#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i1s s PHE 5 N 0.00 0.12 -0.19 4.78 -0.71 -1.26 -4.93 117.98 115.79 2i1s s PHE 5 Ca 0.00 -0.37 -0.13 0.00 -1.04 0.00 0.00 56.93 55.39 2i1s s PHE 5 Cb 0.00 -0.08 -0.08 0.00 -1.21 0.00 0.00 43.02 41.65 2i1s s PHE 5 CO 0.00 -0.39 -0.29 0.39 -1.34 0.00 0.00 175.22 173.59 2i1s n GLU 6 N 0.76 0.46 -3.62 1.99 -0.58 -1.26 -4.95 120.64 113.44 2i1s n GLU 6 Ca -0.19 0.20 -0.26 0.00 -0.42 0.00 0.00 57.16 56.48 2i1s n GLU 6 Cb 0.58 -1.29 -0.03 0.00 -0.57 0.00 0.00 31.44 30.14 2i1s n GLU 6 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2i1s s LYS 7 N -2.53 3.52 -0.01 3.49 1.02 -1.26 -0.24 119.74 123.72 2i1s s LYS 7 Ca -0.29 -0.34 0.08 0.00 0.02 0.00 0.00 55.97 55.44 2i1s s LYS 7 Cb 0.09 -2.79 -0.02 0.00 -0.52 0.00 0.00 37.83 34.59 2i1s s LYS 7 CO 0.38 0.34 -0.25 0.14 -0.92 0.00 0.00 175.35 175.04 2i1s s VAL 8 N -1.98 2.18 -0.27 3.17 -7.23 0.29 -1.77 120.40 114.80 2i1s s VAL 8 Ca 0.39 -1.11 -0.21 0.00 -1.81 0.00 0.00 61.98 59.24 2i1s s VAL 8 Cb -0.11 -1.78 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 2i1s s VAL 8 CO 0.30 0.55 0.65 -0.31 -0.31 0.00 0.00 175.10 175.98 2i1s s TYR 9 N -0.66 3.27 -0.48 2.82 1.51 -0.33 -1.29 117.35 122.19 2i1s s TYR 9 Ca 0.11 0.79 -0.24 0.00 -1.01 0.00 0.00 57.07 56.72 2i1s s TYR 9 Cb -0.10 -2.90 0.03 0.00 -0.11 0.00 0.00 41.96 38.88 2i1s s TYR 9 CO -0.00 -0.37 0.88 -1.01 -1.11 0.00 0.00 175.55 173.93 2i1s s HIS 10 N 2.57 2.91 -0.09 2.71 3.76 0.12 -1.18 115.29 126.09 2i1s s HIS 10 Ca 0.27 0.18 -0.01 0.00 -0.15 0.00 0.00 55.06 55.35 2i1s s HIS 10 Cb -0.15 -3.89 -0.03 0.00 1.11 0.00 0.00 32.58 29.62 2i1s s HIS 10 CO 0.09 -1.13 -0.05 -0.51 -0.85 0.00 0.00 174.74 172.29 2i1s s LEU 11 N 3.63 3.24 -0.13 0.89 1.43 -0.14 -0.15 118.68 127.46 2i1s s LEU 11 Ca 0.32 -0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 53.33 2i1s s LEU 11 Cb -0.12 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 2i1s s LEU 11 CO 0.23 0.32 0.13 -0.75 0.23 0.00 0.00 176.35 176.51 2i1s s LYS 12 N -0.52 3.49 -0.15 1.70 2.20 0.10 -2.05 119.74 124.51 2i1s s LYS 12 Ca 0.08 -0.15 0.02 0.00 -0.36 0.00 0.00 55.97 55.56 2i1s s LYS 12 Cb -0.12 -3.19 0.01 0.00 -1.51 0.00 0.00 37.83 33.02 2i1s s LYS 12 CO 0.02 0.73 -0.20 -0.51 -0.36 0.00 0.00 175.35 175.03 2i1s s LEU 13 N -0.90 2.05 -0.09 5.43 1.43 -0.40 -0.86 118.68 125.34 2i1s s LEU 13 Ca 0.14 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 2i1s s LEU 13 Cb -0.12 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 44.72 2i1s s LEU 13 CO 0.03 0.04 -0.09 -0.44 0.23 0.00 0.00 176.35 176.12 2i1s s SER 14 N 1.02 1.89 -0.05 2.29 0.01 -0.49 -1.37 113.70 117.01 2i1s s SER 14 Ca -0.03 -0.29 -0.30 0.00 1.31 0.00 0.00 55.95 56.65 2i1s s SER 14 Cb -0.14 -0.80 -0.05 0.00 0.21 0.00 0.00 66.02 65.23 2i1s s SER 14 CO -0.06 -0.04 1.59 -0.63 0.41 0.00 0.00 173.24 174.50 2i1s s ILE 15 N 1.17 3.63 0.40 1.44 1.01 -0.66 -0.37 121.20 127.82 2i1s s ILE 15 Ca -0.05 0.82 -0.25 0.00 0.00 0.00 0.00 60.65 61.17 2i1s s ILE 15 Cb -0.14 -3.53 -0.08 0.00 0.01 0.00 0.00 42.46 38.72 2i1s s ILE 15 CO -0.02 -0.06 1.13 -0.54 0.00 0.00 0.00 174.94 175.45 2i1s s LYS 16 N 3.73 4.08 0.00 2.79 1.02 -0.20 -4.19 119.74 126.97 2i1s s LYS 16 Ca 0.70 1.73 0.00 0.00 0.02 0.00 0.00 55.97 58.42 2i1s s LYS 16 Cb -0.32 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 2i1s s LYS 16 CO 0.28 -0.27 0.00 0.41 -0.92 0.00 0.00 175.35 174.85 2i1s n GLY 17 N 0.55 1.18 3.40 -3.33 0.00 -1.26 -4.77 105.19 100.97 2i1s n GLY 17 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2i1s n GLY 17 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i1s s ILE 18 N -3.03 3.20 0.04 -0.61 1.01 -1.26 -4.96 121.20 115.60 2i1s s ILE 18 Ca 0.00 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 60.10 2i1s s ILE 18 Cb 0.00 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 2i1s s ILE 18 CO 0.00 0.52 -0.18 0.42 0.00 0.00 0.00 174.94 175.70 2i1s s THR 19 N 0.27 1.47 0.89 2.92 -4.23 -1.26 -3.74 115.64 111.95 2i1s s THR 19 Ca -0.08 -1.11 -0.14 0.00 -1.18 0.00 0.00 61.69 59.18 2i1s s THR 19 Cb -0.15 -1.29 -0.01 0.00 1.34 0.00 0.00 72.50 72.40 2i1s s THR 19 CO 0.05 0.15 0.31 -2.65 -0.54 0.00 0.00 174.62 171.94 2i1s n PRO 20 N 1.91 -0.09 -2.03 3.99 -0.02 -1.26 -5.08 135.00 132.41 2i1s n PRO 20 Ca -0.17 0.01 -0.42 0.00 -2.02 0.00 0.00 63.50 60.90 2i1s n PRO 20 Cb 0.54 -1.76 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 2i1s n PRO 20 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2i1s s GLN 21 N -3.20 4.26 -0.25 -0.52 0.74 -1.25 -5.02 119.66 114.42 2i1s s GLN 21 Ca 0.58 2.25 -0.14 0.00 0.05 0.00 0.00 55.36 58.10 2i1s s GLN 21 Cb -0.25 -3.18 -0.04 0.00 1.10 0.00 0.00 33.01 30.64 2i1s s GLN 21 CO 0.66 -0.51 0.33 0.42 -0.55 0.00 0.00 175.29 175.65 2i1s s ILE 22 N 0.89 5.22 0.11 -2.34 1.01 -1.26 -4.70 121.20 120.13 2i1s s ILE 22 Ca 0.66 0.50 -0.11 0.00 0.00 0.00 0.00 60.65 61.70 2i1s s ILE 22 Cb -0.41 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.41 2i1s s ILE 22 CO 0.33 0.21 0.26 -1.66 0.00 0.00 0.00 174.94 174.08 2i1s s TRP 23 N 1.77 0.10 0.02 3.97 1.48 -0.90 -1.65 118.94 123.72 2i1s s TRP 23 Ca 0.14 -0.49 0.01 0.00 -1.06 0.00 0.00 56.10 54.69 2i1s s TRP 23 Cb -0.15 0.03 -0.01 0.00 -1.16 0.00 0.00 33.47 32.17 2i1s s TRP 23 CO 0.09 -0.62 -0.04 1.03 -4.06 0.00 0.00 176.95 173.36 2i1s s ARG 24 N -3.87 0.29 -0.15 3.25 1.81 -0.47 -0.54 118.95 119.28 2i1s s ARG 24 Ca 0.06 -0.43 -0.01 0.00 -1.72 0.00 0.00 55.73 53.63 2i1s s ARG 24 Cb 0.04 -0.06 -0.01 0.00 -0.45 0.00 0.00 34.95 34.46 2i1s s ARG 24 CO -0.09 0.00 -0.12 1.03 -0.68 0.00 0.00 175.30 175.44 2i1s s ARG 25 N -0.95 3.38 0.11 3.54 0.52 0.13 -1.28 118.95 124.40 2i1s s ARG 25 Ca -0.09 -0.67 0.05 0.00 -0.52 0.00 0.00 55.73 54.50 2i1s s ARG 25 Cb -0.07 -2.70 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 2i1s s ARG 25 CO -0.00 0.14 -0.12 0.96 0.02 0.00 0.00 175.30 176.29 2i1s s ILE 26 N 0.55 1.14 -0.13 1.52 -4.36 -0.87 -1.26 121.20 117.79 2i1s s ILE 26 Ca -0.08 -1.64 -0.00 0.00 -0.26 0.00 0.00 60.65 58.67 2i1s s ILE 26 Cb -0.15 -1.41 -0.01 0.00 1.25 0.00 0.00 42.46 42.13 2i1s s