#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i1s n LYS 3 N 0.00 0.79 -3.40 -1.58 4.81 -1.26 -4.74 118.16 112.78 2i1s n LYS 3 Ca 0.00 -0.10 -0.44 0.00 -0.87 0.00 0.00 58.31 56.90 2i1s n LYS 3 Cb 0.00 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 33.47 2i1s n LYS 3 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2i1s s THR 4 N -2.28 5.23 0.01 3.15 2.01 -1.26 -5.03 115.64 117.47 2i1s s THR 4 Ca 0.37 -0.97 -0.28 0.00 0.31 0.00 0.00 61.69 61.12 2i1s s THR 4 Cb 0.21 -4.09 0.08 0.00 0.01 0.00 0.00 72.50 68.71 2i1s s THR 4 CO 0.42 -0.53 0.72 0.72 -0.69 0.00 0.00 174.62 175.26 2i1s s PHE 5 N 1.67 -0.54 -0.18 4.92 -0.71 -1.26 -4.94 117.98 116.95 2i1s s PHE 5 Ca 0.05 0.66 0.08 0.00 -1.04 0.00 0.00 56.93 56.68 2i1s s PHE 5 Cb -0.23 0.48 -0.22 0.00 -1.21 0.00 0.00 43.02 41.84 2i1s s PHE 5 CO 0.07 -0.65 0.12 0.39 -1.34 0.00 0.00 175.22 173.82 2i1s n GLU 6 N 0.28 0.68 -4.35 1.99 -0.58 -1.26 -4.87 120.64 112.53 2i1s n GLU 6 Ca -0.16 0.13 -0.24 0.00 -0.42 0.00 0.00 57.16 56.48 2i1s n GLU 6 Cb 0.61 -1.60 -0.12 0.00 -0.57 0.00 0.00 31.44 29.76 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 1.32 0.11 3.49 -0.14 -1.26 -0.29 119.74 120.44 2i1s s LYS 7 Ca -0.19 -1.40 0.09 0.00 -1.36 0.00 0.00 55.97 53.12 2i1s s LYS 7 Cb 0.07 -1.50 -0.04 0.00 -1.68 0.00 0.00 37.83 34.69 2i1s s LYS 7 CO 0.75 0.32 -0.21 0.14 -0.76 0.00 0.00 175.35 175.59 2i1s s VAL 8 N -1.77 2.65 -0.23 3.17 -7.23 0.62 -1.35 120.40 116.26 2i1s s VAL 8 Ca 0.16 -1.54 -0.14 0.00 -1.81 0.00 0.00 61.98 58.64 2i1s s VAL 8 Cb -0.07 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 2i1s s VAL 8 CO 0.07 0.13 0.32 -0.31 -0.31 0.00 0.00 175.10 174.99 2i1s s TYR 9 N -1.09 3.32 -0.43 2.82 2.02 0.32 -1.10 117.35 123.22 2i1s s TYR 9 Ca 0.16 0.44 -0.20 0.00 -0.37 0.00 0.00 57.07 57.10 2i1s s TYR 9 Cb -0.10 -2.46 0.02 0.00 -0.40 0.00 0.00 41.96 39.02 2i1s s TYR 9 CO 0.08 -0.04 0.62 -1.01 -1.57 0.00 0.00 175.55 173.63 2i1s s HIS 10 N 1.42 3.08 -0.04 2.71 3.76 0.36 -1.68 115.29 124.90 2i1s s HIS 10 Ca 0.14 -0.04 0.04 0.00 -0.15 0.00 0.00 55.06 55.06 2i1s s HIS 10 Cb -0.15 -3.29 -0.03 0.00 1.11 0.00 0.00 32.58 30.23 2i1s s HIS 10 CO 0.07 -0.83 -0.16 -0.51 -0.85 0.00 0.00 174.74 172.47 2i1s s LEU 11 N 2.75 2.65 -0.17 0.89 1.43 0.25 -0.16 118.68 126.32 2i1s s LEU 11 Ca 0.22 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 53.01 2i1s s LEU 11 Cb -0.14 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 2i1s s LEU 11 CO 0.18 0.34 0.07 -0.75 0.23 0.00 0.00 176.35 176.42 2i1s s LYS 12 N -0.75 3.83 -0.17 1.70 2.20 0.23 -1.66 119.74 125.12 2i1s s LYS 12 Ca 0.11 -0.31 -0.01 0.00 -0.36 0.00 0.00 55.97 55.40 2i1s s LYS 12 Cb -0.11 -3.18 -0.00 0.00 -1.51 0.00 0.00 37.83 33.03 2i1s s LYS 12 CO 0.01 0.38 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.74 2i1s s LEU 13 N 0.06 2.58 -0.11 5.43 1.43 -0.03 -0.46 118.68 127.58 2i1s s LEU 13 Ca 0.06 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 2i1s s LEU 13 Cb -0.12 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.52 2i1s s LEU 13 CO 0.01 0.06 -0.10 -0.44 0.23 0.00 0.00 176.35 176.11 2i1s s SER 14 N 0.94 2.20 0.05 2.29 0.01 -0.05 -1.47 113.70 117.68 2i1s s SER 14 Ca -0.02 -0.34 -0.31 0.00 1.31 0.00 0.00 55.95 56.59 2i1s s SER 14 Cb -0.15 -0.91 -0.08 0.00 0.21 0.00 0.00 66.02 65.09 2i1s s SER 14 CO -0.01 -0.07 1.61 -0.63 0.41 0.00 0.00 173.24 174.54 2i1s s ILE 15 N 1.40 3.20 0.09 1.44 -1.09 -0.71 -0.88 121.20 124.65 2i1s s ILE 15 Ca 0.00 0.62 -0.27 0.00 -2.23 0.00 0.00 60.65 58.77 2i1s s ILE 15 Cb -0.13 -3.40 -0.06 0.00 -1.58 0.00 0.00 42.46 37.29 2i1s s ILE 15 CO -0.06 -0.01 0.84 -0.75 -1.23 0.00 0.00 174.94 173.74 2i1s s LYS 16 N 2.68 4.59 0.00 2.79 2.20 0.64 -4.11 119.74 128.53 2i1s s LYS 16 Ca 0.72 1.23 0.00 0.00 -0.36 0.00 0.00 55.97 57.55 2i1s s LYS 16 Cb -0.38 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 2i1s s LYS 16 CO 0.31 0.32 0.00 0.41 -0.36 0.00 0.00 175.35 176.03 2i1s n GLY 17 N 2.17 0.21 3.51 5.54 0.00 -1.26 -4.71 105.19 110.65 2i1s n GLY 17 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.02 3.77 0.03 -0.61 1.01 -1.26 -5.00 121.20 117.13 2i1s s ILE 18 Ca 0.00 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.30 2i1s s ILE 18 Cb 0.00 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 2i1s s ILE 18 CO 0.00 0.53 -0.19 0.42 0.00 0.00 0.00 174.94 175.69 2i1s s THR 19 N 0.04 1.53 1.10 2.92 -4.23 -1.26 -3.93 115.64 111.81 2i1s s THR 19 Ca -0.00 -1.05 -0.13 0.00 -1.18 0.00 0.00 61.69 59.32 2i1s s THR 19 Cb -0.14 -1.32 0.22 0.00 1.34 0.00 0.00 72.50 72.60 2i1s s THR 19 CO 0.03 0.24 0.90 -0.81 -0.54 0.00 0.00 174.62 174.43 2i1s n PRO 20 N 2.08 -1.78 -2.43 3.99 -0.04 -1.26 -5.07 135.00 130.49 2i1s n PRO 20 Ca -0.17 -0.48 -0.41 0.00 -0.04 0.00 0.00 63.50 62.41 2i1s n PRO 20 Cb 0.54 -2.15 -0.04 0.00 -0.04 0.00 0.00 33.50 31.81 2i1s n PRO 20 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2i1s s GLN 21 N -4.30 4.57 -0.26 0.54 0.74 -1.25 -5.02 119.66 114.67 2i1s s GLN 21 Ca 0.66 1.84 -0.13 0.00 0.05 0.00 0.00 55.36 57.78 2i1s s GLN 21 Cb -0.23 -3.22 -0.04 0.00 1.10 0.00 0.00 33.01 30.62 2i1s s GLN 21 CO 0.64 0.06 0.29 0.42 -0.55 0.00 0.00 175.29 176.15 2i1s s ILE 22 N -0.62 5.25 0.10 -2.34 1.01 -1.26 -4.70 121.20 118.64 2i1s s ILE 22 Ca 0.48 0.40 -0.13 0.00 0.00 0.00 0.00 60.65 61.41 2i1s s ILE 22 Cb -0.32 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.55 2i1s s ILE 22 CO 0.39 0.22 0.30 -1.66 0.00 0.00 0.00 174.94 174.19 2i1s s TRP 23 N 1.76 -0.03 0.02 3.97 1.48 -1.02 -1.74 118.94 123.37 2i1s s TRP 23 Ca 0.12 -0.33 0.01 0.00 -1.06 0.00 0.00 56.10 54.84 2i1s s TRP 23 Cb -0.15 0.10 -0.02 0.00 -1.16 0.00 0.00 33.47 32.24 2i1s s TRP 23 CO 0.09 -0.62 -0.04 1.03 -4.06 0.00 0.00 176.95 173.35 2i1s s ARG 24 N -3.76 0.35 -0.14 3.25 1.81 -0.54 -0.85 118.95 119.06 2i1s s ARG 24 Ca 0.03 -0.59 0.01 0.00 -1.72 0.00 0.00 55.73 53.47 2i1s s ARG 24 Cb 0.03 -0.02 -0.00 0.00 -0.45 0.00 0.00 34.95 34.51 2i1s s ARG 24 CO -0.11 -0.01 -0.16 1.03 -0.68 0.00 0.00 175.30 175.36 2i1s s ARG 25 N -1.33 