#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1a s PRO 6 N 0.00 2.92 -0.27 1.96 0.04 -1.26 -4.44 135.00 133.95 1i1a s PRO 6 Ca 0.00 -1.03 -0.06 0.00 0.04 0.00 0.00 61.00 59.95 1i1a s PRO 6 Cb 0.00 -2.57 -0.00 0.00 0.04 0.00 0.00 34.50 31.97 1i1a s PRO 6 CO 0.00 0.41 0.04 -1.17 0.04 0.00 0.00 177.00 176.32 1i1a s LEU 7 N -3.74 3.49 -0.08 -3.56 2.96 0.02 -1.91 118.68 115.87 1i1a s LEU 7 Ca 0.33 -0.56 -0.00 0.00 -0.22 0.00 0.00 54.13 53.67 1i1a s LEU 7 Cb -0.08 -1.84 0.02 0.00 0.50 0.00 0.00 46.19 44.80 1i1a s LEU 7 CO 0.25 -0.12 -0.04 -0.32 -1.32 0.00 0.00 176.35 174.80 1i1a s MET 8 N 1.50 1.00 -0.16 1.98 1.75 0.54 -1.00 119.30 124.90 1i1a s MET 8 Ca 0.04 -0.08 -0.14 0.00 -1.25 0.00 0.00 55.69 54.26 1i1a s MET 8 Cb -0.16 -1.15 -0.05 0.00 2.84 0.00 0.00 34.83 36.31 1i1a s MET 8 CO 0.01 -0.22 0.30 0.71 -0.65 0.00 0.00 175.02 175.17 1i1a s TYR 9 N 1.57 3.46 -0.37 4.11 1.51 0.34 -0.92 117.35 127.05 1i1a s TYR 9 Ca 0.00 0.60 -0.08 0.00 -1.01 0.00 0.00 57.07 56.58 1i1a s TYR 9 Cb -0.13 -2.35 0.05 0.00 -0.11 0.00 0.00 41.96 39.42 1i1a s TYR 9 CO -0.04 0.22 0.17 -1.01 -1.11 0.00 0.00 175.55 173.78 1i1a s HIS 10 N 0.52 3.29 0.05 2.71 3.76 -0.19 -1.82 115.29 123.61 1i1a s HIS 10 Ca 0.17 -1.44 0.02 0.00 -0.15 0.00 0.00 55.06 53.65 1i1a s HIS 10 Cb -0.13 -2.54 -0.04 0.00 1.11 0.00 0.00 32.58 30.98 1i1a s HIS 10 CO 0.04 -0.77 0.09 -0.51 -0.85 0.00 0.00 174.74 172.74 1i1a s LEU 11 N 1.42 3.87 -0.10 0.89 1.43 -0.93 -1.94 118.68 123.31 1i1a s LEU 11 Ca 0.01 0.05 -0.28 0.00 -1.03 0.00 0.00 54.13 52.88 1i1a s LEU 11 Cb -0.21 -2.46 0.07 0.00 0.03 0.00 0.00 46.19 43.62 1i1a s LEU 11 CO 0.03 0.20 0.65 0.00 0.23 0.00 0.00 176.35 177.46 1i1a s ALA 12 N -1.34 -1.68 -0.02 4.21 0.00 -0.84 -2.22 121.76 119.87 1i1a s ALA 12 Ca 0.28 1.40 -0.04 0.00 0.00 0.00 0.00 51.96 53.60 1i1a s ALA 12 Cb -0.12 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.72 1i1a s ALA 12 CO 0.20 -0.35 0.09 0.00 0.00 0.00 0.00 175.76 175.71 1i1a s ALA 13 N -0.81 -0.22 0.28 0.00 0.00 0.07 -1.41 121.76 119.66 1i1a s ALA 13 Ca -0.08 0.00 0.02 0.00 0.00 0.00 0.00 51.96 51.90 1i1a s ALA 13 Cb -0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 1i1a s ALA 13 CO 0.07 -0.12 0.12 0.14 0.00 0.00 0.00 175.76 175.97 1i1a s VAL 14 N -0.69 0.46 -0.11 0.00 -7.23 -0.22 -0.93 120.40 111.68 1i1a s VAL 14 Ca -0.08 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 57.96 1i1a s VAL 14 Cb -0.05 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 1i1a s VAL 14 CO 0.00 0.00 -0.26 -1.20 -0.31 0.00 0.00 175.10 173.34 1i1a n SER 15 N -0.64 1.70 -4.55 4.85 7.64 -1.08 -4.84 113.62 116.70 1i1a n SER 15 Ca 0.00 0.28 -0.35 0.00 1.01 0.00 0.00 58.87 59.81 1i1a n SER 15 Cb 0.66 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 63.19 1i1a n SER 15 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1i1a n ASP 16 N -4.18 2.30 -1.33 6.43 2.03 -1.26 -4.82 116.55 115.72 1i1a n ASP 16 Ca -0.12 -0.55 0.05 0.00 0.52 0.00 0.00 54.79 54.69 1i1a n ASP 16 Cb 0.41 -1.59 0.26 0.00 -0.72 0.00 0.00 41.12 39.48 1i1a n ASP 16 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1i1a n LEU 17 N 16.09 3.87 0.21 -2.67 4.77 -1.26 -4.51 117.00 133.49 1i1a n LEU 17 Ca 0.37 -1.96 0.13 0.00 -0.03 0.00 0.00 56.01 54.53 1i1a n LEU 17 Cb 0.55 -0.56 0.71 0.00 -2.33 0.00 0.00 43.42 41.79 1i1a n LEU 17 CO 0.71 0.54 0.91 0.28 -1.33 0.00 0.00 177.39 178.50 1i1a h SER 18 N 2.76 0.00 0.00 -1.43 0.02 -1.95 -2.90 113.55 110.05 1i1a h SER 18 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1i1a h SER 18 Cb 1.32 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 1i1a h SER 18 CO 0.26 0.00 -0.13 0.35 -1.14 0.00 0.00 176.83 176.17 1i1a n THR 19 N -2.44 1.81 -0.80 -2.27 -2.24 -1.26 -5.00 114.28 102.07 1i1a n THR 19 Ca -0.02 -2.28 0.00 0.00 -2.27 0.00 0.00 64.05 59.48 1i1a n THR 19 Cb 0.08 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 1i1a n THR 19 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i1a n GLY 20 N -1.28 0.83 3.74 3.38 0.00 -1.09 -5.04 105.19 105.73 1i1a n GLY 20 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1i1a n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i1a s LEU 21 N 0.00 3.28 0.00 0.99 1.02 -1.26 -5.01 118.68 117.69 1i1a s LEU 21 Ca 0.00 2.16 0.00 0.00 0.02 0.00 0.00 54.13 56.31 1i1a s LEU 21 Cb 0.00 -4.57 0.00 0.00 0.02 0.00 0.00 46.19 41.64 1i1a s LEU 21 CO 0.00 -2.08 0.00 -0.81 0.02 0.00 0.00 176.35 173.48 1i1a n PRO 22 N -2.81 -0.26 -0.04 1.29 -0.04 -1.26 -4.92 135.00 126.96 