ILE 26 CO 0.03 -0.46 -0.13 -1.10 0.24 0.00 0.00 174.94 173.52 2i1s s GLN 27 N -2.64 3.38 0.12 0.37 -0.21 -0.28 -0.97 119.66 119.44 2i1s s GLN 27 Ca 0.06 -0.69 0.11 0.00 0.02 0.00 0.00 55.36 54.86 2i1s s GLN 27 Cb -0.04 -2.63 -0.04 0.00 1.00 0.00 0.00 33.01 31.30 2i1s s GLN 27 CO 0.02 0.20 -0.26 0.14 -2.12 0.00 0.00 175.29 173.26 2i1s s VAL 28 N 0.38 2.21 0.31 1.09 -7.23 -0.32 -2.22 120.40 114.60 2i1s s VAL 28 Ca -0.11 -1.73 -0.29 0.00 -1.81 0.00 0.00 61.98 58.05 2i1s s VAL 28 Cb -0.16 -1.96 -0.13 0.00 0.56 0.00 0.00 36.38 34.69 2i1s s VAL 28 CO 0.05 0.09 1.23 -2.65 -0.31 0.00 0.00 175.10 173.52 2i1s n PRO 29 N 0.96 1.88 0.25 4.82 -0.02 -1.26 -1.18 135.00 140.45 2i1s n PRO 29 Ca -0.18 0.66 0.10 0.00 -2.02 0.00 0.00 63.50 62.06 2i1s n PRO 29 Cb 0.53 -2.19 0.68 0.00 -0.02 0.00 0.00 33.50 32.50 2i1s n PRO 29 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2i1s h GLU 30 N 2.69 0.00 -0.15 -0.52 4.11 -1.71 -2.59 114.58 116.41 2i1s h GLU 30 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2i1s h GLU 30 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2i1s h GLU 30 CO 0.64 0.00 0.00 0.27 0.07 0.00 0.00 179.01 179.99 2i1s n ASN 31 N -4.43 0.88 -4.77 3.06 6.94 -1.26 -3.82 115.26 111.85 2i1s n ASN 31 Ca -0.02 -1.92 -0.41 0.00 -0.02 0.00 0.00 54.58 52.21 2i1s n ASN 31 Cb 0.12 -0.10 -0.01 0.00 -2.36 0.00 0.00 39.78 37.44 2i1s n ASN 31 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2i1s s TYR 32 N -1.80 2.68 0.71 -2.53 1.51 -0.98 -4.85 117.35 112.10 2i1s s TYR 32 Ca 0.15 1.17 -0.06 0.00 -1.01 0.00 0.00 57.07 57.32 2i1s s TYR 32 Cb 0.08 -3.97 0.08 0.00 -0.11 0.00 0.00 41.96 38.03 2i1s s TYR 32 CO 0.11 -2.86 1.01 0.95 -1.11 0.00 0.00 175.55 173.65 2i1s s THR 33 N -1.02 2.28 0.41 -0.71 -4.23 -1.26 -0.78 115.64 110.33 2i1s s THR 33 Ca 0.53 -0.33 0.12 0.00 -1.18 0.00 0.00 61.69 60.83 2i1s s THR 33 Cb -0.45 -2.95 0.16 0.00 1.34 0.00 0.00 72.50 70.59 2i1s s THR 33 CO 0.60 0.00 1.93 -0.26 -0.54 0.00 0.00 174.62 176.35 2i1s h PHE 34 N -0.61 0.09 0.04 3.99 0.04 -0.99 -2.63 116.94 116.88 2i1s h PHE 34 Ca -0.43 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.33 2i1s h PHE 34 Cb 1.30 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.43 2i1s h PHE 34 CO 0.15 0.29 -0.02 1.25 -0.60 0.00 0.00 178.31 179.38 2i1s h LEU 35 N 0.08 -0.05 -0.86 1.54 5.85 -1.69 0.11 115.31 120.30 2i1s h LEU 35 Ca 0.01 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.90 2i1s h LEU 35 Cb 0.41 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.35 2i1s h LEU 35 CO 0.03 -0.03 0.43 0.44 -0.34 0.00 0.00 178.44 178.96 2i1s h ASP 36 N -0.05 0.48 -0.23 1.25 3.32 -1.83 -1.41 116.42 117.94 2i1s h ASP 36 Ca -0.01 0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 2i1s h ASP 36 Cb 0.04 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 2i1s h ASP 36 CO 0.01 0.16 -0.17 0.25 -1.72 0.00 0.00 179.24 177.78 2i1s h LEU 37 N 0.57 0.54 -0.65 1.55 5.85 -1.07 -2.50 115.31 119.59 2i1s h LEU 37 Ca 0.49 -0.45 0.13 0.00 0.84 0.00 0.00 57.88 58.89 2i1s h LEU 37 Cb 0.76 -0.15 -0.12 0.00 0.37 0.00 0.00 40.66 41.52 2i1s h LEU 37 CO -0.40 0.87 -0.15 -0.74 -0.34 0.00 0.00 178.44 177.67 2i1s h HIS 38 N 0.21 -0.33 0.00 1.25 2.76 -0.20 -0.53 115.15 118.31 2i1s h HIS 38 Ca 0.04 0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 58.23 2i1s h HIS 38 Cb 0.69 0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.89 2i1s h HIS 38 CO 0.07 -0.27 -0.17 0.87 -1.30 0.00 0.00 177.93 177.12 2i1s h LYS 39 N 0.01 0.00 0.07 5.26 1.57 -1.15 -0.91 116.57 121.42 2i1s h LYS 39 Ca 0.31 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.92 2i1s h LYS 39 Cb 0.48 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.81 2i1s h LYS 39 CO -0.66 0.17 -0.73 0.00 -0.57 0.00 0.00 179.45 177.66 2i1s h ALA 40 N 1.83 -0.01 -0.50 3.86 0.00 -0.80 -2.53 119.26 121.10 2i1s h ALA 40 Ca -0.00 -0.64 0.10 0.00 0.00 0.00 0.00 54.91 54.37 2i1s h ALA 40 Cb 0.33 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 2i1s h ALA 40 CO 0.02 0.37 -0.18 0.82 0.00 0.00 0.00 179.25 180.28 2i1s h ILE 41 N -0.23 0.40 -0.88 0.00 2.04 -1.01 -0.55 117.51 117.28 2i1s h ILE 41 Ca -0.11 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.81 2i1s h ILE 41 Cb 1.50 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 37.92 2i1s h ILE 41 CO 0.14 0.00 0.57 1.56 0.00 0.00 0.00 178.15 180.42 2i1s h GLN 42 N -0.07 0.95 -0.03 2.37 1.08 -1.14 -2.10 115.11 116.17 2i1s h GLN 42 Ca 0.24 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 2i1s h GLN 42 Cb 0.44 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2i1s h GLN 42 CO -0.55 0.63 -0.01 0.00 -0.95 0.00 0.00 178.83 177.95 2i1s h ALA 43 N 1.53 0.04 0.00 3.87 0.00 -0.98 0.15 119.26 123.88 2i1s h ALA 43 Ca 0.38 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2i1s h ALA 43 Cb 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2i1s h ALA 43 CO -0.14 -0.24 -0.38 -0.39 0.00 0.00 0.00 179.25 178.10 2i1s h VAL 44 N -0.31 1.03 -0.02 0.00 -1.51 -0.94 -2.64 116.25 111.86 2i1s h VAL 44 Ca 0.01 -1.42 0.00 0.00 -1.23 0.00 0.00 66.70 64.05 2i1s h VAL 44 Cb 0.41 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 2i1s h VAL 44 CO 0.00 0.37 -0.03 0.23 -1.23 0.00 0.00 177.57 176.91 2i1s n MET 45 N -3.73 1.71 -3.99 5.19 2.00 -0.81 -4.90 117.12 112.58 2i1s n MET 45 Ca -0.01 -1.11 -0.32 0.00 0.00 0.00 0.00 57.70 56.26 2i1s n MET 45 Cb 0.46 -1.48 0.01 0.00 0.00 0.00 0.00 33.22 32.22 2i1s n MET 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2i1s n ASP 46 N 0.32 -4.33 -4.88 7.83 2.03 -0.82 -4.71 116.55 111.98 2i1s n ASP 46 Ca 0.17 -0.84 -0.23 0.00 0.52 0.00 0.00 54.79 54.41 2i1s n ASP 46 Cb 0.40 -3.59 0.06 0.00 -0.72 0.00 0.00 41.12 37.28 2i1s n ASP 46 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 2i1s s TRP 47 N -3.31 2.64 -0.35 -0.67 0.51 -0.02 -4.85 118.94 112.89 2i1s s TRP 47 Ca 0.67 0.13 0.03 0.00 -2.12 0.00 0.00 56.10 54.80 2i1s s TRP 47 Cb -0.34 -3.00 0.03 0.00 -0.81 0.00 0.00 33.47 29.35 2i1s s TRP 47 CO 0.86 -1.27 0.68 0.39 -0.51 0.00 0.00 176.95 177.10 2i1s n GLU 48 N -2.69 0.08 -3.80 4.98 -0.58 -1.26 -4.76 120.64 112.62 