3.21 0.11 3.54 0.52 -0.59 -0.85 118.95 123.56 2i1s s ARG 25 Ca -0.13 -0.76 0.06 0.00 -0.52 0.00 0.00 55.73 54.39 2i1s s ARG 25 Cb -0.09 -2.57 -0.04 0.00 0.52 0.00 0.00 34.95 32.77 2i1s s ARG 25 CO -0.01 0.07 -0.16 0.96 0.02 0.00 0.00 175.30 176.19 2i1s s ILE 26 N 0.67 1.39 -0.18 1.52 -4.36 -0.66 -1.43 121.20 118.15 2i1s s ILE 26 Ca -0.08 -1.59 -0.05 0.00 -0.26 0.00 0.00 60.65 58.68 2i1s s ILE 26 Cb -0.16 -1.44 -0.03 0.00 1.25 0.00 0.00 42.46 42.09 2i1s s ILE 26 CO 0.02 -0.28 -0.01 -1.10 0.24 0.00 0.00 174.94 173.80 2i1s s GLN 27 N -2.27 3.66 0.13 0.37 -0.21 -0.28 -0.58 119.66 120.48 2i1s s GLN 27 Ca 0.06 -0.51 0.08 0.00 0.02 0.00 0.00 55.36 55.01 2i1s s GLN 27 Cb -0.07 -3.01 -0.04 0.00 1.00 0.00 0.00 33.01 30.89 2i1s s GLN 27 CO 0.03 0.13 -0.20 0.14 -2.12 0.00 0.00 175.29 173.28 2i1s s VAL 28 N 0.67 1.76 0.34 1.09 -7.23 -0.67 -2.31 120.40 114.06 2i1s s VAL 28 Ca -0.01 -1.72 -0.27 0.00 -1.81 0.00 0.00 61.98 58.16 2i1s s VAL 28 Cb -0.14 -1.70 -0.13 0.00 0.56 0.00 0.00 36.38 34.98 2i1s s VAL 28 CO 0.02 -0.18 1.15 -2.65 -0.31 0.00 0.00 175.10 173.13 2i1s n PRO 29 N 0.70 1.73 0.20 4.82 -0.02 -1.26 -0.52 135.00 140.66 2i1s n PRO 29 Ca -0.16 0.61 0.10 0.00 -2.02 0.00 0.00 63.50 62.02 2i1s n PRO 29 Cb 0.55 -2.12 0.64 0.00 -0.02 0.00 0.00 33.50 32.55 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 2.18 0.02 -0.63 -0.52 4.11 -1.55 -2.50 114.58 115.69 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 1.31 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2i1s h GLU 30 CO 0.61 0.01 0.00 0.27 0.07 0.00 0.00 179.01 179.97 2i1s n ASN 31 N -4.51 3.74 -4.71 3.06 6.94 -1.26 -3.32 115.26 115.20 2i1s n ASN 31 Ca -0.01 -2.38 -0.40 0.00 -0.02 0.00 0.00 54.58 51.78 2i1s n ASN 31 Cb 0.18 -0.52 0.03 0.00 -2.36 0.00 0.00 39.78 37.11 2i1s n ASN 31 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2i1s n TYR 32 N 0.71 2.10 -2.38 -2.53 4.02 -0.94 -4.79 117.16 113.35 2i1s n TYR 32 Ca 0.19 0.47 -0.24 0.00 -0.01 0.00 0.00 57.90 58.31 2i1s n TYR 32 Cb 0.72 -2.36 0.07 0.00 -0.02 0.00 0.00 39.34 37.75 2i1s n TYR 32 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2i1s s THR 33 N -1.26 2.38 0.41 -0.72 -4.23 -1.26 -0.36 115.64 110.60 2i1s s THR 33 Ca 0.66 -0.43 0.12 0.00 -1.18 0.00 0.00 61.69 60.86 2i1s s THR 33 Cb -0.46 -2.96 0.16 0.00 1.34 0.00 0.00 72.50 70.58 2i1s s THR 33 CO 0.54 0.00 1.94 -0.26 -0.54 0.00 0.00 174.62 176.30 2i1s h PHE 34 N -0.40 0.13 0.13 3.99 0.04 -1.06 -1.99 116.94 117.77 2i1s h PHE 34 Ca -0.43 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.32 2i1s h PHE 34 Cb 1.30 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.42 2i1s h PHE 34 CO 0.24 0.30 -0.06 1.25 -0.60 0.00 0.00 178.31 179.43 2i1s h LEU 35 N 0.12 -0.15 -0.85 1.54 5.85 -1.75 0.22 115.31 120.28 2i1s h LEU 35 Ca 0.02 -0.19 0.21 0.00 0.84 0.00 0.00 57.88 58.76 2i1s h LEU 35 Cb 0.38 0.04 -0.15 0.00 0.37 0.00 0.00 40.66 41.30 2i1s h LEU 35 CO 0.03 0.11 0.02 0.44 -0.34 0.00 0.00 178.44 178.69 2i1s h ASP 36 N -0.42 -0.38 -0.23 1.25 3.32 -1.84 -1.25 116.42 116.87 2i1s h ASP 36 Ca -0.02 0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 2i1s h ASP 36 Cb 0.34 0.39 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2i1s h ASP 36 CO 0.03 -0.23 0.01 0.25 -1.72 0.00 0.00 179.24 177.58 2i1s h LEU 37 N 0.08 0.39 -0.75 1.55 5.85 -0.99 -2.08 115.31 119.37 2i1s h LEU 37 Ca 0.48 -0.30 0.13 0.00 0.84 0.00 0.00 57.88 59.04 2i1s h LEU 37 Cb 0.90 -0.10 -0.14 0.00 0.37 0.00 0.00 40.66 41.69 2i1s h LEU 37 CO -0.75 0.59 -0.32 -0.74 -0.34 0.00 0.00 178.44 176.87 2i1s h HIS 38 N 0.18 -0.86 -0.63 1.25 -0.00 0.01 -0.17 115.15 114.92 2i1s h HIS 38 Ca 0.07 0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.51 2i1s h HIS 38 Cb 0.38 0.49 -0.03 0.00 -0.00 0.00 0.00 27.41 28.25 2i1s h HIS 38 CO 0.03 -0.38 0.36 0.87 -0.00 0.00 0.00 177.93 178.81 2i1s h LYS 39 N -0.08 0.86 -0.37 5.26 1.57 -1.13 -1.14 116.57 121.54 2i1s h LYS 39 Ca 0.30 -0.08 -0.17 0.00 -1.87 0.00 0.00 60.65 58.83 2i1s h LYS 39 Cb 0.57 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 2i1s h LYS 39 CO -0.80 0.62 -0.42 0.00 -0.57 0.00 0.00 179.45 178.28 2i1s h ALA 40 N 1.53 0.55 -0.20 3.86 0.00 -0.53 -2.52 119.26 121.95 2i1s h ALA 40 Ca 0.22 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2i1s h ALA 40 Cb -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2i1s h ALA 40 CO -0.04 0.68 0.13 0.82 0.00 0.00 0.00 179.25 180.83 2i1s h ILE 41 N 0.75 1.07 -0.70 0.00 2.04 -0.66 -2.36 117.51 117.66 2i1s h ILE 41 Ca 0.05 -0.16 0.13 0.00 1.00 0.00 0.00 64.86 65.89 2i1s h ILE 41 Cb 1.02 0.82 -0.09 0.00 -0.74 0.00 0.00 36.82 37.82 2i1s h ILE 41 CO 0.10 0.07 0.24 1.56 0.00 0.00 0.00 178.15 180.12 2i1s h GLN 42 N 0.25 0.37 -0.17 2.37 1.08 -1.19 -1.49 115.11 116.34 2i1s h GLN 42 Ca 0.07 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.19 2i1s h GLN 42 Cb 0.00 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.34 2i1s h GLN 42 CO -0.01 0.25 -0.12 0.00 -0.95 0.00 0.00 178.83 178.00 2i1s h ALA 43 N 1.52 0.24 -0.09 3.87 0.00 -1.30 0.27 119.26 123.78 2i1s h ALA 43 Ca 0.38 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2i1s h ALA 43 Cb 0.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2i1s h ALA 43 CO -0.40 0.09 -0.36 -0.39 0.00 0.00 0.00 179.25 178.19 2i1s h VAL 44 N 0.04 1.28 -0.00 0.00 -1.51 -1.30 -2.43 116.25 112.32 2i1s h VAL 44 Ca 0.03 -1.