#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ds4 n SER 2 N 0.00 0.15 -4.37 1.61 7.64 -1.26 -4.90 113.62 112.49 2ds4 n SER 2 Ca 0.00 -1.02 -0.24 0.00 1.01 0.00 0.00 58.87 58.62 2ds4 n SER 2 Cb 0.00 -1.28 -0.11 0.00 -1.01 0.00 0.00 64.21 61.81 2ds4 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ds4 s SER 3 N -3.76 3.02 -0.30 6.43 1.04 -1.26 -5.13 113.70 113.75 2ds4 s SER 3 Ca 0.19 -0.87 -0.01 0.00 0.48 0.00 0.00 55.95 55.74 2ds4 s SER 3 Cb -0.11 -0.20 0.19 0.00 0.10 0.00 0.00 66.02 66.00 2ds4 s SER 3 CO 0.81 0.03 0.63 -0.83 0.98 0.00 0.00 173.24 174.86 2ds4 s GLY 4 N -2.71 -1.00 0.73 7.32 0.00 -1.26 -5.16 107.32 105.23 2ds4 s GLY 4 Ca 0.18 1.79 -0.12 0.00 0.00 0.00 0.00 44.72 46.57 2ds4 s GLY 4 CO 0.08 3.46 1.10 -0.45 0.00 0.00 0.00 173.10 177.29 2ds4 s SER 5 N 2.86 4.78 0.04 1.64 0.15 -1.26 -4.98 113.70 116.93 2ds4 s SER 5 Ca 0.18 1.88 -0.26 0.00 0.70 0.00 0.00 55.95 58.45 2ds4 s SER 5 Cb -0.14 -2.53 -0.17 0.00 -1.71 0.00 0.00 66.02 61.47 2ds4 s SER 5 CO -0.21 -1.85 1.45 0.28 1.20 0.00 0.00 173.24 174.11 2ds4 h SER 6 N -0.67 -0.23 0.00 5.45 0.02 -1.97 -3.47 113.55 112.68 2ds4 h SER 6 Ca -0.45 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 2ds4 h SER 6 Cb 1.24 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2ds4 h SER 6 CO 0.53 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.85 2ds4 n GLY 7 N -0.61 -0.93 3.36 -3.77 0.00 -1.26 -5.09 105.19 96.88 2ds4 n GLY 7 Ca -0.09 0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 2ds4 n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ds4 s GLU 8 N -2.00 1.76 0.33 1.61 -1.05 -1.26 -5.11 118.70 112.98 2ds4 s GLU 8 Ca 0.00 -1.87 -0.26 0.00 -0.15 0.00 0.00 54.97 52.68 2ds4 s GLU 8 Cb 0.00 0.37 -0.10 0.00 -0.44 0.00 0.00 34.13 33.96 2ds4 s GLU 8 CO 0.00 -0.68 0.98 0.54 0.95 0.00 0.00 175.26 177.06 2ds4 s VAL 9 N -3.38 4.02 -0.14 1.83 0.11 -1.26 -3.48 120.40 118.10 2ds4 s VAL 9 Ca 0.37 1.69 0.02 0.00 -2.93 0.00 0.00 61.98 61.13 2ds4 s VAL 9 Cb 0.02 -3.95 0.01 0.00 -1.53 0.00 0.00 36.38 30.93 2ds4 s VAL 9 CO 0.23 0.15 -0.21 -0.62 -3.33 0.00 0.00 175.10 171.32 2ds4 s ASP 10 N -1.51 3.05 0.21 3.54 2.15 -0.32 -4.83 116.67 118.96 2ds4 s ASP 10 Ca 0.51 -0.59 -0.02 0.00 0.43 0.00 0.00 52.55 52.88 2ds4 s ASP 10 Cb -0.21 -1.41 0.19 0.00 -0.30 0.00 0.00 42.92 41.19 2ds4 s ASP 10 CO 0.27 0.08 1.57 1.55 -0.17 0.00 0.00 175.17 178.47 2ds4 h PRO 11 N 7.32 0.58 0.00 4.34 0.13 -1.87 -1.77 132.00 140.72 2ds4 h PRO 11 Ca -0.32 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2ds4 h PRO 11 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2ds4 h PRO 11 CO 0.55 0.90 0.00 0.00 -0.23 0.00 0.00 178.00 179.21 2ds4 h ALA 12 N 1.06 1.00 0.00 -0.56 0.00 -1.91 -2.35 119.26 116.50 2ds4 h ALA 12 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2ds4 h ALA 12 Cb 0.94 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2ds4 h ALA 12 CO 0.08 0.00 -2.05 1.63 0.00 0.00 0.00 179.25 178.92 2ds4 n LYS 13 N -2.98 0.66 -1.04 0.00 4.76 -1.07 -4.41 118.16 114.08 2ds4 n LYS 13 Ca -0.01 -0.14 -0.32 0.00 -2.87 0.00 0.00 58.31 54.97 2ds4 n LYS 13 Cb 0.20 -1.53 0.13 0.00 -1.84 0.00 0.00 35.03 31.99 2ds4 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ds4 s VAL 15 N -2.37 0.04 0.04 0.00 -7.23 -1.17 -3.91 120.40 105.80 2ds4 s VAL 15 Ca 0.70 -1.80 0.04 0.00 -1.81 0.00 0.00 61.98 59.12 2ds4 s VAL 15 Cb -0.25 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 2ds4 s VAL 15 CO 0.53 -0.17 -0.06 -0.76 -0.31 0.00 0.00 175.10 174.32 2ds4 s LEU 16 N -3.08 3.20 0.07 1.32 1.43 -1.26 -2.09 118.68 118.27 2ds4 s LEU 16 Ca 0.29 -0.21 0.10 0.00 -1.03 0.00 0.00 54.13 53.28 2ds4 s LEU 16 Cb 0.05 