#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ds4 s SER 2 N 0.00 -0.06 0.31 1.61 0.15 -1.26 -5.18 113.70 109.27 2ds4 s SER 2 Ca 0.00 -0.75 0.10 0.00 0.70 0.00 0.00 55.95 56.00 2ds4 s SER 2 Cb 0.00 0.49 -0.05 0.00 -1.71 0.00 0.00 66.02 64.75 2ds4 s SER 2 CO 0.00 -0.96 -0.04 -0.44 1.20 0.00 0.00 173.24 173.01 2ds4 s SER 3 N -2.94 4.17 0.93 5.45 0.01 -1.26 -5.13 113.70 114.93 2ds4 s SER 3 Ca 0.15 -0.90 -0.11 0.00 1.31 0.00 0.00 55.95 56.40 2ds4 s SER 3 Cb 0.02 -0.58 0.15 0.00 0.21 0.00 0.00 66.02 65.82 2ds4 s SER 3 CO -0.00 -0.11 1.09 -0.83 0.41 0.00 0.00 173.24 173.80 2ds4 s GLY 4 N -3.66 1.63 -0.05 3.44 0.00 -1.26 -4.99 107.32 102.42 2ds4 s GLY 4 Ca 0.33 0.11 -0.30 0.00 0.00 0.00 0.00 44.72 44.85 2ds4 s GLY 4 CO 0.19 0.60 0.98 -1.35 0.00 0.00 0.00 173.10 173.52 2ds4 s SER 5 N -3.09 -0.29 -0.27 1.64 1.04 -1.26 -4.48 113.70 106.99 2ds4 s SER 5 Ca 0.65 -0.01 -0.15 0.00 0.48 0.00 0.00 55.95 56.92 2ds4 s SER 5 Cb -0.20 0.32 -0.11 0.00 0.10 0.00 0.00 66.02 66.12 2ds4 s SER 5 CO 0.58 -0.52 -0.35 -0.24 0.98 0.00 0.00 173.24 173.69 2ds4 n SER 6 N -0.21 1.96 0.08 7.02 2.88 -1.26 -5.06 113.62 119.02 2ds4 n SER 6 Ca -0.06 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 2ds4 n SER 6 Cb 0.61 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 2ds4 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ds4 n GLY 7 N 1.28 -1.76 3.29 0.46 0.00 -1.26 -5.08 105.19 102.12 2ds4 n GLY 7 Ca -0.50 0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 2ds4 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ds4 s GLU 8 N -1.64 1.59 -0.15 1.61 2.02 -1.26 -5.07 118.70 115.80 2ds4 s GLU 8 Ca 0.00 -1.84 -0.15 0.00 0.02 0.00 0.00 54.97 53.00 2ds4 s GLU 8 Cb 0.00 0.33 -0.05 0.00 0.10 0.00 0.00 34.13 34.51 2ds4 s GLU 8 CO 0.00 -0.58 0.34 0.54 0.02 0.00 0.00 175.26 175.57 2ds4 s VAL 9 N -3.65 5.28 -0.10 2.63 0.11 -1.26 -2.51 120.40 120.90 2ds4 s VAL 9 Ca 0.39 0.64 0.01 0.00 -2.93 0.00 0.00 61.98 60.09 2ds4 s VAL 9 Cb 0.03 -3.68 -0.02 0.00 -1.53 0.00 0.00 36.38 31.19 2ds4 s VAL 9 CO 0.21 0.37 -0.14 -0.62 -3.33 0.00 0.00 175.10 171.59 2ds4 s ASP 10 N 0.54 3.98 -0.00 3.54 2.15 -1.00 -4.86 116.67 121.02 2ds4 s ASP 10 Ca 0.19 -0.29 -0.24 0.00 0.43 0.00 0.00 52.55 52.64 2ds4 s ASP 10 Cb -0.13 -1.32 -0.18 0.00 -0.30 0.00 0.00 42.92 40.98 2ds4 s ASP 10 CO 0.05 0.23 1.29 1.55 -0.17 0.00 0.00 175.17 178.13 2ds4 h PRO 11 N 6.21 0.11 0.00 4.34 0.13 -1.88 -2.12 132.00 138.79 2ds4 h PRO 11 Ca -0.33 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2ds4 h PRO 11 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ds4 h PRO 11 CO 0.53 0.57 0.27 0.00 -0.23 0.00 0.00 178.00 179.14 2ds4 h ALA 12 N 0.54 1.26 0.00 -0.56 0.00 -1.88 0.23 119.26 118.86 2ds4 h ALA 12 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 2ds4 h ALA 12 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2ds4 h ALA 12 CO 0.01 -0.26 -1.96 1.63 0.00 0.00 0.00 179.25 178.67 2ds4 n LYS 13 N -2.88 0.66 -0.38 0.00 4.76 -1.14 -4.35 118.16 114.83 2ds4 n LYS 13 Ca -0.02 0.05 -0.29 0.00 -2.87 0.00 0.00 58.31 55.18 2ds4 n LYS 13 Cb 0.32 -1.63 0.28 0.00 -1.84 0.00 0.00 35.03 32.16 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 -2.29 0.00 0.02 0.00 -7.23 -1.23 -4.15 120.40 105.53 2ds4 s VAL 15 Ca 0.69 -1.54 0.05 0.00 -1.81 0.00 0.00 61.98 59.36 2ds4 s VAL 15 Cb -0.20 -2.68 -0.02 0.00 0.56 0.00 0.00 36.38 34.04 2ds4 s VAL 15 CO 0.62 0.00 -0.15 -0.76 -0.31 0.00 0.00 175.10 174.51 2ds4 s LEU 16 N -3.23 2.12 0.16 1.32 1.43 -1.26 -3.11 118.68 116.10 2ds4 s LEU 16 Ca 0.29 -0.38 0.09 0.00 -1.03 0.00 0.00 54.13 53.10 2ds4 s LEU 