1i1a n PRO 22 Ca 0.12 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.48 1i1a n PRO 22 Cb 0.51 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.83 1i1a n PRO 22 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1i1a n SER 23 N -2.65 0.73 -3.72 3.54 7.64 -1.26 -4.68 113.62 113.22 1i1a n SER 23 Ca 0.00 0.29 -0.12 0.00 1.01 0.00 0.00 58.87 60.05 1i1a n SER 23 Cb 0.00 0.16 -0.12 0.00 -1.01 0.00 0.00 64.21 63.25 1i1a n SER 23 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1i1a s PHE 24 N -2.57 -0.44 0.24 1.43 5.36 -1.26 -1.05 117.98 119.70 1i1a s PHE 24 Ca -0.08 1.00 -0.03 0.00 -0.96 0.00 0.00 56.93 56.86 1i1a s PHE 24 Cb 0.07 0.15 -0.03 0.00 -0.34 0.00 0.00 43.02 42.88 1i1a s PHE 24 CO 0.82 -0.26 0.28 1.67 -1.46 0.00 0.00 175.22 176.27 1i1a s TRP 25 N 1.02 1.02 0.15 10.12 -2.14 -0.50 -1.28 118.94 127.33 1i1a s TRP 25 Ca -0.07 -1.24 -0.21 0.00 2.66 0.00 0.00 56.10 57.24 1i1a s TRP 25 Cb -0.07 -0.34 0.06 0.00 -3.10 0.00 0.00 33.47 30.02 1i1a s TRP 25 CO -0.08 -0.81 0.54 0.00 -2.66 0.00 0.00 176.95 173.94 1i1a s ALA 26 N -3.91 -1.38 -0.03 2.67 0.00 0.14 -1.99 121.76 117.25 1i1a s ALA 26 Ca 0.34 0.31 -0.02 0.00 0.00 0.00 0.00 51.96 52.58 1i1a s ALA 26 Cb 0.04 0.83 0.01 0.00 0.00 0.00 0.00 23.12 24.00 1i1a s ALA 26 CO 0.14 -0.74 0.08 0.95 0.00 0.00 0.00 175.76 176.19 1i1a s THR 27 N -3.77 -0.01 -0.15 0.00 -4.23 -0.82 -0.94 115.64 105.72 1i1a s THR 27 Ca 0.02 0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 60.47 1i1a s THR 27 Cb -0.00 -0.12 -0.04 0.00 1.34 0.00 0.00 72.50 73.67 1i1a s THR 27 CO -0.12 0.01 0.14 -0.83 -0.54 0.00 0.00 174.62 173.28 1i1a s GLY 28 N 0.18 2.12 -0.06 3.99 0.00 -0.61 -1.02 107.32 111.93 1i1a s GLY 28 Ca -0.01 -0.65 0.02 0.00 0.00 0.00 0.00 44.72 44.08 1i1a s GLY 28 CO -0.01 -0.14 -0.12 -0.98 0.00 0.00 0.00 173.10 171.85 1i1a s TRP 29 N -0.43 1.37 -0.24 1.90 0.52 -0.09 -1.16 118.94 120.80 1i1a s TRP 29 Ca 0.12 -0.47 -0.04 0.00 0.02 0.00 0.00 56.10 55.73 1i1a s TRP 29 Cb -0.12 -1.00 -0.00 0.00 -1.15 0.00 0.00 33.47 31.20 1i1a s TRP 29 CO 0.02 -0.23 -0.02 -0.51 0.02 0.00 0.00 176.95 176.23 1i1a s LEU 30 N 0.55 3.15 0.00 2.99 1.43 -0.41 -0.34 118.68 126.06 1i1a s LEU 30 Ca -0.12 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 1i1a s LEU 30 Cb -0.14 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1i1a s LEU 30 CO 0.03 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.15 1i1a n GLY 31 N 4.80 2.15 0.01 -3.19 0.00 -0.80 -0.20 105.19 107.95 1i1a n GLY 31 Ca -0.17 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 45.72 1i1a n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1a n ALA 32 N 7.03 2.60 -2.79 4.61 0.00 -1.26 -4.84 120.51 125.86 1i1a n ALA 32 Ca 0.00 -0.11 -0.32 0.00 0.00 0.00 0.00 53.44 53.01 1i1a n ALA 32 Cb 0.00 -1.28 -0.16 0.00 0.00 0.00 0.00 19.45 18.02 1i1a n ALA 32 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1i1a s GLN 33 N -2.00 2.70 0.30 0.00 -2.07 0.72 -5.10 119.66 114.21 1i1a s GLN 33 Ca 0.26 -0.85 -0.29 0.00 -1.82 0.00 0.00 55.36 52.66 1i1a s GLN 33 Cb 0.12 -2.26 -0.09 0.00 -1.09 0.00 0.00 33.01 29.68 1i1a s GLN 33 CO 0.20 0.37 1.11 -1.14 -1.32 0.00 0.00 175.29 174.51 1i1a s GLN 34 N -0.12 4.57 0.00 9.60 0.74 -1.26 -1.28 119.66 131.90 1i1a s GLN 34 Ca -0.04 1.80 0.00 0.00 0.05 0.00 0.00 55.36 57.17 1i1a s GLN 34 Cb -0.14 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 30.86 1i1a s GLN 34 CO 0.04 0.15 0.12 2.48 -0.55 0.00 0.00 175.29 177.53 1i1a n TYR 35 N 1.02 0.00 -3.82 1.67 4.11 -0.31 -4.74 117.16 115.10 1i1a n TYR 35 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.78 1i1a n TYR 35 Cb 0.45 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.71 1i1a n TYR 35 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.86 175.69 1i1a s LEU 36 N -0.15 1.20 0.05 -3.48 0.20 -1.16 -1.79 118.68 113.55 1i1a s LEU 36 Ca 0.00 -0.21 -0.11 0.00 0.69 0.00 0.00 54.13 54.50 1i1a s LEU 36 Cb 0.00 1.04 0.01 0.00 -0.43 0.00 0.00 46.19 46.81 1i1a s LEU 36 CO 0.00 -0.51 0.23 0.28 -0.29 0.00 0.00 176.35 176.07 1i1a s THR 37 N -2.07 0.10 -0.16 3.68 -1.32 -0.90 -1.57 115.64 113.40 1i1a s THR 37 Ca -0.09 -0.85 -0.30 0.00 -1.21 0.00 0.00 61.69 59.24 1i1a s THR 37 Cb -0.03 -0.98 0.13 0.00 -1.51 0.00 0.00 72.50 70.12 1i1a s THR 37 CO -0.01 -0.47 1.03 -0.47 -2.21 0.00 0.00 174.62 172.49 1i1a s TYR 38 N -2.74 -0.33 0.23 9.09 5.04 -0.12 -2.09 117.35 126.44 1i1a s TYR 38 Ca -0.04 0.53 -0.22 0.00 -2.44 0.00 0.00 57.07 54.91 1i1a s TYR 38 Cb -0.00 0.46 0.04 0.00 0.35 0.00 0.00 41.96 42.81 1i1a s TYR 38 CO -0.05 -0.32 0.69 0.54 -1.34 0.00 0.00 175.55 175.08 1i1a s ASN 39 N -1.22 -0.36 0.55 4.32 6.03 -1.26 0.23 114.94 123.23 1i1a s ASN 39 Ca 0.00 -0.40 0.33 0.00 -1.03 0.00 0.00 52.86 51.77 1i1a s ASN 39 Cb -0.01 0.67 1.32 0.00 -3.03 0.00 0.00 41.25 40.21 1i1a s ASN 39 CO -0.00 -1.20 1.97 -0.55 -2.03 0.00 0.00 177.10 175.29 1i1a h ASN 40 N 2.00 0.00 0.01 3.54 -1.07 -1.60 -2.51 115.58 115.95 1i1a h ASN 40 Ca -0.24 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.13 1i1a h ASN 40 Cb 1.