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.15 2i1s h VAL 44 Cb 0.62 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 2i1s h VAL 44 CO 0.03 0.40 -0.03 0.23 -1.23 0.00 0.00 177.57 176.98 2i1s n MET 45 N -4.08 0.85 -3.20 5.19 2.00 -0.57 -4.89 117.12 112.42 2i1s n MET 45 Ca -0.01 -0.16 -0.23 0.00 0.00 0.00 0.00 57.70 57.30 2i1s n MET 45 Cb 0.43 -1.50 0.02 0.00 0.00 0.00 0.00 33.22 32.18 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 -0.94 -5.29 -4.94 7.83 2.03 -0.51 -4.69 116.55 110.05 2i1s n ASP 46 Ca 0.19 -0.35 -0.22 0.00 0.52 0.00 0.00 54.79 54.92 2i1s n ASP 46 Cb 0.21 -4.29 0.05 0.00 -0.72 0.00 0.00 41.12 36.37 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 -3.11 2.77 -1.63 -0.67 0.51 0.84 -4.86 118.94 112.79 2i1s s TRP 47 Ca 0.37 0.07 0.14 0.00 -2.12 0.00 0.00 56.10 54.55 2i1s s TRP 47 Cb -0.18 -2.88 0.15 0.00 -0.81 0.00 0.00 33.47 29.75 2i1s s TRP 47 CO 0.45 -1.07 0.99 0.39 -0.51 0.00 0.00 176.95 177.20 2i1s n GLU 48 N -2.52 1.17 -3.83 4.98 -0.58 -1.26 -4.71 120.64 113.89 2i1s n GLU 48 Ca 0.09 -1.44 -0.25 0.00 -0.42 0.00 0.00 57.16 55.14 2i1s n GLU 48 Cb 0.60 -1.27 0.02 0.00 -0.57 0.00 0.00 31.44 30.22 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 0.76 -2.26 0.15 1.62 2.03 -1.26 -4.89 116.55 112.70 2i1s n ASP 49 Ca 0.09 -0.84 0.12 0.00 0.52 0.00 0.00 54.79 54.68 2i1s n ASP 49 Cb 0.36 -3.80 0.17 0.00 -0.72 0.00 0.00 41.12 37.13 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 -1.92 0.00 -1.95 -0.67 0.05 -2.04 -3.48 116.97 106.95 2i1s h TYR 50 Ca -0.60 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 57.57 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 0.51 0.00 -0.51 -1.01 -1.05 0.00 0.00 178.16 176.10 2i1s s HIS 51 N -3.22 1.80 0.47 4.88 3.76 -1.26 -5.11 115.29 116.60 2i1s s HIS 51 Ca 0.06 -1.22 -0.20 0.00 -0.15 0.00 0.00 55.06 53.55 2i1s s HIS 51 Cb 0.09 -1.28 -0.09 0.00 1.11 0.00 0.00 32.58 32.40 2i1s s HIS 51 CO 0.69 -0.17 0.99 -0.51 -0.85 0.00 0.00 174.74 174.90 2i1s s LEU 52 N -3.70 3.85 0.06 0.89 1.43 -1.26 -4.81 118.68 115.15 2i1s s LEU 52 Ca 0.17 1.78 0.01 0.00 -1.03 0.00 0.00 54.13 55.07 2i1s s LEU 52 Cb 0.02 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.66 2i1s s LEU 52 CO 0.11 -0.59 -0.06 -1.38 0.23 0.00 0.00 176.35 174.66 2i1s s HIS 53 N -2.15 0.67 0.09 0.29 -3.43 -1.26 -1.18 115.29 108.32 2i1s s HIS 53 Ca 0.64 -0.78 -0.10 0.00 -0.80 0.00 0.00 55.06 54.02 2i1s s HIS 53 Cb -0.12 -0.41 0.01 0.00 -1.43 0.00 0.00 32.58 30.62 2i1s s HIS 53 CO 0.18 -0.18 0.24 -1.83 -2.00 0.00 0.00 174.74 171.15 2i1s s GLU 54 N -2.90 0.87 -0.03 -0.38 -1.05 -0.19 -4.57 118.70 110.46 2i1s s GLU 54 Ca 0.01 -0.84 -0.01 0.00 -0.15 0.00 0.00 54.97 53.98 2i1s s GLU 54 Cb -0.01 0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 34.01 2i1s s GLU 54 CO -0.04 -0.29 0.06 -0.06 0.95 0.00 0.00 175.26 175.88 2i1s s PHE 55 N -3.62 3.25 -0.11 4.83 0.08 0.12 -0.61 117.98 121.92 2i1s s PHE 55 Ca 0.03 0.20 0.02 0.00 0.12 0.00 0.00 56.93 57.30 2i1s s PHE 55 Cb 0.03 -1.75 0.01 0.00 -0.57 0.00 0.00 43.02 40.75 2i1s s PHE 55 CO -0.10 0.53 -0.18 -2.00 -0.10 0.00 0.00 175.22 173.37 2i1s s GLU 56 N -1.50 2.54 0.08 0.44 2.12 0.22 0.20 118.70 122.81 2i1s s GLU 56 Ca 0.20 -0.68 -0.19 0.00 0.36 0.00 0.00 54.97 54.65 2i1s s GLU 56 Cb -0.12 -2.08 0.04 0.00 0.26 0.00 0.00 34.13 32.23 2i1s s GLU 56 CO 0.10 -0.01 0.46 0.00 -0.54 0.00 0.00 175.26 175.27 2i1s s MET 57 N 0.84 1.04 0.19 4.30 0.23 -0.73 -1.33 119.30 123.84 2i1s s MET 57 Ca -0.09 -0.44 -0.31 0.00 -1.03 0.00 0.00 55.69 53.82 2i1s s MET 57 Cb -0.15 0.47 -0.10 0.00 -1.53 0.00 0.00 34.83 33.51 2i1s s MET 57 CO -0.00 -0.39 1.48 0.08 -2.03 0.00 0.00 175.02 174.16 2i1s s VAL 58 N -3.01 2.78 -0.34 5.16 1.01 -1.26 0.10 120.40 124.84 2i1s s VAL 58 Ca -0.02 0.60 -0.28 0.00 0.00 0.00 0.00 61.98 62.28 2i1s s VAL 58 Cb 0.00 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 33.02 2i1s s VAL 58 CO -0.06 0.07 1.04 0.21 0.00 0.00 0.00 175.10 176.35 2i1s s ASN 59 N 0.81 6.85 0.61 3.32 3.84 0.29 -4.87 114.94 125.79 2i1s s ASN 59 Ca 0.64 0.90 0.34 0.00 0.21 0.00 0.00 52.86 54.95 2i1s s ASN 59 Cb -0.41 -2.52 2.01 0.00 -0.55 0.00 0.00 41.25 39.77 2i1s s ASN 59 CO 0.36 -0.89 2.29 -0.65 -2.79 0.00 0.00 177.10 175.42 2i1s h PRO 60 N 8.25 0.00 0.00 0.43 0.11 -1.80 0.66 132.00 139.65 2i1s h PRO 60 Ca -0.21 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.82 2i1s h PRO 60 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2i1s h PRO 60 CO 1.02 0.00 -0.34 0.87 -0.21 0.00 0.00 178.00 179.34 2i1s h LYS 61 N 0.00 0.00 0.00 1.05 1.57 -1.92 -3.36 116.57 113.91 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 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2i1s h LYS 61 CO -0.00 0.34 -0.69 0.25 -0.57 0.00 0.00 179.45 178.78 2i1s n THR 62 N -3.35 0.00 -0.88 -0.16 -2.24 -0.61 -5.00 114.28 102.04 2i1s n THR 62 Ca 0.01 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2i1s n THR 62 Cb 0.56 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 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 2.00 0.67 3.76 3.38 0.00 0.13 -5.01 105.19 110.11 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 -0.32 2.80 0.08 1.61 -1.94 -1.26 -4.85 119.30 115.42 2i1s s MET 64 Ca 0.00 -0.74 -0.31 0.00 -1.71 0.00 0.00 55.69 52.93 2i1s s MET 64 Cb 0.00 -2.67 -0.08 0.00 2.01 0.00 0.00 34.83 34.09 2i1s s MET 64 CO 0.00 0.55 1.53 -0.51 -0.01 0.00 0.00 175.02 176.58 2i1s s LEU 65 N -2.44 4.35 0.02 -0.03 1.43 -1.26 -0.54 118.68 120.22 2i1s s LEU 65 Ca 0.29 2.38 0.01 0.00 -1.03 0.00 0.00 54.13 55.78 2i1s s LEU 65 Cb -0.12 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 2i1s s LEU 65 CO 0.21 -0.79 0.08 -1.81 0.23 0.00 0.00 176.35 174.27 2i1s s ASP 66 N 1.83 5.64 -0.21 2.29 1.01 0.11 -4.89 116.67 122.45 2i1s s ASP 66 Ca 0.69 0.10 -0.11 0.00 0.71 0.00 0.00 52.55 53.94 2i1s s ASP 66 Cb -0.38 -1.