16 Cb -0.01 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.49 2ds4 s LEU 16 CO 0.20 0.10 -0.13 -1.10 0.23 0.00 0.00 176.35 175.65 2ds4 s GLN 17 N -0.83 1.94 0.00 1.70 -0.21 0.10 -4.99 119.66 117.37 2ds4 s GLN 17 Ca 0.03 -1.25 0.00 0.00 0.02 0.00 0.00 55.36 54.16 2ds4 s GLN 17 Cb -0.07 -2.13 0.00 0.00 1.00 0.00 0.00 33.01 31.81 2ds4 s GLN 17 CO 0.01 0.45 0.00 0.41 -2.12 0.00 0.00 175.29 174.03 2ds4 n GLY 18 N 0.31 3.90 0.05 3.09 0.00 -1.26 -3.20 105.19 108.08 2ds4 n GLY 18 Ca -0.12 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 2ds4 n GLY 18 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ds4 h GLU 19 N 0.00 0.02 -2.44 1.61 4.39 -1.99 -3.33 114.58 112.84 2ds4 h GLU 19 Ca 0.00 -0.01 -0.68 0.00 0.34 0.00 0.00 59.36 59.02 2ds4 h GLU 19 Cb 0.00 -0.00 -0.37 0.00 -0.10 0.00 0.00 28.75 28.28 2ds4 h GLU 19 CO 0.00 0.30 -0.09 -0.25 -1.16 0.00 0.00 179.01 177.81 2ds4 n ASP 20 N -4.94 4.79 0.02 1.42 9.92 -1.26 -4.83 116.55 121.67 2ds4 n ASP 20 Ca -0.08 -3.45 -0.19 0.00 -0.53 0.00 0.00 54.79 50.55 2ds4 n ASP 20 Cb 0.16 -0.88 -0.14 0.00 -0.64 0.00 0.00 41.12 39.62 2ds4 n ASP 20 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2ds4 h LEU 21 N 4.57 0.36 -2.46 0.64 3.38 -1.93 -3.28 115.31 116.58 2ds4 h LEU 21 Ca 0.20 -0.97 -0.11 0.00 0.09 0.00 0.00 57.88 57.09 2ds4 h LEU 21 Cb 0.63 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 2ds4 h LEU 21 CO 1.02 1.30 0.14 1.41 0.09 0.00 0.00 178.44 182.41 2ds4 n HIS 22 N -4.24 1.08 -3.66 1.13 8.25 -1.26 -4.74 115.22 111.78 2ds4 n HIS 22 Ca -0.13 -0.70 -0.12 0.00 -0.26 0.00 0.00 57.72 56.51 2ds4 n HIS 22 Cb 0.74 -0.41 -0.12 0.00 1.12 0.00 0.00 29.99 31.32 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 -1.53 0.20 0.26 -0.41 6.06 -1.24 -3.18 118.95 119.11 2ds4 s ARG 23 Ca 0.23 0.82 0.04 0.00 -2.50 0.00 0.00 55.73 54.31 2ds4 s ARG 23 Cb 0.19 0.06 -0.06 0.00 0.06 0.00 0.00 34.95 35.20 2ds4 s ARG 23 CO 0.05 -0.27 0.01 0.00 -2.50 0.00 0.00 175.30 172.59 2ds4 s ALA 24 N 2.42 2.00 -0.05 6.12 0.00 -0.59 -4.82 121.76 126.85 2ds4 s ALA 24 Ca -0.00 -1.86 0.05 0.00 0.00 0.00 0.00 51.96 50.15 2ds4 s ALA 24 Cb -0.12 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.52 2ds4 s ALA 24 CO -0.10 -0.25 -0.19 0.50 0.00 0.00 0.00 175.76 175.71 2ds4 s ARG 25 N -3.86 1.99 0.29 0.00 6.06 -1.26 -1.77 118.95 120.40 2ds4 s ARG 25 Ca 0.31 -0.70 -0.24 0.00 -2.50 0.00 0.00 55.73 52.60 2ds4 s ARG 25 Cb 0.06 -1.72 -0.16 0.00 0.06 0.00 0.00 34.95 33.19 2ds4 s ARG 25 CO 0.11 0.29 0.31 -1.91 -2.50 0.00 0.00 175.30 171.60 2ds4 n GLU 26 N 3.07 0.00 -3.77 5.12 4.07 0.20 -0.72 120.64 128.60 2ds4 n GLU 26 Ca -0.18 0.00 -0.22 0.00 -0.06 0.00 0.00 57.16 56.70 2ds4 n GLU 26 Cb 0.53 -0.99 -0.07 0.00 -0.06 0.00 0.00 31.44 30.85 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 1.15 -0.95 -4.67 5.31 4.76 0.86 -4.54 118.16 120.08 2ds4 n LYS 27 Ca 0.15 0.07 -0.28 0.00 -2.87 0.00 0.00 58.31 55.37 2ds4 n LYS 27 Cb 0.32 -2.56 -0.14 0.00 -1.84 0.00 0.00 35.03 30.81 2ds4 n LYS 27 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2ds4 s GLN 28 N -6.06 1.52 -0.59 1.97 -0.44 0.10 -4.95 119.66 111.22 2ds4 s GLN 28 Ca 0.03 -1.09 -0.24 0.00 -2.50 0.00 0.00 55.36 51.56 2ds4 s GLN 28 Cb -0.02 -1.73 0.04 0.00 -1.64 0.00 0.00 33.01 29.66 2ds4 s GLN 28 CO 0.71 0.44 1.00 0.99 0.50 0.00 0.00 175.29 178.92 2ds4 s THR 29 N -0.88 4.29 -0.29 -0.34 2.01 -1.26 -4.11 115.64 115.06 2ds4 s THR 29 Ca 0.10 0.24 -0.07 0.00 0.31 0.00 0.00 61.69 62.27 2ds4 s THR 29 Cb -0.10 -4.61 0.00 0.00 0.01 0.00 0.00 72.50 67.81 2ds4 s THR 29 CO 0.03 -1.25 0.07 0.00 -0.69 0.00 0.00 