#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 n ASN 2 N 0.00 0.00 -0.04 6.43 5.15 -1.26 -4.85 115.26 120.69 3i20 n ASN 2 Ca 0.00 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.87 3i20 n ASN 2 Cb 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.11 3i20 n ASN 2 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i20 n ILE 3 N -0.01 1.58 -0.15 -1.44 0.00 -1.26 -4.19 119.36 113.88 3i20 n ILE 3 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 62.75 61.97 3i20 n ILE 3 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 39.64 38.62 3i20 n ILE 3 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3i20 n ILE 4 N -3.04 0.00 0.00 9.51 5.41 -1.26 -2.95 119.36 127.02 3i20 n ILE 4 Ca -0.23 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.52 3i20 n ILE 4 Cb 1.07 -0.42 0.00 0.00 -0.71 0.00 0.00 39.64 39.58 3i20 n ILE 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3i20 n LYS 5 N -1.31 0.00 -0.38 0.38 3.00 -1.26 -3.11 118.16 115.48 3i20 n LYS 5 Ca 0.00 0.00 0.38 0.00 -0.00 0.00 0.00 58.31 58.69 3i20 n LYS 5 Cb 0.00 0.00 0.75 0.00 0.00 0.00 0.00 35.03 35.78 3i20 n LYS 5 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 3i20 h GLN 6 N 0.00 0.00 0.00 1.64 -0.00 -1.73 1.40 115.11 116.42 3i20 h GLN 6 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.45 3i20 h GLN 6 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.44 3i20 h GLN 6 CO 0.00 0.00 -1.68 -0.11 0.00 0.00 0.00 178.83 177.04 3i20 n LEU 7 N -4.05 0.63 -0.09 -2.39 7.94 -1.15 -3.72 117.00 114.16 3i20 n LEU 7 Ca 0.29 0.28 -0.18 0.00 -1.11 0.00 0.00 56.01 55.29 3i20 n LEU 7 Cb 1.40 0.15 -0.10 0.00 0.53 0.00 0.00 43.42 45.40 3i20 n LEU 7 CO 0.40 0.22 -0.27 -0.33 -1.11 0.00 0.00 177.39 176.30 3i20 h GLU 8 N 0.00 0.00 0.00 1.96 5.08 -0.70 -3.39 114.58 117.53 3i20 h GLU 8 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3i20 h GLU 8 Cb 1.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.95 3i20 h GLU 8 CO 0.04 0.87 0.00 0.00 -1.00 0.00 0.00 179.01 178.92 3i20 n GLN 9 N -4.50 0.01 -0.02 2.33 10.64 0.44 0.20 117.38 126.48 3i20 n GLN 9 Ca -0.23 0.34 0.12 0.00 -1.83 0.00 0.00 57.00 55.40 3i20 n GLN 9 Cb 0.57 -1.50 0.58 0.00 -0.86 0.00 0.00 30.24 29.03 3i20 n GLN 9 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 3i20 n GLU 10 N -1.48 1.35 -0.01 2.61 0.28 -1.24 -3.77 120.64 118.38 3i20 n GLU 10 Ca 0.02 -0.52 -0.00 0.00 -0.16 0.00 0.00 57.16 56.50 3i20 n GLU 10 Cb 0.10 -1.41 -0.02 0.00 1.43 0.00 0.00 31.44 31.54 3i20 n GLU 10 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3i20 n GLN 11 N -0.31 2.02 -2.21 3.44 6.02 0.53 -5.06 117.38 121.80 3i20 n GLN 11 Ca 0.18 -0.01 -0.40 0.00 -0.01 0.00 0.00 57.00 56.76 3i20 n GLN 11 Cb 0.21 -1.05 -0.02 0.00 1.02 0.00 0.00 30.24 30.40 3i20 n GLN 11 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3i20 s MET 12 N -2.09 4.37 0.33 -1.09 -1.94 -1.10 -5.02 119.30 112.76 3i20 s MET 12 Ca -0.01 2.09 -0.28 0.00 -1.71 0.00 0.00 55.69 55.78 3i20 s MET 12 Cb 0.01 -3.05 -0.09 0.00 2.01 0.00 0.00 34.83 33.71 3i20 s MET 12 CO 0.08 -0.13 1.19 0.15 -0.01 0.00 0.00 175.02 176.31 3i20 s LYS 13 N -1.78 4.37 -0.61 2.03 1.02 -1.26 -5.01 119.74 118.49 3i20 s LYS 13 Ca 0.49 1.96 0.06 0.00 0.02 0.00 0.00 55.97 58.50 3i20 s LYS 13 Cb -0.37 -3.00 0.23 0.00 -0.52 0.00 0.00 37.83 34.18 3i20 s LYS 13 CO 0.49 -0.08 0.66 0.00 -0.92 0.00 0.00 175.35 175.50 3i20 n GLN 14 N 0.72 2.07 0.00 1.68 10.64 -1.26 -4.59 117.38 126.64 3i20 n GLN 14 Ca 0.01 -4.38 0.00 0.00 -1.83 0.00 0.00 57.00 50.79 3i20 n GLN 14 Cb 0.44 -2.09 0.00 0.00 -0.86 0.00 0.00 30.24 27.73 3i20 n GLN 14 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 3i20 n ASP 15 N 1.18 0.00 -4.45 2.61 5.75 -1.26 -5.10 116.55 115.28 3i20 n ASP 15 Ca 0.27 -0.02 -0.55 0.00 -0.01 0.00 0.00 54.79 54.48 3i20 n ASP 15 Cb 0.42 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.42 3i20 n