2i1s n GLU 48 Ca 0.09 -0.86 -0.25 0.00 -0.42 0.00 0.00 57.16 55.73 2i1s n GLU 48 Cb 0.60 -1.06 0.03 0.00 -0.57 0.00 0.00 31.44 30.44 2i1s n GLU 48 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2i1s n ASP 49 N 0.09 -2.29 0.08 1.62 2.03 -1.26 -4.92 116.55 111.90 2i1s n ASP 49 Ca 0.02 -0.82 0.03 0.00 0.52 0.00 0.00 54.79 54.54 2i1s n ASP 49 Cb 0.12 -3.91 -0.03 0.00 -0.72 0.00 0.00 41.12 36.58 2i1s n ASP 49 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2i1s h TYR 50 N -1.94 0.00 -0.88 -0.67 0.05 -2.04 -3.48 116.97 108.00 2i1s h TYR 50 Ca -0.60 0.00 -0.66 0.00 0.05 0.00 0.00 58.73 57.52 2i1s h TYR 50 Cb 1.37 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.98 2i1s h TYR 50 CO 0.50 0.42 -0.54 -1.01 -1.05 0.00 0.00 178.16 176.47 2i1s s HIS 51 N -3.04 2.08 0.56 4.88 3.76 -1.26 -5.12 115.29 117.15 2i1s s HIS 51 Ca -0.00 -0.87 -0.17 0.00 -0.15 0.00 0.00 55.06 53.86 2i1s s HIS 51 Cb 0.08 -1.65 -0.05 0.00 1.11 0.00 0.00 32.58 32.07 2i1s s HIS 51 CO 0.79 0.29 1.06 -0.51 -0.85 0.00 0.00 174.74 175.51 2i1s s LEU 52 N -3.81 3.62 0.12 0.89 1.43 -1.26 -4.76 118.68 114.90 2i1s s LEU 52 Ca 0.16 1.88 -0.00 0.00 -1.03 0.00 0.00 54.13 55.14 2i1s s LEU 52 Cb 0.04 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.68 2i1s s LEU 52 CO 0.08 -1.06 0.01 -1.38 0.23 0.00 0.00 176.35 174.24 2i1s s HIS 53 N -2.26 0.85 0.04 0.29 -3.43 -1.26 -0.43 115.29 109.09 2i1s s HIS 53 Ca 0.65 -1.13 -0.27 0.00 -0.80 0.00 0.00 55.06 53.52 2i1s s HIS 53 Cb -0.17 -0.50 0.08 0.00 -1.43 0.00 0.00 32.58 30.56 2i1s s HIS 53 CO 0.31 -0.39 0.71 -1.83 -2.00 0.00 0.00 174.74 171.54 2i1s s GLU 54 N -3.97 1.07 -0.02 -0.38 -1.05 0.13 -4.58 118.70 109.90 2i1s s GLU 54 Ca 0.19 -0.17 -0.01 0.00 -0.15 0.00 0.00 54.97 54.82 2i1s s GLU 54 Cb 0.07 0.50 -0.04 0.00 -0.44 0.00 0.00 34.13 34.22 2i1s s GLU 54 CO -0.01 -0.42 0.09 -0.06 0.95 0.00 0.00 175.26 175.81 2i1s s PHE 55 N -2.66 3.33 -0.15 4.83 0.08 0.48 -0.47 117.98 123.43 2i1s s PHE 55 Ca -0.02 0.25 0.01 0.00 0.12 0.00 0.00 56.93 57.29 2i1s s PHE 55 Cb -0.01 -1.77 0.01 0.00 -0.57 0.00 0.00 43.02 40.68 2i1s s PHE 55 CO -0.04 0.57 -0.19 -1.21 -0.10 0.00 0.00 175.22 174.25 2i1s s GLU 56 N -1.64 3.09 -0.10 0.44 2.02 0.11 -0.45 118.70 122.18 2i1s s GLU 56 Ca 0.22 -0.81 -0.12 0.00 0.02 0.00 0.00 54.97 54.28 2i1s s GLU 56 Cb -0.12 -2.53 0.03 0.00 0.10 0.00 0.00 34.13 31.61 2i1s s GLU 56 CO 0.13 -0.03 0.31 1.41 0.02 0.00 0.00 175.26 177.10 2i1s s MET 57 N 0.88 0.43 0.19 1.61 1.75 -0.52 -0.94 119.30 122.70 2i1s s MET 57 Ca -0.05 0.31 -0.32 0.00 -1.25 0.00 0.00 55.69 54.38 2i1s s MET 57 Cb -0.15 0.20 -0.12 0.00 2.84 0.00 0.00 34.83 37.61 2i1s s MET 57 CO -0.02 -0.07 1.71 0.08 -0.65 0.00 0.00 175.02 176.06 2i1s s VAL 58 N -0.13 2.15 -0.32 10.11 1.01 -1.26 0.49 120.40 132.45 2i1s s VAL 58 Ca -0.03 0.08 -0.24 0.00 0.00 0.00 0.00 61.98 61.80 2i1s s VAL 58 Cb -0.03 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.30 2i1s s VAL 58 CO 0.01 0.01 0.81 0.21 0.00 0.00 0.00 175.10 176.13 2i1s s ASN 59 N 1.29 6.66 0.53 3.32 3.84 0.96 -4.87 114.94 126.67 2i1s s ASN 59 Ca 0.75 0.63 0.25 0.00 0.21 0.00 0.00 52.86 54.70 2i1s s ASN 59 Cb -0.49 -2.41 1.50 0.00 -0.55 0.00 0.00 41.25 39.30 2i1s s ASN 59 CO 0.32 -0.65 2.14 1.55 -2.79 0.00 0.00 177.10 177.66 2i1s h PRO 60 N 8.18 0.00 0.00 0.43 0.13 -1.81 0.95 132.00 139.88 2i1s h PRO 60 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2i1s h PRO 60 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2i1s h PRO 60 CO 0.90 0.08 0.00 0.87 -0.23 0.00 0.00 178.00 179.61 2i1s h LYS 61 N 0.00 0.00 0.00 0.86 1.57 -1.93 -3.38 116.57 113.70 2i1s h LYS 61 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2i1s h LYS 61 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2i1s h LYS 61 CO 0.01 0.00 -0.99 0.25 -0.57 0.00 0.00 179.45 178.15 2i1s n THR 62 N -3.01 0.00 -0.82 -0.16 -2.24 -0.49 -5.01 114.28 102.55 2i1s n THR 62 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2i1s n THR 62 Cb 0.45 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 2i1s n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2i1s n GLY 63 N 2.68 0.78 3.89 3.38 0.00 0.32 -5.00 105.19 111.24 2i1s n GLY 63 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2i1s n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2i1s s MET 64 N -0.27 3.72 -0.39 1.61 -1.94 -1.26 -4.80 119.30 115.97 2i1s s MET 64 Ca 0.00 0.33 -0.27 0.00 -1.71 0.00 0.00 55.69 54.05 2i1s s MET 64 Cb 0.00 -2.45 0.02 0.00 2.01 0.00 0.00 34.83 34.41 2i1s s MET 64 CO 0.00 0.01 0.97 -1.17 -0.01 0.00 0.00 175.02 174.82 2i1s s LEU 65 N -3.87 3.94 0.01 -0.03 2.96 -1.26 -0.03 118.68 120.40 2i1s s LEU 65 Ca 0.49 0.54 -0.14 0.00 -0.22 0.00 0.00 54.13 54.81 2i1s s LEU 65 Cb -0.10 -3.32 -0.06 0.00 0.50 0.00 0.00 46.19 43.21 2i1s s LEU 65 CO 0.32 -0.94 0.40 -1.81 -1.32 0.00 0.00 176.35 173.00 2i1s s ASP 66 N 1.99 6.78 -0.18 3.68 1.01 0.18 -4.91 116.67 125.22 2i1s s ASP 66 Ca 0.40 0.93 -0.14 0.00 0.71 0.00 0.00 52.55 54.46 2i1s s ASP 66 Cb -0.11 -2.24 -0.05 0.00 1.01 0.00 0.00 42.92 41.54 2i1s s ASP 66 CO 0.21 0.30 0.29 -0.54 0.21 0.00 0.00 175.17 175.65 2i1s s LYS 67 N -1.20 4.21 -0.11 8.23 1.02 -1.26 -1.44 119.74 129.19 2i1s s LYS 67 Ca 0.25 0.05 0.02 0.00 0.02 0.00 0.00 55.97 56.31 2i1s s LYS 67 Cb -0.16 -3.47 0.01 0.00 -0.52 0.00 0.00 37.83 33.69 2i1s s LYS 67 CO 0.14 0.14 -0.17 0.42 -0.92 0.00 0.00 175.35 174.96 2i1s s ILE 68 N 0.77 1.63 0.00 2.17 1.01 0.41 -0.41 121.20 126.78 2i1s s ILE 68 Ca 0.15 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.06 2i1s s ILE 68 Cb -0.13 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.87 2i1s s ILE 68 CO 0.05 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.06 2i1s n GLY 69 N 4.00 1.39 3.74 6.18 0.00 -0.61 -0.38 105.19 119.50 2i1s n GLY 69 Ca -0.20 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 2i1s n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i1s n ALA 70 N -3.00 1.81 -1.53 4.61 0.00 -1.26 -2.06 120.51 119.08 2i1s n ALA 70 Ca 0.00 0.30 -0.39 0.00 0.00 0.00 0.00 53.44 53.36 2i1s n ALA 70 Cb 0.00 -2.34 -0.07 0.00 0.00 0.00 0.00 19.45 17.04 2i1s n ALA 70 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2i1s n GLU 71 N 0.21 0.78 -3.79 0.00 1.02 -1.26 -4.90 120.64 112.70 2i1s n GLU 71 Ca 0.04 0.03 -0.21 0.00 -0.02 0.00 0.00 57.16 57.00 2i1s n GLU 71 Cb 0.39 -2.83 -0.04 0.00 -0.02 0.00 0.00 31.44 28.94 2i1s n GLU 71 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2i1s s GLY 72 N 10.89 1.90 -1.32 0.62 0.00 -1.26 -5.17 107.32 112.98 2i1s s GLY 72 Ca 1.10 -1.75 -0.11 0.00 0.00 0.00 0.00 44.72 43.96 2i1s s GLY 72 CO 0.34 -1.64 1.93 2.09 0.00 0.00 0.00 173.10 175.82 2i1s n ASP 73 N -1.38 4.76 0.00 1.64 5.75 -1.26 -5.04 116.55 121.02 2i1s n ASP 73 Ca -0.01 -3.02 0.00 0.00 -0.01 0.00 0.00 54.79 51.76 2i1s n ASP 73 Cb 0.61 -1.