174.62 172.78 2ds4 s ALA 30 N 4.21 3.06 0.12 7.40 0.00 -0.80 -4.96 121.76 130.78 2ds4 s ALA 30 Ca 0.30 -1.40 0.10 0.00 0.00 0.00 0.00 51.96 50.96 2ds4 s ALA 30 Cb -0.12 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 2ds4 s ALA 30 CO 0.18 -0.85 -0.24 -1.54 0.00 0.00 0.00 175.76 173.31 2ds4 s SER 31 N 1.51 2.94 0.19 0.00 1.04 -1.26 -1.92 113.70 116.19 2ds4 s SER 31 Ca 0.03 -0.73 -0.05 0.00 0.48 0.00 0.00 55.95 55.69 2ds4 s SER 31 Cb -0.17 -0.18 -0.03 0.00 0.10 0.00 0.00 66.02 65.74 2ds4 s SER 31 CO 0.02 0.12 0.21 0.72 0.98 0.00 0.00 173.24 175.29 2ds4 s PHE 32 N -1.15 0.82 -0.12 5.02 -0.71 -0.98 -4.98 117.98 115.88 2ds4 s PHE 32 Ca 0.11 -1.12 -0.03 0.00 -1.04 0.00 0.00 56.93 54.85 2ds4 s PHE 32 Cb -0.10 -0.32 -0.03 0.00 -1.21 0.00 0.00 43.02 41.37 2ds4 s PHE 32 CO 0.05 -0.70 -0.02 0.99 -1.34 0.00 0.00 175.22 174.20 2ds4 s THR 33 N -4.08 4.05 -0.29 -4.49 2.01 -1.19 -3.08 115.64 108.56 2ds4 s THR 33 Ca 0.29 -0.32 -0.06 0.00 0.31 0.00 0.00 61.69 61.91 2ds4 s THR 33 Cb 0.05 -2.74 0.01 0.00 0.01 0.00 0.00 72.50 69.84 2ds4 s THR 33 CO 0.07 0.54 0.05 -0.22 -0.69 0.00 0.00 174.62 174.38 2ds4 s LEU 34 N -0.20 3.75 0.22 4.42 2.96 -1.20 -0.72 118.68 127.91 2ds4 s LEU 34 Ca 0.04 -0.77 -0.19 0.00 -0.22 0.00 0.00 54.13 52.99 2ds4 s LEU 34 Cb -0.13 -1.84 -0.08 0.00 0.50 0.00 0.00 46.19 44.64 2ds4 s LEU 34 CO 0.02 -0.19 0.72 -0.76 -1.32 0.00 0.00 176.35 174.82 2ds4 s LEU 35 N 1.46 4.33 -0.19 -0.68 1.43 -1.18 -2.70 118.68 121.15 2ds4 s LEU 35 Ca 0.02 1.39 -0.01 0.00 -1.03 0.00 0.00 54.13 54.50 2ds4 s LEU 35 Cb -0.17 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.45 2ds4 s LEU 35 CO 0.01 0.02 -0.12 0.00 0.23 0.00 0.00 176.35 176.50 2ds4 s LYS 37 N 1.21 2.12 0.66 0.00 3.01 -1.26 -3.44 119.74 122.03 2ds4 s LYS 37 Ca 0.02 -1.98 0.01 0.00 -1.01 0.00 0.00 55.97 53.01 2ds4 s LYS 37 Cb -0.14 -1.83 0.09 0.00 -1.01 0.00 0.00 37.83 34.95 2ds4 s LYS 37 CO -0.05 -0.11 0.91 -0.51 0.51 0.00 0.00 175.35 176.10 2ds4 s ASP 38 N -3.83 4.70 0.40 2.83 1.11 0.12 -2.36 116.67 119.64 2ds4 s ASP 38 Ca 0.37 -0.28 0.27 0.00 0.18 0.00 0.00 52.55 53.09 2ds4 s ASP 38 Cb 0.06 -0.27 1.46 0.00 1.07 0.00 0.00 42.92 45.24 2ds4 s ASP 38 CO 0.20 -1.59 1.83 0.00 1.18 0.00 0.00 175.17 176.78 2ds4 h ALA 39 N -0.29 1.00 0.00 5.23 0.00 -1.82 0.18 119.26 123.57 2ds4 h ALA 39 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2ds4 h ALA 39 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2ds4 h ALA 39 CO 0.44 0.00 -0.56 0.00 0.00 0.00 0.00 179.25 179.13 2ds4 n ALA 40 N -1.85 3.23 -1.26 0.00 0.00 -1.26 -4.95 120.51 114.42 2ds4 n ALA 40 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2ds4 n ALA 40 Cb 0.05 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 1.43 0.97 3.32 0.00 0.00 0.65 -5.08 105.19 106.47 2ds4 n GLY 41 Ca 0.04 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.89 1.25 0.36 1.61 -1.05 -1.26 -4.85 118.70 111.86 2ds4 s GLU 42 Ca 0.00 -1.39 -0.27 0.00 -0.15 0.00 0.00 54.97 53.15 2ds4 s GLU 42 Cb 0.00 -1.27 -0.12 0.00 -0.44 0.00 0.00 34.13 32.30 2ds4 s GLU 42 CO 0.00 0.26 1.27 -0.89 0.95 0.00 0.00 175.26 176.85 2ds4 n ILE 43 N 0.30 2.11 -0.05 1.83 2.08 -1.26 -0.70 119.36 123.67 2ds4 n ILE 43 Ca -0.13 -0.50 -0.06 0.00 0.56 0.00 0.00 62.75 62.62 2ds4 n ILE 43 Cb 0.57 -1.55 -0.05 0.00 -0.75 0.00 0.00 39.64 37.86 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 0.45 1.02 -3.14 0.38 0.00 -1.22 -4.65 117.12 109.96 2ds4 n MET 44 Ca 0.05 0.04 -0.14 0.00 0.00 0.00 0.00 57.70 57.65 2ds4 n MET 44 Cb 0.37 -1.21 0.06 0.00 0.00 0.00 0.00 33.22 32.44 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 