#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 7i1b n PRO 2 N 0.00 0.39 -1.40 0.00 -0.04 -1.26 -4.69 135.00 127.99 7i1b n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 7i1b n PRO 2 Cb 0.00 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 7i1b n PRO 2 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 7i1b n VAL 3 N 0.78 0.00 -3.89 0.52 0.31 -1.26 -4.72 118.33 110.07 7i1b n VAL 3 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 7i1b n VAL 3 Cb 0.19 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.98 7i1b n VAL 3 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 7i1b s ARG 4 N -1.35 2.45 0.67 5.55 0.52 -1.26 -5.08 118.95 120.45 7i1b s ARG 4 Ca 0.00 -1.26 -0.00 0.00 -0.52 0.00 0.00 55.73 53.94 7i1b s ARG 4 Cb 0.00 -3.21 0.10 0.00 0.52 0.00 0.00 34.95 32.36 7i1b s ARG 4 CO 0.00 -0.63 0.93 -1.12 0.02 0.00 0.00 175.30 174.50 7i1b s SER 5 N 1.27 4.64 -0.30 0.23 0.01 -1.26 -2.64 113.70 115.65 7i1b s SER 5 Ca -0.05 -0.23 -0.08 0.00 1.31 0.00 0.00 55.95 56.91 7i1b s SER 5 Cb -0.20 -0.31 0.17 0.00 0.21 0.00 0.00 66.02 65.89 7i1b s SER 5 CO -0.01 -1.64 0.80 -0.22 0.41 0.00 0.00 173.24 172.58 7i1b s LEU 6 N -5.04 -0.96 0.28 2.44 2.96 0.21 -4.92 118.68 113.65 7i1b s LEU 6 Ca 0.63 0.82 -0.29 0.00 -0.22 0.00 0.00 54.13 55.07 7i1b s LEU 6 Cb -0.07 1.89 -0.10 0.00 0.50 0.00 0.00 46.19 48.42 7i1b s LEU 6 CO 0.43 -0.18 1.10 0.20 -1.32 0.00 0.00 176.35 176.57 7i1b s ASN 7 N 2.82 7.27 -0.17 3.68 0.01 -1.26 0.26 114.94 127.54 7i1b s ASN 7 Ca 0.07 2.27 -0.30 0.00 -0.71 0.00 0.00 52.86 54.18 7i1b s ASN 7 Cb -0.12 -2.63 0.13 0.00 0.41 0.00 0.00 41.25 39.05 7i1b s ASN 7 CO -0.17 -0.14 1.03 0.00 -1.51 0.00 0.00 177.10 176.30 7i1b s THR 9 N -1.08 4.45 -0.11 0.00 -4.23 -0.85 -2.15 115.64 111.66 7i1b s THR 9 Ca -0.01 -0.95 0.03 0.00 -1.18 0.00 0.00 61.69 59.58 7i1b s THR 9 Cb -0.01 -3.56 0.01 0.00 1.34 0.00 0.00 72.50 70.28 7i1b s THR 9 CO 0.01 -0.23 -0.22 -0.76 -0.54 0.00 0.00 174.62 172.88 7i1b s LEU 10 N -4.14 2.04 0.01 4.79 1.43 -1.26 -2.49 118.68 119.05 7i1b s LEU 10 Ca 0.42 -0.55 0.06 0.00 -1.03 0.00 0.00 54.13 53.03 7i1b s LEU 10 Cb -0.09 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 7i1b s LEU 10 CO 0.31 0.11 -0.17 -0.60 0.23 0.00 0.00 176.35 176.23 7i1b s ARG 11 N 0.57 1.32 0.72 1.70 3.52 -0.81 -3.24 118.95 122.73 7i1b s ARG 11 Ca -0.14 -0.70 -0.08 0.00 -0.13 0.00 0.00 55.73 54.68 7i1b s ARG 11 Cb -0.17 -1.32 0.16 0.00 -1.56 0.00 0.00 34.95 32.06 7i1b s ARG 11 CO 0.04 0.35 0.98 -0.40 -0.81 0.00 0.00 175.30 175.47 7i1b n ASP 12 N 2.37 0.56 0.15 -2.12 5.75 -0.49 -1.30 116.55 121.46 7i1b n ASP 12 Ca -0.16 -1.65 0.13 0.00 -0.01 0.00 0.00 54.79 53.10 7i1b n ASP 12 Cb 0.54 -0.71 0.50 0.00 -1.03 0.00 0.00 41.12 40.42 7i1b n ASP 12 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 7i1b h SER 13 N -1.02 0.00 -0.18 -1.12 4.64 -1.90 -2.48 113.55 111.49 7i1b h SER 13 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 7i1b h SER 13 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 7i1b h SER 13 CO 0.27 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.90 7i1b n GLN 14 N -2.38 1.72 -0.96 4.77 7.27 -1.26 -4.88 117.38 121.66 7i1b n GLN 14 Ca 0.02 -1.09 0.00 0.00 0.07 0.00 0.00 57.00 56.00 7i1b n GLN 14 Cb 0.28 -1.38 0.00 0.00 2.41 0.00 0.00 30.24 31.55 7i1b n GLN 14 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 7i1b n GLN 15 N 0.32 0.00 -2.28 3.69 7.27 -0.93 -5.02 117.38 120.43 7i1b n GLN 15 Ca 0.16 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.94 7i1b n GLN 15 Cb 0.32 -2.70 0.01 0.00 2.41 0.00 0.00 30.24 30.28 7i1b n GLN 15 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 7i1b s LYS 16 N -0.04 3.53 0.38 3.69 1.02 -1.26 -4.83 119.74 122.24 7i1b s LYS 16 Ca 0.00 0.44 0.08 0.00 0.02 0.00 0.00 55.97 56.51 7i1b s LYS 16 Cb 0.00 -2.24 -0.05 0.00 -0.52 0.00 0.00 37.83 35.02 7i1b s LYS 16 CO 0.00 -0.40 0.11 -1.12 -0.92 0.00 0.00 175.35 173.03 7i1b s SER 17 N -4.15 4.34 -0.12 2.83 0.01 -1.04 -1.40 113.70 114.17 7i1b s SER 17 Ca 0.51 -1.04 -0.08 0.00 1.31 0.00 0.00 55.95 56.65 7i1b s SER 17 Cb -0.11 -0.52 -0.04 0.00 0.21 0.00 0.00 66.02 65.56 7i1b s SER 17 CO 0.49 -0.41 0.17 -0.76 0.41 0.00 0.00 173.24 173.13 7i1b s LEU 18 N -3.83 4.38 0.02 2.44 1.43 -1.20 -2.43 118.68 119.49 7i1b s LEU 18 Ca 0.38 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.99 7i1b s LEU 18 Cb 0.02 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 7i1b s LEU 18 CO 0.21 0.37 -0.07 0.68 0.23 0.00 0.00 176.35 177.78 7i1b s VAL 19 N -0.87 0.49 -0.62 -1.59 -7.23 -0.84 -2.68 120.40 107.05 7i1b s VAL 19 Ca 0.15 -0.67 -0.25 0.00 -1.81 0.00 0.00 61.98 59.40 7i1b s VAL 19 Cb -0.12 -0.49 0.04 0.00 0.56 0.00 0.00 36.38 36.37 7i1b s VAL 19 CO 0.04 -0.14 1.06 0.00 -0.31 0.00 0.00 175.10 175.76 7i1b s MET 20 N -0.88 3.28 0.05 4.82 0.23 -1.26 -1.15 119.30 124.38 7i1b s MET 20 Ca -0.04 -0.31 0.26 0.00 -1.03 0.00 0.00 55.69 54.56 7i1b s MET 20 Cb -0.06 -4.12 0.62 0.00 -1.53 0.00 0.00 34.83 29.75 7i1b s MET 20 CO 0.00 -1.75 1.51 0.45 -2.03 0.00 0.00 175.02 173.21 7i1b n SER 21 N 8.11 0.48 -2.68 -1.18 2.88 -0.86 -4.94 113.62 115.42 7i1b n SER 21 Ca 0.02 0.05 -0.11 0.00 -1.33 0.00 0.00 