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.52 1i1a h ASN 40 CO 0.28 0.00 -0.00 -0.07 0.07 0.00 0.00 177.43 177.71 1i1a h LEU 41 N 0.00 -0.01 -1.28 6.14 3.38 -1.96 -3.27 115.31 118.31 1i1a h LEU 41 Ca -0.00 -0.82 -0.02 0.00 0.09 0.00 0.00 57.88 57.13 1i1a h LEU 41 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1i1a h LEU 41 CO 0.00 0.88 -0.10 0.03 0.09 0.00 0.00 178.44 179.34 1i1a h ARG 42 N -0.95 0.00 -2.27 1.13 2.47 -1.99 -3.46 114.38 109.30 1i1a h ARG 42 Ca -0.00 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.38 1i1a h ARG 42 Cb 0.83 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.07 1i1a h ARG 42 CO 0.00 0.10 -0.37 1.04 0.56 0.00 0.00 179.97 181.30 1i1a n GLN 43 N -3.24 -1.65 -3.70 0.04 1.13 -0.95 -4.95 117.38 104.07 1i1a n GLN 43 Ca 0.00 0.90 -0.14 0.00 -1.94 0.00 0.00 57.00 55.83 1i1a n GLN 43 Cb 0.36 -5.37 -0.08 0.00 0.11 0.00 0.00 30.24 25.26 1i1a n GLN 43 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1i1a s GLU 44 N -4.21 0.71 -0.23 -1.09 2.12 -1.26 -5.04 118.70 109.70 1i1a s GLU 44 Ca 0.00 0.13 -0.17 0.00 0.36 0.00 0.00 54.97 55.29 1i1a s GLU 44 Cb 0.00 0.33 -0.03 0.00 0.26 0.00 0.00 34.13 34.68 1i1a s GLU 44 CO 0.00 -0.18 0.44 0.00 -0.54 0.00 0.00 175.26 174.98 1i1a s ALA 45 N -0.86 3.57 0.12 6.30 0.00 -1.26 -4.48 121.76 125.14 1i1a s ALA 45 Ca -0.09 -0.59 0.07 0.00 0.00 0.00 0.00 51.96 51.36 1i1a s ALA 45 Cb -0.04 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 1i1a s ALA 45 CO 0.04 -0.51 -0.18 -0.51 0.00 0.00 0.00 175.76 174.60 1i1a s ASP 46 N 1.31 2.37 0.33 0.00 1.01 -0.89 -4.66 116.67 116.14 1i1a s ASP 46 Ca 0.20 -0.74 -0.29 0.00 0.71 0.00 0.00 52.55 52.43 1i1a s ASP 46 Cb -0.15 -0.12 -0.10 0.00 1.01 0.00 0.00 42.92 43.55 1i1a s ASP 46 CO 0.09 -0.02 1.30 -2.16 0.21 0.00 0.00 175.17 174.60 1i1a s PRO 47 N -2.23 4.36 -0.14 8.23 0.04 -1.26 -2.11 135.00 141.89 1i1a s PRO 47 Ca 0.08 2.21 -0.11 0.00 0.04 0.00 0.00 61.00 63.22 1i1a s PRO 47 Cb -0.08 -3.07 -0.05 0.00 0.04 0.00 0.00 34.50 31.34 1i1a s PRO 47 CO 0.04 -0.18 0.21 0.00 0.04 0.00 0.00 177.00 177.11 1i1a n GLY 49 N 2.79 0.13 0.24 0.00 0.00 -1.26 0.32 105.19 107.41 1i1a n GLY 49 Ca -0.16 0.03 0.01 0.00 0.00 0.00 0.00 46.02 45.90 1i1a n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1a h ALA 50 N 0.00 1.70 0.00 4.61 0.00 -1.94 0.31 119.26 123.94 1i1a h ALA 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1i1a h ALA 50 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1i1a h ALA 50 CO 0.00 -0.70 -1.31 0.91 0.00 0.00 0.00 179.25 178.15 1i1a n TRP 51 N -2.10 0.46 -0.35 0.00 7.02 0.15 -4.09 117.44 118.53 1i1a n TRP 51 Ca -0.00 0.13 0.14 0.00 -1.02 0.00 0.00 57.50 56.76 1i1a n TRP 51 Cb 0.84 -0.66 0.34 0.00 -2.42 0.00 0.00 31.31 29.41 1i1a n TRP 51 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1i1a h ILE 52 N 0.00 0.66 -0.01 -0.99 2.04 -0.45 -0.51 117.51 118.25 1i1a h ILE 52 Ca 0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1i1a h ILE 52 Cb 0.91 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1i1a h ILE 52 CO 0.00 0.13 -0.08 0.79 0.00 0.00 0.00 178.15 178.99 1i1a n TRP 53 N -4.80 0.00 -0.94 1.37 7.02 -1.26 -4.91 117.44 113.93 1i1a n TRP 53 Ca 0.24 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.41 1i1a n TRP 53 Cb 0.62 -0.07 0.14 0.00 -2.42 0.00 0.00 31.31 29.58 1i1a n TRP 53 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 1i1a s GLU 54 N -2.21 1.46 -0.31 -0.99 2.12 -0.20 -4.96 118.70 113.61 1i1a s GLU 54 Ca 0.35 1.51 -0.09 0.00 0.36 0.00 0.00 54.97 57.09 1i1a s GLU 54 Cb 0.21 -1.78 -0.01 0.00 0.26 0.00 0.00 34.13 32.81 1i1a s GLU 54 CO 0.41 -2.29 0.15 -0.80 -0.54 0.00 0.00 175.26 172.18 1i1a s ASN 55 N -2.71 5.51 0.41 -1.70 -0.87 -1.26 -5.08 114.94 109.25 1i1a s ASN 55 Ca 0.67 -0.54 0.04 0.00 -1.57 0.00 0.00 52.86 51.45 1i1a s ASN 55 Cb -0.23 -1.99 -0.04 0.00 -0.02 0.00 0.00 41.25 38.97 1i1a s ASN 55 CO 0.55 -0.20 0.06 -1.10 -2.57 0.00 0.00 177.10 173.84 1i1a