2.85 -0.11 3.49 3.17 0.00 -1.26 -4.46 105.19 108.88 2ds4 n GLY 45 Ca -0.17 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 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 -5.44 1.75 -0.41 1.61 1.81 -1.26 -4.68 118.95 112.33 2ds4 s ARG 46 Ca 0.21 -2.00 0.04 0.00 -1.72 0.00 0.00 55.73 52.26 2ds4 s ARG 46 Cb -0.09 -0.95 0.16 0.00 -0.45 0.00 0.00 34.95 33.62 2ds4 s ARG 46 CO 0.51 -0.22 0.39 0.20 -0.68 0.00 0.00 175.30 175.50 2ds4 s GLY 47 N -3.55 0.39 -0.39 -3.53 0.00 -1.26 -2.35 107.32 96.64 2ds4 s GLY 47 Ca 0.33 -1.61 0.09 0.00 0.00 0.00 0.00 44.72 43.54 2ds4 s GLY 47 CO 0.15 2.55 1.38 0.61 0.00 0.00 0.00 173.10 177.79 2ds4 n GLY 48 N 3.44 1.39 3.50 0.20 0.00 -1.26 -4.77 105.19 107.69 2ds4 n GLY 48 Ca 0.20 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.16 3.11 -0.41 1.61 1.01 -1.26 -5.10 116.67 114.47 2ds4 s ASP 49 Ca 0.19 -1.28 -0.07 0.00 0.71 0.00 0.00 52.55 52.11 2ds4 s ASP 49 Cb 0.40 -0.24 0.09 0.00 1.01 0.00 0.00 42.92 44.18 2ds4 s ASP 49 CO -0.09 -0.41 0.22 0.21 0.21 0.00 0.00 175.17 175.31 2ds4 s ASN 50 N -3.55 5.45 0.09 0.27 2.47 -1.26 -5.03 114.94 113.39 2ds4 s ASN 50 Ca 0.33 -1.65 -0.16 0.00 0.42 0.00 0.00 52.86 51.80 2ds4 s ASN 50 Cb 0.06 -1.91 -0.07 0.00 -1.45 0.00 0.00 41.25 37.88 2ds4 s ASN 50 CO 0.15 -0.52 0.52 -0.69 -3.72 0.00 0.00 177.10 172.84 2ds4 s VAL 51 N 1.32 4.86 -0.10 -5.21 1.01 -1.26 -1.50 120.40 119.52 2ds4 s VAL 51 Ca 0.04 0.94 0.01 0.00 0.00 0.00 0.00 61.98 62.97 2ds4 s VAL 51 Cb -0.23 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.39 2ds4 s VAL 51 CO -0.00 0.42 -0.11 -1.10 0.00 0.00 0.00 175.10 174.31 2ds4 s GLN 52 N -1.49 1.80 -0.19 2.72 -0.21 -0.51 -5.01 119.66 116.77 2ds4 s GLN 52 Ca 0.32 -0.40 0.00 0.00 0.02 0.00 0.00 55.36 55.30 2ds4 s GLN 52 Cb -0.17 -1.65 0.04 0.00 1.00 0.00 0.00 33.01 32.24 2ds4 s GLN 52 CO 0.18 -0.13 -0.09 0.08 -2.12 0.00 0.00 175.29 173.21 2ds4 s VAL 53 N 1.21 1.49 -0.20 1.09 1.01 -1.25 -2.55 120.40 121.20 2ds4 s VAL 53 Ca -0.03 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 2ds4 s VAL 53 Cb -0.14 -1.60 0.06 0.00 0.00 0.00 0.00 36.38 34.71 2ds4 s VAL 53 CO -0.03 0.15 0.06 0.00 0.00 0.00 0.00 175.10 175.28 2ds4 s ALA 54 N 1.46 0.84 -0.06 5.51 0.00 -0.89 -4.90 121.76 123.71 2ds4 s ALA 54 Ca -0.01 -0.65 -0.12 0.00 0.00 0.00 0.00 51.96 51.18 2ds4 s ALA 54 Cb -0.16 -1.17 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 2ds4 s ALA 54 CO -0.08 -1.22 0.30 0.08 0.00 0.00 0.00 175.76 174.83 2ds4 s VAL 55 N 1.94 5.24 -0.11 0.00 1.01 -1.26 -1.70 120.40 125.52 2ds4 s VAL 55 Ca 0.01 0.58 -0.04 0.00 0.00 0.00 0.00 61.98 62.53 2ds4 s VAL 55 Cb -0.17 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.68 2ds4 s VAL 55 CO -0.11 0.57 0.23 -0.69 0.00 0.00 0.00 175.10 175.10 2ds4 s VAL 56 N -0.84 -0.30 0.04 2.92 1.01 -1.16 -3.91 120.40 118.15 2ds4 s VAL 56 Ca 0.20 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 2ds4 s VAL 56 Cb -0.15 -0.38 -0.06 0.00 0.00 0.00 0.00 36.38 35.79 2ds4 s VAL 56 CO 0.09 0.12 1.42 -2.16 0.00 0.00 0.00 175.10 174.56 2ds4 s PRO 57 N 2.17 4.29 0.53 2.72 0.04 -1.25 -2.12 135.00 141.37 2ds4 s PRO 57 Ca -0.00 2.03 0.23 0.00 0.04 0.00 0.00 61.00 63.30 2ds4 s PRO 57 Cb -0.12 -3.49 1.36 0.00 0.04 0.00 0.00 34.50 32.30 2ds4 s PRO 57 CO -0.08 -0.55 2.03 0.87 0.04 0.00 0.00 177.00 179.31 2ds4 h LYS 58 N 7.60 0.01 0.03 4.56 1.57 -1.82 -1.94 116.57 126.58 2ds4 h LYS 58 Ca -0.40 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2ds4 h LYS 58 Cb 1.19 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2ds4 h LYS 58 CO 0.89 0.00 -0.02 -0.44 -0.57 0.00 