58.87 57.50 7i1b n SER 21 Cb 0.48 0.01 -0.00 0.00 -0.75 0.00 0.00 64.21 63.94 7i1b n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 7i1b n GLY 22 N 1.44 1.74 0.49 0.46 0.00 -0.64 -4.99 105.19 103.69 7i1b n GLY 22 Ca 0.05 -1.43 -0.19 0.00 0.00 0.00 0.00 46.02 44.45 7i1b n GLY 22 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 7i1b h PRO 23 N 0.00 -1.14 -0.69 1.61 0.11 -2.03 -3.25 132.00 126.61 7i1b h PRO 23 Ca -0.26 0.08 -0.47 0.00 0.11 0.00 0.00 66.00 65.45 7i1b h PRO 23 Cb 1.06 0.26 -0.31 0.00 0.11 0.00 0.00 31.00 32.13 7i1b h PRO 23 CO 0.35 -0.76 -0.25 0.66 -0.21 0.00 0.00 178.00 177.79 7i1b n TYR 24 N -5.39 2.37 -3.74 0.65 4.01 -1.26 -4.97 117.16 108.83 7i1b n TYR 24 Ca -0.15 -2.24 -0.13 0.00 -0.16 0.00 0.00 57.90 55.23 7i1b n TYR 24 Cb 0.48 -0.63 -0.14 0.00 -0.31 0.00 0.00 39.34 38.75 7i1b n TYR 24 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 7i1b s GLU 25 N -3.56 0.13 0.20 -0.72 2.02 -1.23 -4.42 118.70 111.12 7i1b s GLU 25 Ca 0.52 0.44 0.09 0.00 0.02 0.00 0.00 54.97 56.04 7i1b s GLU 25 Cb 0.43 -0.16 -0.04 0.00 0.10 0.00 0.00 34.13 34.46 7i1b s GLU 25 CO 0.01 -0.17 -0.18 -0.51 0.02 0.00 0.00 175.26 174.44 7i1b s LEU 26 N 1.23 2.50 -0.06 1.80 1.02 -1.26 -1.62 118.68 122.28 7i1b s LEU 26 Ca -0.09 -0.94 -0.14 0.00 0.02 0.00 0.00 54.13 52.98 7i1b s LEU 26 Cb -0.11 -0.84 0.03 0.00 0.02 0.00 0.00 46.19 45.28 7i1b s LEU 26 CO -0.07 -0.05 0.34 -1.59 0.02 0.00 0.00 176.35 174.99 7i1b s LYS 27 N -3.16 0.58 0.15 1.70 -2.85 -0.30 -1.47 119.74 114.39 7i1b s LYS 27 Ca 0.20 0.08 -0.10 0.00 -1.00 0.00 0.00 55.97 55.16 7i1b s LYS 27 Cb -0.04 0.26 -0.06 0.00 -2.06 0.00 0.00 37.83 35.93 7i1b s LYS 27 CO 0.08 -0.14 0.46 0.00 0.10 0.00 0.00 175.35 175.86 7i1b s ALA 28 N -0.75 3.67 0.20 0.59 0.00 -1.06 -1.98 121.76 122.43 7i1b s ALA 28 Ca -0.08 -0.34 -0.22 0.00 0.00 0.00 0.00 51.96 51.32 7i1b s ALA 28 Cb -0.04 -2.33 0.07 0.00 0.00 0.00 0.00 23.12 20.82 7i1b s ALA 28 CO 0.03 0.55 1.00 -0.48 0.00 0.00 0.00 175.76 176.86 7i1b s LEU 29 N -2.32 -0.03 -0.77 0.00 0.05 -1.02 -2.75 118.68 111.84 7i1b s LEU 29 Ca 0.40 -0.67 -0.26 0.00 0.05 0.00 0.00 54.13 53.65 7i1b s LEU 29 Cb -0.13 2.16 0.04 0.00 -2.05 0.00 0.00 46.19 46.21 7i1b s LEU 29 CO 0.20 -1.04 1.27 -1.00 -0.55 0.00 0.00 176.35 175.24 7i1b s HIS 30 N -2.39 2.35 -0.25 3.48 3.76 -1.26 -2.51 115.29 118.48 7i1b s HIS 30 Ca 0.19 -0.19 -0.09 0.00 -0.15 0.00 0.00 55.06 54.82 7i1b s HIS 30 Cb -0.03 -4.61 -0.04 0.00 1.11 0.00 0.00 32.58 29.02 7i1b s HIS 30 CO 0.05 -2.02 0.13 -1.17 -0.85 0.00 0.00 174.74 170.88 7i1b s LEU 31 N 5.49 3.85 0.10 0.89 2.96 -1.26 -5.03 118.68 125.67 7i1b s LEU 31 Ca 0.35 -0.02 -0.25 0.00 -0.22 0.00 0.00 54.13 53.99 7i1b s LEU 31 Cb -0.08 -2.04 0.07 0.00 0.50 0.00 0.00 46.19 44.65 7i1b s LEU 31 CO 0.12 0.02 0.63 -1.58 -1.32 0.00 0.00 176.35 174.22 7i1b s GLN 32 N 1.33 1.20 0.62 1.98 0.74 -1.26 -4.90 119.66 119.37 7i1b s GLN 32 Ca 0.06 -0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.18 7i1b s GLN 32 Cb -0.15 0.56 0.00 0.00 1.10 0.00 0.00 33.01 34.52 7i1b s GLN 32 CO 0.06 -0.50 0.00 0.41 -0.55 0.00 0.00 175.29 174.71 7i1b n GLY 33 N -0.07 -1.90 0.23 2.59 0.00 -1.26 -3.98 105.19 100.81 7i1b n GLY 33 Ca -0.17 -1.69 0.14 0.00 0.00 0.00 0.00 46.02 44.29 7i1b n GLY 33 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 7i1b h GLN 34 N 0.00 0.00 0.00 1.61 4.15 -2.06 0.29 115.11 119.10 7i1b h GLN 34 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 7i1b h GLN 34 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 7i1b h GLN 34 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 178.83 173.43 7i1b n ASP 35 N -2.51 0.00 -0.07 -0.69 -0.08 -1.26 -3.36 116.55 108.59 7i1b n ASP 35 Ca -0.02 -0.48 0.16 0.00 -1.51 0.00 0.00 54.79 52.95 7i1b n ASP 35 Cb 0.16 -0.11 0.58 0.00 2.34 0.00 0.00 41.12 44.09 7i1b n ASP 35 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 7i1b h MET 36 N 0.00 0.22 0.00 -0.67 -0.00 -0.60 0.75 114.93 114.63 7i1b h MET 36 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 7i1b h MET 36 Cb 0.08 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 31.63 7i1b h MET 36 CO 0.00 0.15 0.19 -0.85 -0.00 0.00 0.00 176.91 176.40 7i1b n GLU 37 N -4.44 0.00 -0.57 -0.10 0.28 -1.21 -0.46 120.64 114.14 7i1b n GLU 37 Ca 0.11 0.30 -0.08 0.00 -0.16 0.00 0.00 57.16 57.33 7i1b n GLU 37 Cb 0.52 -1.69 0.12 0.00 1.43 0.00 0.00 31.44 31.81 7i1b n GLU 37 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 7i1b n GLN 38 N -1.30 1.97 -3.71 3.44 6.02 0.26 -4.85 117.38 119.21 7i1b n GLN 38 Ca 0.00 -1.52 -0.36 0.00 -0.01 0.00 0.00 57.00 55.11 7i1b n GLN 38 Cb 0.19 -1.67 -0.09 0.00 1.02 0.00 0.00 30.24 29.70 7i1b n GLN 38 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 7i1b s GLN 39 N -1.71 4.12 0.79 -1.09 -2.07 0.40 -4.62 119.66 115.48 7i1b s GLN 39 Ca 0.28 -0.25 -0.12 0.00 -1.82 0.00 0.00 55.36 53.45 7i1b s GLN 39 Cb 0.23 -3.46 0.07 0.00 -1.09 0.00 0.00 33.01 28.75 7i1b s GLN 39 CO 0.06 0.19 1.11 0.08 -1.32 0.00 0.00 175.29 175.40 7i1b s VAL 40 N 0.69 2.98 -0.08 3.63 1.01 -1.09 -5.02 120.40 122.52 7i1b s VAL 40 Ca 0.08 0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 7i1b s VAL 40 Cb -0.12 