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.91 2i1s s ASP 66 CO 0.30 0.24 0.17 -0.75 0.21 0.00 0.00 175.17 175.34 2i1s s LYS 67 N -1.96 4.16 -0.11 8.23 2.47 -1.26 -1.77 119.74 129.50 2i1s s LYS 67 Ca 0.25 -0.19 0.03 0.00 -1.56 0.00 0.00 55.97 54.51 2i1s s LYS 67 Cb -0.12 -3.46 0.01 0.00 -1.46 0.00 0.00 37.83 32.79 2i1s s LYS 67 CO 0.17 0.20 -0.21 0.42 0.16 0.00 0.00 175.35 176.09 2i1s s ILE 68 N 0.64 1.92 0.00 5.43 1.01 0.13 -0.26 121.20 130.07 2i1s s ILE 68 Ca 0.09 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.82 2i1s s ILE 68 Cb -0.12 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.67 2i1s s ILE 68 CO 0.01 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.09 2i1s n GLY 69 N 3.77 1.04 3.53 6.18 0.00 -0.29 -0.70 105.19 118.71 2i1s n GLY 69 Ca -0.20 -0.58 -0.47 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.31 -1.74 4.61 0.00 -1.26 -1.31 120.51 116.50 2i1s n ALA 70 Ca 0.00 0.43 -0.43 0.00 0.00 0.00 0.00 53.44 53.45 2i1s n ALA 70 Cb 0.00 -1.89 -0.03 0.00 0.00 0.00 0.00 19.45 17.53 2i1s n ALA 70 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2i1s s GLU 71 N -1.02 3.52 0.00 0.00 2.02 -1.26 -4.43 118.70 117.53 2i1s s GLU 71 Ca 0.66 2.07 0.00 0.00 0.02 0.00 0.00 54.97 57.71 2i1s s GLU 71 Cb -0.83 -4.25 0.00 0.00 0.10 0.00 0.00 34.13 29.15 2i1s s GLU 71 CO 0.57 -1.65 0.00 0.41 0.02 0.00 0.00 175.26 174.61 2i1s n GLY 72 N 5.23 1.45 0.00 -1.39 0.00 -1.26 -5.10 105.19 104.12 2i1s n GLY 72 Ca 0.25 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2i1s n GLY 72 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2i1s n ASP 73 N 0.00 0.00 0.00 1.61 3.85 -1.26 -5.14 116.55 115.61 2i1s n ASP 73 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 2i1s n ASP 73 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 2i1s n ASP 73 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 2i1s n ASP 74 N -0.01 1.95 0.00 -1.12 10.43 -1.26 -4.13 116.55 122.41 2i1s n ASP 74 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 2i1s n ASP 74 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 2i1s n ASP 74 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2i1s n GLY 79 N 0.00 3.40 0.00 0.44 0.00 -1.26 -4.49 105.19 103.28 2i1s n GLY 79 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2i1s n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i1s n GLY 80 N 0.00 0.85 3.73 -0.02 0.00 -1.26 -5.04 105.19 103.44 2i1s n GLY 80 Ca 0.00 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 2i1s n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2i1s s PRO 81 N 0.32 4.21 -0.22 1.61 0.04 -1.26 -5.01 135.00 134.69 2i1s s PRO 81 Ca 0.00 2.40 -0.05 0.00 0.04 0.00 0.00 61.00 63.39 2i1s s PRO 81 Cb 0.00 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.40 2i1s s PRO 81 CO 0.00 -0.58 -0.01 -1.17 0.04 0.00 0.00 177.00 175.28 2i1s s LEU 82 N 0.64 3.09 0.16 -3.56 2.96 -1.26 -4.39 118.68 116.34 2i1s s LEU 82 Ca 0.67 -0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 53.98 2i1s s LEU 82 Cb -0.44 -1.80 -0.07 0.00 0.50 0.00 0.00 46.19 44.38 2i1s s LEU 82 CO 0.36 0.00 1.02 -0.69 -1.32 0.00 0.00 176.35 175.72 2i1s s VAL 83 N 1.35 4.14 0.03 1.68 1.01 0.64 -4.82 120.40 124.42 2i1s s VAL 83 Ca 0.04 1.86 -0.30 0.00 0.00 0.00 0.00 61.98 63.58 2i1s s VAL 83 Cb -0.15 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 2i1s s VAL 83 CO -0.00 0.33 1.25 -0.55 0.00 0.00 0.00 175.10 176.12 2i1s s SER 84 N -0.25 7.02 0.53 3.32 0.15 -1.26 -1.14 113.70 122.07 2i1s s SER 84 Ca 0.47 2.01 0.31 0.00 0.70 0.00 0.00 55.95 59.44 2i1s s SER 84 Cb -0.27 -2.57 1.18 0.00 -1.71 0.00 0.00 66.02 62.65 2i1s s SER 84 CO 0.33 -0.55 1.92 1.05 1.20 0.00 0.00 173.24 177.18 2i1s h GLU 85 N 7.13 0.00 0.00 5.44 4.11 -1.51 -2.30 114.58 127.46 2i1s h GLU 85 Ca -0.39 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.94 2i1s h GLU 85 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2i1s h GLU 85 CO 0.85 0.02 -0.46 0.87 0.07 0.00 0.00 179.01 180.35 2i1s h LYS 86 N 0.00 0.00 0.00 1.06 1.57 -1.92 -2.54 116.57 114.75 2i1s h LYS 86 Ca -0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 2i1s h LYS 86 Cb 0.61 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 2i1s h LYS 86 CO 0.00 0.46 -2.06 1.63 -0.57 0.00 0.00 179.45 178.92 2i1s n LYS 87 N -3.50 0.67 -2.73 3.15 5.02 -1.09 -4.91 118.16 114.77 2i1s n LYS 87 Ca 0.00 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.90 2i1s n LYS 87 Cb 0.59 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 2i1s n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i1s s ALA 88 N -2.78 3.28 0.05 7.82 0.00 -0.88 -4.99 121.76 124.26 2i1s s ALA 88 Ca -0.08 0.43 -0.00 0.00 0.00 0.00 0.00 51.96 52.31 2i1s s ALA 88 Cb 0.08 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 2i1s s ALA 88 CO 0.84 -0.39 0.20 0.15 0.00 0.00 0.00 175.76 176.57 2i1s s LYS 89 N 1.44 3.43 0.41 0.00 1.02 -1.26 -1.66 119.74 123.12 2i1s s LYS 89 Ca 0.49 -0.43 0.11 0.00 0.02 0.00 0.00 55.97 56.16 2i1s s LYS 89 Cb -0.20 -3.04 0.92 0.00 -0.52 0.00 0.00 37.83 35.00 2i1s s LYS 89 CO 0.23 0.62 1.97 -0.07 -0.92 0.00 0.00 175.35 177.18 2i1s h LEU 90 N 3.18 0.47 -0.24 3.17 3.38 -0.90 -1.63 115.31 122.74 2i1s h LEU 90 Ca -0.46 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2i1s h LEU 90 Cb 1.16 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2i1s h LEU 90 CO 0.75 0.29 0.00 -1.54 0.09 0.00 0.00 178.44 178.03 2i1s n SER 91 N -4.48 0.10 0.04 -0.43 3.41 -1.21 -0.56 113.62 110.49 2i1s n SER 91 Ca 0.10 0.54 0.11 0.00 -0.26 0.00 0.00 58.87 59.37 2i1s n SER 91 Cb 0.32 -0.56 0.02 0.00 -0.26 0.00 0.00 64.21 63.73 2i1s n SER 91 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2i1s n ASP 92 N -1.63 0.61 0.01 4.04 8.00 -0.61 -4.68 116.55 122.28 2i1s n ASP 92 Ca 0.00 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.41 2i1s n ASP 92 Cb 0.03 0.75 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 2i1s n ASP 92 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2i1s n TYR 93 N -2.09 -0.01 -2.68 1.24 4.01 -0.87 -4.50 117.16 112.26 2i1s n TYR 93 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.33 2i1s n TYR 93 Cb 0.46 0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.49 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 -2.00 3.46 0.36 -0.72 0.40 0.27 -4.56 117.98 115.18 2i1s s PHE 94 Ca 0.00 1.55 0.03 0.00 -0.60 0.00 0.00 56.93 57.91 2i1s s PHE 94 Cb 0.00 -3.21 -0.04 0.00 0.51 0.00 0.00 43.02 40.27 2i1s s PHE 94 CO 0.00 -0.31 0.09 0.95 0.70 0.00 0.00 175.22 176.65 2i1s s THR 95 N 2.40 0.87 0.43 0.64 -4.23 -0.66 -4.69 115.64 110.41 2i1s s THR 95 Ca 0.47 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.21 2i1s s THR 95 Cb -0.17 -2.58 0.26 0.00 1.34 0.00 0.00 72.50 71.34 2i1s s THR 95 CO 0.14 0.00 2.05 -0.07 -0.54 0.00 0.00 174.62 176.20 2i1s h LEU 96 N 1.99 0.00 0.06 4.79 3.38 -1.95 -2.54 115.31 121.05 2i1s h LEU 96 Ca -0.38 