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 2ds4 s LEU 16 CO 0.07 0.24 -0.26 -1.10 0.23 0.00 0.00 176.35 175.52 2ds4 s GLN 17 N -1.78 1.68 0.00 1.70 -0.21 0.16 -4.94 119.66 116.28 2ds4 s GLN 17 Ca 0.20 -1.17 0.00 0.00 0.02 0.00 0.00 55.36 54.41 2ds4 s GLN 17 Cb -0.11 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 31.96 2ds4 s GLN 17 CO 0.11 0.49 0.00 0.41 -2.12 0.00 0.00 175.29 174.18 2ds4 n GLY 18 N 1.55 4.71 3.84 3.09 0.00 -1.26 -1.98 105.19 115.13 2ds4 n GLY 18 Ca -0.17 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 2ds4 n GLY 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ds4 s GLU 19 N -4.46 4.04 -1.43 1.61 1.03 -1.26 -4.11 118.70 114.13 2ds4 s GLU 19 Ca 0.00 0.83 -0.11 0.00 0.03 0.00 0.00 54.97 55.72 2ds4 s GLU 19 Cb 0.00 -2.30 0.01 0.00 -0.80 0.00 0.00 34.13 31.04 2ds4 s GLU 19 CO 0.00 0.01 0.20 -0.25 -1.33 0.00 0.00 175.26 173.89 2ds4 n ASP 20 N -0.74 -0.56 0.19 0.83 8.00 -1.26 -4.77 116.55 118.24 2ds4 n ASP 20 Ca 0.05 -1.27 0.14 0.00 0.71 0.00 0.00 54.79 54.42 2ds4 n ASP 20 Cb 0.54 -1.56 0.63 0.00 -0.02 0.00 0.00 41.12 40.70 2ds4 n ASP 20 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2ds4 h LEU 21 N -2.00 0.00 -3.56 0.64 3.38 -1.97 -1.89 115.31 109.90 2ds4 h LEU 21 Ca -0.67 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.10 2ds4 h LEU 21 Cb 1.38 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.01 2ds4 h LEU 21 CO 0.64 0.00 0.17 1.41 0.09 0.00 0.00 178.44 180.75 2ds4 n HIS 22 N -2.49 1.82 -3.67 1.13 8.25 -1.26 -4.89 115.22 114.10 2ds4 n HIS 22 Ca 0.00 -1.34 -0.15 0.00 -0.26 0.00 0.00 57.72 55.98 2ds4 n HIS 22 Cb 0.18 -0.59 -0.15 0.00 1.12 0.00 0.00 29.99 30.56 2ds4 n HIS 22 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2ds4 s ARG 23 N -3.08 0.09 0.18 -0.41 3.00 -0.71 -3.39 118.95 114.63 2ds4 s ARG 23 Ca 0.50 0.63 0.02 0.00 -1.00 0.00 0.00 55.73 55.87 2ds4 s ARG 23 Cb 0.42 -0.17 -0.05 0.00 0.00 0.00 0.00 34.95 35.15 2ds4 s ARG 23 CO 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 175.30 175.09 2ds4 s ALA 24 N 2.24 1.41 -0.05 6.12 0.00 -1.11 -4.93 121.76 125.44 2ds4 s ALA 24 Ca 0.01 -1.60 0.05 0.00 0.00 0.00 0.00 51.96 50.42 2ds4 s ALA 24 Cb -0.12 0.51 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 2ds4 s ALA 24 CO -0.07 -0.30 -0.19 0.50 0.00 0.00 0.00 175.76 175.70 2ds4 s ARG 25 N -3.90 2.43 0.25 0.00 3.52 -1.26 -1.37 118.95 118.62 2ds4 s ARG 25 Ca 0.24 -0.79 -0.29 0.00 -0.13 0.00 0.00 55.73 54.76 2ds4 s ARG 25 Cb 0.06 -2.27 -0.15 0.00 -1.56 0.00 0.00 34.95 31.03 2ds4 s ARG 25 CO 0.04 0.56 0.90 -1.91 -0.81 0.00 0.00 175.30 174.08 2ds4 n GLU 26 N 2.48 0.95 -3.99 5.12 4.07 0.22 -1.34 120.64 128.16 2ds4 n GLU 26 Ca -0.17 0.34 -0.28 0.00 -0.06 0.00 0.00 57.16 56.99 2ds4 n GLU 26 Cb 0.52 -1.63 -0.01 0.00 -0.06 0.00 0.00 31.44 30.26 2ds4 n GLU 26 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2ds4 n LYS 27 N 0.95 -3.64 -4.30 5.31 5.02 -0.49 -4.49 118.16 116.53 2ds4 n LYS 27 Ca 0.13 0.43 -0.23 0.00 -2.02 0.00 0.00 58.31 56.62 2ds4 n LYS 27 Cb 0.29 -4.81 -0.12 0.00 -0.02 0.00 0.00 35.03 30.36 2ds4 n LYS 27 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2ds4 s GLN 28 N -6.60 1.16 -0.48 1.97 2.00 -0.45 -4.99 119.66 112.27 2ds4 s GLN 28 Ca 0.24 -1.24 -0.16 0.00 -2.00 0.00 0.00 55.36 52.21 2ds4 s GLN 28 Cb -0.13 -1.34 0.08 0.00 0.80 0.00 0.00 33.01 32.42 2ds4 s GLN 28 CO 0.89 0.30 0.42 0.99 -0.50 0.00 0.00 175.29 177.38 2ds4 s THR 29 N -1.49 5.21 -0.20 -0.34 2.01 -1.26 -3.90 115.64 115.67 2ds4 s THR 29 Ca 0.09 -1.06 -0.07 0.00 0.31 0.00 0.00 61.69 60.96 2ds4 s THR 29 Cb -0.08 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 2ds4 s THR 29 CO 0.05 -0.61 0.07 0.00 -0.69 0.00 0.00 174.62 