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.16 7i1b s VAL 40 CO 0.01 -0.42 0.02 -0.69 0.00 0.00 0.00 175.10 174.03 7i1b s VAL 41 N -3.24 0.25 -0.13 2.92 1.01 -1.26 -4.75 120.40 115.20 7i1b s VAL 41 Ca 0.61 0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.62 7i1b s VAL 41 Cb -0.14 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 7i1b s VAL 41 CO 0.53 0.16 0.14 -0.36 0.00 0.00 0.00 175.10 175.58 7i1b s PHE 42 N 2.02 3.58 -0.60 5.22 0.40 -0.92 -2.11 117.98 125.57 7i1b s PHE 42 Ca 0.04 0.51 -0.17 0.00 -0.60 0.00 0.00 56.93 56.71 7i1b s PHE 42 Cb -0.13 -1.97 0.12 0.00 0.51 0.00 0.00 43.02 41.56 7i1b s PHE 42 CO -0.05 0.69 0.64 0.45 0.70 0.00 0.00 175.22 177.65 7i1b s SER 43 N -0.86 6.25 0.37 1.36 0.15 0.12 -1.67 113.70 119.41 7i1b s SER 43 Ca 0.14 -1.70 -0.27 0.00 0.70 0.00 0.00 55.95 54.82 7i1b s SER 43 Cb -0.12 -2.26 -0.09 0.00 -1.71 0.00 0.00 66.02 61.84 7i1b s SER 43 CO 0.03 -0.97 1.19 -0.32 1.20 0.00 0.00 173.24 174.38 7i1b s MET 44 N 2.04 4.21 -0.08 5.44 1.75 0.14 -2.64 119.30 130.17 7i1b s MET 44 Ca 0.09 1.93 -0.02 0.00 -1.25 0.00 0.00 55.69 56.45 7i1b s MET 44 Cb -0.25 -2.85 0.03 0.00 2.84 0.00 0.00 34.83 34.61 7i1b s MET 44 CO 0.03 -0.21 0.01 -1.12 -0.65 0.00 0.00 175.02 173.08 7i1b s SER 45 N -0.94 1.63 -0.49 1.11 0.01 -0.41 0.68 113.70 115.29 7i1b s SER 45 Ca 0.53 -0.12 -0.28 0.00 1.31 0.00 0.00 55.95 57.39 7i1b s SER 45 Cb -0.33 -0.42 0.01 0.00 0.21 0.00 0.00 66.02 65.49 7i1b s SER 45 CO 0.42 -0.21 1.43 -0.36 0.41 0.00 0.00 173.24 174.94 7i1b s PHE 46 N 1.99 2.31 0.00 2.43 0.40 -1.08 -1.27 117.98 122.75 7i1b s PHE 46 Ca 0.05 0.58 0.00 0.00 -0.60 0.00 0.00 56.93 56.96 7i1b s PHE 46 Cb -0.13 -4.34 0.00 0.00 0.51 0.00 0.00 43.02 39.06 7i1b s PHE 46 CO -0.05 -2.00 0.00 1.33 0.70 0.00 0.00 175.22 175.20 7i1b n VAL 47 N 6.99 0.00 -3.87 -0.44 0.24 -1.02 -4.55 118.33 115.66 7i1b n VAL 47 Ca 0.15 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.14 7i1b n VAL 47 Cb 0.49 -0.68 -0.04 0.00 -1.47 0.00 0.00 33.84 32.14 7i1b n VAL 47 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 7i1b s GLN 48 N -0.59 3.47 0.00 7.34 0.74 -0.82 -4.75 119.66 125.06 7i1b s GLN 48 Ca 0.00 -0.38 0.00 0.00 0.05 0.00 0.00 55.36 55.03 7i1b s GLN 48 Cb 0.00 -3.00 0.00 0.00 1.10 0.00 0.00 33.01 31.11 7i1b s GLN 48 CO 0.00 0.58 0.00 0.41 -0.55 0.00 0.00 175.29 175.73 7i1b n GLY 49 N 0.22 -0.97 3.57 2.59 0.00 -1.26 -4.64 105.19 104.69 7i1b n GLY 49 Ca -0.05 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.71 7i1b n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 7i1b n GLU 50 N 0.00 0.08 -3.62 1.61 -0.58 -1.26 -4.87 120.64 112.00 7i1b n GLU 50 Ca 0.00 -1.61 -0.36 0.00 -0.42 0.00 0.00 57.16 54.77 7i1b n GLU 50 Cb 0.00 -3.77 -0.06 0.00 -0.57 0.00 0.00 31.44 27.05 7i1b n GLU 50 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 7i1b s GLU 51 N 8.36 3.74 0.00 3.49 -1.05 -1.26 -4.56 118.70 127.43 7i1b s GLU 51 Ca 0.80 0.17 0.00 0.00 -0.15 0.00 0.00 54.97 55.79 7i1b s GLU 51 Cb -0.03 -3.10 0.00 0.00 -0.44 0.00 0.00 34.13 30.57 7i1b s GLU 51 CO 0.21 0.64 0.00 0.45 0.95 0.00 0.00 175.26 177.50 7i1b n SER 52 N 1.32 0.00 -0.00 0.83 2.88 -0.83 -4.99 113.62 112.83 7i1b n SER 52 Ca -0.11 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.26 7i1b n SER 52 Cb 0.53 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.85 7i1b n SER 52 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 7i1b h ASN 53 N 0.00 0.25 0.00 -3.46 -1.24 -2.02 -3.43 115.58 105.68 7i1b h ASN 53 Ca 0.00 -0.57 0.00 0.00 0.71 0.00 0.00 56.30 56.44 7i1b h ASN 53 Cb 0.00 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 38.97 7i1b h ASN 53 CO 0.00 1.51 -0.99 0.47 -1.29 0.00 0.00 177.43 177.12 7i1b n ASP 54 N -3.31 4.01 -4.60 1.15 9.92 -1.26 -4.98 116.55 117.48 7i1b n ASP 54 Ca -0.25 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.58 7i1b n ASP 54 Cb 1.05 0.02 -0.03 0.00 -0.64 0.00 0.00 41.12 41.52 7i1b n ASP 54 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 7i1b s LYS 55 N -1.99 3.18 -0.41 -1.24 -0.14 -1.26 -4.40 119.74 113.47 7i1b s LYS 55 Ca 0.00 1.81 0.03 0.00 -1.36 0.00 0.00 55.97 56.46 7i1b s LYS 55 Cb 0.00 -4.32 0.11 0.00 -1.68 0.00 0.00 37.83 31.95 7i1b s LYS 55 CO 0.00 -2.04 0.15 0.42 -0.76 0.00 0.00 175.35 173.11 7i1b s ILE 56 N 7.89 2.18 0.10 2.17 1.01 -1.01 -1.96 121.20 131.57 7i1b s ILE 56 Ca 0.93 -2.62 -0.31 0.00 0.00 0.00 0.00 60.65 58.65 7i1b s ILE 56 Cb -0.29 -2.57 -0.09 0.00 0.01 0.00 0.00 42.46 39.52 7i1b s ILE 56 CO 0.34 -0.70 1.64 -2.84 0.00 0.00 0.00 174.94 173.38 7i1b s PRO 57 N 0.50 4.20 0.00 2.79 0.02 -1.26 -1.79 135.00 139.46 7i1b s PRO 57 Ca 0.14 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.51 7i1b s PRO 57 Cb -0.22 -3.47 0.00 0.00 0.02 0.00 0.00 34.50 30.84 7i1b s PRO 57 CO -0.06 -0.70 0.00 1.33 -0.33 0.00 0.00 177.00 177.24 7i1b n VAL 58 N 4.50 0.00 -3.75 3.83 0.24 -0.97 -2.45 118.33 119.74 7i1b n VAL 58 Ca 0.15 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.32 7i1b n VAL 58 Cb 0.40 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.63 7i1b n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 7i1b s ALA 59 N -2.00 -0.42 -0.37 2.33 0.00 -0.40 -2.37 121.76 