36 0.00 0.00 175.35 173.26 2dm3 s MET 58 N 1.51 3.53 0.04 4.03 -1.94 -1.26 -1.52 119.30 123.70 2dm3 s MET 58 Ca 0.03 -0.07 0.08 0.00 -1.71 0.00 0.00 55.69 54.02 2dm3 s MET 58 Cb -0.17 -3.20 -0.03 0.00 2.01 0.00 0.00 34.83 33.43 2dm3 s MET 58 CO 0.03 0.75 -0.20 -0.51 -0.01 0.00 0.00 175.02 175.07 2dm3 s LEU 59 N -0.97 2.50 -0.36 -0.03 1.43 -0.66 -5.01 118.68 115.57 2dm3 s LEU 59 Ca 0.16 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2dm3 s LEU 59 Cb -0.13 -1.45 0.11 0.00 0.03 0.00 0.00 46.19 44.75 2dm3 s LEU 59 CO 0.05 0.25 0.15 -0.69 0.23 0.00 0.00 176.35 176.34 2dm3 s VAL 60 N -0.90 1.16 0.96 -1.59 1.01 -1.26 -3.08 120.40 116.70 2dm3 s VAL 60 Ca 0.14 -1.90 -0.12 0.00 0.00 0.00 0.00 61.98 60.10 2dm3 s VAL 60 Cb -0.10 -1.85 0.17 0.00 0.00 0.00 0.00 36.38 34.60 2dm3 s VAL 60 CO 0.05 -0.76 1.09 -0.13 0.00 0.00 0.00 175.10 175.35 2dm3 s ARG 61 N 1.09 0.72 0.00 2.72 1.81 -0.21 -4.97 118.95 120.11 2dm3 s ARG 61 Ca 0.13 0.67 0.22 0.00 -1.72 0.00 0.00 55.73 55.02 2dm3 s ARG 61 Cb -0.20 -1.76 -0.08 0.00 -0.45 0.00 0.00 34.95 32.46 2dm3 s ARG 61 CO -0.14 -2.57 1.01 -1.91 -0.68 0.00 0.00 175.30 171.01 2dm3 n GLU 62 N -4.09 0.33 -1.29 3.54 2.13 -1.26 -4.25 120.64 115.76 2dm3 n GLU 62 Ca 0.06 -0.27 -0.25 0.00 0.66 0.00 0.00 57.16 57.36 2dm3 n GLU 62 Cb 0.56 -1.49 0.13 0.00 0.27 0.00 0.00 31.44 30.90 2dm3 n GLU 62 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2dm3 n ASN 63 N -1.10 5.23 -2.93 4.31 3.02 -1.26 -4.93 115.26 117.60 2dm3 n ASN 63 Ca 0.06 -3.73 -0.02 0.00 -0.03 0.00 0.00 54.58 50.85 2dm3 n ASN 63 Cb 0.37 -0.81 0.01 0.00 -0.61 0.00 0.00 39.78 38.74 2dm3 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dm3 n GLY 64 N -1.01 -1.11 3.49 7.41 0.00 -1.26 -4.90 105.19 107.81 2dm3 n GLY 64 Ca 0.55 0.42 -0.15 0.00 0.00 0.00 0.00 46.02 46.84 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 -3.06 0.01 0.09 1.61 1.01 -1.26 -2.68 120.40 116.12 2dm3 s VAL 65 Ca 0.07 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.04 2dm3 s VAL 65 Cb -0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2dm3 s VAL 65 CO 0.67 -0.03 -0.08 -1.00 0.00 0.00 0.00 175.10 174.66 2dm3 s HIS 66 N -0.17 0.95 -0.09 5.22 3.76 -0.73 -1.04 115.29 123.19 2dm3 s HIS 66 Ca -0.04 -0.73 -0.11 0.00 -0.15 0.00 0.00 55.06 54.03 2dm3 s HIS 66 Cb -0.03 -0.53 0.03 0.00 1.11 0.00 0.00 32.58 33.15 2dm3 s HIS 66 CO 0.03 -0.06 0.29 -1.12 -0.85 0.00 0.00 174.74 173.03 2dm3 s SER 67 N -2.56 -0.27 -0.38 1.40 0.01 -1.18 -1.48 113.70 109.25 2dm3 s SER 67 Ca 0.06 0.46 0.04 0.00 1.31 0.00 0.00 55.95 57.82 2dm3 s SER 67 Cb -0.01 0.53 0.11 0.00 0.21 0.00 0.00 66.02 66.86 2dm3 s SER 67 CO -0.02 -0.19 0.10 -0.22 0.41 0.00 0.00 173.24 173.33 2dm3 s LEU 68 N -0.22 4.68 -0.28 2.44 2.96 -0.11 -1.66 118.68 126.49 2dm3 s LEU 68 Ca -0.03 -2.35 -0.11 0.00 -0.22 0.00 0.00 54.13 51.42 2dm3 s LEU 68 Cb -0.03 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 2dm3 s LEU 68 CO 0.01 -0.35 0.21 -0.63 -1.32 0.00 0.00 176.35 174.27 2dm3 s ILE 69 N 0.64 5.30 -0.24 6.68 1.01 -0.57 -2.87 121.20 131.15 2dm3 s ILE 69 Ca 0.12 0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.93 2dm3 s ILE 69 Cb -0.21 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 38.73 2dm3 s ILE 69 CO -0.06 0.23 -0.05 -0.63 0.00 0.00 0.00 174.94 174.43 2dm3 s ILE 70 N 1.78 3.08 -0.26 2.92 1.01 -0.75 -0.33 121.20 128.65 2dm3 s ILE 70 Ca 0.08 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 59.77 2dm3 s ILE 70 Cb -0.16 -2.51 0.10 0.00 0.01 0.00 0.00 42.46 39.90 2dm3 s ILE 70 CO 0.11 0.26 0.58 -0.70 0.00 0.00 0.00 174.94 175.19 2dm3 s GLU 71 N 1.38 0.53 1.13 2.79 -6.30 -0.35 -2.52 118.70 115.36 2dm3 s GLU 71 Ca 0.02 1.25 -0.17 0.00 -2.50 0.00 0.00 54.97 53.58 2dm3 s GLU 71 Cb -0.16 0.52 0.25 0.00 0.00 0.00 0.00 34.13 34.74 2dm3 s GLU 71 CO -0.04 -0.20 1.10 -1.25 0.02 0.00 0.00 175.26 174.90 2dm3 s PRO 72 N 2.44 -0.63 -0.09 4.30 0.04 -1.26 -4.27 135.00 135.53 2dm3 s PRO 72 Ca -0.06 0.14 -0.03 0.00 0.04 0.00 0.00 61.00 61.10 2dm3 s PRO 72 Cb -0.10 -1.65 -0.03 0.00 0.04 0.00 0.00 34.50 32.76 2dm3 s PRO 72 CO -0.17 -3.36 0.02 0.08 0.04 0.00 0.00 177.00 173.61 2dm3 s VAL 73 N -2.99 4.50 0.17 -0.36 1.01 -1.18 -4.85 120.40 116.70 2dm3 s VAL 73 Ca 0.69 -0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.58 2dm3 s VAL 73 Cb -0.13 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2dm3 s VAL 73 CO 0.57 0.60 -0.21 0.42 0.00 0.00 0.00 175.10 176.48 2dm3 s THR 74 N -0.91 2.06 0.33 3.92 -4.23 -1.26 -0.58 115.64 114.98 2dm3 s THR 74 Ca 0.14 -1.95 0.12 0.00 -1.18 0.00 0.00 61.69 58.81 2dm3 s THR 74 Cb -0.11 -1.96 0.33 0.00 1.34 0.00 0.00 72.50 72.10 2dm3 s THR 74 CO 0.03 -0.21 1.65 -1.28 -0.54 0.00 0.00 174.62 174.27 2dm3 h SER 75 N 3.28 0.36 -0.89 3.99 0.87 -1.97 0.79 113.55 119.98 2dm3 h SER 75 Ca -0.44 0.20 0.16 0.00 -1.23 0.00 0.00 61.79 60.48 2dm3 h SER 75 Cb 1.21 0.18 -0.07 0.00 -0.44 0.00 0.00 62.40 63.28 2dm3 h SER 75 CO 0.49 -0.16 0.58 0.08 -0.53 0.00 0.00 176.83 177.28 2dm3 h ARG 76 N 0.27 0.58 -0.72 2.24 0.11 -2.02 0.11 114.38 114.96 2dm3 h ARG 76 Ca 0.69 -0.03 0.21 0.00 0.10 0.00 0.00 59.98 60.95 2dm3 h ARG 76 Cb 1.56 -0.13 -0.03 0.00 1.11 0.00 0.00 29.97 32.48 2dm3 h ARG 76 CO -0.63 0.38 0.57 0.38 0.10 0.00 0.00 179.97 180.77 2dm3 h ASP 77 N 0.60 0.00 -3.47 0.08 2.03 0.21 -3.40 116.42 112.47 2dm3 h ASP 77 Ca 0.46 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 56.23 2dm3 h ASP 77 Cb 0.86 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.38 2dm3 h ASP 77 CO -0.20 0.00 0.59 0.00 -1.03 0.00 0.00 179.24 178.59 2dm3 s ALA 78 N -4.86 