173.43 2ds4 s ALA 30 N 1.70 3.33 0.10 7.40 0.00 -0.50 -4.95 121.76 128.84 2ds4 s ALA 30 Ca 0.05 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.22 2ds4 s ALA 30 Cb -0.24 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 2ds4 s ALA 30 CO 0.07 -0.02 -0.20 -1.54 0.00 0.00 0.00 175.76 174.07 2ds4 s SER 31 N 0.74 2.40 0.11 0.00 1.04 -1.26 -1.65 113.70 115.07 2ds4 s SER 31 Ca 0.03 -0.67 -0.07 0.00 0.48 0.00 0.00 55.95 55.72 2ds4 s SER 31 Cb -0.13 -0.13 -0.01 0.00 0.10 0.00 0.00 66.02 65.85 2ds4 s SER 31 CO 0.02 0.04 0.18 0.72 0.98 0.00 0.00 173.24 175.18 2ds4 s PHE 32 N -1.18 0.31 -0.13 5.02 -0.71 -0.99 -4.95 117.98 115.35 2ds4 s PHE 32 Ca 0.05 -0.73 -0.05 0.00 -1.04 0.00 0.00 56.93 55.16 2ds4 s PHE 32 Cb -0.10 -0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 2ds4 s PHE 32 CO 0.04 -0.57 0.06 0.99 -1.34 0.00 0.00 175.22 174.40 2ds4 s THR 33 N -3.91 4.81 -0.36 -4.49 2.01 -0.84 -3.27 115.64 109.59 2ds4 s THR 33 Ca 0.10 -0.05 -0.07 0.00 0.31 0.00 0.00 61.69 61.98 2ds4 s THR 33 Cb 0.05 -3.09 0.05 0.00 0.01 0.00 0.00 72.50 69.52 2ds4 s THR 33 CO -0.07 0.56 0.15 -0.22 -0.69 0.00 0.00 174.62 174.34 2ds4 s LEU 34 N -0.47 4.57 0.12 4.42 2.96 -1.18 0.39 118.68 129.49 2ds4 s LEU 34 Ca 0.10 -1.26 -0.30 0.00 -0.22 0.00 0.00 54.13 52.46 2ds4 s LEU 34 Cb -0.12 -1.90 -0.06 0.00 0.50 0.00 0.00 46.19 44.61 2ds4 s LEU 34 CO 0.02 -0.39 0.95 -0.76 -1.32 0.00 0.00 176.35 174.85 2ds4 s LEU 35 N 1.40 4.52 -0.24 -0.68 1.43 -0.89 -2.99 118.68 121.23 2ds4 s LEU 35 Ca 0.00 1.79 -0.07 0.00 -1.03 0.00 0.00 54.13 54.82 2ds4 s LEU 35 Cb -0.20 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 2ds4 s LEU 35 CO 0.03 -0.03 0.06 0.00 0.23 0.00 0.00 176.35 176.64 2ds4 s LYS 37 N 1.53 1.57 0.55 0.00 3.01 -1.26 -3.70 119.74 121.43 2ds4 s LYS 37 Ca 0.06 -1.58 -0.06 0.00 -1.01 0.00 0.00 55.97 53.38 2ds4 s LYS 37 Cb -0.15 -1.84 0.12 0.00 -1.01 0.00 0.00 37.83 34.95 2ds4 s LYS 37 CO 0.03 0.38 0.74 -0.40 0.51 0.00 0.00 175.35 176.62 2ds4 n ASP 38 N 0.05 0.39 0.32 2.83 5.75 -0.85 -1.17 116.55 123.87 2ds4 n ASP 38 Ca -0.11 -1.47 0.21 0.00 -0.01 0.00 0.00 54.79 53.41 2ds4 n ASP 38 Cb 0.57 -0.54 1.07 0.00 -1.03 0.00 0.00 41.12 41.20 2ds4 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ds4 h ALA 39 N -1.32 1.01 -0.00 2.12 0.00 -1.88 0.04 119.26 119.24 2ds4 h ALA 39 Ca -0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2ds4 h ALA 39 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2ds4 h ALA 39 CO 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 179.25 179.41 2ds4 n ALA 40 N -2.09 2.64 -1.60 0.00 0.00 -1.26 -4.90 120.51 113.29 2ds4 n ALA 40 Ca -0.02 -0.21 -0.08 0.00 0.00 0.00 0.00 53.44 53.13 2ds4 n ALA 40 Cb 0.13 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.14 2ds4 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ds4 n GLY 41 N 1.24 0.61 3.44 0.00 0.00 0.00 -5.02 105.19 105.46 2ds4 n GLY 41 Ca 0.16 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 2ds4 n GLY 41 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ds4 s GLU 42 N -3.38 1.59 0.18 1.61 -1.05 -1.26 -4.89 118.70 111.51 2ds4 s GLU 42 Ca 0.00 -1.72 -0.32 0.00 -0.15 0.00 0.00 54.97 52.78 2ds4 s GLU 42 Cb 0.00 -1.61 -0.12 0.00 -0.44 0.00 0.00 34.13 31.96 2ds4 s GLU 42 CO 0.00 0.30 1.77 -0.89 0.95 0.00 0.00 175.26 177.39 2ds4 n ILE 43 N -0.54 0.13 -0.06 1.83 2.08 -1.26 -2.01 119.36 119.52 2ds4 n ILE 43 Ca -0.06 -0.02 -0.07 0.00 0.56 0.00 0.00 62.75 63.16 2ds4 n ILE 43 Cb 0.60 -2.05 -0.15 0.00 -0.75 0.00 0.00 39.64 37.29 2ds4 n ILE 43 CO 0.00 0.00 0.00 1.15 0.56 0.00 0.00 176.55 178.26 2ds4 n MET 44 N 4.58 0.67 -3.35 0.38 0.00 -1.24 -4.88 117.12 113.27 2ds4 n MET 44 Ca 0.17 0.05 -0.17 0.00 