ASP 15 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 3i20 n VAL 16 N 0.00 0.15 -1.01 2.12 0.24 -1.26 -4.91 118.33 113.66 3i20 n VAL 16 Ca 0.00 -0.14 -0.26 0.00 -2.04 0.00 0.00 64.34 61.91 3i20 n VAL 16 Cb 0.00 -1.20 0.21 0.00 -1.47 0.00 0.00 33.84 31.39 3i20 n VAL 16 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3i20 n PRO 17 N 7.31 -2.79 -3.20 7.34 -0.04 -1.26 -4.98 135.00 137.38 3i20 n PRO 17 Ca 0.42 -1.52 -0.40 0.00 -0.04 0.00 0.00 63.50 61.96 3i20 n PRO 17 Cb 0.12 -1.40 -0.07 0.00 -0.04 0.00 0.00 33.50 32.11 3i20 n PRO 17 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3i20 s SER 18 N -4.09 6.54 0.00 3.54 0.15 -1.26 -5.01 113.70 113.56 3i20 s SER 18 Ca 0.61 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.92 3i20 s SER 18 Cb -0.06 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 3i20 s SER 18 CO 0.47 -0.27 0.00 0.49 1.20 0.00 0.00 173.24 175.13 3i20 n PHE 19 N 5.27 0.00 -0.11 3.44 0.99 -1.26 -4.93 117.46 120.86 3i20 n PHE 19 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.42 3i20 n PHE 19 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.98 3i20 n PHE 19 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3i20 n ARG 20 N 0.00 0.00 -1.70 -1.08 0.63 -1.26 -4.77 116.66 108.48 3i20 n ARG 20 Ca 0.00 0.11 -0.43 0.00 -0.92 0.00 0.00 57.85 56.62 3i20 n ARG 20 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 3i20 n ARG 20 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3i20 n PRO 21 N 2.06 2.16 0.00 -0.14 -0.04 -1.26 -1.40 135.00 136.38 3i20 n PRO 21 Ca 0.00 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 3i20 n PRO 21 Cb 0.00 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 3i20 n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i20 n GLY 22 N 1.18 3.10 3.49 0.55 0.00 -0.72 -4.71 105.19 108.07 3i20 n GLY 22 Ca 0.06 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 3i20 n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i20 n ASP 23 N 0.73 -1.30 -0.55 1.61 10.43 -0.49 -3.08 116.55 123.90 3i20 n ASP 23 Ca 0.00 0.10 0.06 0.00 2.57 0.00 0.00 54.79 57.53 3i20 n ASP 23 Cb 0.00 -1.26 0.07 0.00 1.84 0.00 0.00 41.12 41.77 3i20 n ASP 23 CO 0.00 0.00 0.00 1.07 -1.07 0.00 0.00 177.20 177.20 3i20 n THR 24 N -4.44 0.14 0.00 -3.53 5.66 0.80 -2.38 114.28 110.54 3i20 n THR 24 Ca 0.06 -0.57 0.00 0.00 -3.05 0.00 0.00 64.05 60.49 3i20 n THR 24 Cb 0.55 1.16 0.00 0.00 -1.55 0.00 0.00 70.33 70.49 3i20 n THR 24 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 3i20 n VAL 25 N 0.72 0.00 -4.08 1.08 3.14 0.11 -3.63 118.33 115.67 3i20 n VAL 25 Ca 0.08 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.14 3i20 n VAL 25 Cb 0.34 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 32.97 3i20 n VAL 25 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 3i20 s GLU 26 N 0.00 2.42 -0.24 1.45 2.12 -0.07 -2.42 118.70 121.96 3i20 s GLU 26 Ca 0.00 -1.23 -0.19 0.00 0.36 0.00 0.00 54.97 53.91 3i20 s GLU 26 Cb 0.00 -2.82 -0.02 0.00 0.26 0.00 0.00 34.13 31.55 3i20 s GLU 26 CO 0.00 -0.49 0.57 0.08 -0.54 0.00 0.00 175.26 174.88 3i20 s VAL 27 N 1.15 5.04 0.16 3.70 1.01 0.26 -2.89 120.40 128.83 3i20 s VAL 27 Ca -0.06 1.02 -0.25 0.00 0.00 0.00 0.00 61.98 62.69 3i20 s VAL 27 Cb -0.18 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.24 3i20 s VAL 27 CO -0.07 0.08 0.78 -0.54 0.00 0.00 0.00 175.10 175.35 3i20 s LYS 28 N 2.23 4.57 -0.06 2.72 1.02 -0.62 -0.91 119.74 128.70 3i20 s LYS 28 Ca 0.24 1.16 0.00 0.00 0.02 0.00 0.00 55.97 57.39 3i20 s LYS 28 Cb -0.16 -3.27 0.02 0.00 -0.52 0.00 0.00 37.83 33.91 3i20 s LYS 28 CO 0.09 0.55 -0.03 0.08 -0.92 0.00 0.00 175.35 175.12 3i20 s VAL 29 N -1.08 0.53 0.22 3.17 1.01 0.15 -3.66 120.40 120.73 3i20 s VAL 29 Ca 0.36 -0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.97 3i20 s VAL 29 Cb -0.23 -0.59 -0.11 0.00 0.00 0.00 0.00 36.38 35.45 3i20 s VAL 29 CO 0.26 0.25 1.58 