118.53 7i1b s ALA 59 Ca 0.00 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 7i1b s ALA 59 Cb 0.00 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.63 7i1b s ALA 59 CO 0.00 -0.16 0.20 -0.51 0.00 0.00 0.00 175.76 175.28 7i1b s LEU 60 N 1.06 4.67 -0.11 0.00 1.43 -1.26 -1.29 118.68 123.17 7i1b s LEU 60 Ca -0.08 -0.99 0.02 0.00 -1.03 0.00 0.00 54.13 52.05 7i1b s LEU 60 Cb -0.10 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.13 7i1b s LEU 60 CO -0.06 -0.38 -0.15 -0.83 0.23 0.00 0.00 176.35 175.16 7i1b s GLY 61 N 1.54 1.04 -0.51 -3.19 0.00 -1.08 -2.35 107.32 102.78 7i1b s GLY 61 Ca 0.02 -0.74 -0.32 0.00 0.00 0.00 0.00 44.72 43.68 7i1b s GLY 61 CO 0.06 0.26 2.34 1.04 0.00 0.00 0.00 173.10 176.81 7i1b n LEU 62 N 4.26 1.79 -0.31 0.66 4.77 -0.77 0.10 117.00 127.50 7i1b n LEU 62 Ca -0.19 0.16 0.14 0.00 -0.03 0.00 0.00 56.01 56.10 7i1b n LEU 62 Cb 0.51 -1.26 0.30 0.00 -2.33 0.00 0.00 43.42 40.63 7i1b n LEU 62 CO 0.24 -0.92 0.89 0.50 -1.33 0.00 0.00 177.39 176.76 7i1b h LYS 63 N 13.89 0.11 0.13 3.23 3.64 -1.73 -0.38 116.57 135.45 7i1b h LYS 63 Ca -0.22 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.17 7i1b h LYS 63 Cb 1.31 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.07 7i1b h LYS 63 CO 1.12 0.07 -0.31 0.93 -2.27 0.00 0.00 179.45 178.99 7i1b h GLU 64 N 0.11 -0.52 0.00 1.90 5.08 -1.86 -3.45 114.58 115.84 7i1b h GLU 64 Ca 0.57 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.97 7i1b h GLU 64 Cb 1.19 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.56 7i1b h GLU 64 CO -0.76 -0.35 0.00 1.63 -1.00 0.00 0.00 179.01 178.53 7i1b n LYS 65 N -5.41 3.49 -1.34 2.33 5.02 -0.15 -5.05 118.16 117.04 7i1b n LYS 65 Ca -0.07 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.11 7i1b n LYS 65 Cb 0.32 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.45 7i1b n LYS 65 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 7i1b n ASN 66 N -0.04 3.62 -4.68 4.39 6.94 -1.26 -4.47 115.26 119.76 7i1b n ASN 66 Ca 0.00 -3.82 -0.39 0.00 -0.02 0.00 0.00 54.58 50.35 7i1b n ASN 66 Cb 0.00 -0.47 -0.06 0.00 -2.36 0.00 0.00 39.78 36.88 7i1b n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 7i1b s LEU 67 N -3.44 4.18 -0.19 -4.53 1.43 -1.26 -2.74 118.68 112.13 7i1b s LEU 67 Ca 0.46 0.78 -0.03 0.00 -1.03 0.00 0.00 54.13 54.31 7i1b s LEU 67 Cb 0.40 -2.77 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 7i1b s LEU 67 CO -0.01 -0.16 -0.06 -0.31 0.23 0.00 0.00 176.35 176.05 7i1b s TYR 68 N 1.44 2.94 0.47 0.29 1.51 -0.45 -1.84 117.35 121.72 7i1b s TYR 68 Ca 0.26 -0.77 -0.23 0.00 -1.01 0.00 0.00 57.07 55.33 7i1b s TYR 68 Cb -0.16 -2.04 -0.08 0.00 -0.11 0.00 0.00 41.96 39.57 7i1b s TYR 68 CO 0.10 -0.40 1.12 1.28 -1.11 0.00 0.00 175.55 176.55 7i1b n LEU 69 N 4.36 3.62 -3.86 -1.29 4.32 -0.99 -2.01 117.00 121.14 7i1b n LEU 69 Ca -0.18 1.00 -0.10 0.00 -0.02 0.00 0.00 56.01 56.72 7i1b n LEU 69 Cb 0.51 -1.43 -0.06 0.00 -1.62 0.00 0.00 43.42 40.82 7i1b n LEU 69 CO 0.30 -1.20 0.06 -0.94 -1.22 0.00 0.00 177.39 174.39 7i1b s SER 70 N -0.80 -0.05 -0.24 -1.43 1.04 0.66 -4.62 113.70 108.26 7i1b s SER 70 Ca 0.66 -0.70 -0.04 0.00 0.48 0.00 0.00 55.95 56.36 7i1b s SER 70 Cb -0.49 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.09 7i1b s SER 70 CO 0.54 -0.91 -0.03 0.00 0.98 0.00 0.00 173.24 173.82 7i1b s VAL 72 N 1.45 0.88 0.09 0.00 -7.23 -0.98 -4.81 120.40 109.80 7i1b s VAL 72 Ca 0.04 -1.99 -0.24 0.00 -1.81 0.00 0.00 61.98 57.99 7i1b s VAL 72 Cb -0.15 -1.75 -0.07 0.00 0.56 0.00 0.00 36.38 34.97 7i1b s VAL 72 CO -0.03 -0.82 0.73 -0.76 -0.31 0.00 0.00 175.10 173.91 7i1b s LEU 73 N -3.09 4.52 -0.57 1.32 1.43 -1.26 -1.46 118.68 119.56 7i1b s LEU 73 Ca 0.14 1.48 0.04 0.00 -1.03 0.00 0.00 54.13 54.76 7i1b s LEU 73 Cb 0.04 -3.18 0.16 0.00 0.03 0.00 0.00 46.19 43.24 7i1b s LEU 73 CO -0.03 0.14 0.40 -0.54 0.23 0.00 0.00 176.35 176.55 7i1b s LYS 74 N -0.66 1.81 0.00 1.70 -0.14 0.29 -4.74 119.74 118.00 7i1b s LYS 74 Ca 0.35 -2.75 0.00 0.00 -1.36 0.00 0.00 55.97 52.22 7i1b s LYS 74 Cb -0.21 -2.68 0.00 0.00 -1.68 0.00 0.00 37.83 33.25 7i1b s LYS 74 CO 0.23 -1.28 0.00 -0.25 -0.76 0.00 0.00 175.35 173.29 7i1b n ASP 75 N 2.53 -1.50 -0.06 2.83 8.00 -1.26 -3.71 116.55 123.37 7i1b n ASP 75 Ca 0.20 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.69 7i1b n ASP 75 Cb 0.38 -0.38 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 7i1b n ASP 75 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 7i1b n ASP 76 N 0.43 -4.65 -4.18 -2.24 8.00 -1.26 -4.98 116.55 107.66 7i1b n ASP 76 Ca 0.00 0.02 -0.33 0.00 0.71 0.00 0.00 54.79 55.19 7i1b n ASP 76 Cb 0.38 -2.22 -0.16 0.00 -0.02 0.00 0.00 41.12 39.09 7i1b n ASP 76 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 7i1b s LYS 77 N -1.24 3.05 0.51 -1.24 2.20 -1.24 -5.08 119.74 116.69 7i1b s LYS 77 Ca 0.00 -0.83 -0.23 0.00 -0.36 0.00 0.00 55.97 54.55 7i1b s LYS 77 Cb 0.00 -2.50 -0.07 0.00 -1.51 0.00 0.00 37.83 33.75 7i1b s LYS 77 CO 0.00 -0.05 1.22 -2.30 -0.36 0.00 0.00 175.35 173.86 7i1b n PRO 78 N 4.19 1.59 -3.81 4.03 -0.02 -1.26 -0.54 135.00 139.18 7i1b n PRO 78 Ca -0.20 0.58 -0.09 0.00 -2.02 0.00 0.00 63.50 61.77 7i1b n PRO 78 Cb 0.51 -2.39 -0.04 0.00 -0.02 0.00 0.00 33.50 31.56 7i1b n PRO 78 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 7i1b s THR 79 N -1.30 0.02 -0.13 3.45 2.01 -0.54 -4.71 115.64 114.44 7i1b s THR 79 Ca 0.68 -0.93 -0.04 0.00 0.31 0.00 0.00 61.69 61.71 7i1b s THR 79 Cb -0.46 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 7i1b s THR 79 CO 0.52 -0.09 0.02 -0.22 -0.69 0.00 0.00 174.62 174.16 7i1b s LEU 80 N -2.91 3.65 0.06 4.42 2.96 -1.26 -2.32 118.68 123.28 7i1b s LEU 80 Ca 0.12 0.10 -0.22 0.00 -0.22 0.00 0.00 54.13 53.91 7i1b s LEU 80 Cb -0.01 -1.87 0.05 0.00 0.50 0.00 0.00 46.19 44.86 7i1b s LEU 80 CO 0.00 0.29 0.52 -1.58 -1.32 0.00 0.00 176.35 174.26 7i1b s GLN 81 N -0.34 1.06 0.31 1.98 0.74 -0.62 -4.82 119.66 117.97 7i1b s GLN 81 Ca 0.07 -0.30 -0.15 0.00 0.05 0.00 0.00 55.36 55.04 7i1b s GLN 81 Cb -0.12 0.49 -0.09 0.00 1.10 0.00 0.00 33.01 34.39 7i1b s GLN 81 CO 0.02 -0.40 0.71 -0.51 -0.55 0.00 0.00 175.29 174.57 7i1b s LEU 82 N -2.12 4.09 -0.08 3.68 1.43 -1.26 -0.25 118.68 124.17 7i1b s LEU 82 Ca -0.04 1.25 -0.03 0.00 -1.03 0.00 0.00 54.13 54.28 7i1b s LEU 82 Cb -0.00 -4.00 0.04 0.00 0.03 0.00 0.00 46.19 42.26 7i1b s LEU 82 CO -0.04 -0.18 0.15 -0.70 0.23 0.00 0.00 176.35 175.82 7i1b s GLU 83 N -2.90 0.04 -0.23 1.70 2.56 -0.85 -4.89 118.70 114.13 7i1b s GLU 83 Ca 0.53 0.50 -0.29 0.00 0.00 0.00 0.00 54.97 55.70 7i1b s GLU 83 Cb -0.11 -0.25 -0.02 0.00 2.00 0.00 0.00 34.13 35.75 7i1b s GLU 83 CO 0.18 -0.27 1.55 -1.12 -0.56 0.00 0.00 175.26 175.04 7i1b s SER 84 N 1.96 6.44 0.23 -1.70 0.01 -1.26 -1.33 113.70 118.04 7i1b s SER 84 Ca -0.00 1.54 0.06 0.00 1.31 0.00 0.00 55.95 58.86 7i1b s SER 84 Cb -0.12 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 7i1b s SER 84 CO -0.06 -1.22 0.21 0.68 0.41 0.00 0.00 173.24 173.26 7i1b s VAL 85 N 5.01 4.59 -0.79 3.43 -7.23 -1.11 -4.97 120.40 119.33 7i1b s VAL 85 Ca 0.68 -1.25 -0.36 0.00 -1.81 0.00 0.00 61.98 59.24 7i1b s VAL 85 Cb -0.23 -3.45 -0.21 0.00 0.56 0.00 0.00 36.38 33.05 7i1b s VAL 85 CO 0.28 -0.28 2.47 -0.67 -0.31 0.00 0.00 175.10 176.59 7i1b n ASP 86 N -0.99 0.48 0.00 4.85 2.03 -1.26 -4.68 116.55 116.99 7i1b n ASP 86 Ca -0.08 0.39 0.04 0.00 0.52 0.00 0.00 54.79 55.66 7i1b n ASP 86 Cb 0.57 -0.91 0.24 0.00 -0.72 0.00 0.00 41.12 40.29 7i1b n ASP 86 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 7i1b n PRO 87 N 8.09 0.26 -0.11 -0.67 -0.02 -1.26 -1.78 135.00 139.50 7i1b n PRO 87 Ca 0.61 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.90 7i1b n PRO 87 Cb 0.00 -1.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.91 7i1b n PRO 87 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 7i1b n LYS 88 N -0.98 0.50 0.03 -0.52 5.02 -1.26 -4.64 118.16 116.31 7i1b n LYS 88 Ca 0.06 0.16 -0.07 0.00 -2.02 0.00 0.00 58.31 56.45 7i1b n LYS 88 Cb 0.03 -1.36 -0.12 0.00 -0.02 0.00 0.00 35.03 33.56 7i1b n LYS 88 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 7i1b h ASN 89 N -0.37 0.00 -3.05 4.39 -0.26 -1.88 -3.46 115.58 110.95 7i1b h ASN 89 Ca -0.51 0.00 -0.60 0.00 -0.56 0.00 0.00 56.30 54.63 7i1b h ASN 89 Cb 1.62 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.84 7i1b h ASN 89 CO -0.20 0.95 -0.40 -0.31 -1.06 0.00 0.00 177.43 176.41 7i1b s TYR 90 N -2.70 3.50 0.27 1.19 2.02 -0.74 -3.55 117.35 117.34 7i1b s TYR 90 Ca -0.01 0.42 -0.30 0.00 -0.37 0.00 0.00 57.07 56.81 7i1b s TYR 90 Cb 0.09 -1.89 -0.09 0.00 -0.40 0.00 0.00 41.96 39.66 7i1b s TYR 90 CO 0.82 0.51 1.10 -1.25 -1.57 0.00 0.00 175.55 175.15 7i1b s PRO 91 N -2.57 4.64 0.14 -1.71 0.04 -1.26 -4.73 135.00 129.54 7i1b s PRO 91 Ca 0.38 1.79 0.11 0.00 0.04 0.00 0.00 61.00 63.32 7i1b s PRO 91 Cb -0.13 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 7i1b s PRO 91 CO 0.26 0.20 -0.26 0.21 0.04 0.00 0.00 177.00 177.44 7i1b s LYS 92 N -1.30 1.40 0.64 4.56 2.20 -1.23 -4.65 119.74 121.36 7i1b s LYS 92 Ca 0.45 -1.36 0.30 0.00 -0.36 0.00 0.00 55.97 54.99 7i1b s LYS 92 Cb -0.32 -1.85 1.59 0.00 -1.51 0.00 0.00 37.83 35.74 7i1b s LYS 92 CO 0.40 0.43 1.93 1.57 -0.36 0.00 0.00 175.35 179.33 7i1b h LYS 93 N 3.79 0.00 -6.68 4.03 2.10 -1.91 -3.40 116.57 114.51 7i1b h LYS 93 Ca -0.50 0.00 -0.69 0.00 -2.00 0.00 0.00 60.65 57.46 7i1b h LYS 93 Cb 1.18 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 32.29 7i1b h LYS 93 CO 0.40 0.00 -0.82 0.21 -2.00 0.00 0.00 179.45 177.24 7i1b s LYS 94 N -4.29 1.87 -0.05 0.07 2.20 -1.26 -1.94 119.74 116.34 7i1b s LYS 94 Ca -0.04 -1.10 -0.12 0.00 -0.36 0.00 0.00 55.97 54.36 7i1b s LYS 94 Cb 0.11 -2.10 0.02 0.00 -1.51 0.00 0.00 37.83 34.35 7i1b s LYS 94 CO 0.37 0.51 0.28 -1.64 -0.36 0.00 0.00 175.35 174.51 7i1b s MET 95 N -1.66 0.51 0.83 4.03 -1.94 -1.26 -4.99 119.30 114.83 7i1b s MET 95 Ca 0.15 0.03 -0.12 0.00 -1.71 0.00 0.00 55.69 54.04 7i1b s MET 95 Cb -0.10 0.23 0.09 0.00 2.01 0.00 0.00 34.83 37.06 7i1b s MET 95 CO 0.06 -0.12 1.13 -1.21 -0.01 0.00 0.00 175.02 174.88 7i1b s GLU 96 N -0.73 1.77 0.51 2.03 0.41 -1.26 -4.77 118.70 116.66 7i1b s GLU 96 Ca -0.08 0.34 0.17 0.00 -0.41 0.00 0.00 54.97 54.99 7i1b s GLU 96 Cb -0.04 -1.91 1.26 0.00 -1.78 0.00 0.00 34.13 31.66 7i1b s GLU 96 CO 0.02 -1.77 2.11 0.87 -0.49 0.00 0.00 175.26 176.00 7i1b h LYS 97 N -1.19 0.05 0.00 1.61 