0.00 0.00 0.00 57.70 57.75 2ds4 n MET 44 Cb 0.36 -1.60 0.08 0.00 0.00 0.00 0.00 33.22 32.07 2ds4 n MET 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ds4 n GLY 45 N 1.63 -0.32 3.51 3.17 0.00 -1.26 -4.89 105.19 107.03 2ds4 n GLY 45 Ca -0.25 0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 2ds4 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ds4 s ARG 46 N -5.37 1.63 0.00 1.61 1.81 -1.19 -4.81 118.95 112.63 2ds4 s ARG 46 Ca 0.06 -1.47 0.00 0.00 -1.72 0.00 0.00 55.73 52.60 2ds4 s ARG 46 Cb -0.03 0.44 0.00 0.00 -0.45 0.00 0.00 34.95 34.91 2ds4 s ARG 46 CO 0.68 -0.67 0.00 0.41 -0.68 0.00 0.00 175.30 175.04 2ds4 n GLY 47 N -0.43 3.29 3.65 -3.53 0.00 -1.26 -2.99 105.19 103.92 2ds4 n GLY 47 Ca -0.00 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 2ds4 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ds4 n GLY 48 N 3.41 -0.50 3.46 -0.02 0.00 -1.26 -5.00 105.19 105.29 2ds4 n GLY 48 Ca 0.00 0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 2ds4 n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ds4 s ASP 49 N -3.52 3.64 -0.55 1.61 1.01 -1.26 -5.10 116.67 112.50 2ds4 s ASP 49 Ca 0.49 -0.83 -0.16 0.00 0.71 0.00 0.00 52.55 52.76 2ds4 s ASP 49 Cb -0.22 -0.36 0.12 0.00 1.01 0.00 0.00 42.92 43.47 2ds4 s ASP 49 CO 0.76 0.11 0.53 0.20 0.21 0.00 0.00 175.17 176.97 2ds4 s ASN 50 N -2.83 6.19 -0.09 0.27 0.01 -1.26 -5.05 114.94 112.18 2ds4 s ASN 50 Ca 0.23 -1.73 -0.13 0.00 -0.71 0.00 0.00 52.86 50.52 2ds4 s ASN 50 Cb -0.08 -2.22 -0.05 0.00 0.41 0.00 0.00 41.25 39.31 2ds4 s ASN 50 CO 0.12 -0.89 0.33 -0.69 -1.51 0.00 0.00 177.10 174.46 2ds4 s VAL 51 N 1.75 5.23 -0.23 1.60 1.01 -1.26 -2.21 120.40 126.29 2ds4 s VAL 51 Ca 0.04 0.64 0.02 0.00 0.00 0.00 0.00 61.98 62.68 2ds4 s VAL 51 Cb -0.29 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.49 2ds4 s VAL 51 CO 0.04 0.49 -0.14 -1.10 0.00 0.00 0.00 175.10 174.38 2ds4 s GLN 52 N -0.30 2.52 -0.12 2.72 -1.52 -0.11 -5.01 119.66 117.82 2ds4 s GLN 52 Ca 0.20 -1.13 0.03 0.00 -1.95 0.00 0.00 55.36 52.51 2ds4 s GLN 52 Cb -0.14 -2.75 0.01 0.00 -0.22 0.00 0.00 33.01 29.91 2ds4 s GLN 52 CO 0.08 -0.43 -0.22 0.08 -0.25 0.00 0.00 175.29 174.55 2ds4 s VAL 53 N 1.19 2.02 -0.24 1.09 1.01 -1.25 -2.32 120.40 121.90 2ds4 s VAL 53 Ca -0.03 -0.98 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 2ds4 s VAL 53 Cb -0.17 -1.77 0.09 0.00 0.00 0.00 0.00 36.38 34.52 2ds4 s VAL 53 CO -0.08 0.55 0.56 0.00 0.00 0.00 0.00 175.10 176.13 2ds4 s ALA 54 N 0.63 -1.58 -0.14 5.51 0.00 -0.73 -4.98 121.76 120.47 2ds4 s ALA 54 Ca -0.12 2.01 -0.03 0.00 0.00 0.00 0.00 51.96 53.83 2ds4 s ALA 54 Cb -0.17 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 2ds4 s ALA 54 CO 0.03 -0.56 -0.05 0.08 0.00 0.00 0.00 175.76 175.26 2ds4 s VAL 55 N 2.07 3.77 -0.02 0.00 1.01 -1.26 0.41 120.40 126.38 2ds4 s VAL 55 Ca -0.07 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.52 2ds4 s VAL 55 Cb -0.09 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.66 2ds4 s VAL 55 CO -0.17 0.51 -0.07 -0.69 0.00 0.00 0.00 175.10 174.69 2ds4 s VAL 56 N 0.19 0.59 0.12 2.92 1.01 -0.85 -3.01 120.40 121.37 2ds4 s VAL 56 Ca -0.03 -0.26 -0.31 0.00 0.00 0.00 0.00 61.98 61.38 2ds4 s VAL 56 Cb -0.14 -0.53 -0.08 0.00 0.00 0.00 0.00 36.38 35.63 2ds4 s VAL 56 CO 0.03 0.19 1.35 -2.16 0.00 0.00 0.00 175.10 174.51 2ds4 s PRO 57 N 0.20 4.35 0.25 2.72 0.04 -1.26 -0.18 135.00 141.12 2ds4 s PRO 57 Ca -0.02 2.04 0.20 0.00 0.04 0.00 0.00 61.00 63.25 2ds4 s PRO 57 Cb -0.07 -3.25 0.96 0.00 0.04 0.00 0.00 34.50 32.18 2ds4 s PRO 57 CO 0.00 -0.38 1.60 1.17 0.04 0.00 0.00 177.00 179.43 2ds4 n LYS 58 N 3.69 0.14 -0.03 4.56 4.81 -0.82 -3.11 118.16 127.39 2ds4 n LYS 58 Ca 0.10 