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.15 2i1s n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2i1s n PRO 81 N 4.84 0.00 -4.62 0.11 -0.04 -1.26 -5.18 135.00 128.84 2i1s n PRO 81 Ca 0.43 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.56 2i1s n PRO 81 Cb 0.38 -0.46 -0.15 0.00 -0.04 0.00 0.00 33.50 33.23 2i1s n PRO 81 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2i1s s LEU 82 N 0.00 2.64 -0.06 1.53 2.96 -1.26 -4.38 118.68 120.11 2i1s s LEU 82 Ca 0.00 -0.38 -0.19 0.00 -0.22 0.00 0.00 54.13 53.34 2i1s s LEU 82 Cb 0.00 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 45.04 2i1s s LEU 82 CO 0.00 0.12 0.53 -0.69 -1.32 0.00 0.00 176.35 174.99 2i1s s VAL 83 N 0.61 5.06 -0.15 1.68 1.01 0.45 -4.98 120.40 124.08 2i1s s VAL 83 Ca -0.08 1.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.69 2i1s s VAL 83 Cb -0.16 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 2i1s s VAL 83 CO 0.03 0.39 1.29 -0.55 0.00 0.00 0.00 175.10 176.25 2i1s s SER 84 N 0.12 6.93 0.49 3.32 0.15 -1.26 -1.58 113.70 121.87 2i1s s SER 84 Ca 0.28 1.74 0.26 0.00 0.70 0.00 0.00 55.95 58.93 2i1s s SER 84 Cb -0.17 -2.54 1.23 0.00 -1.71 0.00 0.00 66.02 62.83 2i1s s SER 84 CO 0.14 -0.76 1.97 1.05 1.20 0.00 0.00 173.24 176.83 2i1s h GLU 85 N 8.24 0.00 -0.01 5.44 4.11 -1.75 0.35 114.58 130.96 2i1s h GLU 85 Ca -0.28 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.04 2i1s h GLU 85 Cb 1.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2i1s h GLU 85 CO 0.96 0.17 -0.50 0.87 0.07 0.00 0.00 179.01 180.58 2i1s h LYS 86 N 0.00 0.02 0.05 1.06 1.57 -1.91 -2.17 116.57 115.19 2i1s h LYS 86 Ca -0.00 -0.01 -0.29 0.00 -1.87 0.00 0.00 60.65 58.48 2i1s h LYS 86 Cb 0.52 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 2i1s h LYS 86 CO 0.02 0.52 -1.58 1.63 -0.57 0.00 0.00 179.45 179.47 2i1s n LYS 87 N -3.95 0.64 -1.69 3.15 5.02 -0.70 -4.89 118.16 115.74 2i1s n LYS 87 Ca -0.02 0.45 -0.42 0.00 -2.02 0.00 0.00 58.31 56.30 2i1s n LYS 87 Cb 0.52 -1.73 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 2i1s n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i1s n ALA 88 N -3.28 2.30 -2.85 7.82 0.00 0.11 -4.96 120.51 119.66 2i1s n ALA 88 Ca -0.33 0.32 -0.36 0.00 0.00 0.00 0.00 53.44 53.07 2i1s n ALA 88 Cb 0.83 -2.59 -0.06 0.00 0.00 0.00 0.00 19.45 17.62 2i1s n ALA 88 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2i1s s LYS 89 N 2.58 3.36 0.25 0.00 -0.14 -1.26 -1.69 119.74 122.85 2i1s s LYS 89 Ca 0.81 -0.19 -0.03 0.00 -1.36 0.00 0.00 55.97 55.20 2i1s s LYS 89 Cb -0.48 -3.12 0.46 0.00 -1.68 0.00 0.00 37.83 33.01 2i1s s LYS 89 CO 0.36 0.76 1.78 -0.07 -0.76 0.00 0.00 175.35 177.43 2i1s h LEU 90 N 4.90 0.59 -1.53 3.17 3.38 -1.21 -2.01 115.31 122.60 2i1s h LEU 90 Ca -0.54 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2i1s h LEU 90 Cb 1.22 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2i1s h LEU 90 CO 0.58 0.30 0.00 0.77 0.09 0.00 0.00 178.44 180.18 2i1s h SER 91 N 0.70 0.00 1.11 -0.43 4.64 -1.79 0.21 113.55 117.99 2i1s h SER 91 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2i1s h SER 91 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2i1s h SER 91 CO -0.30 0.00 -0.49 0.44 -0.87 0.00 0.00 176.83 175.61 2i1s h ASP 92 N 0.00 0.00 0.00 4.97 3.32 -1.73 -3.43 116.42 119.56 2i1s h ASP 92 Ca 0.00 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 56.87 2i1s h ASP 92 Cb 0.12 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2i1s h ASP 92 CO 0.00 0.06 -1.03 -1.22 -1.72 0.00 0.00 179.24 175.33 2i1s n TYR 93 N -2.30 0.00 -2.56 4.55 4.01 -0.19 -4.56 117.16 116.11 2i1s n TYR 93 Ca 0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.35 2i1s n TYR 93 Cb 0.46 -0.14 -0.03 0.00 -0.31 0.00 0.00 39.34 39.32 2i1s n TYR 93 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2i1s s PHE 94 N -2.09 3.33 0.32 -0.72 0.40 0.56 -4.61 117.98 115.17 2i1s s PHE 94 Ca -0.06 1.38 0.07 0.00 -0.60 0.00 0.00 56.93 57.73 2i1s s PHE 94 Cb 0.02 -3.32 -0.03 0.00 0.51 0.00 0.00 43.02 40.21 2i1s s PHE 94 CO 0.07 -0.83 0.25 0.25 0.70 0.00 0.00 175.22 175.67 2i1s n THR 95 N 4.62 0.00 0.18 0.64 -2.24 -0.76 -4.73 114.28 111.99 2i1s n THR 95 Ca 0.10 -2.31 0.05 0.00 -2.27 0.00 0.00 64.05 59.61 2i1s n THR 95 Cb 0.47 1.12 0.27 0.00 -2.10 0.00 0.00 70.33 70.09 2i1s n THR 95 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2i1s h LEU 96 N 0.00 0.00 -3.69 3.22 3.38 -1.95 -2.66 115.31 113.61 2i1s h LEU 96 Ca -0.23 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.51 2i1s h LEU 96 Cb 1.14 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.76 2i1s h LEU 96 CO 0.34 0.42 0.25 -1.84 0.09 0.00 0.00 178.44 177.71 2i1s n GLU 97 N -3.49 3.37 -2.95 1.13 0.00 -1.26 -4.58 120.64 112.86 2i1s n GLU 97 Ca 0.00 -3.08 -0.13 0.00 0.00 0.00 0.00 57.16 53.95 2i1s n GLU 97 Cb 0.56 -2.15 -0.01 0.00 0.00 0.00 0.00 31.44 29.83 2i1s n GLU 97 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2i1s n ASN 98 N -0.37 -2.14 -0.10 -1.84 5.15 -1.01 -5.05 115.26 109.90 2i1s n ASN 98 Ca 0.40 -2.88 0.10 0.00 -0.60 0.00 0.00 54.58 51.60 2i1s n ASN 98 Cb 1.35 0.94 -0.09 0.00 -0.53 0.00 0.00 39.78 41.45 2i1s n ASN 98 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2i1s n LYS 99 N 2.31 0.63 -5.15 1.20 2.85 -1.18 -1.83 118.16 117.01 2i1s n LYS 99 Ca 0.18 -0.20 -0.30 0.00 -1.05 0.00 0.00 58.31 56.94 2i1s n LYS 99 Cb 0.56 -1.43 -0.16 0.00 -0.65 0.00 0.00 35.03 33.35 