1.79 -1.92 -0.37 116.57 116.54 7i1b h LYS 97 Ca -0.48 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 7i1b h LYS 97 Cb 1.31 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 7i1b h LYS 97 CO 0.63 0.03 0.00 0.00 -1.08 0.00 0.00 179.45 179.03 7i1b h ARG 98 N 0.05 0.00 0.00 3.15 3.08 -1.91 -2.39 114.38 116.36 7i1b h ARG 98 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 7i1b h ARG 98 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 7i1b h ARG 98 CO -0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 7i1b n PHE 99 N -2.39 0.00 -3.26 3.04 3.72 -0.24 -3.02 117.46 115.31 7i1b n PHE 99 Ca -0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.00 7i1b n PHE 99 Cb 0.05 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.53 7i1b n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 7i1b s VAL 100 N -0.26 5.13 -0.19 -4.37 1.01 -0.64 -4.45 120.40 116.63 7i1b s VAL 100 Ca 0.00 0.98 0.01 0.00 0.00 0.00 0.00 61.98 62.97 7i1b s VAL 100 Cb 0.00 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.57 7i1b s VAL 100 CO 0.00 0.24 -0.16 -0.36 0.00 0.00 0.00 175.10 174.81 7i1b s PHE 101 N 1.21 2.68 -0.56 5.22 0.40 -1.00 -2.25 117.98 123.68 7i1b s PHE 101 Ca 0.25 -1.65 -0.28 0.00 -0.60 0.00 0.00 56.93 54.66 7i1b s PHE 101 Cb -0.15 -1.82 0.01 0.00 0.51 0.00 0.00 43.02 41.56 7i1b s PHE 101 CO 0.10 -0.78 1.52 -0.80 0.70 0.00 0.00 175.22 175.96 7i1b s ASN 102 N 1.32 5.95 -0.46 1.36 -0.87 -0.87 -2.30 114.94 119.07 7i1b s ASN 102 Ca 0.02 0.34 -0.29 0.00 -1.57 0.00 0.00 52.86 51.37 7i1b s ASN 102 Cb -0.14 -2.54 0.02 0.00 -0.02 0.00 0.00 41.25 38.56 7i1b s ASN 102 CO -0.11 -1.84 1.31 -0.75 -2.57 0.00 0.00 177.10 173.14 7i1b s LYS 103 N 5.82 3.60 0.41 -0.60 2.36 -0.74 -2.52 119.74 128.07 7i1b s LYS 103 Ca 0.57 0.73 0.08 0.00 -2.55 0.00 0.00 55.97 54.79 7i1b s LYS 103 Cb -0.12 -3.99 -0.01 0.00 -1.05 0.00 0.00 37.83 32.66 7i1b s LYS 103 CO 0.24 -1.54 0.45 0.42 1.55 0.00 0.00 175.35 176.47 7i1b s ILE 104 N 5.13 2.85 -0.15 5.43 1.01 -0.14 -2.42 121.20 132.91 7i1b s ILE 104 Ca 0.55 -1.21 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 7i1b s ILE 104 Cb -0.11 -3.02 0.04 0.00 0.01 0.00 0.00 42.46 39.39 7i1b s ILE 104 CO 0.32 -0.01 -0.02 -1.61 0.00 0.00 0.00 174.94 173.61 7i1b s GLU 105 N -4.21 1.11 -0.02 2.79 2.02 -1.26 -2.03 118.70 117.10 7i1b s GLU 105 Ca 0.50 -0.36 -0.00 0.00 0.02 0.00 0.00 54.97 55.13 7i1b s GLU 105 Cb -0.06 -1.80 0.03 0.00 0.10 0.00 0.00 34.13 32.40 7i1b s GLU 105 CO 0.30 -0.44 0.04 0.42 0.02 0.00 0.00 175.26 175.59 7i1b s ILE 106 N 1.75 -0.06 -1.32 -1.63 1.01 -0.40 -4.85 121.20 115.69 7i1b s ILE 106 Ca 0.01 0.23 -0.05 0.00 0.00 0.00 0.00 60.65 60.84 7i1b s ILE 106 Cb -0.15 -0.09 0.02 0.00 0.01 0.00 0.00 42.46 42.25 7i1b s ILE 106 CO -0.07 0.09 1.03 -3.20 0.00 0.00 0.00 174.94 172.79 7i1b n ASN 107 N 4.23 -3.97 -2.91 3.58 5.15 -1.26 -1.36 115.26 118.72 7i1b n ASN 107 Ca -0.27 -0.64 -0.20 0.00 -0.60 0.00 0.00 54.58 52.87 7i1b n ASN 107 Cb 0.50 -4.78 0.01 0.00 -0.53 0.00 0.00 39.78 34.98 7i1b n ASN 107 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 7i1b n ASN 108 N -3.04 -4.83 -4.27 1.20 3.02 -1.26 -4.94 115.26 101.14 7i1b n ASN 108 Ca -0.13 -0.17 -0.15 0.00 -0.03 0.00 0.00 54.58 54.10 7i1b n ASN 108 Cb 0.61 -3.98 -0.10 0.00 -0.61 0.00 0.00 39.78 35.70 7i1b n ASN 108 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 7i1b s LYS 109 N -5.56 1.32 0.17 3.52 1.02 -0.47 -5.06 119.74 114.68 7i1b s LYS 109 Ca 0.22 -1.71 0.06 0.00 0.02 0.00 0.00 55.97 54.57 7i1b s LYS 109 Cb -0.11 -0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.11 7i1b s LYS 109 CO 0.28 -0.33 0.05 -0.51 -0.92 0.00 0.00 175.35 173.92 7i1b s LEU 110 N -3.25 3.51 -0.14 3.17 1.43 -0.19 -1.28 118.68 121.93 7i1b s LEU 110 Ca 0.38 -0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 7i1b s LEU 110 Cb 0.07 -2.15 0.07 0.00 0.03 0.00 0.00 46.19 44.22 7i1b s LEU 110 CO 0.13 0.08 0.26 -1.61 0.23 0.00 0.00 176.35 175.44 7i1b s GLU 111 N -2.99 0.16 -0.32 1.70 2.02 -0.86 -0.34 118.70 118.07 7i1b s GLU 111 Ca 0.29 0.65 -0.15 0.00 0.02 0.00 0.00 54.97 55.77 7i1b s GLU 111 Cb -0.10 -0.25 -0.02 0.00 0.10 0.00 0.00 34.13 33.86 7i1b s GLU 111 CO 0.20 -0.36 0.36 -0.06 0.02 0.00 0.00 175.26 175.42 7i1b s PHE 112 N 2.40 3.22 -0.15 1.61 0.08 -1.26 -0.96 117.98 122.92 7i1b s PHE 112 Ca 0.03 0.09 -0.06 0.00 0.12 0.00 0.00 56.93 57.11 7i1b s PHE 112 Cb -0.13 -2.63 -0.04 0.00 -0.57 0.00 0.00 43.02 39.65 7i1b s PHE 112 CO -0.09 -0.37 0.08 -2.00 -0.10 0.00 0.00 175.22 172.74 7i1b s GLU 113 N 2.02 3.64 -0.40 0.44 2.12 -1.05 -2.32 118.70 123.16 7i1b s GLU 113 Ca 0.12 -0.28 -0.27 0.00 0.36 0.00 0.00 54.97 54.89 7i1b s GLU 113 Cb -0.16 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 31.06 7i1b s GLU 113 CO 0.11 0.51 2.00 0.45 -0.54 0.00 0.00 175.26 177.79 7i1b s SER 114 N -0.29 5.42 0.60 -1.70 0.15 -0.05 -2.05 113.70 115.78 7i1b s SER 114 Ca 0.09 1.15 0.22 0.00 0.70 0.00 0.00 55.95 58.11 7i1b s SER 114 Cb -0.12 -2.52 1.19 0.00 -1.71 0.00 0.00 66.02 62.87 7i1b s SER 114 CO 0.01 -2.11 1.65 0.00 1.20 0.00 0.00 173.24 173.99 7i1b h ALA 115 N 14.92 1.41 0.01 5.45 0.00 -1.66 0.22 119.26 139.61 7i1b h ALA 115 Ca -0.32 