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.41 2i1s h LEU 96 Cb 1.26 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.03 2i1s h LEU 96 CO 0.63 0.14 -0.73 -0.33 0.09 0.00 0.00 178.44 178.24 2i1s h GLU 97 N 0.00 0.38 -3.65 1.13 3.07 -1.98 -3.42 114.58 110.12 2i1s h GLU 97 Ca -0.00 -0.50 -0.75 0.00 -0.50 0.00 0.00 59.36 57.61 2i1s h GLU 97 Cb 0.32 0.16 -0.30 0.00 -0.84 0.00 0.00 28.75 28.09 2i1s h GLU 97 CO 0.02 1.18 -0.01 1.21 -1.40 0.00 0.00 179.01 180.01 2i1s s ASN 98 N -6.89 6.31 0.00 1.42 3.04 -0.96 -4.87 114.94 112.99 2i1s s ASN 98 Ca -0.13 -3.01 0.07 0.00 0.04 0.00 0.00 52.86 49.83 2i1s s ASN 98 Cb 0.03 -2.07 -0.00 0.00 -1.54 0.00 0.00 41.25 37.66 2i1s s ASN 98 CO 0.83 -0.42 0.51 2.29 -3.04 0.00 0.00 177.10 177.27 2i1s n LYS 99 N 3.43 2.37 -5.22 0.43 2.85 -1.23 -1.65 118.16 119.15 2i1s n LYS 99 Ca 0.15 -0.48 -0.31 0.00 -1.05 0.00 0.00 58.31 56.61 2i1s n LYS 99 Cb 0.42 -0.98 -0.16 0.00 -0.65 0.00 0.00 35.03 33.67 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 -1.09 2.25 0.16 -1.58 2.12 -1.26 -0.66 118.70 118.64 2i1s s GLU 100 Ca 0.06 -0.88 0.08 0.00 0.36 0.00 0.00 54.97 54.58 2i1s s GLU 100 Cb 0.05 -2.12 -0.04 0.00 0.26 0.00 0.00 34.13 32.28 2i1s s GLU 100 CO 0.18 0.54 -0.16 0.00 -0.54 0.00 0.00 175.26 175.28 2i1s s ALA 101 N -0.56 1.86 -0.22 6.30 0.00 -0.14 -4.61 121.76 124.39 2i1s s ALA 101 Ca 0.08 -1.47 -0.05 0.00 0.00 0.00 0.00 51.96 50.52 2i1s s ALA 101 Cb -0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 2i1s s ALA 101 CO -0.00 0.15 -0.01 -1.17 0.00 0.00 0.00 175.76 174.73 2i1s s LEU 102 N -2.76 3.10 -0.21 0.00 2.96 -0.44 -0.96 118.68 120.37 2i1s s LEU 102 Ca 0.15 -0.30 -0.10 0.00 -0.22 0.00 0.00 54.13 53.67 2i1s s LEU 102 Cb -0.04 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 2i1s s LEU 102 CO 0.06 0.01 0.14 -0.47 -1.32 0.00 0.00 176.35 174.76 2i1s s TYR 103 N 1.32 3.38 -0.16 5.38 5.04 0.02 -0.61 117.35 131.72 2i1s s TYR 103 Ca 0.04 0.30 -0.02 0.00 -2.44 0.00 0.00 57.07 54.95 2i1s s TYR 103 Cb -0.15 -2.19 -0.02 0.00 0.35 0.00 0.00 41.96 39.96 2i1s s TYR 103 CO -0.00 0.23 -0.08 0.99 -1.34 0.00 0.00 175.55 175.34 2i1s s THR 104 N 0.54 3.36 -0.07 4.34 2.01 0.22 0.18 115.64 126.21 2i1s s THR 104 Ca 0.08 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.56 2i1s s THR 104 Cb -0.12 -2.46 0.01 0.00 0.01 0.00 0.00 72.50 69.95 2i1s s THR 104 CO -0.00 0.49 -0.14 -0.47 -0.69 0.00 0.00 174.62 173.81 2i1s s TYR 105 N 0.62 1.63 -0.06 4.92 5.04 -0.44 -1.02 117.35 128.05 2i1s s TYR 105 Ca -0.05 -0.62 -0.02 0.00 -2.44 0.00 0.00 57.07 53.94 2i1s s TYR 105 Cb -0.15 -1.17 0.01 0.00 0.35 0.00 0.00 41.96 41.00 2i1s s TYR 105 CO 0.03 -0.30 0.05 -3.47 -1.34 0.00 0.00 175.55 170.51 2i1s n ASP 106 N 3.78 -2.19 0.00 4.32 -0.08 -0.32 -1.48 116.55 120.58 2i1s n ASP 106 Ca -0.22 0.36 0.10 0.00 -1.51 0.00 0.00 54.79 53.52 2i1s n ASP 106 Cb 0.52 -2.13 0.54 0.00 2.34 0.00 0.00 41.12 42.39 2i1s n ASP 106 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2i1s n PHE 107 N 0.36 0.00 -0.04 -0.67 3.72 -1.26 0.20 117.46 119.77 2i1s n PHE 107 Ca -0.08 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.30 2i1s n PHE 107 Cb 0.12 -0.19 -0.01 0.00 -0.94 0.00 0.00 39.48 38.46 2i1s n PHE 107 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2i1s h GLY 108 N 3.27 0.00 2.00 1.37 0.00 -1.97 -3.40 103.07 104.35 2i1s h GLY 108 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2i1s h GLY 108 CO 0.00 0.00 -0.19 -0.55 0.00 0.00 0.00 176.54 175.80 2i1s h ASP 109 N -0.55 0.00 -4.91 0.19 5.19 -1.88 -3.48 116.42 110.98 2i1s h ASP 109 Ca 0.00 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.13 2i1s h ASP 109 Cb 0.24 0.00 0.13 0.00 0.18 0.00 0.00 39.33 39.88 2i1s h ASP 109 CO 0.00 0.19 -0.59 -3.20 -3.12 0.00 0.00 179.24 172.52 2i1s n ASN 110 N -3.37 -3.21 -4.75 6.45 5.15 0.52 -4.10 115.26 111.94 2i1s n ASN 110 Ca 0.00 -0.48 -0.41 0.00 -0.60 0.00 0.00 54.58 53.09 2i1s n ASN 110 Cb 0.40 -4.19 -0.02 0.00 -0.53 0.00 0.00 39.78 35.44 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 -3.28 3.01 -0.08 1.20 0.52 -0.55 -4.90 118.94 114.88 2i1s s TRP 111 Ca 0.16 1.12 0.03 0.00 0.02 0.00 0.00 56.10 57.43 2i1s s TRP 111 Cb -0.07 -3.79 0.01 0.00 -1.15 0.00 0.00 33.47 28.47 2i1s s TRP 111 CO 0.59 -2.48 -0.15 -0.65 0.02 0.00 0.00 176.95 174.27 2i1s s GLN 112 N -0.74 2.02 -0.22 4.98 -0.21 -1.26 -1.32 119.66 122.91 2i1s s GLN 112 Ca 0.57 -0.52 -0.01 0.00 0.02 0.00 0.00 55.36 55.42 2i1s s GLN 112 Cb -0.41 -1.62 0.02 0.00 1.00 0.00 0.00 33.01 31.99 2i1s s GLN 112 CO 0.46 0.05 -0.11 0.08 -2.12 0.00 0.00 175.29 173.65 2i1s s VAL 113 N 0.62 2.58 -0.00 1.09 1.01 0.13 -0.26 120.40 125.57 2i1s s VAL 113 Ca -0.15 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 2i1s s VAL 113 Cb -0.16 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 2i1s s VAL 113 CO 0.05 0.33 1.08 -0.54 0.00 0.00 0.00 175.10 176.01 2i1s s LYS 114 N 1.31 4.47 -0.25 2.72 1.02 -0.06 -0.80 119.74 128.15 2i1s s LYS 114 Ca 0.02 1.56 -0.03 0.00 0.02 0.00 0.00 55.97 57.53 2i1s s LYS 114 Cb -0.15 -3.45 0.01 0.00 -0.52 0.00 0.00 37.83 33.72 2i1s s LYS 114 CO -0.07 -0.21 -0.04 0.08 -0.92 0.00 0.00 175.35 174.19 2i1s s VAL 115 N 1.33 3.16 -0.14 3.17 1.01 -0.13 -0.87 120.40 127.93 2i1s s VAL 115 Ca 0.54 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.71 2i1s s VAL 115 Cb -0.24 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.60 2i1s s VAL 115 CO 0.26 0.25 -0.19 -0.60 0.00 0.00 0.00 175.10 174.82 2i1s s ARG 116 N 1.39 2.77 -0.13 2.72 6.06 0.39 -0.97 118.95 131.18 2i1s s ARG 116 Ca 0.02 -0.76 -0.29 0.00 -2.50 0.00 0.00 55.73 52.20 2i1s s ARG 116 Cb -0.16 -2.31 -0.03 0.00 0.06 0.00 0.00 34.95 32.51 2i1s s ARG 116 CO -0.03 -0.09 1.43 -1.17 -2.50 0.00 0.00 175.30 172.94 2i1s s LEU 117 N 1.02 4.22 -0.22 -0.88 2.96 0.17 -0.60 118.68 125.35 2i1s s LEU 117 Ca -0.03 1.89 0.05 0.00 -0.22 0.00 0.00 54.13 55.82 2i1s s LEU 117 Cb -0.15 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.84 2i1s s LEU 117 CO -0.05 -0.86 -0.14 -0.62 -1.32 0.00 0.00 176.35 173.37 2i1s n GLU 118 N 6.88 0.70 -3.82 1.98 1.02 0.77 -4.92 120.64 123.25 2i1s n GLU 118 Ca 0.15 0.10 -0.12 0.00 -0.02 0.00 0.00 57.16 57.27 2i1s n GLU 118 Cb 0.44 -1.46 -0.10 0.00 -0.02 0.00 0.00 31.44 30.30 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 -2.45 0.44 -0.23 3.49 1.02 -1.20 -5.01 119.74 115.79 2i1s s LYS 119 Ca -0.25 -0.11 -0.03 0.00 0.02 0.00 0.00 55.97 55.60 2i1s s LYS 119 Cb 0.07 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.57 2i1s s LYS 119 CO 0.59 -0.10 -0.05 0.42 -0.92 0.00 0.00 175.35 175.29 2i1s s ILE 120 N -0.83 3.23 0.11 2.17 1.01 -1.26 -0.49 121.20 125.13 2i1s s ILE 120 Ca -0.09 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 59.96 2i1s s ILE 120 Cb -0.05 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 2i1s s ILE 120 CO 0.02 0.37 -0.09 -0.76 0.00 0.00 0.00 174.94 174.47 2i1s s LEU 121 N 1.44 2.45 0.35 2.97 1.43 -0.26 -4.99 118.68 122.08 2i1s s LEU 121 Ca 0.05 -0.88 -0.29 0.00 -1.03 0.00 0.00 54.13 51.97 2i1s s LEU 121 Cb -0.15 -0.26 -0.11 0.00 0.03 0.00 0.00 46.19 45.70 2i1s s LEU 121 CO -0.04 -0.32 1.51 -2.16 0.23 0.00 0.00 176.35 175.58 2i1s s PRO 122 N -3.16 4.12 0.35 1.29 0.04 -1.26 -0.27 135.00 136.10 2i1s s PRO 122 Ca 0.09 2.56 -0.29 0.00 0.04 0.00 0.00 61.00 63.40 2i1s s PRO 122 Cb -0.00 -2.99 -0.12 0.00 0.04 0.00 0.00 34.50 31.43 2i1s s PRO 122 CO -0.01 -0.55 1.46 -2.13 0.04 0.00 0.00 177.00 175.81 2i1s n ARG 123 N 0.95 2.53 -3.54 4.56 0.63 0.60 -4.60 116.66 117.80 2i1s n ARG 123 Ca 0.03 0.89 -0.38 0.00 -0.92 0.00 0.00 57.85 57.47 2i1s n ARG 123 Cb 0.39 -2.59 -0.06 0.00 0.45 0.00 0.00 32.46 30.64 2i1s n ARG 123 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2i1s s LYS 124 N -1.69 3.95 0.26 -0.14 2.20 -1.26 -4.98 119.74 118.07 2i1s s LYS 124 Ca 0.56 0.30 -0.30 0.00 -0.36 0.00 0.00 55.97 56.17 2i1s s LYS 124 Cb -0.51 -3.27 -0.09 0.00 -1.51 0.00 0.00 37.83 32.45 2i1s s LYS 124 CO 0.60 0.58 1.20 -2.00 -0.36 0.00 0.00 175.35 175.37 2i1s s GLU 125 N -0.66 4.51 0.00 4.03 2.12 -1.26 -3.04 118.70 124.40 2i1s s GLU 125 Ca 0.22 1.94 0.00 0.00 0.36 0.00 0.00 54.97 57.49 2i1s s GLU 125 Cb -0.15 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.06 2i1s s GLU 125 CO 0.10 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 2i1s n GLY 126 N 1.51 2.18 3.77 -1.50 0.00 -1.26 -5.02 105.19 104.87 2i1s n GLY 126 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.20 4.97 -0.40 1.61 1.01 -1.17 -5.05 120.40 118.17 2i1s s VAL 127 Ca 0.00 1.10 -0.17 0.00 0.00 0.00 0.00 61.98 62.92 2i1s s VAL 127 Cb 0.00 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.53 2i1s s VAL 127 CO 0.00 0.44 0.42 -0.70 0.00 0.00 0.00 175.10 175.26 2i1s s GLU 128 N -0.26 3.21 0.35 2.72 2.56 -1.26 -4.92 118.70 121.10 2i1s s GLU 128 Ca 0.28 -0.67 -0.01 0.00 0.00 0.00 0.00 54.97 54.56 2i1s s GLU 128 Cb -0.17 -3.93 -0.04 0.00 2.00 0.00 0.00 34.13 31.99 2i1s s GLU 128 CO 0.15 -0.77 0.58 0.71 -0.56 0.00 0.00 175.26 175.37 2i1s s TYR 129 N 2.10 3.50 0.75 5.30 2.02 -1.26 -4.37 117.35 125.40 2i1s s TYR 129 Ca 0.12 0.47 -0.11 0.00 -0.37 0.00 0.00 57.07 57.18 2i1s s TYR 129 Cb -0.17 -1.99 0.05 0.00 -0.40 0.00 0.00 41.96 39.44 2i1s s TYR 129 CO 0.13 0.08 1.09 -2.14 -1.57 0.00 0.00 175.55 173.14 2i1s s PRO 130 N -4.20 2.38 0.08 -1.71 0.02 -1.26 -4.98 135.00 125.32 2i1s s PRO 130 Ca 0.42 1.18 0.07 0.00 0.02 0.00 0.00 61.00 62.69 2i1s s PRO 130 Cb -0.10 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 2i1s s PRO 130 CO 0.36 -1.55 -0.19 0.96 -0.33 0.00 0.00 177.00 176.25 2i1s s ILE 131 N -2.84 1.53 -0.29 2.83 -4.36 -0.98 -4.92 121.20 112.17 2i1s s ILE 131 Ca 0.62 -1.36 -0.06 0.00 -0.26 0.00 0.00 60.65 59.59 2i1s s ILE 131 Cb -0.17 -1.38 0.01 0.00 1.25 0.00 0.00 42.46 42.17 2i1s s ILE 131 CO 0.54 -0.02 0.06 0.00 0.24 0.00 0.00 174.94 175.76 2i1s n THR 133 N 4.84 0.81 -3.61 0.00 -2.24 -0.51 -4.78 114.28 108.79 2i1s n THR 133 Ca -0.15 -0.60 -0.07 0.00 -2.27 0.00 0.00 64.05 60.96 2i1s n THR 133 Cb 0.48 -0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 68.22 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 -3.20 -1.67 0.00 6.98 0.00 -1.24 -4.96 121.76 117.67 2i1s s ALA 134 Ca -0.02 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2i1s s ALA 134 Cb 0.09 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.83 2i1s s ALA 134 CO 0.80 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 176.12 2i1s n GLY 135 N -0.36 0.80 3.33 0.00 0.00 -1.26 -1.54 105.19 106.16 2i1s n GLY 135 Ca -0.09 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 2i1s n GLY 135 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i1s s LYS 136 N -2.00 1.03 0.08 1.61 -2.85 -0.03 -4.95 119.74 112.62 2i1s s LYS 136 Ca 0.00 -0.51 0.00 0.00 -1.00 0.00 0.00 55.97 54.46 2i1s s LYS 136 Cb 0.00 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 36.23 2i1s s LYS 136 CO 0.00 -0.38 0.00 0.54 0.10 0.00 0.00 175.35 175.61 2i1s n ARG 137 N 0.10 -0.64 -1.84 1.78 1.74 -1.25 -2.44 116.66 114.11 2i1s n ARG 137 Ca -0.17 0.48 -0.41 0.00 -0.77 0.00 0.00 57.85 56.98 2i1s n ARG 137 Cb 0.62 -0.55 -0.00 0.00 -1.02 0.00 0.00 32.46 31.51 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 -2.51 3.51 0.68 7.54 0.00 -0.08 -4.57 121.76 126.33 2i1s s ALA 138 Ca 0.00 1.52 -0.15 0.00 0.00 0.00 0.00 51.96 53.33 2i1s s ALA 138 Cb 0.00 -3.59 0.01 0.00 0.00 0.00 0.00 23.12 19.54 2i1s s ALA 138 CO 0.00 -1.04 1.16 0.00 0.00 0.00 0.00 175.76 175.88 2i1s s ALA 139 N -1.14 2.33 0.20 0.00 0.00 -1.26 -4.92 121.76 116.97 2i1s s ALA 139 Ca 0.54 0.74 -0.32 0.00 0.00 0.00 0.00 51.96 52.92 2i1s s ALA 139 Cb -0.45 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.15 2i1s s ALA 139 CO 0.61 -1.51 1.74 1.33 0.00 0.00 0.00 175.76 177.92 2i1s n VAL 140 N -2.44 0.03 -1.78 0.00 0.24 -1.26 -4.96 118.33 108.15 2i1s n VAL 140 Ca 0.12 -0.01 -0.38 0.00 -2.04 0.00 0.00 64.34 62.03 2i1s n VAL 140 Cb 0.51 -2.00 0.04 0.00 -1.47 0.00 0.00 33.84 30.92 2i1s n VAL 140 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 2i1s s PRO 141 N 1.30 3.05 0.07 7.34 0.02 -1.26 -4.94 135.00 140.59 2i1s s PRO 141 Ca 0.76 