s GLN 56 N 1.60 1.93 0.84 -0.60 -1.52 -1.26 -4.92 119.66 115.73 1i1a s GLN 56 Ca 0.04 -2.16 -0.11 0.00 -1.95 0.00 0.00 55.36 51.18 1i1a s GLN 56 Cb -0.17 -1.10 0.09 0.00 -0.22 0.00 0.00 33.01 31.62 1i1a s GLN 56 CO 0.06 -0.30 1.09 0.14 -0.25 0.00 0.00 175.29 176.03 1i1a s VAL 57 N -3.06 2.97 0.34 1.09 -7.23 -1.26 -4.94 120.40 108.31 1i1a s VAL 57 Ca 0.24 0.32 0.04 0.00 -1.81 0.00 0.00 61.98 60.77 1i1a s VAL 57 Cb 0.05 -2.86 0.16 0.00 0.56 0.00 0.00 36.38 34.29 1i1a s VAL 57 CO 0.12 -0.41 1.88 0.77 -0.31 0.00 0.00 175.10 177.15 1i1a h SER 58 N -1.32 0.50 -0.41 4.85 4.64 -2.05 -2.96 113.55 116.81 1i1a h SER 58 Ca -0.47 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1i1a h SER 58 Cb 1.26 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1i1a h SER 58 CO 0.55 0.56 0.00 -2.67 -0.87 0.00 0.00 176.83 174.40 1i1a n TRP 59 N -4.29 0.53 0.13 4.77 4.27 -1.26 -4.51 117.44 117.08 1i1a n TRP 59 Ca 0.02 -0.26 -0.14 0.00 -3.89 0.00 0.00 57.50 53.22 1i1a n TRP 59 Cb 0.24 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.11 1i1a n TRP 59 CO 0.00 0.00 0.00 -0.92 -2.29 0.00 0.00 177.69 174.48 1i1a h TYR 60 N 3.52 -1.16 0.00 -2.67 5.03 -1.89 0.14 116.97 119.94 1i1a h TYR 60 Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1i1a h TYR 60 Cb 0.79 0.49 0.00 0.00 1.55 0.00 0.00 36.73 39.56 1i1a h TYR 60 CO 0.26 -0.52 0.00 -1.49 -1.32 0.00 0.00 178.16 175.10 1i1a h TRP 61 N -0.66 0.00 0.01 -3.82 4.06 -1.83 -1.44 115.95 112.28 1i1a h TRP 61 Ca 0.02 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.97 1i1a h TRP 61 Cb 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.84 1i1a h TRP 61 CO -0.35 0.00 -0.01 0.93 -3.56 0.00 0.00 178.44 175.45 1i1a h GLU 62 N 0.00 -0.02 -0.78 0.49 5.08 -1.55 -3.00 114.58 114.79 1i1a h GLU 62 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i1a h GLU 62 Cb 0.56 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1i1a h GLU 62 CO 0.00 0.36 0.50 -0.22 -1.00 0.00 0.00 179.01 178.65 1i1a h LYS 63 N -0.40 1.04 -0.31 2.33 3.64 -0.21 -2.09 116.57 120.58 1i1a h LYS 63 Ca -0.00 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1i1a h LYS 63 Cb 0.38 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1i1a h LYS 63 CO 0.00 0.71 0.18 0.93 -2.27 0.00 0.00 179.45 179.00 1i1a h GLU 64 N 1.06 0.43 -0.50 1.90 4.39 -1.33 -0.62 114.58 119.91 1i1a h GLU 64 Ca 0.28 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 1i1a h GLU 64 Cb -0.09 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 1i1a h GLU 64 CO -0.06 0.35 0.27 1.15 -1.16 0.00 0.00 179.01 179.56 1i1a h THR 65 N 0.39 1.18 -0.30 1.13 2.02 -1.35 -0.71 112.91 115.27 1i1a h THR 65 Ca 0.11 -0.46 -0.12 0.00 0.77 0.00 0.00 66.41 66.71 1i1a h THR 65 Cb 0.04 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1i1a h THR 65 CO -0.02 0.19 -0.30 0.00 0.37 0.00 0.00 175.52 175.76 1i1a h THR 66 N 0.67 1.28 0.00 3.16 1.03 -1.30 -0.02 112.91 117.73 1i1a h THR 66 Ca 0.18 -1.41 -0.03 0.00 -0.01 0.00 0.00 66.41 65.14 1i1a h THR 66 Cb 0.06 1.38 -0.00 0.00 -1.07 0.00 0.00 68.15 68.52 1i1a h THR 66 CO -0.03 0.46 -0.13 0.44 -0.01 0.00 0.00 175.52 176.25 1i1a h ASP 67 N 0.53 0.00 1.03 0.00 3.32 -0.76 -2.79 116.42 117.75 1i1a h ASP 67 Ca 0.06 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 1i1a h ASP 67 Cb 0.79 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 1i1a h ASP 67 CO 0.06 0.13 -1.03 -0.07 -1.72 0.00 0.00 179.24 176.62 1i1a h LEU 68 N 0.00 0.00 -0.92 1.55 3.38 -0.68 -3.22 115.31 115.42 1i1a h LEU 68 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1i1a h LEU 68 Cb 0.66 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1i1a h LEU 68 CO 0.02 0.35 -0.16 0.11 0.09 0.00 0.00 178.44 178.85 1i1a h LYS 69 N 0.00 0.61 0.95 1.13 1.57 -0.74 -0.05 116.57 120.04 1i1a h LYS 69 Ca -0.07 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.46 1i1a h LYS 69 Cb 1.33 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.60 1i1a h LYS 69 CO 0.03 0.74 -0.45 0.77 -0.57 0.00 0.00 179.45 179.97 1i1a h SER 70 N 0.55 -1.08 -0.85 0.86 0.02 -1.58 -2.26 113.55 109.22 1i1a h SER 70 Ca 0.09 0.04 0.13 0.00 -0.84 0.00 0.00 61.79 61.21 1i1a h SER 70 Cb 0.59 0.28 -0.06 0.00 0.14 0.00 0.00 62.40 63.34 1i1a h SER 70 CO 0.04 -0.77 0.55 0.11 -1.14 0.00 0.00 176.83 175.62 1i1a h LYS 71 N -1.28 0.66 -0.26 3.45 1.57 -1.55 0.14 116.57 119.30 1i1a h LYS 71 Ca -0.13 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1i1a h LYS 71 Cb 0.97 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.09 