0.00 179.45 179.32 2ds4 h ASP 59 N 0.01 -0.04 -3.40 0.86 3.32 -1.91 -3.42 116.42 111.84 2ds4 h ASP 59 Ca 0.20 -0.39 -0.65 0.00 0.02 0.00 0.00 57.03 56.21 2ds4 h ASP 59 Cb 0.79 0.01 -0.26 0.00 0.22 0.00 0.00 39.33 40.09 2ds4 h ASP 59 CO -0.00 0.37 -0.71 -0.54 -1.72 0.00 0.00 179.24 176.64 2ds4 s LYS 60 N -4.52 3.47 0.12 3.56 -0.14 -0.73 -4.98 119.74 116.51 2ds4 s LYS 60 Ca -0.15 -0.60 0.07 0.00 -1.36 0.00 0.00 55.97 53.93 2ds4 s LYS 60 Cb 0.02 -2.98 -0.21 0.00 -1.68 0.00 0.00 37.83 32.99 2ds4 s LYS 60 CO 0.65 -0.06 1.27 0.87 -0.76 0.00 0.00 175.35 177.33 2ds4 h LYS 61 N 7.67 0.00 0.00 1.68 1.79 -1.83 -3.33 116.57 122.55 2ds4 h LYS 61 Ca -0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 2ds4 h LYS 61 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2ds4 h LYS 61 CO 0.60 0.98 -0.35 -0.44 -1.08 0.00 0.00 179.45 179.16 2ds4 h ASP 62 N 0.00 0.00 0.00 0.86 3.32 -1.94 -3.46 116.42 115.21 2ds4 h ASP 62 Ca -0.01 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.70 2ds4 h ASP 62 Cb 1.77 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 41.25 2ds4 h ASP 62 CO 0.13 0.53 1.34 -0.24 -1.72 0.00 0.00 179.24 179.27 2ds4 n SER 63 N -3.93 -0.11 -3.86 6.45 2.88 -1.26 -4.85 113.62 108.95 2ds4 n SER 63 Ca -0.05 -0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.19 2ds4 n SER 63 Cb 0.18 -0.60 0.24 0.00 -0.75 0.00 0.00 64.21 63.28 2ds4 n SER 63 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2ds4 s PRO 64 N 6.20 -1.16 0.01 -1.46 0.04 -1.26 -4.49 135.00 132.89 2ds4 s PRO 64 Ca 0.99 -0.04 0.04 0.00 0.04 0.00 0.00 61.00 62.03 2ds4 s PRO 64 Cb -0.84 -1.60 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 2ds4 s PRO 64 CO 0.37 -3.67 -0.13 0.08 0.04 0.00 0.00 177.00 173.68 2ds4 s VAL 65 N -3.00 1.06 -0.53 -0.36 1.01 -1.25 -4.92 120.40 112.40 2ds4 s VAL 65 Ca 0.71 -0.78 -0.28 0.00 0.00 0.00 0.00 61.98 61.63 2ds4 s VAL 65 Cb -0.10 -0.92 -0.00 0.00 0.00 0.00 0.00 36.38 35.35 2ds4 s VAL 65 CO 0.56 0.14 1.64 -0.13 0.00 0.00 0.00 175.10 177.31 2ds4 s ARG 66 N -0.73 3.09 0.12 2.72 0.52 -1.25 -4.80 118.95 118.62 2ds4 s ARG 66 Ca 0.03 0.71 0.10 0.00 -0.52 0.00 0.00 55.73 56.05 2ds4 s ARG 66 Cb -0.06 -4.23 -0.04 0.00 0.52 0.00 0.00 34.95 31.14 2ds4 s ARG 66 CO 0.00 -2.18 -0.23 0.95 0.02 0.00 0.00 175.30 173.86 2ds4 s THR 67 N 7.21 2.51 0.01 0.02 -4.23 -1.26 -1.16 115.64 118.73 2ds4 s THR 67 Ca 0.63 -1.65 -0.09 0.00 -1.18 0.00 0.00 61.69 59.40 2ds4 s THR 67 Cb -0.14 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.58 2ds4 s THR 67 CO 0.25 0.09 0.17 -0.32 -0.54 0.00 0.00 174.62 174.28 2ds4 s MET 68 N -2.09 0.55 -0.12 3.99 1.75 0.15 -4.98 119.30 118.54 2ds4 s MET 68 Ca 0.16 -0.42 -0.04 0.00 -1.25 0.00 0.00 55.69 54.14 2ds4 s MET 68 Cb -0.10 0.23 0.06 0.00 2.84 0.00 0.00 34.83 37.86 2ds4 s MET 68 CO 0.08 -0.14 0.16 0.54 -0.65 0.00 0.00 175.02 175.01 2ds4 s VAL 69 N -1.61 -0.25 -0.37 10.11 0.11 -1.26 -0.96 120.40 126.16 2ds4 s VAL 69 Ca -0.13 0.18 -0.15 0.00 -2.93 0.00 0.00 61.98 58.95 2ds4 s VAL 69 Cb -0.06 -0.41 -0.00 0.00 -1.53 0.00 0.00 36.38 34.38 2ds4 s VAL 69 CO 0.01 0.01 0.35 -1.58 -3.33 0.00 0.00 175.10 170.56 2ds4 s GLN 70 N 2.28 3.36 -0.36 1.54 -0.44 -0.18 -5.01 119.66 120.85 2ds4 s GLN 70 Ca 0.04 -0.62 -0.29 0.00 -2.50 0.00 0.00 55.36 51.99 2ds4 s GLN 70 Cb -0.13 -3.87 0.02 0.00 -1.64 0.00 0.00 33.01 27.39 2ds4 s GLN 70 CO -0.07 -0.61 1.18 0.34 0.50 0.00 0.00 175.29 176.62 2ds4 s ASP 71 N 1.74 6.74 -0.21 6.67 -1.08 -1.26 -2.83 116.67 126.44 2ds4 s ASP 71 Ca 0.10 0.93 0.11 0.00 -0.52 0.00 0.00 52.55 53.17 2ds4 s ASP 71 Cb -0.17 -2.54 -0.22 0.00 -1.46 