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 7i1b h ALA 115 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 7i1b h ALA 115 CO 1.08 -0.41 -0.45 0.37 0.00 0.00 0.00 179.25 179.83 7i1b h GLN 116 N 0.00 0.02 -3.44 0.00 -0.00 -1.81 -3.42 115.11 106.46 7i1b h GLN 116 Ca 0.00 -0.03 -0.68 0.00 -0.00 0.00 0.00 58.65 57.93 7i1b h GLN 116 Cb 0.87 0.01 -0.37 0.00 0.00 0.00 0.00 27.48 28.00 7i1b h GLN 116 CO 0.00 1.02 -0.37 -0.06 0.00 0.00 0.00 178.83 179.41 7i1b s PHE 117 N -2.28 3.47 0.59 3.99 0.08 0.06 -5.09 117.98 118.80 7i1b s PHE 117 Ca -0.22 -2.91 -0.19 0.00 0.12 0.00 0.00 56.93 53.73 7i1b s PHE 117 Cb 0.00 -3.10 -0.04 0.00 -0.57 0.00 0.00 43.02 39.30 7i1b s PHE 117 CO 0.67 -0.78 1.14 -2.30 -0.10 0.00 0.00 175.22 173.86 7i1b n PRO 118 N 3.06 1.17 -0.17 0.24 -0.02 -1.17 -2.05 135.00 136.06 7i1b n PRO 118 Ca 0.11 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 7i1b n PRO 118 Cb 0.36 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 7i1b n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 7i1b n ASN 119 N -1.03 0.00 -4.31 2.55 5.03 -1.26 -5.01 115.26 111.22 7i1b n ASN 119 Ca 0.13 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.23 7i1b n ASN 119 Cb 0.46 0.00 -0.14 0.00 -1.02 0.00 0.00 39.78 39.08 7i1b n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 7i1b s TRP 120 N -2.81 2.95 0.49 3.10 0.52 -0.87 -4.51 118.94 117.81 7i1b s TRP 120 Ca 0.00 -0.92 0.02 0.00 0.02 0.00 0.00 56.10 55.22 7i1b s TRP 120 Cb 0.00 -2.08 -0.03 0.00 -1.15 0.00 0.00 33.47 30.21 7i1b s TRP 120 CO 0.00 -0.52 0.00 0.71 0.02 0.00 0.00 176.95 177.16 7i1b s TYR 121 N 1.38 1.98 -0.19 -1.98 1.51 -0.92 -0.87 117.35 118.26 7i1b s TYR 121 Ca 0.05 -0.91 -0.25 0.00 -1.01 0.00 0.00 57.07 54.95 7i1b s TYR 121 Cb -0.14 -1.64 -0.01 0.00 -0.11 0.00 0.00 41.96 40.06 7i1b s TYR 121 CO -0.03 0.26 0.83 0.42 -1.11 0.00 0.00 175.55 175.92 7i1b s ILE 122 N -2.85 4.87 0.21 2.71 1.01 -0.98 -1.86 121.20 124.32 7i1b s ILE 122 Ca 0.11 1.61 0.04 0.00 0.00 0.00 0.00 60.65 62.41 7i1b s ILE 122 Cb 0.03 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 7i1b s ILE 122 CO 0.06 0.00 -0.04 -0.44 0.00 0.00 0.00 174.94 174.52 7i1b s SER 123 N 1.20 1.94 0.25 3.58 0.01 -0.71 -4.48 113.70 115.48 7i1b s SER 123 Ca 0.37 -1.16 0.01 0.00 1.31 0.00 0.00 55.95 56.49 7i1b s SER 123 Cb -0.16 -0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.00 7i1b s SER 123 CO 0.11 -0.44 0.09 0.42 0.41 0.00 0.00 173.24 173.84 7i1b s THR 124 N -3.34 0.53 -0.20 1.44 -4.23 -0.85 -2.67 115.64 106.33 7i1b s THR 124 Ca 0.25 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.69 7i1b s THR 124 Cb 0.04 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 7i1b s THR 124 CO 0.07 -0.04 0.06 -0.55 -0.54 0.00 0.00 174.62 173.62 7i1b s SER 125 N -3.29 5.47 0.56 3.99 0.15 -1.26 -2.73 113.70 116.58 7i1b s SER 125 Ca 0.37 0.00 0.36 0.00 0.70 0.00 0.00 55.95 57.39 7i1b s SER 125 Cb 0.08 -1.94 1.51 0.00 -1.71 0.00 0.00 66.02 63.95 7i1b s SER 125 CO 0.13 0.13 1.74 -0.61 1.20 0.00 0.00 173.24 175.82 7i1b h GLN 126 N 7.04 0.00 -6.58 5.44 4.15 -1.98 -3.41 115.11 119.77 7i1b h GLN 126 Ca -0.36 0.00 -0.58 0.00 0.77 0.00 0.00 58.65 58.47 7i1b h GLN 126 Cb 1.17 0.00 0.16 0.00 0.21 0.00 0.00 27.48 29.02 7i1b h GLN 126 CO 0.67 0.00 -0.17 0.00 -1.93 0.00 0.00 178.83 177.39 7i1b n ALA 127 N -2.68 -0.65 -1.77 3.38 0.00 -1.26 -4.91 120.51 112.61 7i1b n ALA 127 Ca 0.25 0.06 -0.38 0.00 0.00 0.00 0.00 53.44 53.38 7i1b n ALA 127 Cb 1.30 -1.93 -0.05 0.00 0.00 0.00 0.00 19.45 18.76 7i1b n ALA 127 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 7i1b s GLU 128 N -2.14 4.48 -0.45 0.00 2.02 -1.26 -4.31 118.70 117.04 7i1b s GLU 128 Ca 0.68 1.47 -0.24 0.00 0.02 0.00 0.00 54.97 56.91 7i1b s GLU 128 Cb -0.48 -2.82 0.03 0.00 0.10 0.00 0.00 34.13 30.96 7i1b s GLU 128 CO 0.54 0.16 0.63 0.09 0.02 0.00 0.00 175.26 176.69 7i1b n ASN 129 N 0.54 -7.00 -3.77 -0.19 3.02 -1.11 -5.03 115.26 101.71 7i1b n ASN 129 Ca 0.02 0.24 -0.14 0.00 -0.03 0.00 0.00 54.58 54.67 7i1b n ASN 129 Cb 0.49 -3.95 -0.15 0.00 -0.61 0.00 0.00 39.78 35.56 7i1b n ASN 129 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 7i1b s MET 130 N -2.59 0.02 0.32 3.52 1.75 -1.20 -4.98 119.30 116.13 7i1b s MET 130 Ca 0.29 0.23 -0.29 0.00 -1.25 0.00 0.00 55.69 54.67 7i1b s MET 130 Cb -0.06 -0.19 -0.11 0.00 2.84 0.00 0.00 34.83 37.31 7i1b s MET 130 CO 0.81 -0.15 1.56 -0.35 -0.65 0.00 0.00 175.02 176.24 7i1b n PRO 131 N 4.04 2.69 -1.55 4.11 -0.04 -1.26 -2.55 135.00 140.44 7i1b n PRO 131 Ca -0.25 0.95 -0.32 0.00 -0.04 0.00 0.00 63.50 63.84 7i1b n PRO 131 Cb 0.52 -2.71 0.06 0.00 -0.04 0.00 0.00 33.50 31.33 7i1b n PRO 131 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 7i1b s VAL 132 N -0.39 3.46 0.34 0.52 1.01 -0.54 -4.80 120.40 120.01 7i1b s VAL 132 Ca 0.60 0.56 -0.17 0.00 0.00 0.00 0.00 61.98 62.97 7i1b s VAL 132 Cb -0.49 -3.10 0.06 0.00 0.00 0.00 0.00 36.38 32.85 7i1b s VAL 132 CO 0.54 -0.54 0.84 0.72 0.00 0.00 0.00 175.10 176.66 7i1b s PHE 133 N -2.70 0.10 -0.22 5.22 -0.71 -1.09 -4.86 117.98 113.72 7i1b s PHE 133 Ca 0.63 -0.73 -0.10 0.00 -1.04 0.00 0.00 56.93 55.69 7i1b s PHE 133 Cb -0.18 0.81 -0.05 0.00 -1.21 