3.46 0.00 4.15 0.00 0.39 -4.92 121.76 119.97 2dm3 s ALA 78 Ca -0.05 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.92 2dm3 s ALA 78 Cb 0.19 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2dm3 s ALA 78 CO 0.70 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.44 2dm3 n GLY 79 N 2.19 -1.09 3.32 0.00 0.00 -1.25 -5.03 105.19 103.34 2dm3 n GLY 79 Ca 0.05 -1.33 -0.46 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.84 5.19 -0.41 -0.61 -1.09 -1.26 -3.36 121.20 116.83 2dm3 s ILE 80 Ca 0.00 -1.42 -0.29 0.00 -2.23 0.00 0.00 60.65 56.71 2dm3 s ILE 80 Cb 0.00 -4.29 0.02 0.00 -1.58 0.00 0.00 42.46 36.61 2dm3 s ILE 80 CO 0.00 -0.81 1.15 -0.31 -1.23 0.00 0.00 174.94 173.74 2dm3 s TYR 81 N 1.60 2.89 -0.39 3.97 1.51 -1.13 -4.15 117.35 121.65 2dm3 s TYR 81 Ca 0.03 0.88 -0.04 0.00 -1.01 0.00 0.00 57.07 56.94 2dm3 s TYR 81 Cb -0.29 -4.15 0.09 0.00 -0.11 0.00 0.00 41.96 37.50 2dm3 s TYR 81 CO 0.04 -1.18 0.17 0.99 -1.11 0.00 0.00 175.55 174.45 2dm3 s THR 82 N 4.25 3.36 -0.14 -0.71 2.01 -0.98 -2.83 115.64 120.61 2dm3 s THR 82 Ca 0.49 -1.83 -0.09 0.00 0.31 0.00 0.00 61.69 60.56 2dm3 s THR 82 Cb -0.10 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.17 2dm3 s THR 82 CO 0.26 -0.55 0.18 0.00 -0.69 0.00 0.00 174.62 173.82 2dm3 s ILE 84 N -0.47 2.15 -0.34 0.00 1.09 -1.19 -2.11 121.20 120.32 2dm3 s ILE 84 Ca 0.14 -0.95 -0.14 0.00 -1.10 0.00 0.00 60.65 58.61 2dm3 s ILE 84 Cb -0.12 -1.92 -0.01 0.00 -1.06 0.00 0.00 42.46 39.34 2dm3 s ILE 84 CO 0.03 0.50 0.28 0.00 -0.10 0.00 0.00 174.94 175.66 2dm3 s ALA 85 N 1.29 3.50 -0.31 9.38 0.00 0.23 -2.85 121.76 133.01 2dm3 s ALA 85 Ca 0.04 -1.34 -0.05 0.00 0.00 0.00 0.00 51.96 50.61 2dm3 s ALA 85 Cb -0.13 -2.73 0.03 0.00 0.00 0.00 0.00 23.12 20.29 2dm3 s ALA 85 CO -0.12 -1.02 0.05 0.99 0.00 0.00 0.00 175.76 175.66 2dm3 s THR 86 N 1.81 3.53 0.22 0.00 2.01 0.96 -0.23 115.64 123.95 2dm3 s THR 86 Ca 0.08 -1.07 0.10 0.00 0.31 0.00 0.00 61.69 61.10 2dm3 s THR 86 Cb -0.17 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 2dm3 s THR 86 CO 0.11 -0.05 -0.11 0.21 -0.69 0.00 0.00 174.62 174.08 2dm3 s ASN 87 N 1.38 4.08 0.59 3.53 2.47 0.17 -3.02 114.94 124.14 2dm3 s ASN 87 Ca -0.01 -0.71 0.31 0.00 0.42 0.00 0.00 52.86 52.87 2dm3 s ASN 87 Cb -0.19 -0.61 1.21 0.00 -1.45 0.00 0.00 41.25 40.21 2dm3 s ASN 87 CO 0.01 0.07 1.51 0.03 -3.72 0.00 0.00 177.10 175.00 2dm3 h ARG 88 N 2.63 0.00 0.10 0.43 2.47 -1.89 0.45 114.38 118.57 2dm3 h ARG 88 Ca -0.45 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.27 2dm3 h ARG 88 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 2dm3 h ARG 88 CO 0.55 0.00 -0.05 0.00 0.56 0.00 0.00 179.97 181.04 2dm3 h ALA 89 N 0.87 -0.13 -3.00 0.04 0.00 -1.86 -3.50 119.26 111.67 2dm3 h ALA 89 Ca 0.49 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2dm3 