2.20 -0.37 0.00 0.02 0.00 0.00 61.00 63.61 2i1s s PRO 141 Cb -0.50 -2.19 -0.18 0.00 0.02 0.00 0.00 34.50 31.65 2i1s s PRO 141 CO 0.32 -1.25 1.12 0.39 -0.33 0.00 0.00 177.00 177.26 2i1s n GLU 142 N -1.17 0.54 -1.03 5.54 -0.58 -1.26 -2.91 120.64 119.77 2i1s n GLU 142 Ca 0.11 0.20 -0.01 0.00 -0.42 0.00 0.00 57.16 57.04 2i1s n GLU 142 Cb 0.46 -1.69 -0.00 0.00 -0.57 0.00 0.00 31.44 29.63 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 1.94 -3.88 0.00 1.62 8.00 -1.26 -4.87 116.55 118.10 2i1s n ASP 143 Ca 0.18 0.03 0.03 0.00 0.71 0.00 0.00 54.79 55.74 2i1s n ASP 143 Cb 0.16 -1.48 0.17 0.00 -0.02 0.00 0.00 41.12 39.94 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 -0.07 0.00 -0.12 -2.24 3.41 -1.15 -4.84 113.62 108.62 2i1s n SER 144 Ca -0.01 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 2i1s n SER 144 Cb 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 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 0.14 0.84 3.71 5.00 0.00 -1.26 -2.83 105.19 110.79 2i1s n GLY 145 Ca 0.04 -0.62 0.03 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.81 -1.94 0.12 -0.02 0.00 -1.26 -1.60 105.19 99.69 2i1s n GLY 146 Ca 0.00 -1.35 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.22 0.99 -0.64 1.61 -1.51 -1.91 -0.83 116.25 113.74 2i1s h VAL 147 Ca 0.00 -0.09 -0.01 0.00 -1.23 0.00 0.00 66.70 65.37 2i1s h VAL 147 Cb 0.22 0.70 -0.03 0.00 -2.13 0.00 0.00 31.29 30.05 2i1s h VAL 147 CO 0.00 0.05 0.34 -0.50 -1.23 0.00 0.00 177.57 176.23 2i1s h TRP 148 N 0.26 0.88 -0.09 5.19 -0.00 -1.95 0.83 115.95 121.07 2i1s h TRP 148 Ca 0.10 -0.02 0.01 0.00 -0.00 0.00 0.00 58.89 58.98 2i1s h TRP 148 Cb 0.03 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 28.90 2i1s h TRP 148 CO -0.10 0.63 0.03 0.78 -0.00 0.00 0.00 178.44 179.78 2i1s h GLY 149 N 0.87 0.10 1.08 1.49 0.00 -0.97 0.95 103.07 106.59 2i1s h GLY 149 Ca 0.22 -0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.43 2i1s h GLY 149 CO -0.04 0.01 -0.05 -1.82 0.00 0.00 0.00 176.54 174.64 2i1s h TYR 150 N 0.07 1.15 -0.56 5.60 3.20 -0.99 -2.32 116.97 123.11 2i1s h TYR 150 Ca 0.04 -0.22 -0.05 0.00 3.14 0.00 0.00 58.73 61.64 2i1s h TYR 150 Cb 0.02 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 2i1s h TYR 150 CO -0.10 1.04 0.16 1.49 -1.64 0.00 0.00 178.16 179.11 2i1s h GLU 151 N 0.93 0.89 0.30 1.82 4.57 -0.70 -0.95 114.58 121.43 2i1s h GLU 151 Ca 0.15 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2i1s h GLU 151 Cb 0.62 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.06 2i1s h GLU 151 CO 0.04 0.81 -0.38 0.93 -1.18 0.00 0.00 179.01 179.23 2i1s h GLU 152 N 0.80 -0.71 -0.93 1.92 5.08 -0.79 -1.92 114.58 118.02 2i1s h GLU 152 Ca 0.18 0.05 0.18 0.00 -1.00 0.00 0.00 59.36 58.76 2i1s h GLU 152 Cb 0.31 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.64 2i1s h GLU 152 CO -0.00 -0.47 0.60 0.52 -1.00 0.00 0.00 179.01 178.65 2i1s h MET 153 N -0.73 0.61 -0.13 2.33 2.86 -1.27 -1.74 114.93 116.86 2i1s h MET 153 Ca -0.01 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.43 2i1s h MET 153 Cb 0.68 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 2i1s h MET 153 CO -0.11 0.40 -0.58 -0.07 1.06 0.00 0.00 176.91 177.61 2i1s h LEU 154 N 0.63 0.48 -3.82 1.22 3.38 -0.87 -3.05 115.31 113.29 2i1s h LEU 154 Ca 0.49 -0.26 -0.56 0.00 0.09 0.00 0.00 57.88 57.64 2i1s h LEU 154 Cb 0.92 -0.14 -0.32 0.00 0.09 0.00 0.00 40.66 41.21 2i1s h LEU 154 CO -0.24 0.95 0.06 -1.84 0.09 0.00 0.00 178.44 177.45 2i1s n GLU 155 N -3.92 2.94 -0.07 1.13 0.28 -0.75 -3.22 120.64 117.03 2i1s n GLU 155 Ca -0.03 -3.62 -0.04 0.00 -0.16 0.00 0.00 57.16 53.30 2i1s n GLU 155 Cb 0.61 -2.22 -0.14 0.00 1.43 0.00 0.00 31.44 31.12 2i1s n GLU 155 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 2i1s n VAL 156 N -0.87 0.92 0.31 3.84 0.24 -0.71 -4.66 118.33 117.39 2i1s n VAL 156 Ca 0.51 -0.66 0.10 0.00 -2.04 0.00 0.00 64.34 62.25 2i1s n VAL 156 Cb 0.88 -0.40 0.46 0.00 -1.47 0.00 0.00 33.84 33.31 2i1s n VAL 156 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2i1s n LEU 157 N -2.53 0.51 0.03 1.34 4.77 -1.20 -4.26 117.00 115.65 2i1s n LEU 157 Ca -0.23 0.66 0.03 0.00 -0.03 0.00 0.00 56.01 56.45 2i1s n LEU 157 Cb 0.93 -0.64 0.16 0.00 -2.33 0.00 0.00 43.42 41.55 2i1s n LEU 157 CO 0.37 -0.63 0.61 0.29 -1.33 0.00 0.00 177.39 176.69 2i1s n LYS 158 N -2.10 0.03 -2.33 3.23 4.76 -1.25 -5.04 118.16 115.45 2i1s n LYS 158 Ca 0.01 0.46 -0.35 0.00 -2.87 0.00 0.00 58.31 55.56 2i1s n LYS 158 Cb 0.15 -1.57 -0.04 0.00 -1.84 0.00 0.00 35.03 31.73 2i1s n LYS 158 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2i1s s GLU 161 N -3.08 3.12 1.46 1.97 2.56 -1.26 -5.12 118.70 118.36 2i1s s GLU 161 Ca 0.01 -0.77 -0.24 0.00 0.00 0.00 0.00 54.97 53.97 2i1s s GLU 161 Cb 0.03 -5.23 0.38 0.00 2.00 0.00 0.00 34.13 31.31 2i1s s GLU 161 CO 0.10 -2.75 0.91 -1.58 -0.56 0.00 0.00 175.26 171.38 2i1s s HIS 162 N 7.31 -0.94 -0.08 5.30 5.65 -1.26 -4.95 115.29 126.32 2i1s s HIS 162 Ca 0.57 0.50 0.14 0.00 0.25 0.00 0.00 55.06 56.52 2i1s s HIS 162 Cb -0.03 -2.86 -0.09 0.00 -1.18 0.00 0.00 32.58 28.42 2i1s s HIS 162 CO -0.05 -5.17 1.11 1.05 -0.65 0.00 0.00 174.74 171.03 2i1s h GLU 163 N -3.56 0.00 -0.03 2.88 4.11 -2.03 -3.25 114.58 112.71 2i1s h GLU 163 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 2i1s h GLU 163 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2i1s h GLU 163 CO 0.25 0.53 0.00 0.39 0.07 0.00 0.00 179.01 180.25 2i1s n GLU 164 N -3.12 1.56 0.10 1.06 1.02 -1.26 -4.58 120.64 115.43 2i1s n GLU 164 Ca -0.05 -0.81 -0.13 0.00 -0.02 0.00 0.00 57.16 56.15 2i1s n GLU 164 Cb 0.85 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 30.73 2i1s n GLU 164 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2i1s h TYR 165 N 1.93 -1.00 -0.43 -0.32 5.03 -1.85 -2.73 116.97 117.61 2i1s h TYR 165 Ca 0.00 0.03 0.11 0.00 2.58 0.00 0.00 58.73 61.44 2i1s h TYR 165 Cb 0.41 0.43 -0.02 0.00 1.55 0.00 0.00 36.73 39.10 2i1s h TYR 165 CO 0.01 -0.46 0.30 0.93 -1.32 0.00 0.00 178.16 177.62 2i1s h GLU 166 N -0.58 0.08 0.05 1.82 5.08 -1.84 -3.12 