0.00 0.00 42.92 38.52 2ds4 s ASP 71 CO 0.12 -1.08 0.02 0.59 0.52 0.00 0.00 175.17 175.34 2ds4 n ASN 72 N 7.48 0.80 -2.36 -0.34 3.02 -1.26 -5.00 115.26 117.60 2ds4 n ASN 72 Ca 0.13 -0.01 -0.20 0.00 -0.03 0.00 0.00 54.58 54.48 2ds4 n ASN 72 Cb 0.47 0.39 0.00 0.00 -0.61 0.00 0.00 39.78 40.03 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 -2.97 -2.44 -0.63 3.52 4.01 -1.26 -4.88 118.16 113.51 2ds4 n LYS 73 Ca -0.36 0.90 0.03 0.00 -0.51 0.00 0.00 58.31 58.37 2ds4 n LYS 73 Cb 1.09 -5.51 0.20 0.00 -0.51 0.00 0.00 35.03 30.31 2ds4 n LYS 73 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2ds4 n ASP 74 N -1.81 1.98 0.00 4.39 8.00 -1.26 -3.99 116.55 123.86 2ds4 n ASP 74 Ca -0.19 -3.82 0.00 0.00 0.71 0.00 0.00 54.79 51.49 2ds4 n ASP 74 Cb 0.65 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 2ds4 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ds4 n GLY 75 N -1.13 2.97 3.40 0.44 0.00 -0.99 -4.84 105.19 105.04 2ds4 n GLY 75 Ca 0.23 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.20 1.24 0.31 2.61 -4.23 -1.26 -3.32 115.64 108.79 2ds4 s THR 76 Ca 0.00 -2.04 0.08 0.00 -1.18 0.00 0.00 61.69 58.55 2ds4 s THR 76 Cb 0.00 -2.54 -0.06 0.00 1.34 0.00 0.00 72.50 71.24 2ds4 s THR 76 CO 0.00 -0.20 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.49 2ds4 s TYR 77 N -3.28 2.22 -0.39 3.99 1.51 -1.10 -4.17 117.35 116.13 2ds4 s TYR 77 Ca 0.32 -0.57 0.03 0.00 -1.01 0.00 0.00 57.07 55.83 2ds4 s TYR 77 Cb 0.06 -1.25 0.11 0.00 -0.11 0.00 0.00 41.96 40.77 2ds4 s TYR 77 CO 0.12 0.47 0.14 -0.47 -1.11 0.00 0.00 175.55 174.70 2ds4 s TYR 78 N -2.77 2.85 -0.02 2.71 5.04 -1.13 -3.25 117.35 120.79 2ds4 s TYR 78 Ca 0.31 -2.64 -0.06 0.00 -2.44 0.00 0.00 57.07 52.24 2ds4 s TYR 78 Cb 0.03 -2.44 -0.04 0.00 0.35 0.00 0.00 41.96 39.85 2ds4 s TYR 78 CO 0.15 -0.86 0.23 0.42 -1.34 0.00 0.00 175.55 174.14 2ds4 s ILE 79 N 0.74 5.36 -0.02 3.14 1.01 -1.18 -1.01 121.20 129.25 2ds4 s ILE 79 Ca 0.13 0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.88 2ds4 s ILE 79 Cb -0.21 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.73 2ds4 s ILE 79 CO -0.09 0.42 0.08 -0.44 0.00 0.00 0.00 174.94 174.90 2ds4 s SER 80 N -1.59 -0.02 -0.05 3.58 0.01 -0.14 -2.31 113.70 113.17 2ds4 s SER 80 Ca 0.25 0.01 -0.08 0.00 1.31 0.00 0.00 55.95 57.44 2ds4 s SER 80 Cb -0.13 0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.28 2ds4 s SER 80 CO 0.14 -0.12 0.21 -0.72 0.41 0.00 0.00 173.24 173.15 2ds4 s TYR 81 N -0.40 -0.15 -0.27 2.43 -0.85 -0.81 0.30 117.35 117.60 2ds4 s TYR 81 Ca -0.05 0.34 -0.00 0.00 -0.52 0.00 0.00 57.07 56.84 2ds4 s TYR 81 Cb -0.03 0.05 0.08 0.00 0.38 0.00 0.00 41.96 42.44 2ds4 s TYR 81 CO 0.00 -0.20 0.04 0.99 -1.52 0.00 0.00 175.55 174.87 2ds4 s THR 82 N -0.50 1.08 0.35 -3.49 2.01 -0.31 -1.91 115.64 112.87 2ds4 s THR 82 Ca -0.06 -1.25 -0.27 0.00 0.31 0.00 0.00 61.69 60.41 2ds4 s THR 82 Cb -0.04 -1.65 -0.09 0.00 0.01 0.00 0.00 72.50 70.73 2ds4 s THR 82 CO 0.01 -0.43 1.21 -2.16 -0.69 0.00 0.00 174.62 172.56 2ds4 s PRO 83 N 1.55 4.26 -0.11 4.92 0.04 -1.26 -3.85 135.00 140.56 2ds4 s PRO 83 Ca 0.04 1.97 -0.14 0.00 0.04 0.00 0.00 61.00 62.91 2ds4 s PRO 83 Cb -0.18 -2.91 -0.27 0.00 0.04 0.00 0.00 34.50 31.19 2ds4 s PRO 83 CO -0.15 -0.18 0.50 0.87 0.04 0.00 0.00 177.00 178.07 2ds4 h LYS 84 N 3.11 0.25 -6.13 4.56 1.79 -1.95 0.25 116.57 118.44 2ds4 h LYS 84 Ca -0.48 -0.42 -0.56 0.00 -2.18 0.00 0.00 60.65 57.00 2ds4 h LYS 84 Cb 1.23 0.16 -0.19 0.00 -1.58 0.00 0.00 32.23 31.85 2ds4 h LYS 84 CO 0.64 1.20 -0.80 -1.21 -1.08 0.00 0.00 179.45 178.20 2ds4 s GLU 85 N -2.50 1.28 1.09 3.15 2.02 -1.26 -4.39 118.70 118.08 2ds4 s GLU 85 Ca -0.21 -1.36 -0.15 0.00 0.02 0.00 0.00 54.97 53.27 2ds4 s GLU 85 Cb 0.05 -1.45 0.23 0.00 0.10 0.00 0.00 34.13 33.07 2ds4 s GLU 85 CO 0.76 0.31 1.10 -1.25 0.02 0.00 0.00 175.26 176.20 2ds4 s PRO 86 N -2.53 -0.27 0.00 0.39 0.04 -1.26 -4.90 135.00 126.47 2ds4 s PRO 86 Ca 0.14 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.46 2ds4 s PRO 86 Cb -0.07 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.79 2ds4 s PRO 86 CO 0.06 -3.15 0.00 0.41 0.04 0.00 0.00 177.00 174.36 2ds4 n GLY 87 N -1.01 0.58 3.78 0.56 0.00 -0.77 -4.94 105.19 103.40 2ds4 n GLY 87 Ca 0.08 -2.31 -0.39 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.56 4.73 0.35 1.61 0.11 -1.26 -0.04 120.40 125.33 2ds4 s VAL 88 Ca 0.00 1.35 0.04 0.00 -2.93 0.00 0.00 61.98 60.45 2ds4 s VAL 88 Cb 0.00 -3.97 -0.06 0.00 -1.53 0.00 0.00 36.38 30.81 2ds4 s VAL 88 CO 0.00 0.49 0.05 -0.31 -3.33 0.00 0.00 175.10 172.00 2ds4 s TYR 89 N -0.72 2.08 -0.32 1.54 1.51 0.11 -2.44 117.35 119.11 2ds4 s TYR 89 Ca 0.32 -0.91 -0.00 0.00 -1.01 0.00 0.00 57.07 55.47 2ds4 s TYR 89 Cb -0.20 -1.40 0.10 0.00 -0.11 0.00 0.00 41.96 40.36 2ds4 s TYR 89 CO 0.20 0.10 0.10 0.99 -1.11 0.00 0.00 175.55 175.82 2ds4 s THR 90 N -3.16 1.05 -0.25 -0.71 2.01 -0.90 -1.18 115.64 112.50 2ds4 s THR 90 Ca 0.35 -1.54 -0.29 0.00 0.31 0.00 0.00 61.69 60.52 2ds4 s THR 90 Cb 0.09 -1.80 0.00 0.00 0.01 0.00 0.00 72.50 70.80 2ds4 s THR 90 CO 0.16 -0.67 1.15 -0.69 -0.69 0.00 0.00 174.62 173.87 2ds4 s VAL 91 N 1.50 4.44 -0.37 3.82 1.01 -0.87 -2.99 120.40 126.94 2ds4 s VAL 91 Ca 0.10 1.70 -0.17 0.00 0.00 0.00 0.00 61.98 63.61 2ds4 s VAL 91 Cb -0.18 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 31.96 2ds4 s VAL 91 CO -0.23 -0.31 0.44 0.26 0.00 0.00 0.00 175.10 175.26 2ds4 s TRP 92 N 3.61 3.18 -0.28 5.22 0.52 -0.69 -2.77 118.94 127.74 2ds4 s TRP 92 Ca 0.49 -0.05 0.02 0.00 0.02 0.00 0.00 56.10 56.58 2ds4 s TRP 92 Cb -0.16 -2.83 0.07 0.00 -1.15 0.00 0.00 33.47 29.40 2ds4 s TRP 92 CO 0.14 -0.55 -0.03 0.08 0.02 0.00 0.00 176.95 176.61 2ds4 s VAL 93 N 2.20 1.86 -0.02 4.03 1.01 -1.25 -2.10 120.40 126.12 2ds4 s VAL 93 Ca 0.14 -1.67 0.02 0.00 0.00 0.00 0.00 61.98 60.48 2ds4 s VAL 93 Cb -0.16 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.05 2ds4 s VAL 93 CO 0.13 -0.27 -0.09 0.00 0.00 0.00 0.00 175.10 174.87 2ds4 s ILE 95 N 0.09 3.32 -1.05 0.00 1.01 0.37 -1.43 121.20 123.51 2ds4 s ILE 95 Ca -0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 2ds4 s ILE 95 Cb -0.07 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 2ds4 s ILE 95 CO 0.00 0.43 0.88 0.29 0.00 0.00 0.00 174.94 176.55 2ds4 n LYS 96 N 4.70 -5.24 -3.70 2.79 5.02 -0.56 -2.75 118.16 118.42 2ds4 n LYS 96 Ca -0.18 0.76 -0.25 0.00 -2.02 0.00 0.00 58.31 56.62 2ds4 n LYS 96 Cb 0.51 -5.50 0.06 0.00 -0.02 0.00 0.00 35.03 30.08 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 -3.67 -6.87 -3.71 1.97 4.71 -1.26 -4.99 120.64 106.82 2ds4 n GLU 97 Ca -0.22 0.74 -0.12 0.00 -0.01 0.00 0.00 57.16 57.55 2ds4 n GLU 97 Cb 0.64 -5.71 -0.10 0.00 -1.01 0.00 0.00 31.44 25.26 2ds4 n GLU 97 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 2ds4 s GLN 98 N -6.32 0.45 -0.27 3.49 -0.21 -1.11 -5.13 119.66 110.56 2ds4 s GLN 98 Ca 0.53 0.68 -0.27 0.00 0.02 0.00 0.00 55.36 56.31 2ds4 s GLN 98 Cb -0.24 0.12 0.01 0.00 1.00 0.00 0.00 33.01 33.90 2ds4 s GLN 98 CO 0.77 -0.10 0.98 -3.38 -2.12 0.00 0.00 175.29 171.43 2ds4 s HIS 99 N 0.75 3.25 1.19 0.91 -3.43 -1.26 0.14 115.29 116.83 2ds4 s HIS 99 Ca -0.04 1.22 -0.20 0.00 -0.80 0.00 0.00 55.06 55.24 2ds4 s HIS 99 Cb -0.05 -3.36 0.30 