0.26 0.00 0.00 0.00 175.10 177.45 3i20 s TRP 30 N 1.29 2.95 -0.08 5.22 0.52 -0.35 -0.58 118.94 127.91 3i20 s TRP 30 Ca -0.05 0.68 -0.06 0.00 0.02 0.00 0.00 56.10 56.69 3i20 s TRP 30 Cb -0.14 -3.99 0.03 0.00 -1.15 0.00 0.00 33.47 28.22 3i20 s TRP 30 CO -0.02 -3.50 0.20 0.54 0.02 0.00 0.00 176.95 174.18 3i20 s VAL 31 N 0.64 -0.01 -0.24 4.03 0.11 -0.83 -4.89 120.40 119.21 3i20 s VAL 31 Ca 0.67 0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 59.47 3i20 s VAL 31 Cb -0.46 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.08 3i20 s VAL 31 CO 0.38 0.02 1.56 -0.69 -3.33 0.00 0.00 175.10 173.04 3i20 s VAL 32 N 0.39 3.77 0.00 2.04 1.01 -1.26 -3.11 120.40 123.24 3i20 s VAL 32 Ca -0.02 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.82 3i20 s VAL 32 Cb -0.04 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3i20 s VAL 32 CO -0.02 -0.34 0.53 1.21 0.00 0.00 0.00 175.10 176.48 3i20 n GLU 33 N 7.64 0.00 0.00 2.72 4.07 0.23 -4.94 120.64 130.36 3i20 n GLU 33 Ca 0.18 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.31 3i20 n GLU 33 Cb 0.46 -1.03 0.00 0.00 -0.06 0.00 0.00 31.44 30.81 3i20 n GLU 33 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i20 n GLY 34 N -0.49 -0.29 0.02 8.31 0.00 -1.26 -4.88 105.19 106.60 3i20 n GLY 34 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.02 3i20 n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i20 n SER 35 N -2.00 0.33 -3.19 1.61 7.64 -1.26 -5.04 113.62 111.71 3i20 n SER 35 Ca 0.00 -0.66 -0.17 0.00 1.01 0.00 0.00 58.87 59.05 3i20 n SER 35 Cb 0.00 0.76 -0.04 0.00 -1.01 0.00 0.00 64.21 63.92 3i20 n SER 35 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3i20 n LYS 36 N -0.76 0.96 -2.96 1.43 4.01 -1.26 -5.12 118.16 114.46 3i20 n LYS 36 Ca 0.00 -2.11 -0.13 0.00 -0.51 0.00 0.00 58.31 55.56 3i20 n LYS 36 Cb 0.03 0.89 -0.01 0.00 -0.51 0.00 0.00 35.03 35.43 3i20 n LYS 36 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 3i20 n LYS 37 N -0.63 0.59 -2.51 1.97 0.00 -1.26 -0.60 118.16 115.72 3i20 n LYS 37 Ca -0.07 -2.38 -0.13 0.00 -0.00 0.00 0.00 58.31 55.73 3i20 n LYS 37 Cb 0.37 -1.45 0.02 0.00 -0.00 0.00 0.00 35.03 33.97 3i20 n LYS 37 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3i20 n ARG 38 N 2.18 0.89 -3.68 -1.58 1.85 -1.18 -4.82 116.66 110.31 3i20 n ARG 38 Ca 0.18 -1.92 -0.37 0.00 -1.00 0.00 0.00 57.85 54.74 3i20 n ARG 38 Cb 0.56 0.04 -0.06 0.00 -1.05 0.00 0.00 32.46 31.94 3i20 n ARG 38 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3i20 s LEU 39 N 0.00 4.35 0.12 2.89 1.02 -1.26 -1.96 118.68 123.84 3i20 s LEU 39 Ca 0.27 0.57 0.03 0.00 0.02 0.00 0.00 54.13 55.03 3i20 s LEU 39 Cb -0.02 -2.28 -0.04 0.00 0.02 0.00 0.00 46.19 43.87 3i20 s LEU 39 CO 0.17 0.28 0.15 -1.58 0.02 0.00 0.00 176.35 175.39 3i20 s GLN 40 N -0.50 3.05 -0.14 1.70 0.74 0.25 -4.87 119.66 119.90 3i20 s GLN 40 Ca 0.17 -0.71 -0.03 0.00 0.05 0.00 0.00 55.36 54.84 3i20 s GLN 40 Cb -0.13 -2.78 -0.03 0.00 1.10 0.00 0.00 33.01 31.17 3i20 s GLN 40 CO 0.06 0.53 -0.05 0.00 -0.55 0.00 0.00 175.29 175.28 3i20 s ALA 41 N -1.60 2.99 -0.09 1.58 0.00 -1.26 0.31 121.76 123.68 3i20 s ALA 41 Ca 0.31 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.46 3i20 s ALA 41 Cb -0.11 -1.49 0.01 0.00 0.00 0.00 0.00 23.12 21.53 3i20 s ALA 41 CO 0.24 0.28 -0.14 0.12 0.00 0.00 0.00 175.76 176.26 3i20 s PHE 42 N 0.15 1.79 -0.17 0.00 2.19 -0.08 -5.01 117.98 116.85 3i20 s PHE 42 Ca -0.02 -0.78 -0.04 0.00 0.33 0.00 0.00 56.93 56.42 3i20 s PHE 42 Cb -0.14 -1.30 0.07 0.00 -1.31 0.00 0.00 43.02 40.34 3i20 s PHE 42 CO 0.03 -0.41 0.14 -2.00 1.83 0.00 0.00 175.22 174.82 3i20 s GLU 43 N 0.90 0.10 0.00 10.12 2.12 -1.26 0.92 118.70 131.60 3i20 s GLU 43 Ca -0.09 0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.35 3i20 s GLU 43 Cb -0.15 -1.38 0.00 0.00 0.26 0.00 0.00 34.13 32.85 3i20 s GLU 43 CO 0.00 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 