0.53 -0.00 0.00 -0.87 0.00 0.00 58.31 58.07 2ds4 n LYS 58 Cb 0.43 -1.86 -0.00 0.00 0.02 0.00 0.00 35.03 33.62 2ds4 n LYS 58 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2ds4 h ASP 59 N 0.00 0.00 -1.95 3.14 5.19 -1.91 -3.48 116.42 117.41 2ds4 h ASP 59 Ca 0.00 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.91 2ds4 h ASP 59 Cb 0.13 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.59 2ds4 h ASP 59 CO 0.00 0.30 -0.48 -1.59 -3.12 0.00 0.00 179.24 174.35 2ds4 s LYS 60 N -1.37 2.73 -0.03 3.56 0.00 -1.18 -5.05 119.74 118.40 2ds4 s LYS 60 Ca -0.01 -1.26 0.02 0.00 0.00 0.00 0.00 55.97 54.71 2ds4 s LYS 60 Cb 0.00 -2.46 -0.03 0.00 0.00 0.00 0.00 37.83 35.34 2ds4 s LYS 60 CO 0.02 0.18 -0.00 1.17 0.00 0.00 0.00 175.35 176.72 2ds4 n LYS 61 N -1.29 2.34 0.00 1.78 3.00 -1.26 -4.09 118.16 118.65 2ds4 n LYS 61 Ca -0.04 0.01 0.11 0.00 -0.00 0.00 0.00 58.31 58.39 2ds4 n LYS 61 Cb 0.59 -1.07 0.51 0.00 0.00 0.00 0.00 35.03 35.06 2ds4 n LYS 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2ds4 n ASP 62 N -2.28 0.00 -4.24 3.14 8.00 -1.26 -4.42 116.55 115.48 2ds4 n ASP 62 Ca -0.05 0.45 -0.43 0.00 0.71 0.00 0.00 54.79 55.47 2ds4 n ASP 62 Cb 0.59 -0.48 -0.06 0.00 -0.02 0.00 0.00 41.12 41.15 2ds4 n ASP 62 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2ds4 s SER 63 N -2.96 6.10 1.13 -2.24 0.15 -1.26 -5.07 113.70 109.55 2ds4 s SER 63 Ca 0.12 -2.48 -0.10 0.00 0.70 0.00 0.00 55.95 54.19 2ds4 s SER 63 Cb 0.15 -2.08 0.15 0.00 -1.71 0.00 0.00 66.02 62.54 2ds4 s SER 63 CO 0.42 -0.58 0.55 -0.81 1.20 0.00 0.00 173.24 174.03 2ds4 n PRO 64 N 4.18 -2.10 -4.25 5.44 -0.04 -1.26 -4.33 135.00 132.64 2ds4 n PRO 64 Ca 0.05 -0.88 -0.17 0.00 -0.04 0.00 0.00 63.50 62.45 2ds4 n PRO 64 Cb 0.43 -0.83 -0.15 0.00 -0.04 0.00 0.00 33.50 32.91 2ds4 n PRO 64 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ds4 s VAL 65 N -2.00 0.55 0.18 0.52 1.01 -1.17 -4.89 120.40 114.60 2ds4 s VAL 65 Ca 0.36 -0.29 -0.32 0.00 0.00 0.00 0.00 61.98 61.74 2ds4 s VAL 65 Cb -0.04 -0.48 -0.11 0.00 0.00 0.00 0.00 36.38 35.76 2ds4 s VAL 65 CO 0.27 0.16 1.70 -0.13 0.00 0.00 0.00 175.10 177.10 2ds4 s ARG 66 N -0.08 4.15 0.12 2.72 0.52 -1.26 -4.66 118.95 120.47 2ds4 s ARG 66 Ca 0.01 2.53 0.01 0.00 -0.52 0.00 0.00 55.73 57.76 2ds4 s ARG 66 Cb -0.04 -3.21 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 2ds4 s ARG 66 CO -0.00 -0.73 -0.02 0.95 0.02 0.00 0.00 175.30 175.52 2ds4 s THR 67 N 1.50 0.55 -0.02 0.02 -4.23 -1.26 -2.78 115.64 109.42 2ds4 s THR 67 Ca 0.74 -1.93 -0.06 0.00 -1.18 0.00 0.00 61.69 59.26 2ds4 s THR 67 Cb -0.47 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 71.50 2ds4 s THR 67 CO 0.32 -0.69 0.12 -0.32 -0.54 0.00 0.00 174.62 173.52 2ds4 s MET 68 N -3.90 0.34 -0.14 3.99 1.75 0.20 -4.96 119.30 116.57 2ds4 s MET 68 Ca 0.17 -0.18 -0.04 0.00 -1.25 0.00 0.00 55.69 54.39 2ds4 s MET 68 Cb 0.06 0.14 0.07 0.00 2.84 0.00 0.00 34.83 37.95 2ds4 s MET 68 CO -0.01 -0.07 0.24 0.54 -0.65 0.00 0.00 175.02 175.07 2ds4 s VAL 69 N -0.80 -0.38 -0.57 10.11 0.11 -1.26 -1.59 120.40 126.02 2ds4 s VAL 69 Ca -0.09 0.20 -0.02 0.00 -2.93 0.00 0.00 61.98 59.14 2ds4 s VAL 69 Cb -0.05 -0.48 0.15 0.00 -1.53 0.00 0.00 36.38 34.46 2ds4 s VAL 69 CO 0.01 0.04 0.37 -1.58 -3.33 0.00 0.00 175.10 170.61 2ds4 s GLN 70 N 2.38 2.38 0.20 1.54 2.00 -0.44 -5.02 119.66 122.69 2ds4 s GLN 70 Ca 0.03 -2.38 -0.33 0.00 -2.00 0.00 0.00 55.36 50.68 2ds4 s GLN 70 Cb -0.13 -3.66 -0.14 0.00 0.80 0.00 0.00 33.01 29.89 2ds4 s GLN 70 CO -0.09 -1.14 1.49 -3.47 -0.50 0.00 0.00 175.29 171.57 2ds4 n ASP 71 N 3.70 2.89 -0.09 6.67 -0.08 -1.26 -3.55 116.55 124.83 2ds4 n ASP 71 Ca 0.05 1.11 -0.10 0.00 -1.51 0.00 0.00 54.79 54.35 2ds4 n