1i1a h LYS 71 CO 0.21 0.44 -0.02 1.49 -0.57 0.00 0.00 179.45 181.01 1i1a h GLU 72 N 0.68 0.06 -0.41 3.15 4.81 -0.69 -0.49 114.58 121.69 1i1a h GLU 72 Ca 0.42 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.62 1i1a h GLU 72 Cb 0.65 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1i1a h GLU 72 CO -0.18 0.04 0.17 -0.56 -0.73 0.00 0.00 179.01 177.75 1i1a h GLN 73 N 0.06 0.62 -0.36 1.92 -0.00 -0.43 0.36 115.11 117.27 1i1a h GLN 73 Ca 0.13 -0.11 0.01 0.00 -0.00 0.00 0.00 58.65 58.68 1i1a h GLN 73 Cb 0.17 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.48 27.53 1i1a h GLN 73 CO -0.23 0.58 0.24 -0.07 -0.00 0.00 0.00 178.83 179.35 1i1a h LEU 74 N 0.52 0.38 0.12 0.06 3.38 -0.80 -0.49 115.31 118.48 1i1a h LEU 74 Ca 0.14 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 1i1a h LEU 74 Cb 0.19 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 40.87 1i1a h LEU 74 CO -0.01 0.27 -0.80 -0.26 0.09 0.00 0.00 178.44 177.73 1i1a h PHE 75 N 0.44 0.57 -0.78 1.13 -1.00 -0.36 -2.79 116.94 114.15 1i1a h PHE 75 Ca 0.14 -0.40 0.01 0.00 2.81 0.00 0.00 57.97 60.53 1i1a h PHE 75 Cb 0.02 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 39.51 1i1a h PHE 75 CO -0.00 1.29 0.51 -0.07 -1.61 0.00 0.00 178.31 178.43 1i1a h LEU 76 N -0.30 0.90 0.77 1.54 3.38 -0.02 0.42 115.31 122.00 1i1a h LEU 76 Ca -0.13 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1i1a h LEU 76 Cb 1.60 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 42.13 1i1a h LEU 76 CO 0.15 0.66 -0.37 -0.33 0.09 0.00 0.00 178.44 178.64 1i1a h GLU 77 N 1.06 -1.00 -0.81 1.13 5.08 -1.17 -2.30 114.58 116.57 1i1a h GLU 77 Ca 0.28 0.07 0.15 0.00 -1.00 0.00 0.00 59.36 58.87 1i1a h GLU 77 Cb -0.11 0.23 -0.15 0.00 0.50 0.00 0.00 28.75 29.22 1i1a h GLU 77 CO -0.06 -0.67 -0.25 0.00 -1.00 0.00 0.00 179.01 177.04 1i1a h ALA 78 N -1.46 0.40 -0.37 3.43 0.00 -1.18 0.11 119.26 120.20 1i1a h ALA 78 Ca -0.11 0.29 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1i1a h ALA 78 Cb 0.79 0.70 -0.08 0.00 0.00 0.00 0.00 17.79 19.20 1i1a h ALA 78 CO 0.17 -0.47 -0.20 0.82 0.00 0.00 0.00 179.25 179.57 1i1a h ILE 79 N -0.03 0.42 -0.21 0.00 1.08 -0.73 -0.72 117.51 117.33 1i1a h ILE 79 Ca 0.36 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.75 1i1a h ILE 79 Cb 0.60 0.42 -0.00 0.00 -3.07 0.00 0.00 36.82 34.76 1i1a h ILE 79 CO -0.84 0.00 -0.21 0.08 -0.69 0.00 0.00 178.15 176.49 1i1a h ARG 80 N -0.14 0.52 0.00 2.37 0.11 -0.46 0.82 114.38 117.61 1i1a h ARG 80 Ca 0.18 -0.28 0.00 0.00 0.10 0.00 0.00 59.98 59.99 1i1a h ARG 80 Cb 0.43 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.52 1i1a h ARG 80 CO -0.46 0.86 0.00 1.15 0.10 0.00 0.00 179.97 181.62 1i1a h THR 81 N 0.20 0.00 0.01 0.08 2.02 -0.52 -2.08 112.91 112.62 1i1a h THR 81 Ca 0.03 -0.06 -0.42 0.00 0.77 0.00 0.00 66.41 66.74 1i1a h THR 81 Cb 0.76 0.66 -0.07 0.00 -1.74 0.00 0.00 68.15 67.77 1i1a h THR 81 CO 0.05 0.00 -2.43 -0.11 0.37 0.00 0.00 175.52 173.41 1i1a n LEU 82 N -2.37 2.43 0.10 2.58 0.00 -0.31 -3.64 117.00 115.79 1i1a n LEU 82 Ca -0.01 0.13 0.06 0.00 0.00 0.00 0.00 56.01 56.19 1i1a n LEU 82 Cb 0.08 -0.88 0.34 0.00 0.00 0.00 0.00 43.42 42.95 1i1a n LEU 82 CO 0.13 0.73 0.69 1.21 0.00 0.00 0.00 177.39 180.16 1i1a n GLU 83 N -3.79 0.08 -0.09 1.96 2.13 0.27 -0.49 120.64 120.71 1i1a n GLU 83 Ca -0.49 0.57 -0.20 0.00 0.66 0.00 0.00 57.16 57.70 1i1a n GLU 83 Cb 0.93 -1.79 -0.12 0.00 0.27 0.00 0.00 31.44 30.72 1i1a n GLU 83 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1i1a n ASN 84 N -1.93 2.02 0.08 4.31 5.03 -0.84 -4.39 115.26 119.54 1i1a n ASN 84 Ca -0.01 0.04 -0.06 0.00 0.87 0.00 0.00 54.58 55.42 1i1a n ASN 84 Cb 0.05 -0.61 -0.03 0.00 -1.02 0.00 0.00 39.78 38.17 1i1a n ASN 84 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 1i1a h GLN 85 N -0.12 0.03 -6.39 3.52 4.20 -1.44 -3.46 115.11 111.45 1i1a h GLN 85 Ca -0.54 -0.04 -0.60 0.00 0.06 0.00 0.00 58.65 57.53 1i1a h GLN 85 Cb 1.88 0.01 -0.23 0.00 0.30 0.00 0.00 27.48 29.45 1i1a h GLN 85 CO -0.08 0.90 -0.84 0.42 -0.67 0.00 0.00 178.83 178.56 1i1a s ILE 86 N -2.99 1.88 0.02 2.54 1.01 0.36 -5.10 121.20 118.91 1i1a s ILE 86 Ca -0.00 -1.55 -0.22 0.00 0.00 0.00 0.00 60.65 58.88 1i1a s ILE 86 Cb 0.11 -1.68 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 1i1a s ILE 86 CO 0.81 0.04 0.65 0.21 0.00 0.00 0.00 174.94 176.65 1i1a s ASN 87 N -1.81 7.06 0.00 3.58 2.47 -1.26 -4.49 114.94 120.48 1i1a s ASN 87 Ca 0.09 1.26 0.00 0.00 0.42 0.00 0.00 52.86 54.63 1i1a s ASN 87 Cb -0.10 -2.40 0.00 0.00 -1.45 0.00 0.00 41.25 37.30 1i1a s ASN 87 CO 0.04 0.09 0.00 0.61 -3.72 0.00 0.00 177.10 174.12 1i1a n GLY 88 N 2.38 1.83 3.28 1.21 0.00 -1.26 -5.07 105.19 107.56 1i1a n GLY 88 Ca -0.06 -1.29 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 1i1a n GLY 88 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i1a n THR 89 N 2.61 0.51 -4.30 2.61 -2.24 -1.26 -4.97 114.28 107.24 1i1a n THR 89 Ca 0.00 -0.38 -0.16 0.00 -2.27 0.00 0.00 64.05 61.24 1i1a n THR 89 Cb 0.00 -0.39 -0.10 0.00 -2.10 0.00 0.00 70.33 67.74 1i1a n THR 89 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1i1a s PHE 90 N -2.08 1.48 -0.25 4.78 0.40 -1.26 -5.02 117.98 116.02 1i1a s PHE 90 Ca 0.54 -1.22 -0.03 0.00 -0.60 0.00 0.00 56.93 55.63 1i1a s PHE 90 Cb -0.28 -0.85 0.10 0.00 0.51 0.00 0.00 43.02 42.51 1i1a s PHE 90 CO 0.69 -0.39 0.20 0.99 0.70 0.00 0.00 175.22 177.41 1i1a s THR 91 N -3.81 -0.23 -0.14 0.64 2.01 -1.26 -2.64 115.64 110.21 1i1a s THR 91 Ca 0.38 -0.45 -0.19 0.00 0.31 0.00 0.00 61.69 61.74 1i1a s THR 91 Cb 0.08 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 1i1a s THR 91 CO 0.13 -0.47 0.53 -0.22 -0.69 0.00 0.00 174.62 173.90 1i1a s LEU 92 N 2.24 4.24 0.03 4.42 0.20 -0.11 -1.53 118.68 128.17 1i1a s LEU 92 Ca 0.08 0.83 0.01 0.00 0.69 0.00 0.00 54.13 55.74 1i1a s LEU 92 Cb -0.15 -2.76 -0.02 0.00 -0.43 0.00 0.00 46.19 42.82 1i1a s LEU 92 CO -0.26 -0.08 -0.05 -1.10 -0.29 0.00 0.00 176.35 174.56 1i1a s GLN 93 N 1.00 0.42 -0.01 1.98 -0.21 -0.07 -0.76 119.66 122.01 1i1a s GLN 93 Ca 0.27 -0.69 -0.15 0.00 0.02 0.00 0.00 55.36 54.81 1i1a s GLN 93 Cb -0.16 -0.07 0.02 0.00 1.00 0.00 0.00 33.01 33.81 1i1a s GLN 93 CO 0.11 -0.01 0.31 0.20 -2.12 0.00 0.00 175.29 173.78 1i1a s GLY 94 N -1.55 -0.15 -0.43 3.09 0.00 -0.94 0.66 107.32 108.00 1i1a s GLY 94 Ca -0.13 0.33 0.02 0.00 0.00 0.00 0.00 44.72 44.94 1i1a s GLY 94 CO -0.01 0.12 0.17 -2.27 0.00 0.00 0.00 173.10 171.12 1i1a s LEU 95 N -1.31 4.78 -0.13 0.66 2.96 0.05 -2.19 118.68 123.49 1i1a s LEU 95 Ca -0.13 -2.44 -0.04 0.00 -0.22 0.00 0.00 54.13 51.30 1i1a s LEU 95 Cb -0.05 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 1i1a s LEU 95 CO 0.04 -0.37 -0.01 -0.76 -1.32 0.00 0.00 176.35 173.93 1i1a s LEU 96 N 0.52 3.45 0.00 -0.68 2.01 -0.76 -3.27 118.68 119.95 1i1a s LEU 96 Ca 0.13 -0.00 0.00 0.00 0.01 0.00 0.00 54.13 54.26 1i1a s LEU 96 Cb -0.22 -1.82 0.00 0.00 0.01 0.00 0.00 46.19 44.16 1i1a s LEU 96 CO -0.05 0.24 0.00 0.61 1.01 0.00 0.00 176.35 178.17 1i1a n GLY 97 N 3.05 -1.09 3.55 -3.19 0.00 -0.94 0.13 105.19 106.70 1i1a n GLY 97 Ca -0.18 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 1i1a n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1a s GLU 99 N -3.91 0.60 0.00 0.00 2.12 -0.91 -0.80 118.70 115.80 1i1a s GLU 99 Ca 0.12 -0.83 -0.25 0.00 0.36 0.00 0.00 54.97 54.38 1i1a s GLU 99 Cb -0.01 -0.39 -0.05 0.00 0.26 0.00 0.00 34.13 33.95 1i1a s GLU 99 CO 0.00 0.07 0.77 -0.51 -0.54 0.00 0.00 175.26 175.05 1i1a s LEU 100 N -1.69 4.40 0.11 2.70 1.43 -1.26 -1.48 118.68 122.88 1i1a s LEU 100 Ca -0.07 1.38 -0.31 0.00 -1.03 0.00 0.00 54.13 54.10 1i1a s LEU 100 Cb -0.09 -3.22 -0.08 0.00 0.03 0.00 0.00 46.19 42.83 1i1a s LEU 100 CO 0.00 -0.06 1.47 0.00 0.23 0.00 0.00 176.35 178.00 1i1a s ALA 101 N 0.35 3.65 0.00 4.21 0.00 0.89 -4.77 121.76 126.09 1i1a s ALA 101 Ca 0.40 1.16 -0.00 0.00 0.00 0.00 0.00 51.96 53.51 1i1a s ALA 101 Cb -0.20 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.32 1i1a s ALA 101 CO 0.22 -0.76 0.69 -0.35 0.00 0.00 0.00 175.76 175.56 1i1a n PRO 102 N 4.36 0.18 -2.66 0.00 -0.04 -1.26 -1.18 135.00 134.41 1i1a n PRO 102 Ca 0.13 -0.08 -0.04 0.00 -0.04 0.00 0.00 63.50 63.47 1i1a n PRO 102 Cb 0.41 -1.53 0.02 0.00 -0.04 0.00 0.00 33.50 32.36 1i1a n PRO 102 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1i1a n ASP 103 N 2.74 -1.23 -2.57 3.54 5.75 -1.26 -5.09 116.55 118.43 1i1a n ASP 103 Ca 0.04 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 1i1a n ASP 103 Cb 0.09 1.04 0.00 0.00 -1.03 0.00 0.00 41.12 41.21 1i1a n ASP 103 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1i1a n ASN 104 N -0.37 -6.13 0.00 -1.12 3.02 -0.32 -5.00 115.26 105.33 1i1a n ASN 104 Ca -0.22 0.70 0.00 0.00 -0.03 0.00 0.00 54.58 55.03 1i1a n ASN 104 Cb 0.68 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 1i1a n ASN 104 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1i1a n SER 105 N 2.08 0.00 -4.89 6.41 2.88 -1.26 -4.89 113.62 113.96 1i1a n SER 105 