114.58 116.08 2i1s h GLU 166 Ca 0.03 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 2i1s h GLU 166 Cb 0.62 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2i1s h GLU 166 CO -0.23 0.05 -0.53 -0.44 -1.00 0.00 0.00 179.01 176.87 2i1s h ASP 167 N 0.08 0.18 -0.81 1.42 5.19 -1.83 -3.00 116.42 117.66 2i1s h ASP 167 Ca 0.20 -0.92 0.18 0.00 -0.62 0.00 0.00 57.03 55.88 2i1s h ASP 167 Cb 0.69 -0.06 -0.15 0.00 0.18 0.00 0.00 39.33 40.00 2i1s h ASP 167 CO -0.02 1.24 -0.07 0.74 -3.12 0.00 0.00 179.24 178.01 2i1s h THR 168 N -0.74 0.23 -0.73 0.35 2.02 -1.48 0.19 112.91 112.75 2i1s h THR 168 Ca -0.11 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2i1s h THR 168 Cb 1.31 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 2i1s h THR 168 CO 0.03 0.01 0.40 0.58 0.37 0.00 0.00 175.52 176.91 2i1s h VAL 169 N 0.05 1.22 -0.61 3.16 2.07 -1.57 0.36 116.25 120.92 2i1s h VAL 169 Ca 0.43 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2i1s h VAL 169 Cb 0.75 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2i1s h VAL 169 CO -0.77 0.24 0.33 0.25 0.02 0.00 0.00 177.57 177.64 2i1s h LEU 170 N 1.00 0.77 0.22 2.57 5.85 -1.27 0.39 115.31 124.85 2i1s h LEU 170 Ca 0.26 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2i1s h LEU 170 Cb 0.03 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.86 2i1s h LEU 170 CO -0.04 0.65 -0.11 -0.25 -0.34 0.00 0.00 178.44 178.35 2i1s h TRP 171 N 0.83 -0.27 0.00 1.25 7.01 0.15 -3.29 115.95 121.64 2i1s h TRP 171 Ca 0.22 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.21 2i1s h TRP 171 Cb 0.05 0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.20 2i1s h TRP 171 CO -0.01 -0.12 -0.95 1.28 -2.79 0.00 0.00 178.44 175.85 2i1s n LEU 172 N -5.19 0.71 0.00 0.65 4.77 0.04 -5.09 117.00 112.90 2i1s n LEU 172 Ca -0.09 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2i1s n LEU 172 Cb 0.16 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2i1s n LEU 172 CO 0.34 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 2i1s n GLY 173 N 1.27 -0.30 0.09 -0.72 0.00 0.14 -4.54 105.19 101.12 2i1s n GLY 173 Ca 0.01 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 2i1s n GLY 173 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i1s n ASP 174 N -1.23 0.97 0.00 1.61 9.92 -1.26 -3.60 116.55 122.97 2i1s n ASP 174 Ca 0.00 0.39 0.07 0.00 -0.53 0.00 0.00 54.79 54.72 2i1s n ASP 174 Cb 0.00 -0.12 0.34 0.00 -0.64 0.00 0.00 41.12 40.70 2i1s n ASP 174 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2i1s n ASP 175 N -3.08 0.00 -4.71 -2.24 3.85 -1.26 -4.88 116.55 104.23 2i1s n ASP 175 Ca -0.19 0.30 -0.42 0.00 -0.71 0.00 0.00 54.79 53.77 2i1s n ASP 175 Cb 1.05 -0.40 -0.03 0.00 -1.35 0.00 0.00 41.12 40.40 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 -2.80 3.11 -0.21 2.11 5.36 -1.24 -5.01 117.98 119.31 2i1s s PHE 176 Ca 0.10 0.91 -0.04 0.00 -0.96 0.00 0.00 56.93 56.95 2i1s s PHE 176 Cb 0.10 -3.67 0.07 0.00 -0.34 0.00 0.00 43.02 39.18 2i1s s PHE 176 CO 0.24 -2.37 0.09 0.34 -1.46 0.00 0.00 175.22 172.06 2i1s s ASP 177 N 1.39 2.78 0.65 6.13 2.15 -1.26 -5.03 116.67 123.48 2i1s s ASP 177 Ca 0.64 -0.84 0.36 0.00 0.43 0.00 0.00 52.55 53.15 2i1s s ASP 177 Cb -0.35 -0.37 1.99 0.00 -0.30 0.00 0.00 42.92 43.89 2i1s s ASP 177 CO 0.29 -0.36 2.16 1.55 -0.17 0.00 0.00 175.17 178.64 2i1s h PRO 178 N 8.36 0.00 -0.01 4.34 0.13 -1.94 -2.30 132.00 140.58 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 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2i1s h PRO 178 CO 0.34 0.00 -0.64 0.39 -0.23 0.00 0.00 178.00 177.86 2i1s n GLU 179 N -3.16 0.74 -2.86 0.86 -0.58 -1.26 -0.90 120.64 113.47 2i1s n GLU 179 Ca -0.02 -0.60 -0.42 0.00 -0.42 0.00 0.00 57.16 55.70 2i1s n GLU 179 Cb 0.23 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.58 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 -2.67 3.28 -0.09 -0.32 5.04 -0.86 -3.95 117.35 117.77 2i1s s TYR 180 Ca 0.15 1.10 -0.06 0.00 -2.44 0.00 0.00 57.07 55.81 2i1s s TYR 180 Cb 0.17 -3.16 0.03 0.00 0.35 0.00 0.00 41.96 39.36 2i1s s TYR 180 CO 0.67 -0.47 0.22 0.12 -1.34 0.00 0.00 175.55 174.75 2i1s s PHE 181 N 2.96 -0.25 -0.14 4.97 5.36 -1.26 -2.80 117.98 126.83 2i1s s PHE 181 Ca 0.36 0.62 -0.00 0.00 -0.96 0.00 0.00 56.93 56.95 2i1s s PHE 181 Cb -0.15 0.06 0.03 0.00 -0.34 0.00 0.00 43.02 42.62 2i1s s PHE 181 CO 0.09 -0.15 -0.09 0.34 -1.46 0.00 0.00 175.22 173.95 2i1s s ASP 182 N 0.52 2.48 0.55 6.13 -1.08 -1.26 -4.91 116.67 119.10 2i1s s ASP 182 Ca -0.03 -0.44 0.30 0.00 -0.52 0.00 0.00 52.55 51.86 2i1s s ASP 182 Cb -0.05 -0.97 1.47 0.00 -1.46 0.00 0.00 42.92 41.91 2i1s s ASP 182 CO -0.03 -0.11 1.89 -0.65 0.52 0.00 0.00 175.17 176.79 2i1s h PRO 183 N 8.12 0.00 0.00 4.34 0.11 -1.90 -0.13 132.00 142.54 2i1s h PRO 183 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2i1s h PRO 183 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2i1s h PRO 183 CO 0.45 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.87 2i1s n LYS 184 N -4.12 0.05 0.20 1.05 5.02 -1.26 -2.31 118.16 116.79 2i1s n LYS 184 Ca 0.15 0.05 0.09 0.00 -2.02 0.00 0.00 58.31 56.59 2i1s n LYS 184 Cb 0.88 -1.50 0.22 0.00 -0.02 0.00 0.00 35.03 34.61 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 -2.87 4.39 3.32 -1.44 -3.45 116.42 116.37 2i1s h ASP 185 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 2i1s h ASP 185 Cb 0.42 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.97 2i1s h ASP 185 CO 0.00 0.18 0.85 -0.69 -1.72 0.00 0.00 179.24 177.87 2i1s s VAL 186 N -3.24 3.49 -0.22 -1.35 1.01 -0.98 -5.00 120.40 114.11 2i1s s VAL 186 Ca 0.05 0.93 0.02 0.00 0.00 0.00 0.00 61.98 62.97 2i1s s VAL 186 Cb 0.07 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.90 2i1s s VAL 186 CO 0.67 0.01 -0.13 -0.55 0.00 0.00 0.00 175.10 175.11 2i1s s SER 187 N 1.88 3.72 0.00 3.32 0.15 -1.26 -4.98 113.70 116.53 2i1s s SER 187 Ca 0.66 -1.02 0.31 0.00 0.70 0.00 0.00 55.95 56.60 2i1s s SER 187 Cb -0.34 -1.40 1.80 0.00 -1.71 0.00 0.00 66.02 64.37 2i1s s SER 187 CO 0.28 -0.13 2.17 0.49 1.20 0.00 0.00 173.24 177.25