ASP 71 Cb 0.38 -1.42 -0.11 0.00 2.34 0.00 0.00 41.12 42.31 2ds4 n ASP 71 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2ds4 n ASN 72 N 2.74 1.80 -2.57 1.67 3.02 -1.26 -5.00 115.26 115.65 2ds4 n ASN 72 Ca 0.14 -0.05 -0.20 0.00 -0.03 0.00 0.00 54.58 54.45 2ds4 n ASN 72 Cb 0.30 0.34 0.02 0.00 -0.61 0.00 0.00 39.78 39.83 2ds4 n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2ds4 n LYS 73 N -2.80 -3.64 0.00 3.52 4.01 -1.26 -4.85 118.16 113.14 2ds4 n LYS 73 Ca -0.29 0.85 0.00 0.00 -0.51 0.00 0.00 58.31 58.36 2ds4 n LYS 73 Cb 0.94 -5.49 0.00 0.00 -0.51 0.00 0.00 35.03 29.97 2ds4 n LYS 73 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2ds4 n ASP 74 N -1.96 3.75 0.00 4.39 2.03 -1.26 -4.14 116.55 119.37 2ds4 n ASP 74 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 2ds4 n ASP 74 Cb 0.63 0.48 0.00 0.00 -0.72 0.00 0.00 41.12 41.51 2ds4 n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ds4 n GLY 75 N 2.24 0.46 2.83 0.27 0.00 -1.16 -3.17 105.19 106.66 2ds4 n GLY 75 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2ds4 n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ds4 s THR 76 N 0.00 0.35 0.27 2.61 -4.23 -1.26 -3.24 115.64 110.14 2ds4 s THR 76 Ca 0.00 0.03 -0.02 0.00 -1.18 0.00 0.00 61.69 60.51 2ds4 s THR 76 Cb 0.00 -0.44 -0.04 0.00 1.34 0.00 0.00 72.50 73.35 2ds4 s THR 76 CO 0.00 0.21 0.50 -0.31 -0.54 0.00 0.00 174.62 174.47 2ds4 s TYR 77 N 1.26 3.48 -0.32 3.99 1.51 -1.16 -4.34 117.35 121.78 2ds4 s TYR 77 Ca -0.06 0.48 0.02 0.00 -1.01 0.00 0.00 57.07 56.50 2ds4 s TYR 77 Cb -0.13 -1.97 0.08 0.00 -0.11 0.00 0.00 41.96 39.82 2ds4 s TYR 77 CO -0.02 0.23 0.01 -0.47 -1.11 0.00 0.00 175.55 174.19 2ds4 s TYR 78 N -2.06 3.51 -0.03 2.71 5.04 -1.23 -3.12 117.35 122.17 2ds4 s TYR 78 Ca 0.41 -2.54 0.02 0.00 -2.44 0.00 0.00 57.07 52.52 2ds4 s TYR 78 Cb -0.11 -2.52 -0.03 0.00 0.35 0.00 0.00 41.96 39.65 2ds4 s TYR 78 CO 0.31 -0.91 -0.08 0.42 -1.34 0.00 0.00 175.55 173.95 2ds4 s ILE 79 N 1.05 3.59 -0.06 3.14 1.01 -1.20 -1.33 121.20 127.39 2ds4 s ILE 79 Ca 0.02 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 59.97 2ds4 s ILE 79 Cb -0.20 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 39.79 2ds4 s ILE 79 CO -0.05 0.51 0.16 -0.55 0.00 0.00 0.00 174.94 175.01 2ds4 s SER 80 N -1.07 -0.17 0.02 3.58 0.15 -0.62 -2.35 113.70 113.24 2ds4 s SER 80 Ca 0.14 0.33 -0.06 0.00 0.70 0.00 0.00 55.95 57.06 2ds4 s SER 80 Cb -0.11 0.33 -0.01 0.00 -1.71 0.00 0.00 66.02 64.52 2ds4 s SER 80 CO 0.04 -0.06 0.10 -0.72 1.20 0.00 0.00 173.24 173.80 2ds4 s TYR 81 N 0.11 0.14 -0.13 3.44 -0.85 -0.66 0.60 117.35 120.01 2ds4 s TYR 81 Ca -0.00 -0.35 -0.04 0.00 -0.52 0.00 0.00 57.07 56.16 2ds4 s TYR 81 Cb -0.01 -0.11 0.05 0.00 0.38 0.00 0.00 41.96 42.27 2ds4 s TYR 81 CO 0.00 -0.32 0.07 0.99 -1.52 0.00 0.00 175.55 174.77 2ds4 s THR 82 N -1.98 -0.01 0.29 -3.49 2.01 -1.12 -1.41 115.64 109.93 2ds4 s THR 82 Ca -0.10 -0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.60 2ds4 s THR 82 Cb -0.05 -0.49 -0.10 0.00 0.01 0.00 0.00 72.50 71.88 2ds4 s THR 82 CO -0.02 -0.10 1.24 -2.16 -0.69 0.00 0.00 174.62 172.89 2ds4 s PRO 83 N 2.11 4.45 0.04 4.92 0.04 -1.25 -4.24 135.00 141.07 2ds4 s PRO 83 Ca 0.03 2.05 0.17 0.00 0.04 0.00 0.00 61.00 63.30 2ds4 s PRO 83 Cb -0.15 -3.13 -0.15 0.00 0.04 0.00 0.00 34.50 31.11 2ds4 s PRO 83 CO -0.07 -0.08 0.76 1.63 0.04 0.00 0.00 177.00 179.28 2ds4 n LYS 84 N 1.29 0.63 -4.07 4.56 5.02 -1.26 -1.40 118.16 122.93 2ds4 n LYS 84 Ca 0.01 0.18 -0.13 0.00 -2.02 0.00 0.00 58.31 56.35 2ds4 n LYS 84 Cb 0.43 -1.77 -0.12 0.00 -0.02 0.00 0.00 35.03 33.54 2ds4 n LYS 84 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2ds4 s GLU 85 N -2.94 0.43 0.69 