0.00 -1.43 0.00 0.00 32.58 28.04 2ds4 s HIS 99 CO -0.05 -0.57 0.91 1.33 -2.00 0.00 0.00 174.74 174.35 2ds4 n VAL 100 N 5.52 0.00 -1.01 -5.38 0.24 -1.14 -4.43 118.33 112.12 2ds4 n VAL 100 Ca 0.10 -0.27 -0.32 0.00 -2.04 0.00 0.00 64.34 61.80 2ds4 n VAL 100 Cb 0.47 -1.09 0.13 0.00 -1.47 0.00 0.00 33.84 31.88 2ds4 n VAL 100 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2ds4 s GLN 101 N -5.10 1.58 -1.59 7.34 0.74 -1.11 -3.25 119.66 118.28 2ds4 s GLN 101 Ca 0.62 1.52 -0.06 0.00 0.05 0.00 0.00 55.36 57.49 2ds4 s GLN 101 Cb -0.08 -1.79 0.06 0.00 1.10 0.00 0.00 33.01 32.30 2ds4 s GLN 101 CO 0.49 -2.21 0.15 0.41 -0.55 0.00 0.00 175.29 173.59 2ds4 n GLY 102 N -0.07 -0.19 3.58 2.59 0.00 -1.26 -4.86 105.19 104.98 2ds4 n GLY 102 Ca 0.12 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.05 -0.68 0.91 1.61 0.15 -1.20 -4.36 113.70 106.08 2ds4 s SER 103 Ca 0.21 1.04 -0.12 0.00 0.70 0.00 0.00 55.95 57.78 2ds4 s SER 103 Cb -0.12 0.96 0.14 0.00 -1.71 0.00 0.00 66.02 65.29 2ds4 s SER 103 CO 0.98 -0.42 1.09 -2.16 1.20 0.00 0.00 173.24 173.93 2ds4 s PRO 104 N -0.43 1.13 0.36 5.44 0.04 -1.26 -4.58 135.00 135.70 2ds4 s PRO 104 Ca -0.05 0.78 0.03 0.00 0.04 0.00 0.00 61.00 61.80 2ds4 s PRO 104 Cb -0.02 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 2ds4 s PRO 104 CO 0.05 -2.32 0.09 -0.59 0.04 0.00 0.00 177.00 174.27 2ds4 s PHE 105 N -2.94 1.85 0.17 0.56 -0.12 -1.11 -5.00 117.98 111.39 2ds4 s PHE 105 Ca 0.64 -1.11 0.04 0.00 -0.05 0.00 0.00 56.93 56.45 2ds4 s PHE 105 Cb -0.18 -1.21 -0.04 0.00 -0.63 0.00 0.00 43.02 40.96 2ds4 s PHE 105 CO 0.57 -0.14 0.20 0.99 -0.05 0.00 0.00 175.22 176.80 2ds4 s THR 106 N -3.29 4.81 -0.03 -4.49 2.01 -1.26 -2.06 115.64 111.33 2ds4 s THR 106 Ca 0.31 -0.97 -0.01 0.00 0.31 0.00 0.00 61.69 61.33 2ds4 s THR 106 Cb 0.06 -3.49 0.03 0.00 0.01 0.00 0.00 72.50 69.11 2ds4 s THR 106 CO 0.15 -0.14 0.05 -0.69 -0.69 0.00 0.00 174.62 173.30 2ds4 s VAL 107 N -1.79 -0.08 -0.44 3.82 1.01 -0.33 -4.52 120.40 118.06 2ds4 s VAL 107 Ca 0.32 0.28 -0.17 0.00 0.00 0.00 0.00 61.98 62.41 2ds4 s VAL 107 Cb -0.10 -0.12 0.03 0.00 0.00 0.00 0.00 36.38 36.19 2ds4 s VAL 107 CO 0.26 0.11 0.46 -0.89 0.00 0.00 0.00 175.10 175.04 2ds4 s THR 108 N 1.42 5.07 0.01 3.92 2.01 -1.19 0.07 115.64 126.94 2ds4 s THR 108 Ca -0.05 -0.45 -0.16 0.00 0.31 0.00 0.00 61.69 61.34 2ds4 s THR 108 Cb -0.13 -4.09 -0.06 0.00 0.01 0.00 0.00 72.50 68.24 2ds4 s THR 108 CO -0.03 -0.50 0.45 -0.69 -0.69 0.00 0.00 174.62 173.16 2ds4 s VAL 109 N 2.16 4.97 0.49 3.82 1.01 0.94 -1.54 120.40 132.25 2ds4 s VAL 109 Ca 0.12 0.93 0.07 0.00 0.00 0.00 0.00 61.98 63.10 2ds4 s VAL 109 Cb -0.18 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2ds4 s VAL 109 CO 0.13 0.56 0.41 -0.13 0.00 0.00 0.00 175.10 176.06 2ds4 s ARG 110 N -0.97 2.35 0.18 2.72 1.81 -0.73 -1.85 118.95 122.46 2ds4 s ARG 110 Ca 0.25 -1.81 -0.29 0.00 -1.72 0.00 0.00 55.73 52.17 2ds4 s ARG 110 Cb -0.17 -2.23 -0.08 0.00 -0.45 0.00 0.00 34.95 32.02 2ds4 s ARG 110 CO 0.14 -0.45 0.90 -0.98 -0.68 0.00 0.00 175.30 174.24 2ds4 s ARG 111 N -4.23 4.74 -0.11 3.54 1.70 -1.26 0.63 118.95 123.96 2ds4 s ARG 111 Ca 0.42 1.39 -0.02 0.00 -0.47 0.00 0.00 55.73 57.05 2ds4 s ARG 111 Cb -0.02 -3.31 -0.03 0.00 -0.57 0.00 0.00 34.95 31.02 2ds4 s ARG 111 CO 0.25 0.43 -0.04 0.21 -1.08 0.00 0.00 175.30 175.07 2ds4 s LYS 112 N -0.78 3.22 0.00 3.89 2.36 -1.26 -4.68 119.74 122.49 2ds4 s LYS 112 Ca 0.41 -0.50 0.23 0.00 -2.55 0.00 0.00 55.97 53.56 2ds4 s LYS 112 Cb -0.24 -2.78 0.18 0.00 -1.05 0.00 0.00 37.83 33.93 2ds4 s LYS 112 CO 0.30 0.49 1.22 -2.39 1.55 0.00 0.00 175.35 176.51