174.52 3i20 n GLY 44 N 5.30 2.74 3.66 -1.50 0.00 -1.01 -4.90 105.19 109.48 3i20 n GLY 44 Ca -0.06 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 3i20 n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i20 s VAL 45 N -2.72 4.94 0.03 1.61 1.01 0.53 -3.79 120.40 122.01 3i20 s VAL 45 Ca 0.00 1.43 -0.30 0.00 0.00 0.00 0.00 61.98 63.11 3i20 s VAL 45 Cb 0.00 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 3i20 s VAL 45 CO 0.00 0.06 1.74 -0.69 0.00 0.00 0.00 175.10 176.21 3i20 s VAL 46 N 2.09 3.16 -0.04 2.92 1.01 -1.00 -0.30 120.40 128.23 3i20 s VAL 46 Ca 0.34 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.73 3i20 s VAL 46 Cb -0.16 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.96 3i20 s VAL 46 CO 0.11 -0.02 0.83 2.30 0.00 0.00 0.00 175.10 178.32 3i20 n ILE 47 N 5.14 0.64 -3.60 2.22 -5.35 0.22 -1.75 119.36 116.88 3i20 n ILE 47 Ca 0.17 -0.82 -0.08 0.00 -0.27 0.00 0.00 62.75 61.76 3i20 n ILE 47 Cb 0.41 0.68 -0.05 0.00 -1.74 0.00 0.00 39.64 38.95 3i20 n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i20 s ALA 48 N -0.65 -1.99 -0.06 -1.28 0.00 -1.25 -0.18 121.76 116.34 3i20 s ALA 48 Ca 0.01 1.68 0.01 0.00 0.00 0.00 0.00 51.96 53.66 3i20 s ALA 48 Cb 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 22.20 3i20 s ALA 48 CO 0.01 -0.30 -0.09 0.42 0.00 0.00 0.00 175.76 175.80 3i20 s ILE 49 N -1.13 0.91 0.00 0.00 1.01 -1.26 -2.13 121.20 118.59 3i20 s ILE 49 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.34 3i20 s ILE 49 Cb -0.01 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.59 3i20 s ILE 49 CO -0.02 0.31 0.00 -2.11 0.00 0.00 0.00 174.94 173.12 3i20 n ARG 50 N 4.05 0.00 -1.40 2.79 -4.01 -0.60 -4.99 116.66 112.50 3i20 n ARG 50 Ca -0.22 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.59 3i20 n ARG 50 Cb 0.51 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.93 3i20 n ARG 50 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 3i20 n ASN 51 N 0.00 -1.87 -2.96 2.89 3.02 -1.26 -4.91 115.26 110.16 3i20 n ASN 51 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.41 3i20 n ASN 51 Cb 0.00 -0.94 0.02 0.00 -0.61 0.00 0.00 39.78 38.25 3i20 n ASN 51 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i20 n ARG 52 N -0.93 1.03 0.00 3.52 5.12 -1.26 -4.98 116.66 119.16 3i20 n ARG 52 Ca 0.00 -2.94 0.00 0.00 -1.93 0.00 0.00 57.85 52.98 3i20 n ARG 52 Cb 0.46 -1.37 0.00 0.00 -1.16 0.00 0.00 32.46 30.39 3i20 n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i20 n GLY 53 N 0.18 1.46 0.30 -0.13 0.00 -1.26 0.12 105.19 105.86 3i20 n GLY 53 Ca 0.16 0.32 0.19 0.00 0.00 0.00 0.00 46.02 46.69 3i20 n GLY 53 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i20 h LEU 54 N 0.00 0.00 -3.53 0.99 5.85 -2.00 -0.86 115.31 115.77 3i20 h LEU 54 Ca 0.00 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.47 3i20 h LEU 54 Cb 0.00 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 40.88 3i20 h LEU 54 CO 0.00 0.02 0.32 1.41 -0.34 0.00 0.00 178.44 179.84 3i20 n HIS 55 N -3.16 2.31 -2.52 1.25 8.25 0.33 -4.68 115.22 117.00 3i20 n HIS 55 Ca -0.01 -1.21 -0.41 0.00 -0.26 0.00 0.00 57.72 55.83 3i20 n HIS 55 Cb 0.20 -0.68 -0.04 0.00 1.12 0.00 0.00 29.99 30.59 3i20 n HIS 55 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3i20 s SER 56 N -0.86 7.28 -0.25 0.41 0.01 -0.33 -4.50 113.70 115.46 3i20 s SER 56 Ca 0.49 2.10 -0.11 0.00 1.31 0.00 0.00 55.95 59.74 3i20 s SER 56 Cb 0.40 -2.61 0.10 0.00 0.21 0.00 0.00 66.02 64.12 3i20 s SER 56 CO 0.12 -0.19 0.58 0.00 0.41 0.00 0.00 173.24 174.15 3i20 s ALA 57 N -0.37 -1.67 0.51 1.44 0.00 -1.26 -0.16 121.76 120.24 3i20 s ALA 57 Ca 0.48 2.09 0.06 0.00 0.00 0.00 0.00 51.96 54.59 3i20 s ALA 57 Cb -0.29 -1.46 0.04 0.00 0.00 0.00 0.00 23.12 21.41 3i20 s ALA 57 CO 0.35 -0.63 0.71 -0.59 0.00 0.00 0.00 175.76 175.60 3i20 s PHE 58 N 2.24 2.38 -0.05 0.00 -0.12 -1.18 -1.55 117.98 