1.97 2.02 -1.26 -4.70 118.70 114.91 2ds4 s GLU 85 Ca -0.04 -0.51 -0.14 0.00 0.02 0.00 0.00 54.97 54.31 2ds4 s GLU 85 Cb 0.09 -0.26 0.01 0.00 0.10 0.00 0.00 34.13 34.07 2ds4 s GLU 85 CO 0.82 0.06 1.11 -1.25 0.02 0.00 0.00 175.26 176.01 2ds4 s PRO 86 N -0.99 2.67 0.00 0.39 0.04 -1.26 -4.90 135.00 130.95 2ds4 s PRO 86 Ca -0.06 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.32 2ds4 s PRO 86 Cb -0.07 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2ds4 s PRO 86 CO 0.00 -1.35 0.00 0.41 0.04 0.00 0.00 177.00 176.10 2ds4 n GLY 87 N -0.67 0.51 3.35 0.56 0.00 -0.35 -4.98 105.19 103.63 2ds4 n GLY 87 Ca 0.10 -1.44 -0.32 0.00 0.00 0.00 0.00 46.02 44.36 2ds4 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ds4 s VAL 88 N -3.62 2.38 0.22 1.61 0.11 -1.26 0.66 120.40 120.51 2ds4 s VAL 88 Ca 0.00 -0.97 0.04 0.00 -2.93 0.00 0.00 61.98 58.12 2ds4 s VAL 88 Cb 0.00 -1.87 -0.05 0.00 -1.53 0.00 0.00 36.38 32.93 2ds4 s VAL 88 CO 0.00 0.58 -0.03 -0.31 -3.33 0.00 0.00 175.10 172.01 2ds4 s TYR 89 N -0.54 1.56 -0.25 1.54 1.51 0.34 -1.95 117.35 119.57 2ds4 s TYR 89 Ca 0.08 -0.87 0.01 0.00 -1.01 0.00 0.00 57.07 55.28 2ds4 s TYR 89 Cb -0.11 -0.89 0.06 0.00 -0.11 0.00 0.00 41.96 40.92 2ds4 s TYR 89 CO 0.00 0.02 -0.06 0.99 -1.11 0.00 0.00 175.55 175.39 2ds4 s THR 90 N -3.36 1.72 -0.13 -0.71 2.01 0.74 -0.44 115.64 115.47 2ds4 s THR 90 Ca 0.27 -1.37 -0.28 0.00 0.31 0.00 0.00 61.69 60.62 2ds4 s THR 90 Cb 0.05 -1.95 -0.01 0.00 0.01 0.00 0.00 72.50 70.59 2ds4 s THR 90 CO 0.08 -0.10 0.93 -0.69 -0.69 0.00 0.00 174.62 174.14 2ds4 s VAL 91 N 1.30 4.83 -0.37 3.82 1.01 -0.70 -2.01 120.40 128.28 2ds4 s VAL 91 Ca -0.06 1.86 -0.12 0.00 0.00 0.00 0.00 61.98 63.66 2ds4 s VAL 91 Cb -0.19 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 31.97 2ds4 s VAL 91 CO -0.06 0.02 0.23 0.26 0.00 0.00 0.00 175.10 175.55 2ds4 s TRP 92 N 2.06 3.23 -0.26 5.22 0.52 0.16 -2.76 118.94 127.12 2ds4 s TRP 92 Ca 0.44 -0.70 0.01 0.00 0.02 0.00 0.00 56.10 55.86 2ds4 s TRP 92 Cb -0.17 -2.48 0.07 0.00 -1.15 0.00 0.00 33.47 29.74 2ds4 s TRP 92 CO 0.15 -0.57 -0.00 0.08 0.02 0.00 0.00 176.95 176.63 2ds4 s VAL 93 N 1.62 1.40 0.03 4.03 1.01 -1.25 -1.77 120.40 125.46 2ds4 s VAL 93 Ca 0.04 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 60.69 2ds4 s VAL 93 Cb -0.19 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2ds4 s VAL 93 CO 0.08 -0.29 -0.05 0.00 0.00 0.00 0.00 175.10 174.84 2ds4 s ILE 95 N -1.25 1.71 -1.44 0.00 1.01 0.39 -0.94 121.20 120.67 2ds4 s ILE 95 Ca -0.12 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.58 2ds4 s ILE 95 Cb -0.09 -1.48 0.05 0.00 0.01 0.00 0.00 42.46 40.95 2ds4 s ILE 95 CO -0.00 0.48 1.09 0.29 0.00 0.00 0.00 174.94 176.80 2ds4 n LYS 96 N 3.33 -6.82 -3.37 2.79 5.02 -0.94 -1.83 118.16 116.35 2ds4 n LYS 96 Ca -0.19 0.72 -0.18 0.00 -2.02 0.00 0.00 58.31 56.64 2ds4 n LYS 96 Cb 0.52 -5.70 0.07 0.00 -0.02 0.00 0.00 35.03 29.91 2ds4 n LYS 96 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2ds4 n GLU 97 N -4.85 -6.46 -3.68 1.97 1.02 -1.26 -5.01 120.64 102.36 2ds4 n GLU 97 Ca 0.02 0.73 -0.10 0.00 -0.02 0.00 0.00 57.16 57.79 2ds4 n GLU 97 Cb 0.55 -5.44 -0.10 0.00 -0.02 0.00 0.00 31.44 26.42 2ds4 n GLU 97 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2ds4 s GLN 98 N -5.75 0.38 -0.02 3.49 -0.21 -0.76 -5.13 119.66 111.66 2ds4 s GLN 98 Ca 0.30 0.86 -0.30 0.00 0.02 0.00 0.00 55.36 56.24 2ds4 s GLN 98 Cb -0.13 0.07 -0.05 0.00 1.00 0.00 0.00 33.01 33.89 2ds4 s GLN 98 CO 0.63 -0.18 1.45 -3.38 -2.12 0.00 0.00 175.29 171.69 2ds4 s HIS 99 N 1.71 2.68 1.14 0.91 -3.43 -1.26 -0.47 115.29 116.57 2ds4 s HIS 99 Ca -0.08 0.70 -0.19 0.00 -0.80 0.00 0.00 55.06 54.69 2ds4 s HIS 99 