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 1i1a n SER 105 Cb 0.08 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.49 1i1a n SER 105 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1i1a s SER 106 N 0.00 6.52 -0.49 -3.46 0.15 -1.26 -0.08 113.70 115.09 1i1a s SER 106 Ca 0.00 0.66 0.03 0.00 0.70 0.00 0.00 55.95 57.34 1i1a s SER 106 Cb 0.00 -2.12 0.15 0.00 -1.71 0.00 0.00 66.02 62.35 1i1a s SER 106 CO 0.00 0.05 0.33 -0.76 1.20 0.00 0.00 173.24 174.06 1i1a s LEU 107 N -2.59 2.74 0.85 3.45 1.43 -0.55 -4.73 118.68 119.28 1i1a s LEU 107 Ca 0.41 -3.03 -0.11 0.00 -1.03 0.00 0.00 54.13 50.36 1i1a s LEU 107 Cb -0.12 -0.97 0.10 0.00 0.03 0.00 0.00 46.19 45.23 1i1a s LEU 107 CO 0.23 -0.20 1.09 -2.16 0.23 0.00 0.00 176.35 175.55 1i1a s PRO 108 N -0.14 1.62 -0.11 1.29 0.04 -1.26 -2.14 135.00 134.30 1i1a s PRO 108 Ca 0.24 0.92 -0.09 0.00 0.04 0.00 0.00 61.00 62.11 1i1a s PRO 108 Cb -0.11 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.62 1i1a s PRO 108 CO -0.10 -2.02 0.28 0.99 0.04 0.00 0.00 177.00 176.20 1i1a s THR 109 N -2.94 -0.01 -0.31 1.26 2.01 -0.50 -4.93 115.64 110.23 1i1a s THR 109 Ca 0.63 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.67 1i1a s THR 109 Cb -0.17 -0.41 0.19 0.00 0.01 0.00 0.00 72.50 72.12 1i1a s THR 109 CO 0.56 0.01 0.71 0.00 -0.69 0.00 0.00 174.62 175.22 1i1a s ALA 110 N 0.38 -2.83 0.02 7.40 0.00 -1.21 -2.21 121.76 123.31 1i1a s ALA 110 Ca -0.02 1.04 0.03 0.00 0.00 0.00 0.00 51.96 53.02 1i1a s ALA 110 Cb -0.04 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.43 1i1a s ALA 110 CO -0.02 -1.95 -0.10 0.08 0.00 0.00 0.00 175.76 173.77 1i1a s VAL 111 N 2.72 0.79 0.03 0.00 1.01 -1.20 -2.27 120.40 121.47 1i1a s VAL 111 Ca 0.15 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.49 1i1a s VAL 111 Cb -0.07 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 1i1a s VAL 111 CO -0.23 0.01 -0.23 -0.36 0.00 0.00 0.00 175.10 174.29 1i1a s PHE 112 N -0.65 2.05 0.09 5.22 0.40 -0.07 -0.77 117.98 124.24 1i1a s PHE 112 Ca 0.00 -0.39 0.09 0.00 -0.60 0.00 0.00 56.93 56.03 1i1a s PHE 112 Cb -0.06 -1.25 -0.03 0.00 0.51 0.00 0.00 43.02 42.19 1i1a s PHE 112 CO 0.00 0.07 -0.24 0.00 0.70 0.00 0.00 175.22 175.76 1i1a s ALA 113 N -0.73 2.07 -0.07 5.36 0.00 0.21 -1.73 121.76 126.86 1i1a s ALA 113 Ca 0.09 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.76 1i1a s ALA 113 Cb -0.09 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.70 1i1a s ALA 113 CO 0.01 0.46 -0.06 -1.17 0.00 0.00 0.00 175.76 175.00 1i1a s LEU 114 N -1.72 1.23 -1.34 0.00 2.96 0.99 -0.89 118.68 119.91 1i1a s LEU 114 Ca 0.10 -0.20 -0.07 0.00 -0.22 0.00 0.00 54.13 53.74 1i1a s LEU 114 Cb -0.10 -0.62 0.00 0.00 0.50 0.00 0.00 46.19 45.97 1i1a s LEU 114 CO 0.04 -0.08 0.50 0.59 -1.32 0.00 0.00 176.35 176.09 1i1a n ASN 115 N 4.42 -1.68 0.00 3.68 4.13 -0.58 -2.45 115.26 122.77 1i1a n ASN 115 Ca -0.18 -1.04 0.00 0.00 1.68 0.00 0.00 54.58 55.04 1i1a n ASN 115 Cb 0.51 -2.97 0.00 0.00 -1.54 0.00 0.00 39.78 35.78 1i1a n ASN 115 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1i1a n GLY 116 N -1.95 2.67 3.50 7.41 0.00 -1.26 -5.01 105.19 110.54 1i1a n GLY 116 Ca -0.25 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1i1a n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i1a s GLU 117 N 0.00 1.84 0.26 1.61 2.02 -1.02 -5.03 118.70 118.38 1i1a s GLU 117 Ca 0.00 -1.15 -0.30 0.00 0.02 0.00 0.00 54.97 53.55 1i1a s GLU 117 Cb 0.00 -2.14 -0.09 0.00 0.10 0.00 0.00 34.13 31.99 1i1a s GLU 117 CO 0.00 0.49 1.28 -2.00 0.02 0.00 0.00 175.26 175.05 1i1a s GLU 118 N -2.11 4.41 0.00 1.61 2.12 -1.26 -0.01 118.70 123.47 1i1a s GLU 118 Ca 0.18 2.08 0.00 0.00 0.36 0.00 0.00 54.97 57.59 1i1a s GLU 118 Cb -0.11 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.14 1i1a s GLU 118 CO 0.10 -0.16 0.09 1.97 -0.54 0.00 0.00 175.26 176.72 1i1a n PHE 119 N 1.74 0.00 -3.49 5.30 -1.74 -0.71 -4.88 117.46 113.69 1i1a n PHE 119 Ca 0.03 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.77 1i1a n PHE 119 Cb 0.43 0.01 -0.04 0.00 1.52 0.00 0.00 39.48 41.40 1i1a n PHE 119 CO 0.00 0.00 0.00 1.41 -0.56 0.00 0.00 176.76 177.61 1i1a s MET 120 N 0.00 1.15 0.01 3.97 0.00 -1.05 -4.37 119.30 119.01 1i1a s MET 120 Ca 0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 55.69 55.50 1i1a s MET 120 Cb 0.00 0.53 0.00 0.00 0.00 0.00 0.00 34.83 35.37 1i1a s MET 120 CO 0.00 -0.43 0.15 1.03 0.00 0.00 0.00 175.02 175.77 1i1a s ARG 121 N -2.43 0.53 -0.06 4.11 0.52 0.28 -0.89 118.95 121.01 1i1a s ARG 121 