2i1s n LYS 99 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2i1s s GLU 100 N -2.76 1.96 0.15 -1.58 2.12 -1.26 0.58 118.70 117.91 2i1s s GLU 100 Ca 0.10 -0.97 0.06 0.00 0.36 0.00 0.00 54.97 54.52 2i1s s GLU 100 Cb 0.15 -1.97 -0.04 0.00 0.26 0.00 0.00 34.13 32.53 2i1s s GLU 100 CO 0.76 0.53 -0.14 0.00 -0.54 0.00 0.00 175.26 175.86 2i1s s ALA 101 N -0.66 1.67 -0.18 6.30 0.00 0.08 -4.65 121.76 124.32 2i1s s ALA 101 Ca 0.10 -1.42 -0.04 0.00 0.00 0.00 0.00 51.96 50.60 2i1s s ALA 101 Cb -0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 2i1s s ALA 101 CO 0.00 0.09 -0.03 -1.17 0.00 0.00 0.00 175.76 174.65 2i1s s LEU 102 N -2.74 3.19 -0.21 0.00 2.96 -0.12 -1.34 118.68 120.42 2i1s s LEU 102 Ca 0.14 -0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 53.81 2i1s s LEU 102 Cb -0.03 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 2i1s s LEU 102 CO 0.04 0.11 -0.02 -0.47 -1.32 0.00 0.00 176.35 174.69 2i1s s TYR 103 N 0.72 3.00 -0.14 5.38 5.04 -0.30 0.10 117.35 131.14 2i1s s TYR 103 Ca -0.01 -0.66 -0.04 0.00 -2.44 0.00 0.00 57.07 53.92 2i1s s TYR 103 Cb -0.14 -2.10 -0.03 0.00 0.35 0.00 0.00 41.96 40.04 2i1s s TYR 103 CO 0.02 -0.38 -0.02 0.99 -1.34 0.00 0.00 175.55 174.82 2i1s s THR 104 N 1.24 4.06 -0.05 4.34 2.01 0.39 0.07 115.64 127.69 2i1s s THR 104 Ca 0.03 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.74 2i1s s THR 104 Cb -0.15 -2.77 0.02 0.00 0.01 0.00 0.00 72.50 69.62 2i1s s THR 104 CO 0.00 0.52 -0.08 -0.47 -0.69 0.00 0.00 174.62 173.90 2i1s s TYR 105 N 0.07 1.03 -0.03 4.92 5.04 -0.05 -0.69 117.35 127.64 2i1s s TYR 105 Ca 0.01 -0.32 -0.02 0.00 -2.44 0.00 0.00 57.07 54.29 2i1s s TYR 105 Cb -0.13 -0.80 0.01 0.00 0.35 0.00 0.00 41.96 41.38 2i1s s TYR 105 CO 0.02 -0.20 0.04 -3.47 -1.34 0.00 0.00 175.55 170.61 2i1s n ASP 106 N 3.82 -1.72 -0.00 4.32 4.64 0.43 -1.71 116.55 126.33 2i1s n ASP 106 Ca -0.23 0.24 0.16 0.00 -1.38 0.00 0.00 54.79 53.57 2i1s n ASP 106 Cb 0.52 -1.75 0.91 0.00 -1.04 0.00 0.00 41.12 39.75 2i1s n ASP 106 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 2i1s n PHE 107 N 0.30 0.00 -0.06 -0.67 3.72 -1.26 0.69 117.46 120.18 2i1s n PHE 107 Ca -0.07 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.28 2i1s n PHE 107 Cb 0.12 -0.06 -0.01 0.00 -0.94 0.00 0.00 39.48 38.58 2i1s n PHE 107 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2i1s n GLY 108 N 1.07 -0.76 0.20 1.37 0.00 -1.26 -4.58 105.19 101.23 2i1s n GLY 108 Ca 0.22 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 46.13 2i1s n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2i1s h ASP 109 N -0.75 0.00 -4.90 1.61 5.19 -1.89 -3.48 116.42 112.19 2i1s h ASP 109 Ca 0.00 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.18 2i1s h ASP 109 Cb 0.49 0.00 0.15 0.00 0.18 0.00 0.00 39.33 40.15 2i1s h ASP 109 CO 0.00 0.35 -0.64 -3.20 -3.12 0.00 0.00 179.24 172.62 2i1s n ASN 110 N -3.69 -3.79 -4.74 6.45 5.15 0.22 -4.11 115.26 110.74 2i1s n ASN 110 Ca -0.01 -0.52 -0.41 0.00 -0.60 0.00 0.00 54.58 53.04 2i1s n ASN 110 Cb 0.45 -4.18 -0.04 0.00 -0.53 0.00 0.00 39.78 35.48 2i1s n ASN 110 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 2i1s s TRP 111 N -3.30 3.52 -0.09 1.20 0.52 -0.70 -4.84 118.94 115.26 2i1s s TRP 111 Ca 0.18 1.52 0.02 0.00 0.02 0.00 0.00 56.10 57.83 2i1s s TRP 111 Cb -0.02 -3.34 0.01 0.00 -1.15 0.00 0.00 33.47 28.97 2i1s s TRP 111 CO 0.58 -0.85 -0.14 -0.65 0.02 0.00 0.00 176.95 175.91 2i1s s GLN 112 N -0.18 2.00 -0.18 4.98 -0.21 -1.26 -0.87 119.66 123.94 2i1s s GLN 112 Ca 0.51 -0.49 -0.03 0.00 0.02 0.00 0.00 55.36 55.37 2i1s s GLN 112 Cb -0.30 -1.70 -0.01 0.00 1.00 0.00 0.00 33.01 32.00 2i1s s GLN 112 CO 0.35 -0.03 -0.07 0.08 -2.12 0.00 0.00 175.29 173.50 2i1s s VAL 113 N 0.89 3.34 0.07 1.09 1.01 0.11 -1.03 120.40 125.89 2i1s s VAL 113 Ca -0.09 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 2i1s s VAL 113 Cb -0.15 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 2i1s s VAL 113 CO 0.00 0.47 0.99 -0.54 0.00 0.00 0.00 175.10 176.02 2i1s s LYS 114 N 0.95 4.62 -0.20 2.72 1.02 0.50 -1.15 119.74 128.20 2i1s s LYS 114 Ca -0.01 1.47 -0.00 0.00 0.02 0.00 0.00 55.97 57.45 2i1s s LYS 114 Cb -0.15 -3.40 0.02 0.00 -0.52 0.00 0.00 37.83 33.78 2i1s s LYS 114 CO 0.00 0.07 -0.14 0.08 -0.92 0.00 0.00 175.35 174.44 2i1s s VAL 115 N 0.46 2.45 -0.14 3.17 1.01 -0.45 -1.39 120.40 125.51 2i1s s VAL 115 Ca 0.50 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2i1s s VAL 115 Cb -0.23 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.07 2i1s s VAL 115 CO 0.29 0.45 -0.15 -0.60 0.00 0.00 0.00 175.10 175.09 2i1s s ARG 116 N 1.33 2.39 -0.11 2.72 6.06 -0.04 -0.74 118.95 130.55 2i1s s ARG 116 Ca 0.04 -0.60 -0.29 0.00 -2.50 0.00 0.00 55.73 52.38 2i1s s ARG 116 Cb -0.14 -2.12 -0.04 0.00 0.06 0.00 0.00 34.95 32.70 2i1s s ARG 116 CO -0.09 -0.19 1.61 -1.17 -2.50 0.00 0.00 175.30 172.96 2i1s s LEU 117 N 1.33 4.18 -0.25 -0.88 2.96 0.20 0.02 118.68 126.23 2i1s s LEU 117 Ca 0.02 2.01 0.01 0.00 -0.22 0.00 0.00 54.13 55.95 2i1s s LEU 117 Cb -0.13 -3.53 -0.17 0.00 0.50 0.00 0.00 46.19 42.85 2i1s s LEU 117 CO -0.09 -1.01 -0.19 -0.62 -1.32 0.00 0.00 176.35 173.12 2i1s n GLU 118 N 7.24 0.66 -3.77 1.98 1.02 0.79 -4.88 120.64 123.68 2i1s n GLU 118 Ca 0.18 0.16 -0.13 0.00 -0.02 0.00 0.00 57.16 57.35 2i1s n GLU 118 Cb 0.44 -1.53 -0.11 0.00 -0.02 0.00 0.00 31.44 30.22 2i1s n GLU 118 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2i1s s LYS 119 N -2.52 0.40 -0.24 3.49 1.02 -1.16 -5.01 119.74 115.71 2i1s s LYS 119 Ca -0.34 0.37 -0.06 0.00 0.02 0.00 0.00 55.97 55.96 2i1s s LYS 119 Cb 0.09 0.19 -0.02 0.00 -0.52 0.00 0.00 37.83 37.57 2i1s s LYS 119 CO 0.61 -0.06 0.02 0.42 -0.92 0.00 0.00 175.35 175.42 2i1s s ILE 120 N 0.01 3.88 0.06 2.17 1.01 -1.26 0.13 121.20 127.20 2i1s s ILE 120 Ca -0.01 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.30 2i1s s ILE 120 Cb -0.03 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 2i1s s ILE 120 CO 0.01 0.36 -0.06 -0.76 0.00 0.00 0.00 174.94 174.48 2i1s s LEU 121 N 1.55 2.37 0.46 2.97 1.43 -0.41 -4.95 118.68 122.10 2i1s s LEU 121 Ca 0.06 -0.75 -0.25 0.00 -1.03 0.00 0.00 54.13 52.16 2i1s s LEU 121 Cb -0.15 -0.05 -0.08 0.00 0.03 0.00 0.00 46.19 45.94 2i1s s LEU 121 CO 0.01 -0.35 1.39 -2.65 0.23 0.00 0.00 176.35 174.97 2i1s n PRO 122 N 0.81 2.11 -1.85 1.29 -0.02 -1.26 0.11 135.00 136.19 2i1s n PRO 122 Ca -0.18 0.75 -0.34 0.00 -2.02 0.00 0.00 63.50 61.71 2i1s n PRO 122 Cb 0.58 -2.58 0.05 0.00 -0.02 0.00 0.00 33.50 31.52 2i1s n PRO 122 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2i1s s ARG 123 N -2.47 2.80 -0.03 -0.52 1.70 0.67 -4.63 118.95 116.47 2i1s s ARG 123 Ca 0.63 1.62 -0.14 0.00 -0.47 0.00 0.00 55.73 57.36 2i1s s ARG 123 Cb -0.45 -1.93 -0.05 0.00 -0.57 0.00 0.00 34.95 31.94 2i1s s ARG 123 CO 0.56 -1.29 0.38 0.21 -1.08 0.00 0.00 175.30 174.09 2i1s s LYS 124 N -3.71 3.94 0.09 3.89 2.20 -1.26 -5.02 119.74 119.87 2i1s s LYS 124 Ca 0.72 0.35 -0.31 0.00 -0.36 0.00 0.00 55.97 56.37 2i1s s LYS 124 Cb -0.25 -3.25 -0.10 0.00 -1.51 0.00 0.00 37.83 32.72 2i1s s LYS 124 CO 0.37 0.62 1.86 -2.00 -0.36 0.00 0.00 175.35 175.85 2i1s s GLU 125 N -0.82 4.14 0.00 4.03 -6.30 -1.26 -2.66 118.70 115.82 2i1s s GLU 125 Ca 0.23 2.59 0.00 0.00 -2.50 0.00 0.00 54.97 55.29 2i1s s GLU 125 Cb -0.16 -3.77 0.00 0.00 0.00 0.00 0.00 34.13 30.20 2i1s s GLU 125 CO 0.12 -0.87 0.00 0.41 0.02 0.00 0.00 175.26 174.93 2i1s n GLY 126 N 4.32 1.90 3.73 -1.50 0.00 -1.26 -5.02 105.19 107.35 2i1s n GLY 126 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2i1s n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i1s s VAL 127 N -2.46 4.47 -0.38 1.61 1.01 -1.09 -5.03 120.40 118.53 2i1s s VAL 127 Ca 0.00 2.07 -0.15 0.00 0.00 0.00 0.00 61.98 63.90 2i1s s VAL 127 Cb 0.00 -4.32 0.01 0.00 0.00 0.00 0.00 36.38 32.06 2i1s s VAL 127 CO 0.00 0.33 0.33 -0.70 0.00 0.00 0.00 175.10 175.06 2i1s s GLU 128 N -0.10 3.23 0.20 2.72 2.12 -1.26 -4.89 118.70 120.71 2i1s s GLU 128 Ca 0.46 -0.76 -0.07 0.00 0.36 0.00 0.00 54.97 54.97 2i1s s GLU 128 Cb -0.23 -3.91 -0.06 0.00 0.26 0.00 0.00 34.13 30.19 2i1s s GLU 128 CO 0.30 -0.67 0.47 0.71 -0.54 0.00 0.00 175.26 175.53 2i1s s TYR 129 N 1.86 3.45 0.67 5.30 2.02 -1.26 -4.35 117.35 125.04 2i1s s TYR 129 Ca 0.08 0.69 -0.13 0.00 -0.37 0.00 0.00 57.07 57.34 2i1s s TYR 129 Cb -0.18 -2.12 0.00 0.00 -0.40 0.00 0.00 41.96 39.27 2i1s s TYR 129 CO 0.11 0.34 1.07 -1.25 -1.57 0.00 0.00 175.55 174.25 2i1s s PRO 130 N -2.84 2.91 0.12 -1.71 0.04 -1.26 -4.90 135.00 127.36 2i1s s PRO 130 Ca 0.44 1.15 0.05 0.00 0.04 0.00 0.00 61.00 62.68 2i1s s PRO 130 Cb -0.12 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2i1s s PRO 130 CO 0.24 -1.13 -0.13 0.96 0.04 0.00 0.00 177.00 176.98 2i1s s ILE 131 N -2.71 1.22 -0.24 0.56 -4.36 -0.94 -4.93 121.20 109.81 2i1s s ILE 131 Ca 0.62 -1.75 -0.04 0.00 -0.26 0.00 0.00 60.65 59.22 2i1s s ILE 131 Cb -0.16 -1.54 -0.00 0.00 1.25 0.00 0.00 42.46 42.01 2i1s s ILE 131 CO 0.47 -0.50 -0.03 0.00 0.24 0.00 0.00 174.94 175.12 2i1s n THR 133 N 4.79 1.01 -3.53 0.00 -2.24 -0.39 -4.77 114.28 109.14 2i1s n THR 133 Ca -0.17 -0.68 -0.07 0.00 -2.27 0.00 0.00 64.05 60.86 2i1s n THR 133 Cb 0.50 -0.57 -0.02 0.00 -2.10 0.00 0.00 70.33 68.14 2i1s n THR 133 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i1s s ALA 134 N -2.99 -1.90 -0.03 6.98 0.00 -1.24 -4.95 121.76 117.64 2i1s s ALA 134 Ca -0.04 1.22 -0.30 0.00 0.00 0.00 0.00 51.96 52.84 2i1s s ALA 134 Cb 0.09 0.19 0.11 0.00 0.00 0.00 0.00 23.12 23.51 2i1s s ALA 134 CO 0.82 -0.64 1.12 0.20 0.00 0.00 0.00 175.76 177.27 2i1s s GLY 135 N -2.31 -0.35 -0.01 0.00 0.00 -1.26 0.19 107.32 103.57 2i1s s GLY 135 Ca 0.06 0.89 0.01 0.00 0.00 0.00 0.00 44.72 45.67 2i1s s GLY 135 CO -0.07 0.25 -0.01 1.25 0.00 0.00 0.00 173.10 174.51 2i1s s LYS 136 N -2.73 0.21 0.00 2.90 2.47 0.30 -4.96 119.74 117.92 2i1s s LYS 136 Ca 0.11 -0.03 0.00 0.00 -1.56 0.00 0.00 55.97 54.49 2i1s s LYS 136 Cb 0.01 -0.27 0.00 0.00 -1.46 0.00 0.00 37.83 36.11 2i1s s LYS 136 CO -0.04 -0.01 0.00 0.54 0.16 0.00 0.00 175.35 176.00 2i1s n ARG 137 N 3.39 0.00 -1.96 4.03 1.74 -1.26 -2.12 116.66 120.48 2i1s n ARG 137 Ca -0.17 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.49 2i1s n ARG 137 Cb 0.56 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.98 2i1s n ARG 137 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2i1s s ALA 138 N -3.47 3.65 0.64 7.54 0.00 0.46 -4.53 121.76 126.05 2i1s s ALA 138 Ca 0.00 1.38 -0.18 0.00 0.00 0.00 0.00 51.96 53.16 2i1s s ALA 138 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 2i1s s ALA 138 CO 0.00 -0.80 1.20 0.00 0.00 0.00 0.00 175.76 176.17 2i1s n ALA 139 N 2.23 0.88 -1.95 0.00 0.00 -1.26 -4.96 120.51 115.46 2i1s n ALA 139 Ca 0.07 -0.01 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 2i1s n ALA 139 Cb 0.40 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 2i1s n ALA 139 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2i1s s VAL 140 N -1.43 2.92 0.72 0.00 -7.23 -1.26 -4.97 120.40 109.15 2i1s s VAL 140 Ca 0.81 0.75 -0.14 0.00 -1.81 0.00 0.00 61.98 61.60 2i1s s VAL 140 Cb -0.39 -3.48 0.03 0.00 0.56 0.00 0.00 36.38 33.10 2i1s s VAL 140 CO 0.42 0.11 1.13 -2.84 -0.31 0.00 0.00 175.10 173.61 2i1s s PRO 141 N -0.13 2.39 0.34 4.82 0.02 -1.26 -4.94 135.00 136.24 2i1s s PRO 141 Ca 0.59 1.46 -0.28 0.00 0.02 0.00 0.00 61.00 62.79 2i1s s PRO 141 Cb -0.39 -1.89 -0.12 0.00 0.02 0.00 0.00 34.50 32.11 2i1s s PRO 141 CO 0.40 -1.58 1.33 0.39 -0.33 0.00 0.00 177.00 177.21 2i1s n GLU 142 N -2.83 2.20 -1.08 5.54 -0.58 -1.26 -3.26 120.64 119.36 2i1s n GLU 142 Ca 0.11 0.77 -0.03 0.00 -0.42 0.00 0.00 57.16 57.59 2i1s n GLU 142 Cb 0.52 -2.38 -0.01 0.00 -0.57 0.00 0.00 31.44 28.99 2i1s n GLU 142 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2i1s n ASP 143 N 0.88 -3.96 -0.01 1.62 8.00 -1.26 -4.88 116.55 116.93 2i1s n ASP 143 Ca 0.05 0.07 0.02 0.00 0.71 0.00 0.00 54.79 55.64 2i1s n ASP 143 Cb 0.36 -1.71 0.14 0.00 -0.02 0.00 0.00 41.12 39.89 2i1s n ASP 143 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2i1s n SER 144 N 0.14 0.03 0.00 -2.24 3.41 -1.20 -4.85 113.62 108.90 2i1s n SER 144 Ca -0.03 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 2i1s n SER 144 Cb 0.20 