Cb -0.09 -3.71 0.27 0.00 -1.43 0.00 0.00 32.58 27.62 2ds4 s HIS 99 CO -0.13 -2.70 1.23 0.14 -2.00 0.00 0.00 174.74 171.28 2ds4 s VAL 100 N 2.80 1.72 0.73 -5.38 -7.23 -1.20 -4.58 120.40 107.25 2ds4 s VAL 100 Ca 0.65 0.00 -0.15 0.00 -1.81 0.00 0.00 61.98 60.67 2ds4 s VAL 100 Cb -0.31 -2.72 0.04 0.00 0.56 0.00 0.00 36.38 33.95 2ds4 s VAL 100 CO 0.26 0.00 1.19 -1.58 -0.31 0.00 0.00 175.10 174.66 2ds4 s GLN 101 N -5.73 2.18 -1.52 4.82 0.74 -1.15 -3.30 119.66 115.71 2ds4 s GLN 101 Ca 0.74 1.68 -0.02 0.00 0.05 0.00 0.00 55.36 57.82 2ds4 s GLN 101 Cb -0.05 -1.85 0.00 0.00 1.10 0.00 0.00 33.01 32.22 2ds4 s GLN 101 CO 0.55 -1.79 0.08 0.41 -0.55 0.00 0.00 175.29 173.99 2ds4 n GLY 102 N 0.22 -0.17 3.60 2.59 0.00 -1.26 -4.85 105.19 105.32 2ds4 n GLY 102 Ca 0.13 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 2ds4 n GLY 102 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ds4 s SER 103 N -4.35 -0.36 0.93 1.61 0.15 -1.21 -4.50 113.70 105.97 2ds4 s SER 103 Ca 0.02 0.48 -0.12 0.00 0.70 0.00 0.00 55.95 57.04 2ds4 s SER 103 Cb -0.01 0.42 0.15 0.00 -1.71 0.00 0.00 66.02 64.86 2ds4 s SER 103 CO 0.99 -0.27 1.09 -2.16 1.20 0.00 0.00 173.24 174.09 2ds4 s PRO 104 N -0.75 1.02 0.39 5.44 0.04 -1.26 -4.45 135.00 135.44 2ds4 s PRO 104 Ca 0.00 0.74 0.04 0.00 0.04 0.00 0.00 61.00 61.82 2ds4 s PRO 104 Cb -0.02 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 2ds4 s PRO 104 CO -0.01 -2.38 0.13 -0.59 0.04 0.00 0.00 177.00 174.19 2ds4 s PHE 105 N -2.94 1.78 0.19 0.56 -0.12 -1.11 -4.99 117.98 111.35 2ds4 s PHE 105 Ca 0.64 -1.28 0.05 0.00 -0.05 0.00 0.00 56.93 56.29 2ds4 s PHE 105 Cb -0.18 -1.13 -0.04 0.00 -0.63 0.00 0.00 43.02 41.05 2ds4 s PHE 105 CO 0.57 -0.32 0.20 0.99 -0.05 0.00 0.00 175.22 176.61 2ds4 s THR 106 N -3.25 4.68 -0.08 -4.49 2.01 -1.26 -1.72 115.64 111.53 2ds4 s THR 106 Ca 0.26 -1.10 -0.02 0.00 0.31 0.00 0.00 61.69 61.14 2ds4 s THR 106 Cb 0.03 -3.45 0.04 0.00 0.01 0.00 0.00 72.50 69.13 2ds4 s THR 106 CO 0.15 -0.19 0.05 -0.69 -0.69 0.00 0.00 174.62 173.25 2ds4 s VAL 107 N -1.88 0.06 -0.58 3.82 1.01 0.41 -4.64 120.40 118.61 2ds4 s VAL 107 Ca 0.32 0.19 -0.20 0.00 0.00 0.00 0.00 61.98 62.29 2ds4 s VAL 107 Cb -0.09 -0.37 0.08 0.00 0.00 0.00 0.00 36.38 35.99 2ds4 s VAL 107 CO 0.25 0.10 0.76 -0.89 0.00 0.00 0.00 175.10 175.32 2ds4 s THR 108 N 2.09 4.69 -0.05 3.92 2.01 -1.22 -0.50 115.64 126.57 2ds4 s THR 108 Ca 0.04 -0.59 -0.21 0.00 0.31 0.00 0.00 61.69 61.24 2ds4 s THR 108 Cb -0.13 -4.48 -0.04 0.00 0.01 0.00 0.00 72.50 67.86 2ds4 s THR 108 CO -0.05 -1.10 0.62 -0.69 -0.69 0.00 0.00 174.62 172.71 2ds4 s VAL 109 N 3.09 5.02 0.58 3.82 1.01 0.21 -2.76 120.40 131.37 2ds4 s VAL 109 Ca 0.17 1.28 0.06 0.00 0.00 0.00 0.00 61.98 63.49 2ds4 s VAL 109 Cb -0.20 -3.96 0.08 0.00 0.00 0.00 0.00 36.38 32.30 2ds4 s VAL 109 CO 0.10 0.32 0.80 -0.13 0.00 0.00 0.00 175.10 176.19 2ds4 s ARG 110 N 0.42 2.27 0.02 2.72 0.52 -0.47 -1.21 118.95 123.22 2ds4 s ARG 110 Ca 0.33 -1.35 -0.18 0.00 -0.52 0.00 0.00 55.73 54.01 2ds4 s ARG 110 Cb -0.17 -2.57 -0.06 0.00 0.52 0.00 0.00 34.95 32.67 2ds4 s ARG 110 CO 0.16 -0.89 0.52 1.03 0.02 0.00 0.00 175.30 176.14 2ds4 s ARG 111 N -4.74 4.16 0.51 3.54 0.52 -1.26 0.73 118.95 122.41 2ds4 s ARG 111 Ca 0.61 0.61 -0.21 0.00 -0.52 0.00 0.00 55.73 56.22 2ds4 s ARG 111 Cb -0.07 -3.28 -0.06 0.00 0.52 0.00 0.00 34.95 32.06 2ds4 s ARG 111 CO 0.39 0.55 1.19 0.21 0.02 0.00 0.00 175.30 177.66 2ds4 s LYS 112 N -0.73 3.46 0.00 3.54 2.20 -1.26 -4.75 119.74 122.21 2ds4 s LYS 112 Ca 0.28 1.80 0.26 0.00 -0.36 0.00 0.00 55.97 57.95 2ds4 s LYS 112 Cb -0.18 -2.22 0.72 0.00 -1.51 0.00 0.00 37.83 34.65 2ds4 s LYS 112 CO 0.16 -0.80 1.56 1.58 -0.36 0.00 0.00 175.35 177.49