119.71 3i20 s PHE 58 Ca -0.07 -0.37 0.02 0.00 -0.05 0.00 0.00 56.93 56.46 3i20 s PHE 58 Cb -0.09 -2.49 0.01 0.00 -0.63 0.00 0.00 43.02 39.82 3i20 s PHE 58 CO -0.17 -0.82 -0.10 0.99 -0.05 0.00 0.00 175.22 175.07 3i20 s THR 59 N -2.59 0.93 -0.14 -4.49 2.01 -0.91 -2.43 115.64 108.02 3i20 s THR 59 Ca 0.58 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 62.22 3i20 s THR 59 Cb -0.09 -0.86 0.02 0.00 0.01 0.00 0.00 72.50 71.58 3i20 s THR 59 CO 0.37 0.30 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.73 3i20 s VAL 60 N 0.57 1.78 0.18 3.82 1.01 -0.13 -0.61 120.40 127.03 3i20 s VAL 60 Ca -0.11 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 3i20 s VAL 60 Cb -0.14 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 3i20 s VAL 60 CO 0.02 0.50 0.40 -0.60 0.00 0.00 0.00 175.10 175.42 3i20 s ARG 61 N 1.07 3.58 0.00 2.72 3.00 0.58 -1.16 118.95 128.74 3i20 s ARG 61 Ca -0.03 -0.19 0.00 0.00 -1.00 0.00 0.00 55.73 54.51 3i20 s ARG 61 Cb -0.14 -2.82 0.00 0.00 0.00 0.00 0.00 34.95 31.98 3i20 s ARG 61 CO -0.05 0.41 0.00 1.17 0.00 0.00 0.00 175.30 176.83 3i20 n LYS 62 N -0.35 0.09 -3.64 5.12 4.81 -1.04 -0.35 118.16 122.80 3i20 n LYS 62 Ca -0.03 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.13 3i20 n LYS 62 Cb 0.53 -0.56 0.03 0.00 0.02 0.00 0.00 35.03 35.06 3i20 n LYS 62 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3i20 n ILE 63 N -1.42 -5.96 -2.69 3.15 5.41 -1.26 -4.88 119.36 111.71 3i20 n ILE 63 Ca 0.00 -0.78 -0.38 0.00 1.00 0.00 0.00 62.75 62.59 3i20 n ILE 63 Cb 0.06 -4.41 -0.06 0.00 -0.71 0.00 0.00 39.64 34.52 3i20 n ILE 63 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3i20 s SER 64 N -3.36 7.27 0.00 4.38 0.15 -1.09 -4.80 113.70 116.25 3i20 s SER 64 Ca 0.38 1.95 0.00 0.00 0.70 0.00 0.00 55.95 58.98 3i20 s SER 64 Cb -0.14 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 3i20 s SER 64 CO 0.86 -0.12 0.00 -0.46 1.20 0.00 0.00 173.24 174.72 3i20 n ASN 65 N 0.68 0.00 0.00 5.45 6.94 -1.26 -2.29 115.26 124.78 3i20 n ASN 65 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.57 3i20 n ASN 65 Cb 0.49 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.91 3i20 n ASN 65 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i20 n GLY 66 N 0.00 1.01 0.00 4.83 0.00 -1.26 -5.01 105.19 104.77 3i20 n GLY 66 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3i20 n GLY 66 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i20 n GLU 67 N 0.00 0.00 -1.58 1.61 4.07 -0.97 -5.08 120.64 118.69 3i20 n GLU 67 Ca 0.00 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.79 3i20 n GLU 67 Cb 0.00 0.00 0.05 0.00 -0.06 0.00 0.00 31.44 31.43 3i20 n GLU 67 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 3i20 s GLY 68 N -0.55 1.66 -0.30 8.31 0.00 -1.26 -2.67 107.32 112.52 3i20 s GLY 68 Ca 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 44.72 44.68 3i20 s GLY 68 CO 0.00 0.36 0.65 0.54 0.00 0.00 0.00 173.10 174.64 3i20 s VAL 69 N -3.07 -0.98 0.27 1.40 0.11 -1.26 -4.77 120.40 112.11 3i20 s VAL 69 Ca 0.58 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.63 3i20 s VAL 69 Cb -0.14 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.67 3i20 s VAL 69 CO 0.55 0.00 0.47 -1.61 -3.33 0.00 0.00 175.10 171.18 3i20 s GLU 70 N 2.88 3.52 0.01 1.54 2.02 -1.26 -2.50 118.70 124.91 3i20 s GLU 70 Ca 0.02 -0.32 -0.04 0.00 0.02 0.00 0.00 54.97 54.65 3i20 s GLU 70 Cb -0.13 -2.75 -0.01 0.00 0.10 0.00 0.00 34.13 31.35 3i20 s GLU 70 CO -0.19 0.28 0.05 0.50 0.02 0.00 0.00 175.26 175.92 3i20 s ARG 71 N -3.80 0.40 -0.44 1.61 3.52 -0.31 -4.96 118.95 114.97 3i20 s ARG 71 Ca 0.39 -0.51 0.02 0.00 -0.13 0.00 0.00 55.73 55.51 3i20 s ARG 71 Cb -0.10 0.16 0.13 0.00 -1.56 0.00 0.00 34.95 33.58 3i20 s ARG 71 CO 0.32 -0.08 0.24 0.14 -0.81 0.00 0.00 175.30 175.10 3i20 s VAL 72 N -1.44 1.44 0.69 7.11 -7.23 -1.26 -0.95 120.40 118.76 3i20 s VAL 72 Ca -0.15 -2.57 -0.14 0.00 -1.81 0.00 0.00 61.98 57.31 3i20 s VAL 72 Cb -0.09 -2.01 0.02 0.00 0.56 0.00 0.00 36.38 34.86 3i20 s VAL 72 CO 0.00 -0.89 1.11 -0.36 -0.31 0.00 0.00 175.10 174.65 3i20 s PHE 73 N 0.34 2.56 -0.47 2.82 0.08 -1.02 -4.91 117.98 117.39 3i20 s PHE 73 Ca 0.18 1.56 -0.11 0.00 0.12 0.00 0.00 56.93 58.68 3i20 s PHE 73 Cb -0.24 -3.16 0.11 0.00 -0.57 0.00 0.00 43.02 39.15 3i20 s PHE 73 CO 0.00 -1.78 0.35 -0.65 -0.10 0.00 0.00 175.22 173.04 3i20 s GLN 74 N -4.27 2.62 0.37 0.44 -1.52 -1.26 -3.09 119.66 112.95 3i20 s GLN 74 Ca 0.66 -1.64 0.12 0.00 -1.95 0.00 0.00 55.36 52.55 3i20 s GLN 74 Cb -0.20 -3.95 0.91 0.00 -0.22 0.00 0.00 33.01 29.55 3i20 s GLN 74 CO 0.45 -1.13 1.85 1.79 -0.25 0.00 0.00 175.29 178.00 3i20 h THR 75 N 6.05 0.76 -0.28 -0.19 1.35 -0.91 0.20 112.91 119.89 3i20 h THR 75 Ca -0.23 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3i20 h THR 75 Cb 1.08 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3i20 h THR 75 CO 0.86 0.11 0.00 1.41 -0.25 0.00 0.00 175.52 177.65 3i20 n HIS 76 N -4.57 0.62 -2.67 4.73 8.25 -1.26 -4.91 115.22 115.41 3i20 n HIS 76 Ca 0.19 -0.25 -0.41 0.00 -0.26 0.00 0.00 57.72 56.99 3i20 n HIS 76 Cb 0.57 -0.12 -0.04 0.00 1.12 0.00 0.00 29.99 31.52 3i20 n HIS 76 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3i20 s SER 77 N -0.69 7.43 0.45 0.41 0.15 0.71 -4.80 113.70 117.36 3i20 s SER 77 Ca 0.21 1.85 0.30 0.00 0.70 0.00 0.00 55.95 59.02 3i20 s SER 77 Cb 0.14 -2.59 1.61 0.00 -1.71 0.00 0.00 66.02 63.47 3i20 s SER 77 CO 0.11 -0.12 1.91 -0.65 1.20 0.00 0.00 173.24 175.68 3i20 h PRO 78 N 5.60 0.00 0.00 5.44 0.11 -1.91 0.07 132.00 141.31 3i20 h PRO 78 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3i20 h PRO 78 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3i20 h PRO 78 CO 0.72 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 179.84 3i20 n VAL 79 N -2.55 0.16 0.02 3.15 0.24 -1.26 -3.93 118.33 114.16 3i20 n VAL 79 Ca -0.02 0.04 -0.01 0.00 -2.04 0.00 0.00 64.34 62.31 3i20 n VAL 79 Cb 0.05 -0.58 -0.01 0.00 -1.47 0.00 0.00 33.84 31.83 3i20 n VAL 79 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3i20 h VAL 80 N 0.00 0.00 0.00 3.34 2.07 -1.25 -0.92 116.25 119.48 3i20 h VAL 80 Ca 0.00 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3i20 h VAL 80 Cb 0.41 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3i20 h VAL 80 CO 0.00 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 176.92 3i20 n ASP 81 N -2.82 0.00 -4.03 0.57 2.03 -1.25 -3.97 116.55 107.07 3i20 n ASP 81 Ca -0.01 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.14 3i20 n ASP 81 Cb 0.03 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.30 3i20 n ASP 81 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3i20 s SER 82 N 0.00 0.94 -0.17 1.67 0.15 -1.24 -5.06 113.70 109.99 3i20 s SER 82 Ca 0.00 -0.30 -0.08 0.00 0.70 0.00 0.00 55.95 56.26 3i20 s SER 82 Cb 0.00 -0.05 0.07 0.00 -1.71 0.00 0.00 66.02 64.32 3i20 s SER 82 CO 0.00 -0.01 0.39 -0.51 1.20 0.00 0.00 173.24 174.31 3i20 s ILE 83 N -0.64 -0.18 0.23 6.45 -1.16 -1.26 -1.58 121.20 123.06 3i20 s ILE 83 Ca -0.01 0.12 0.02 0.00 -0.51 0.00 0.00 60.65 60.27 3i20 s ILE 83 Cb -0.06 -0.60 -0.05 0.00 0.61 0.00 0.00 42.46 42.36 3i20 s ILE 83 CO 0.00 0.05 0.04 -0.94 -2.81 0.00 0.00 174.94 171.28 3i20 s SER 84 N 1.70 1.41 -0.17 4.50 1.04 -1.14 -4.62 113.70 116.42 3i20 s SER 84 Ca -0.07 -1.27 -0.13 0.00 0.48 0.00 0.00 55.95 54.95 3i20 s SER 84 Cb -0.09 0.10 -0.06 0.00 0.10 0.00 0.00 66.02 66.06 3i20 s SER 84 CO -0.12 -0.62 -0.18 0.55 0.98 0.00 0.00 173.24 173.85 3i20 n VAL 85 N -0.39 1.46 0.00 5.02 3.14 -1.26 -0.89 118.33 125.41 3i20 n VAL 85 Ca -0.03 0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 3i20 n VAL 85 Cb 0.65 -2.30 0.00 0.00 -1.06 0.00 0.00 33.84 31.12 3i20 n VAL 85 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3i20 n LYS 86 N -4.53 0.00 -4.04 1.45 