h ALA 89 Cb 2.60 0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.44 2dm3 h ALA 89 CO -0.01 -0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.53 2dm3 n GLY 90 N 1.41 3.40 3.05 0.00 0.00 0.15 -4.95 105.19 108.24 2dm3 n GLY 90 Ca -0.02 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 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 1.83 0.32 0.10 1.61 0.74 -1.26 0.42 119.66 123.43 2dm3 s GLN 91 Ca 0.00 -0.15 -0.05 0.00 0.05 0.00 0.00 55.36 55.21 2dm3 s GLN 91 Cb 0.00 0.14 -0.02 0.00 1.10 0.00 0.00 33.01 34.22 2dm3 s GLN 91 CO 0.00 -0.06 0.11 1.21 -0.55 0.00 0.00 175.29 175.99 2dm3 s ASN 92 N -0.73 0.27 0.13 6.67 2.47 0.68 -4.93 114.94 119.51 2dm3 s ASN 92 Ca -0.08 -0.93 -0.11 0.00 0.42 0.00 0.00 52.86 52.16 2dm3 s ASN 92 Cb -0.05 0.30 0.01 0.00 -1.45 0.00 0.00 41.25 40.06 2dm3 s ASN 92 CO 0.01 -0.72 0.30 -0.94 -3.72 0.00 0.00 177.10 172.03 2dm3 s SER 93 N -2.94 -0.01 -0.20 -4.21 1.04 -1.26 0.75 113.70 106.86 2dm3 s SER 93 Ca 0.12 -0.65 -0.19 0.00 0.48 0.00 0.00 55.95 55.72 2dm3 s SER 93 Cb 0.06 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.66 2dm3 s SER 93 CO -0.06 -0.85 0.54 0.72 0.98 0.00 0.00 173.24 174.58 2dm3 s PHE 94 N -3.89 -0.60 0.04 5.02 -0.71 -0.90 -5.01 117.98 111.93 2dm3 s PHE 94 Ca 0.09 1.46 0.04 0.00 -1.04 0.00 0.00 56.93 57.48 2dm3 s PHE 94 Cb 0.03 0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 42.01 2dm3 s PHE 94 CO -0.06 -0.29 -0.03 -1.54 -1.34 0.00 0.00 175.22 171.96 2dm3 s SER 95 N 0.33 4.87 0.11 1.98 1.04 -1.26 -2.74 113.70 118.02 2dm3 s SER 95 Ca -0.00 -0.14 -0.06 0.00 0.48 0.00 0.00 55.95 56.22 2dm3 s SER 95 Cb -0.04 -1.16 -0.01 0.00 0.10 0.00 0.00 66.02 64.90 2dm3 s SER 95 CO 0.00 0.24 0.16 -1.48 0.98 0.00 0.00 173.24 173.14 2dm3 s LEU 96 N -1.83 1.52 0.02 2.42 0.05 -1.13 -5.01 118.68 114.73 2dm3 s LEU 96 Ca 0.21 -0.84 0.09 0.00 0.05 0.00 0.00 54.13 53.64 2dm3 s LEU 96 Cb -0.11 0.84 -0.03 0.00 -2.05 0.00 0.00 46.19 44.84 2dm3 s LEU 96 CO 0.12 -0.75 -0.26 -0.70 -0.55 0.00 0.00 176.35 174.21 2dm3 s GLU 97 N -3.92 1.92 -0.19 1.48 2.12 -1.25 -2.85 118.70 116.00 2dm3 s GLU 97 Ca 0.11 -1.04 -0.03 0.00 0.36 0.00 0.00 54.97 54.37 2dm3 s GLU 97 Cb 0.05 -2.01 0.06 0.00 0.26 0.00 0.00 34.13 32.50 2dm3 s GLU 97 CO -0.06 0.53 0.03 -1.17 -0.54 0.00 0.00 175.26 174.05 2dm3 s LEU 98 N -1.01 1.14 0.08 2.70 2.96 -1.21 -3.03 118.68 120.30 2dm3 s LEU 98 Ca 0.11 -0.78 -0.20 0.00 -0.22 0.00 0.00 54.13 53.04 2dm3 s LEU 98 Cb -0.10 -0.59 -0.07 0.00 0.50 0.00 0.00 46.19 45.94 2dm3 s LEU 98 CO 0.01 -0.30 0.60 -0.69 -1.32 0.00 0.00 176.35 174.65 2dm3 s VAL 99 N 1.87 4.71 -0.06 1.68 1.01 0.04 -3.75 120.40 125.90 2dm3 s VAL 99 Ca -0.01 1.29 -0.00 0.00 0.00 0.00 0.00 61.98 63.27 2dm3 s VAL 99 Cb -0.17 