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2i1s n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2i1s n GLY 145 N 0.58 0.87 3.53 5.00 0.00 -1.26 -2.54 105.19 111.37 2i1s n GLY 145 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2i1s n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i1s n GLY 146 N -2.24 -2.24 0.32 -0.02 0.00 -1.26 -2.27 105.19 97.48 2i1s n GLY 146 Ca 0.00 -1.64 -0.05 0.00 0.00 0.00 0.00 46.02 44.33 2i1s n GLY 146 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2i1s h VAL 147 N 0.00 1.25 0.08 1.61 -1.51 -1.89 -1.24 116.25 114.56 2i1s h VAL 147 Ca 0.00 -0.85 -0.00 0.00 -1.23 0.00 0.00 66.70 64.61 2i1s h VAL 147 Cb 0.00 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 29.65 2i1s h VAL 147 CO 0.00 0.33 -0.04 -0.50 -1.23 0.00 0.00 177.57 176.14 2i1s h TRP 148 N 1.01 -0.10 -0.43 5.19 -0.00 -1.93 -0.65 115.95 119.05 2i1s h TRP 148 Ca 0.22 -0.00 0.05 0.00 -0.00 0.00 0.00 58.89 59.16 2i1s h TRP 148 Cb 0.28 0.03 -0.05 0.00 -0.00 0.00 0.00 29.16 29.43 2i1s h TRP 148 CO 0.02 0.04 0.16 0.78 -0.00 0.00 0.00 178.44 179.44 2i1s h GLY 149 N -0.23 0.56 0.85 1.49 0.00 -1.16 -1.63 103.07 102.95 2i1s h GLY 149 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 2i1s h GLY 149 CO 0.02 0.03 0.05 -1.82 0.00 0.00 0.00 176.54 174.82 2i1s h TYR 150 N 0.33 0.23 -0.81 5.60 3.20 -0.94 -2.47 116.97 122.11 2i1s h TYR 150 Ca 0.20 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 2i1s h TYR 150 Cb 0.18 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 2i1s h TYR 150 CO -0.15 0.34 0.49 0.93 -1.64 0.00 0.00 178.16 178.13 2i1s h GLU 151 N 0.06 1.10 -0.09 1.82 4.39 -1.02 -1.85 114.58 118.98 2i1s h GLU 151 Ca 0.05 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.67 2i1s h GLU 151 Cb 0.21 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2i1s h GLU 151 CO -0.00 0.77 -0.00 0.93 -1.16 0.00 0.00 179.01 179.54 2i1s h GLU 152 N 1.12 0.03 -0.57 2.33 5.08 -1.21 -0.92 114.58 120.44 2i1s h GLU 152 Ca 0.29 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.77 2i1s h GLU 152 Cb -0.05 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.10 2i1s h GLU 152 CO -0.06 0.02 0.04 0.52 -1.00 0.00 0.00 179.01 178.53 2i1s h MET 153 N 0.03 0.15 -0.23 2.33 2.86 -1.15 -1.68 114.93 117.24 2i1s h MET 153 Ca 0.04 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 2i1s h MET 153 Cb 0.05 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2i1s h MET 153 CO -0.07 0.10 -0.01 -0.07 1.06 0.00 0.00 176.91 177.91 2i1s h LEU 154 N 0.15 0.32 0.03 1.22 3.38 -0.89 -1.19 115.31 118.33 2i1s h LEU 154 Ca 0.30 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 2i1s h LEU 154 Cb 0.46 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2i1s h LEU 154 CO -0.46 0.39 -0.02 -0.33 0.09 0.00 0.00 178.44 178.11 2i1s h GLU 155 N 0.34 -0.04 -0.84 1.13 4.39 -0.77 -2.82 114.58 115.96 2i1s h GLU 155 Ca 0.08 0.00 0.21 0.00 0.34 0.00 0.00 59.36 59.99 2i1s h GLU 155 Cb 0.25 0.01 -0.13 0.00 -0.10 0.00 0.00 28.75 28.77 2i1s h GLU 155 CO 0.01 0.32 0.19 0.28 -1.16 0.00 0.00 179.01 178.64 2i1s h VAL 156 N -0.41 0.35 0.00 3.13 2.07 -1.08 -2.52 116.25 117.80 2i1s h VAL 156 Ca -0.00 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2i1s h VAL 156 Cb 0.38 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2i1s h VAL 156 CO 0.01 0.04 -0.00 -0.07 0.02 0.00 0.00 177.57 177.56 2i1s h LEU 157 N 0.20 0.00 0.00 2.57 3.38 -0.96 -1.63 115.31 118.87 2i1s h LEU 157 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2i1s h LEU 157 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2i1s h LEU 157 CO -0.64 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.19 2i1s n LYS 158 N -4.14 0.61 -3.34 1.13 5.02 -0.95 -4.36 118.16 112.13 2i1s n LYS 158 Ca -0.03 0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 56.07 2i1s n LYS 158 Cb 0.09 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.52 2i1s n LYS 158 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2i1s s ASP 159 N -2.12 1.41 0.00 4.39 -1.08 -0.61 -4.99 116.67 113.67 2i1s s ASP 159 Ca 0.30 -2.09 0.02 0.00 -0.52 0.00 0.00 52.55 50.26 2i1s s ASP 159 Cb 0.15 0.23 0.10 0.00 -1.46 0.00 0.00 42.92 41.93 2i1s s ASP 159 CO 0.27 -0.23 0.70 -1.54 0.52 0.00 0.00 175.17 174.89 2i1s n SER 160 N 3.75 0.00 -0.30 -0.34 3.41 -1.26 -0.15 113.62 118.73 2i1s n SER 160 Ca 0.16 0.08 0.08 0.00 -0.26 0.00 0.00 58.87 58.93 2i1s n SER 160 Cb 0.45 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.26 2i1s n SER 160 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2i1s n GLU 161 N -1.12 1.69 -1.57 4.33 -0.58 -1.26 -4.91 120.64 117.23 2i1s n GLU 161 Ca 0.01 -0.66 -0.41 0.00 -0.42 0.00 0.00 57.16 55.68 2i1s n GLU 161 Cb 0.01 -1.28 0.01 0.00 -0.57 0.00 0.00 31.44 29.61 2i1s n GLU 161 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2i1s n HIS 162 N -0.36 0.71 0.22 -0.32 -0.00 0.79 -4.87 115.22 111.39 2i1s n HIS 162 Ca 0.06 0.58 0.06 0.00 0.46 0.00 0.00 57.72 58.87 2i1s n HIS 162 Cb 0.32 -2.16 0.53 0.00 -0.12 0.00 0.00 29.99 28.56 2i1s n HIS 162 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 2i1s h GLU 163 N 1.30 0.04 -0.19 1.57 3.07 -1.94 -2.40 114.58 116.03 2i1s h GLU 163 Ca -0.43 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.41 2i1s h GLU 163 Cb 1.36 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.25 2i1s h GLU 163 CO 0.55 0.15 -0.02 -0.85 -1.40 0.00 0.00 179.01 177.45 2i1s n GLU 164 N -4.39 2.32 -0.00 2.33 0.28 -1.26 -4.68 120.64 115.24 2i1s n GLU 164 Ca -0.02 -2.81 -0.10 0.00 -0.16 0.00 0.00 57.16 54.07 2i1s n GLU 164 Cb 0.20 -1.74 -0.04 0.00 1.43 0.00 0.00 31.44 31.28 2i1s n GLU 164 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 2i1s h TYR 165 N 1.19 -0.14 -0.24 -1.84 3.20 -1.71 -1.27 116.97 116.17 2i1s h TYR 165 Ca 0.02 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 2i1s h TYR 165 Cb 1.33 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 2i1s h TYR 165 CO 0.41 -0.09 -0.18 0.93 -1.64 0.00 0.00 178.16 177.59 2i1s h GLU 166 N -0.05 0.41 -0.07 1.82 5.08 -1.83 -1.23 114.58 118.70 2i1s h GLU 166 Ca 0.06 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 