4.76 -1.26 0.05 118.16 114.59 3i20 n LYS 86 Ca -0.15 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.16 3i20 n LYS 86 Cb 0.43 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.50 3i20 n LYS 86 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3i20 s ARG 87 N 0.00 0.41 -0.40 1.97 3.52 -1.26 -5.01 118.95 118.17 3i20 s ARG 87 Ca 0.00 -0.54 -0.03 0.00 -0.13 0.00 0.00 55.73 55.04 3i20 s ARG 87 Cb 0.00 -0.20 0.11 0.00 -1.56 0.00 0.00 34.95 33.30 3i20 s ARG 87 CO 0.00 0.03 0.18 0.50 -0.81 0.00 0.00 175.30 175.21 3i20 s ARG 88 N -1.11 2.00 0.43 5.12 3.52 -1.26 -0.14 118.95 127.51 3i20 s ARG 88 Ca -0.08 -1.79 -0.12 0.00 -0.13 0.00 0.00 55.73 53.61 3i20 s ARG 88 Cb -0.07 -3.54 -0.07 0.00 -1.56 0.00 0.00 34.95 29.71 3i20 s ARG 88 CO -0.00 -1.04 0.82 0.20 -0.81 0.00 0.00 175.30 174.47 3i20 s GLY 89 N 1.74 1.98 -0.21 8.12 0.00 -1.18 -0.48 107.32 117.30 3i20 s GLY 89 Ca 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 44.72 44.68 3i20 s GLY 89 CO -0.04 0.11 -0.11 0.00 0.00 0.00 0.00 173.10 173.06 3i20 s ALA 90 N -2.42 2.58 0.00 3.20 0.00 -0.74 -4.26 121.76 120.12 3i20 s ALA 90 Ca 0.53 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3i20 s ALA 90 Cb -0.10 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.53 3i20 s ALA 90 CO 0.31 -0.52 0.00 1.33 0.00 0.00 0.00 175.76 176.88 3i20 n VAL 91 N 4.68 0.00 -3.68 0.00 0.24 -1.26 -4.24 118.33 114.07 3i20 n VAL 91 Ca -0.19 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.80 3i20 n VAL 91 Cb 0.49 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.88 3i20 n VAL 91 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 3i20 n ARG 92 N -0.38 -1.71 0.00 7.34 1.85 -1.26 -4.95 116.66 117.55 3i20 n ARG 92 Ca 0.00 1.03 0.00 0.00 -1.00 0.00 0.00 57.85 57.88 3i20 n ARG 92 Cb 0.00 -2.11 0.00 0.00 -1.05 0.00 0.00 32.46 29.30 3i20 n ARG 92 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3i20 n LYS 93 N -1.57 0.00 -0.05 2.89 3.00 -1.26 -5.07 118.16 116.10 3i20 n LYS 93 Ca -0.22 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 57.96 3i20 n LYS 93 Cb 0.69 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.65 3i20 n LYS 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i20 h ALA 94 N 0.00 0.18 -3.25 3.14 0.00 -1.96 -3.42 119.26 113.96 3i20 h ALA 94 Ca 0.00 -0.27 -0.67 0.00 0.00 0.00 0.00 54.91 53.97 3i20 h ALA 94 Cb 0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 17.79 17.42 3i20 h ALA 94 CO 0.00 -0.02 -0.77 0.15 0.00 0.00 0.00 179.25 178.62 3i20 s LYS 95 N -4.49 2.88 -0.68 0.00 3.01 -1.26 -4.36 119.74 114.84 3i20 s LYS 95 Ca -0.14 -0.94 -0.03 0.00 -1.01 0.00 0.00 55.97 53.85 3i20 s LYS 95 Cb 0.05 -2.90 0.23 0.00 -1.01 0.00 0.00 37.83 34.19 3i20 s LYS 95 CO 0.73 -0.36 2.35 1.28 0.51 0.00 0.00 175.35 179.86 3i20 n LEU 96 N 4.66 7.08 0.28 3.17 4.32 0.74 -4.63 117.00 132.62 3i20 n LEU 96 Ca -0.17 -4.49 0.18 0.00 -0.02 0.00 0.00 56.01 51.51 3i20 n LEU 96 Cb 0.48 -1.14 0.83 0.00 -1.62 0.00 0.00 43.42 41.97 3i20 n LEU 96 CO 0.26 1.74 1.04 1.88 -1.22 0.00 0.00 177.39 181.09 3i20 h TYR 97 N 2.98 0.00 -0.00 -1.77 0.99 -1.96 -2.89 116.97 114.31 3i20 h TYR 97 Ca 0.49 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.22 3i20 h TYR 97 Cb 0.33 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.06 3i20 h TYR 97 CO 1.30 0.00 0.00 2.48 -0.00 0.00 0.00 178.16 181.94 3i20 n TYR 98 N -2.98 0.00 1.01 4.88 4.11 -1.26 -2.04 117.16 120.87 3i20 n TYR 98 Ca -0.00 -0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.01 3i20 n TYR 98 Cb 0.22 0.00 0.19 0.00 -0.00 0.00 0.00 39.34 39.75 3i20 n TYR 98 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 3i20 n LEU 99 N -0.82 0.61 0.00 -3.48 4.32 -1.09 -3.83 117.00 112.71 3i20 n LEU 99 Ca 0.16 -0.09 0.13 0.00 -0.02 0.00 0.00 56.01 56.19 3i20 n LEU 99 Cb 0.08 -0.20 0.58 0.00 -1.62 0.00 0.00 43.42 42.26 3i20 n LEU 99 CO 0.12 0.15 0.93 0.54 -1.22 