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.30 2dm3 s VAL 99 CO -0.08 0.53 -0.02 -0.69 0.00 0.00 0.00 175.10 174.84 2dm3 s VAL 100 N -1.00 0.46 -0.25 2.92 1.01 -1.26 -2.09 120.40 120.20 2dm3 s VAL 100 Ca 0.30 -0.00 -0.15 0.00 0.00 0.00 0.00 61.98 62.13 2dm3 s VAL 100 Cb -0.20 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 2dm3 s VAL 100 CO 0.20 0.24 0.37 0.00 0.00 0.00 0.00 175.10 175.91 2dm3 s ALA 101 N 1.46 3.57 0.56 5.51 0.00 -1.07 -4.86 121.76 126.92 2dm3 s ALA 101 Ca -0.03 -0.74 -0.19 0.00 0.00 0.00 0.00 51.96 51.01 2dm3 s ALA 101 Cb -0.13 -2.67 -0.08 0.00 0.00 0.00 0.00 23.12 20.24 2dm3 s ALA 101 CO -0.03 -0.53 0.64 0.00 0.00 0.00 0.00 175.76 175.84 2dm3 n ALA 102 N 5.03 -0.84 -1.29 0.00 0.00 -1.26 -1.04 120.51 121.11 2dm3 n ALA 102 Ca -0.09 0.01 -0.37 0.00 0.00 0.00 0.00 53.44 52.99 2dm3 n ALA 102 Cb 0.51 -1.89 0.04 0.00 0.00 0.00 0.00 19.45 18.11 2dm3 n ALA 102 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2dm3 n LYS 103 N -0.19 0.25 -1.33 0.00 3.00 -1.26 -4.71 118.16 113.92 2dm3 n LYS 103 Ca 0.12 0.11 -0.46 0.00 -0.00 0.00 0.00 58.31 58.08 2dm3 n LYS 103 Cb 0.46 -1.49 -0.03 0.00 0.00 0.00 0.00 35.03 33.98 2dm3 n LYS 103 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2dm3 n GLU 104 N 0.37 0.00 -1.62 1.64 -0.58 -1.26 -4.92 120.64 114.27 2dm3 n GLU 104 Ca 0.09 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.54 2dm3 n GLU 104 Cb 0.49 -0.96 0.13 0.00 -0.57 0.00 0.00 31.44 30.53 2dm3 n GLU 104 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2dm3 s SER 105 N -0.96 3.67 0.00 1.62 1.04 -1.26 -4.93 113.70 112.88 2dm3 s SER 105 Ca 0.61 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.93 2dm3 s SER 105 Cb -0.87 -1.42 0.00 0.00 0.10 0.00 0.00 66.02 63.83 2dm3 s SER 105 CO 0.54 -2.44 0.00 0.61 0.98 0.00 0.00 173.24 172.93 2dm3 n GLY 106 N -2.49 -2.62 3.75 7.32 0.00 -1.26 -4.91 105.19 104.98 2dm3 n GLY 106 Ca 0.07 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.79 4.42 0.84 1.61 0.04 -1.26 -4.97 135.00 134.89 2dm3 s PRO 107 Ca 0.00 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 62.93 2dm3 s PRO 107 Cb 0.00 -3.17 -0.08 0.00 0.04 0.00 0.00 34.50 31.30 2dm3 s PRO 107 CO 0.00 -0.16 -0.09 -1.13 0.04 0.00 0.00 177.00 175.66 2dm3 n SER 108 N 1.97 -3.57 -4.63 6.66 3.41 -1.26 -4.80 113.62 111.39 2dm3 n SER 108 Ca 0.03 0.39 -0.43 0.00 -0.26 0.00 0.00 58.87 58.61 2dm3 n SER 108 Cb 0.43 -0.99 -0.02 0.00 -0.26 0.00 0.00 64.21 63.36 2dm3 n SER 108 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dm3 s SER 109 N -1.35 6.48 0.00 4.04 0.01 -1.26 -5.24 113.70 116.38 2dm3 s SER 109 Ca 0.53 1.63 0.19 0.00 1.31 0.00 0.00 55.95 59.61 2dm3 s SER 109 Cb -0.28 -2.53 0.15 0.00 0.21 0.00 0.00 66.02 63.56 2dm3 s SER 109 CO 0.71 -1.17 1.09 0.61 0.41 0.00 0.00 173.24 174.88