2i1s h GLU 166 Cb 0.15 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2i1s h GLU 166 CO -0.14 0.58 -0.47 -0.44 -1.00 0.00 0.00 179.01 177.53 2i1s h ASP 167 N 0.37 0.20 -0.06 1.42 3.45 -1.84 -2.12 116.42 117.84 2i1s h ASP 167 Ca 0.07 -0.09 -0.15 0.00 0.43 0.00 0.00 57.03 57.29 2i1s h ASP 167 Cb 0.53 -0.06 0.01 0.00 -0.56 0.00 0.00 39.33 39.26 2i1s h ASP 167 CO 0.03 0.64 -0.53 0.74 -1.57 0.00 0.00 179.24 178.55 2i1s h THR 168 N 0.15 1.40 -0.70 0.35 2.02 -0.46 -1.93 112.91 113.73 2i1s h THR 168 Ca 0.01 -1.93 0.05 0.00 0.77 0.00 0.00 66.41 65.31 2i1s h THR 168 Cb 0.89 2.38 -0.05 0.00 -1.74 0.00 0.00 68.15 69.63 2i1s h THR 168 CO 0.07 0.57 0.40 0.58 0.37 0.00 0.00 175.52 177.51 2i1s h VAL 169 N 0.00 1.00 -0.71 3.16 2.07 -1.25 -0.89 116.25 119.63 2i1s h VAL 169 Ca -0.05 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 2i1s h VAL 169 Cb 1.21 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2i1s h VAL 169 CO 0.11 0.14 0.28 0.25 0.02 0.00 0.00 177.57 178.37 2i1s h LEU 170 N 0.75 0.98 0.04 2.57 5.85 -1.37 0.47 115.31 124.61 2i1s h LEU 170 Ca 0.30 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2i1s h LEU 170 Cb 0.15 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.93 2i1s h LEU 170 CO -0.17 0.89 -0.02 -0.25 -0.34 0.00 0.00 178.44 178.55 2i1s h TRP 171 N 1.02 -0.05 0.00 1.25 7.01 -0.75 -3.20 115.95 121.22 2i1s h TRP 171 Ca 0.24 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.23 2i1s h TRP 171 Cb 0.22 0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.29 2i1s h TRP 171 CO 0.02 0.12 -0.78 -0.07 -2.79 0.00 0.00 178.44 174.94 2i1s h LEU 172 N -0.22 0.00 0.00 0.65 3.38 -1.13 -3.51 115.31 114.48 2i1s h LEU 172 Ca -0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2i1s h LEU 172 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2i1s h LEU 172 CO 0.01 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.18 2i1s n GLY 173 N 1.22 0.90 0.20 0.83 0.00 0.16 -4.44 105.19 104.06 2i1s n GLY 173 Ca 0.01 -1.68 -0.02 0.00 0.00 0.00 0.00 46.02 44.33 2i1s n GLY 173 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2i1s h ASP 174 N 0.00 0.04 0.04 1.61 3.32 -1.89 -2.80 116.42 116.73 2i1s h ASP 174 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2i1s h ASP 174 Cb 0.00 0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2i1s h ASP 174 CO 0.00 0.05 -0.02 -0.90 -1.72 0.00 0.00 179.24 176.65 2i1s n ASP 175 N -5.09 0.83 -4.73 6.45 3.85 -1.26 -4.92 116.55 111.68 2i1s n ASP 175 Ca 0.06 -1.19 -0.42 0.00 -0.71 0.00 0.00 54.79 52.52 2i1s n ASP 175 Cb 0.24 -0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 39.98 2i1s n ASP 175 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 2i1s s PHE 176 N -2.07 3.01 -0.24 2.11 5.36 -1.06 -4.99 117.98 120.10 2i1s s PHE 176 Ca 0.40 0.72 -0.02 0.00 -0.96 0.00 0.00 56.93 57.07 2i1s s PHE 176 Cb 0.21 -3.93 0.07 0.00 -0.34 0.00 0.00 43.02 39.03 2i1s s PHE 176 CO 0.37 -3.33 0.04 0.34 -1.46 0.00 0.00 175.22 171.19 2i1s s ASP 177 N 0.89 3.44 0.65 6.13 -1.08 -1.26 -5.03 116.67 120.41 2i1s s ASP 177 Ca 0.67 -1.16 0.32 0.00 -0.52 0.00 0.00 52.55 51.87 2i1s s ASP 177 Cb -0.44 -0.77 1.76 0.00 -1.46 0.00 0.00 42.92 42.01 2i1s s ASP 177 CO 0.36 -0.33 2.02 1.55 0.52 0.00 0.00 175.17 179.29 2i1s h PRO 178 N 8.15 0.00 -0.15 4.34 0.13 -1.95 -2.41 132.00 140.11 2i1s h PRO 178 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2i1s h PRO 178 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2i1s h PRO 178 CO 0.39 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.55 2i1s n GLU 179 N -3.12 2.17 -2.91 0.86 -0.58 -1.26 -0.40 120.64 115.40 2i1s n GLU 179 Ca -0.01 -1.95 -0.41 0.00 -0.42 0.00 0.00 57.16 54.37 2i1s n GLU 179 Cb 0.35 -1.44 -0.04 0.00 -0.57 0.00 0.00 31.44 29.73 2i1s n GLU 179 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 2i1s s TYR 180 N -1.67 3.36 -0.08 -0.32 5.04 -0.91 -4.31 117.35 118.47 2i1s s TYR 180 Ca 0.29 1.16 -0.14 0.00 -2.44 0.00 0.00 57.07 55.94 2i1s s TYR 180 Cb 0.19 -3.02 0.03 0.00 0.35 0.00 0.00 41.96 39.52 2i1s s TYR 180 CO 0.28 -0.32 0.35 0.12 -1.34 0.00 0.00 175.55 174.63 2i1s s PHE 181 N 2.50 -0.30 -0.06 4.97 5.36 -1.26 -2.94 117.98 126.25 2i1s s PHE 181 Ca 0.36 0.64 -0.02 0.00 -0.96 0.00 0.00 56.93 56.94 2i1s s PHE 181 Cb -0.16 0.12 0.03 0.00 -0.34 0.00 0.00 43.02 42.68 2i1s s PHE 181 CO 0.09 -0.30 0.07 0.34 -1.46 0.00 0.00 175.22 173.97 2i1s s ASP 182 N -0.57 1.24 0.67 6.13 -1.08 -1.26 -4.93 116.67 116.87 2i1s s ASP 182 Ca -0.07 0.02 0.45 0.00 -0.52 0.00 0.00 52.55 52.43 2i1s s ASP 182 Cb -0.04 -0.12 2.42 0.00 -1.46 0.00 0.00 42.92 43.72 2i1s s ASP 182 CO 0.03 -0.26 2.37 1.55 0.52 0.00 0.00 175.17 179.37 2i1s h PRO 183 N 8.43 0.00 0.00 4.34 0.13 -1.92 -1.25 132.00 141.73 2i1s h PRO 183 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2i1s h PRO 183 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2i1s h PRO 183 CO 0.16 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.56 2i1s n LYS 184 N -3.09 0.30 0.19 0.86 5.02 -1.26 -3.00 118.16 117.19 2i1s n LYS 184 Ca -0.03 0.02 0.09 0.00 -2.02 0.00 0.00 58.31 56.37 2i1s n LYS 184 Cb 0.08 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 33.71 2i1s n LYS 184 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2i1s h ASP 185 N 0.00 0.00 -3.27 4.39 3.32 -1.65 -3.46 116.42 115.74 2i1s h ASP 185 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 2i1s h ASP 185 Cb 0.33 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.90 2i1s h ASP 185 CO 0.00 0.15 0.64 -0.69 -1.72 0.00 0.00 179.24 177.61 2i1s s VAL 186 N -3.14 3.45 -0.17 -1.35 1.01 -1.16 -5.02 120.40 114.01 2i1s s VAL 186 Ca 0.06 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.17 2i1s s VAL 186 Cb 0.06 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.75 2i1s s VAL 186 CO 0.69 0.14 -0.12 -0.55 0.00 0.00 0.00 175.10 175.26 2i1s s SER 187 N 0.61 2.96 0.00 3.32 0.15 -1.26 -4.99 113.70 114.50 2i1s s SER 187 Ca 0.58 -0.66 0.28 0.00 0.70 0.00 0.00 55.95 56.85 2i1s s SER 187 Cb -0.35 -1.17 1.01 0.00 -1.71 0.00 0.00 66.02 63.81 2i1s s SER 187 CO 0.34 -0.10 1.72 0.49 1.20 0.00 0.00 173.24 176.89