0.00 0.00 177.39 177.91 3i20 n ARG 100 N -1.46 0.05 -1.69 3.23 1.74 -0.87 -2.97 116.66 114.69 3i20 n ARG 100 Ca 0.06 0.04 -0.22 0.00 -0.77 0.00 0.00 57.85 56.95 3i20 n ARG 100 Cb 0.34 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.34 3i20 n ARG 100 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3i20 n GLU 101 N -1.48 3.15 0.00 5.56 1.02 -1.25 -4.85 120.64 122.79 3i20 n GLU 101 Ca 0.07 -3.86 0.00 0.00 -0.02 0.00 0.00 57.16 53.35 3i20 n GLU 101 Cb 0.30 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.52 3i20 n GLU 101 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3i20 n ARG 102 N -0.82 0.00 -2.95 3.49 1.74 -1.16 -5.07 116.66 111.90 3i20 n ARG 102 Ca 0.45 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.52 3i20 n ARG 102 Cb 0.90 -0.69 -0.01 0.00 -1.02 0.00 0.00 32.46 31.64 3i20 n ARG 102 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 3i20 n THR 103 N -2.41 -2.76 -1.37 0.55 5.66 -1.26 -4.46 114.28 108.22 3i20 n THR 103 Ca 0.00 0.43 0.17 0.00 -3.05 0.00 0.00 64.05 61.60 3i20 n THR 103 Cb 0.35 -3.06 -0.06 0.00 -1.55 0.00 0.00 70.33 66.01 3i20 n THR 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i20 n GLY 104 N 2.39 -2.37 5.74 1.09 0.00 -1.26 -4.55 105.19 106.23 3i20 n GLY 104 Ca -0.06 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3i20 n GLY 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i20 n LYS 105 N -4.10 0.00 0.00 1.61 4.76 -1.26 -0.45 118.16 118.72 3i20 n LYS 105 Ca -0.03 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.46 3i20 n LYS 105 Cb 0.67 0.00 0.27 0.00 -1.84 0.00 0.00 35.03 34.13 3i20 n LYS 105 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i20 n ALA 106 N 0.97 1.64 0.83 7.82 0.00 -1.26 -1.76 120.51 128.74 3i20 n ALA 106 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.49 3i20 n ALA 106 Cb 0.00 -1.19 -0.12 0.00 0.00 0.00 0.00 19.45 18.14 3i20 n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i20 n ALA 107 N -1.36 4.41 -1.58 0.00 0.00 0.40 -4.94 120.51 117.44 3i20 n ALA 107 Ca 0.05 -0.58 -0.33 0.00 0.00 0.00 0.00 53.44 52.58 3i20 n ALA 107 Cb 0.10 -0.78 0.03 0.00 0.00 0.00 0.00 19.45 18.81 3i20 n ALA 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i20 s ARG 108 N -3.09 3.01 0.07 0.00 0.52 -0.72 -4.92 118.95 113.83 3i20 s ARG 108 Ca 0.05 1.32 0.07 0.00 -0.52 0.00 0.00 55.73 56.65 3i20 s ARG 108 Cb 0.16 -1.98 -0.03 0.00 0.52 0.00 0.00 34.95 33.61 3i20 s ARG 108 CO 0.87 -1.07 -0.18 0.96 0.02 0.00 0.00 175.30 175.90 3i20 s ILE 109 N -2.37 1.41 1.22 1.52 -4.36 -1.26 -5.02 121.20 112.35 3i20 s ILE 109 Ca 0.66 -1.33 -0.16 0.00 -0.26 0.00 0.00 60.65 59.56 3i20 s ILE 109 Cb -0.19 -1.30 0.27 0.00 1.25 0.00 0.00 42.46 42.50 3i20 s ILE 109 CO 0.39 -0.07 0.77 0.29 0.24 0.00 0.00 174.94 176.56 3i20 n LYS 110 N 1.38 -2.77 -4.10 0.37 4.76 -1.26 -4.79 118.16 111.75 3i20 n LYS 110 Ca -0.20 -0.79 -0.23 0.00 -2.87 0.00 0.00 58.31 54.23 3i20 n LYS 110 Cb 0.54 -2.01 -0.04 0.00 -1.84 0.00 0.00 35.03 31.67 3i20 n LYS 110 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3i20 s GLU 111 N -4.25 2.97 0.09 1.97 8.01 -1.26 -1.80 118.70 124.43 3i20 s GLU 111 Ca 0.65 -1.00 0.24 0.00 0.01 0.00 0.00 54.97 54.88 3i20 s GLU 111 Cb -0.21 -2.61 0.39 0.00 -4.31 0.00 0.00 34.13 27.39 3i20 s GLU 111 CO 0.64 0.42 1.34 0.54 0.01 0.00 0.00 175.26 178.21 3i20 n ARG 112 N -1.06 0.22 -3.82 1.61 1.74 0.37 -4.57 116.66 111.15 3i20 n ARG 112 Ca -0.08 0.06 -0.30 0.00 -0.77 0.00 0.00 57.85 56.76 3i20 n ARG 112 Cb 0.57 -1.64 0.01 0.00 -1.02 0.00 0.00 32.46 30.38 3i20 n ARG 112 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 3i20 n LEU 113 N -1.95 -0.94 0.00 0.55 -0.00 -1.26 -5.07 117.00 108.33 3i20 n LEU 113 Ca 0.04 -0.99 0.00 0.00 -0.00 0.00 0.00 56.01 55.06 3i20 n LEU 113 Cb 0.41 -1.39 0.00 0.00 -0.00 0.00 0.00 43.42 42.45 3i20 n LEU 113 CO 0.36 0.52 0.00 -0.46 -0.00 0.00 0.00 177.39 177.81