0.00 0.00 43.02 42.40 7i1b s PHE 133 CO 0.49 -1.44 0.15 -1.17 -1.34 0.00 0.00 175.22 171.91 7i1b s LEU 134 N -3.13 4.16 0.06 -1.99 2.96 -1.26 -1.74 118.68 117.73 7i1b s LEU 134 Ca 0.17 0.18 0.04 0.00 -0.22 0.00 0.00 54.13 54.30 7i1b s LEU 134 Cb -0.05 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 7i1b s LEU 134 CO 0.10 0.12 -0.13 -0.83 -1.32 0.00 0.00 176.35 174.30 7i1b s GLY 135 N 0.70 0.75 -0.89 7.98 0.00 -0.78 -4.61 107.32 110.48 7i1b s GLY 135 Ca 0.08 -0.89 -0.01 0.00 0.00 0.00 0.00 44.72 43.89 7i1b s GLY 135 CO 0.01 -0.91 1.92 0.61 0.00 0.00 0.00 173.10 174.73 7i1b n GLY 136 N 1.49 5.74 2.73 0.20 0.00 -1.26 -2.17 105.19 111.92 7i1b n GLY 136 Ca -0.21 -2.53 -0.30 0.00 0.00 0.00 0.00 46.02 42.99 7i1b n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 7i1b s THR 137 N -4.84 1.36 -0.59 2.61 2.01 -1.26 -4.99 115.64 109.93 7i1b s THR 137 Ca 0.48 -2.36 -0.26 0.00 0.31 0.00 0.00 61.69 59.86 7i1b s THR 137 Cb 0.35 -1.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 7i1b s THR 137 CO -0.31 -0.85 2.14 -0.75 -0.69 0.00 0.00 174.62 174.16 7i1b s LYS 138 N 0.58 2.32 7.96 4.92 2.20 -1.26 -4.62 119.74 131.84 7i1b s LYS 138 Ca 0.16 0.89 0.00 0.00 -0.36 0.00 0.00 55.97 56.66 7i1b s LYS 138 Cb -0.23 -4.54 0.00 0.00 -1.51 0.00 0.00 37.83 31.54 7i1b s LYS 138 CO -0.04 -3.13 0.00 0.41 -0.36 0.00 0.00 175.35 172.23 7i1b n GLY 139 N 5.98 2.72 7.00 5.54 0.00 -1.26 -4.95 105.19 120.22 7i1b n GLY 139 Ca 0.30 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.01 7i1b n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 7i1b n GLY 140 N 0.00 3.98 0.08 -0.02 0.00 -1.26 -2.73 105.19 105.24 7i1b n GLY 140 Ca 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 7i1b n GLY 140 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 7i1b n GLN 141 N 12.78 1.28 -2.50 1.61 0.00 -1.26 -4.97 117.38 124.32 7i1b n GLN 141 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.00 56.65 7i1b n GLN 141 Cb 0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 30.24 28.79 7i1b n GLN 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 7i1b s ASP 142 N -5.08 6.46 -0.66 1.69 1.11 -1.11 -4.87 116.67 114.21 7i1b s ASP 142 Ca -0.10 2.02 -0.21 0.00 0.18 0.00 0.00 52.55 54.44 7i1b s ASP 142 Cb 0.05 -2.58 0.09 0.00 1.07 0.00 0.00 42.92 41.55 7i1b s ASP 142 CO 0.64 -0.70 0.89 -0.63 1.18 0.00 0.00 175.17 176.55 7i1b s ILE 143 N -1.80 4.54 -0.13 0.77 1.09 -1.11 -4.46 121.20 120.11 7i1b s ILE 143 Ca 0.63 -0.71 0.18 0.00 -1.10 0.00 0.00 60.65 59.66 7i1b s ILE 143 Cb -0.20 -4.63 -0.20 0.00 -1.06 0.00 0.00 42.46 36.38 7i1b s ILE 143 CO 0.25 -1.35 0.60 0.35 -0.10 0.00 0.00 174.94 174.69 7i1b n THR 144 N 5.74 0.97 -1.20 2.92 -2.24 -1.26 -2.00 114.28 117.21 7i1b n THR 144 Ca -0.03 -0.68 -0.30 0.00 -2.27 0.00 0.00 64.05 60.77 7i1b n THR 144 Cb 0.45 -0.51 0.13 0.00 -2.10 0.00 0.00 70.33 68.30 7i1b n THR 144 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 7i1b s ASP 145 N -5.44 3.58 0.24 3.42 1.47 -1.26 -4.60 116.67 114.07 7i1b s ASP 145 Ca -0.05 1.54 -0.06 0.00 1.18 0.00 0.00 52.55 55.15 7i1b s ASP 145 Cb 0.09 -2.22 0.03 0.00 -0.34 0.00 0.00 42.92 40.48 7i1b s ASP 145 CO 0.83 -2.58 0.43 0.49 0.68 0.00 0.00 175.17 175.03 7i1b n PHE 146 N -3.85 -1.57 -3.54 2.11 3.72 0.54 -4.50 117.46 110.37 7i1b n PHE 146 Ca 0.07 -1.29 -0.09 0.00 -0.05 0.00 0.00 57.45 56.09 7i1b n PHE 146 Cb 0.55 0.50 -0.09 0.00 -0.94 0.00 0.00 39.48 39.49 7i1b n PHE 146 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 7i1b s THR 147 N -2.53 -0.60 0.22 4.37 -4.23 -0.42 -1.02 115.64 111.44 7i1b s THR 147 Ca 0.13 0.09 -0.02 0.00 -1.18 0.00 0.00 61.69 60.71 7i1b s THR 147 Cb -0.02 -0.69 -0.05 0.00 1.34 0.00 0.00 72.50 73.08 7i1b s THR 147 CO 0.10 0.00 0.44 -0.32 -0.54 0.00 0.00 174.62 174.30 7i1b s MET 148 N 2.56 3.56 -0.12 3.99 1.75 -1.26 -1.92 119.30 127.86 7i1b s MET 148 Ca 0.04 -0.23 -0.07 0.00 -1.25 0.00 0.00 55.69 54.18 7i1b s MET 148 Cb -0.13 -2.78 0.04 0.00 2.84 0.00 0.00 34.83 34.80 7i1b s MET 148 CO -0.13 0.35 0.29 -1.14 -0.65 0.00 0.00 175.02 173.74 7i1b s GLN 149 N -3.37 0.28 0.93 4.11 0.74 -1.04 -5.00 119.66 116.31 7i1b s GLN 149 Ca 0.40 0.55 -0.10 0.00 0.05 0.00 0.00 55.36 56.26 7i1b s GLN 149 Cb -0.11 -0.03 0.16 0.00 1.10 0.00 0.00 33.01 34.13 7i1b s GLN 149 CO 0.29 -0.13 1.14 -0.06 -0.55 0.00 0.00 175.29 175.98 7i1b s PHE 150 N 1.02 1.57 0.09 1.67 0.40 -1.26 -2.00 117.98 119.46 7i1b s PHE 150 Ca -0.07 1.77 0.04 0.00 -0.60 0.00 0.00 56.93 58.08 7i1b s PHE 150 Cb -0.08 -3.34 -0.03 0.00 0.51 0.00 0.00 43.02 40.08 7i1b s PHE 150 CO -0.07 -2.91 -0.12 0.14 0.70 0.00 0.00 175.22 172.96 7i1b s VAL 151 N -2.63 1.03 0.86 -0.44 -7.23 -1.21 -4.75 120.40 106.04 7i1b s VAL 151 Ca 0.67 -1.55 -0.12 0.00 -1.81 0.00 0.00 61.98 59.17 7i1b s VAL 151 Cb -0.23 -1.28 0.11 0.00 0.56 0.00 0.00 36.38 35.54 7i1b s VAL 151 CO 0.58 -0.45 1.12 -0.94 -0.31 0.00 0.00 175.10 175.10 7i1b s SER 152 N -2.24 3.91 0.00 4.85 1.04 -1.26 -4.93 113.70 115.07 7i1b s SER 152 Ca 0.04 1.12 0.00 0.00 0.48 0.00 0.00 55.95 57.59 7i1b s SER 152 Cb -0.05 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.30 7i1b s SER 152 CO 0.01 -2.31 0.00 -0.24 0.98 0.00 0.00 173.24 171.68