Ca -0.05 -0.44 0.05 0.00 -0.52 0.00 0.00 55.73 54.77 1i1a s ARG 121 Cb -0.01 0.22 -0.02 0.00 0.52 0.00 0.00 34.95 35.67 1i1a s ARG 121 CO -0.01 -0.13 -0.22 0.12 0.02 0.00 0.00 175.30 175.08 1i1a s PHE 122 N -1.60 2.50 -0.31 -0.53 5.36 -0.96 0.36 117.98 122.80 1i1a s PHE 122 Ca -0.13 -0.56 -0.06 0.00 -0.96 0.00 0.00 56.93 55.23 1i1a s PHE 122 Cb -0.06 -1.61 0.03 0.00 -0.34 0.00 0.00 43.02 41.03 1i1a s PHE 122 CO 0.01 -0.11 0.07 1.21 -1.46 0.00 0.00 175.22 174.94 1i1a s ASN 123 N -0.31 5.08 0.33 6.13 3.84 -0.61 -4.63 114.94 124.77 1i1a s ASN 123 Ca 0.01 -0.93 0.11 0.00 0.21 0.00 0.00 52.86 52.26 1i1a s ASN 123 Cb -0.13 -1.84 0.58 0.00 -0.55 0.00 0.00 41.25 39.32 1i1a s ASN 123 CO 0.02 -0.24 1.75 1.55 -2.79 0.00 0.00 177.10 177.39 1i1a h PRO 124 N 8.19 0.03 0.39 0.43 0.13 -1.92 0.45 132.00 139.69 1i1a h PRO 124 Ca -0.28 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.82 1i1a h PRO 124 Cb 1.10 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1i1a h PRO 124 CO 0.59 0.47 -0.19 0.00 -0.23 0.00 0.00 178.00 178.65 1i1a h ARG 125 N 0.03 -0.51 0.00 0.86 3.08 -1.93 -3.29 114.38 112.62 1i1a h ARG 125 Ca -0.00 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1i1a h ARG 125 Cb 0.80 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 1i1a h ARG 125 CO 0.06 -0.34 -0.16 1.79 -1.07 0.00 0.00 179.97 180.25 1i1a h THR 126 N -0.96 0.61 -1.87 2.04 1.35 -2.00 -3.47 112.91 108.62 1i1a h THR 126 Ca -0.05 -0.73 -0.16 0.00 -0.55 0.00 0.00 66.41 64.92 1i1a h THR 126 Cb 0.40 1.47 0.02 0.00 -1.73 0.00 0.00 68.15 68.31 1i1a h THR 126 CO 0.09 0.16 -0.24 0.61 -0.25 0.00 0.00 175.52 175.89 1i1a n GLY 127 N -0.47 0.16 3.15 5.82 0.00 0.15 -5.05 105.19 108.95 1i1a n GLY 127 Ca -0.01 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 1i1a n GLY 127 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i1a s ASN 128 N -2.82 1.93 -0.22 1.61 3.84 -1.05 -4.84 114.94 113.40 1i1a s ASN 128 Ca 0.09 -0.30 -0.20 0.00 0.21 0.00 0.00 52.86 52.66 1i1a s ASN 128 Cb -0.04 -0.23 -0.02 0.00 -0.55 0.00 0.00 41.25 40.40 1i1a s ASN 128 CO 0.11 0.20 0.61 0.26 -2.79 0.00 0.00 177.10 175.49 1i1a s TRP 129 N -0.36 3.34 0.21 0.43 0.51 -1.26 -1.57 118.94 120.23 1i1a s TRP 129 Ca 0.06 0.85 0.06 0.00 -2.12 0.00 0.00 56.10 54.95 1i1a s TRP 129 Cb -0.07 -2.79 -0.04 0.00 -0.81 0.00 0.00 33.47 29.77 1i1a s TRP 129 CO -0.01 -0.22 0.16 -1.12 -0.51 0.00 0.00 176.95 175.25 1i1a s SER 130 N 1.31 5.49 0.00 2.95 0.01 0.16 -4.91 113.70 118.71 1i1a s SER 130 Ca 0.27 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.33 1i1a s SER 130 Cb -0.16 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.67 1i1a s SER 130 CO 0.09 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.37 1i1a n GLY 131 N -0.74 3.49 1.26 3.44 0.00 -1.26 -0.56 105.19 110.83 1i1a n GLY 131 Ca -0.08 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.77 1i1a n GLY 131 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1i1a n GLU 132 N -0.84 3.15 -4.45 1.61 2.13 -1.26 -4.89 120.64 116.09 1i1a n GLU 132 Ca 0.00 -1.78 -0.22 0.00 0.66 0.00 0.00 57.16 55.82 1i1a n GLU 132 Cb 0.00 -1.90 -0.10 0.00 0.27 0.00 0.00 31.44 29.71 1i1a n GLU 132 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1i1a s TRP 133 N -1.97 2.05 0.09 4.31 0.52 -1.26 -5.01 118.94 117.67 1i1a s TRP 133 Ca 0.31 -0.62 -0.25 0.00 0.02 0.00 0.00 56.10 55.57 1i1a s TRP 133 Cb 0.23 -1.13 -0.13 0.00 -1.15 0.00 0.00 33.47 31.29 1i1a s TRP 133 CO 0.10 0.38 1.71 -1.35 0.02 0.00 0.00 176.95 177.81 1i1a h PRO 134 N 2.25 -0.18 -0.52 4.98 0.11 -1.96 -1.83 132.00 134.85 1i1a h PRO 134 Ca -0.40 0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.81 1i1a h PRO 134 Cb 1.24 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 1i1a h PRO 134 CO 0.67 -0.12 0.35 0.93 -0.21 0.00 0.00 178.00 179.62 1i1a h GLU 135 N -0.19 0.32 -0.64 1.05 3.07 -1.95 0.23 114.58 116.46 1i1a h GLU 135 Ca 0.00 -0.02 0.08 0.00 -0.50 0.00 0.00 59.36 58.93 1i1a h GLU 135 Cb 0.18 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 27.98 1i1a h GLU 135 CO -0.02 0.21 0.43 1.15 -1.40 0.00 0.00 179.01 179.38 1i1a h THR 136 N 0.33 0.94 0.02 1.13 2.02 -1.55 -0.94 112.91 114.86 1i1a h THR 136 Ca 0.24 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 67.16 1i1a h THR 136 Cb 0.51 0.35 0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1i1a h THR 136 CO -0.06 0.10 -0.30 0.44 0.37 0.00 0.00 175.52 176.07 1i1a h ASP 137 N 0.54 0.22 0.04 4.18 3.32 -0.29 -1.16 116.42 123.27 1i1a h ASP 137 Ca 0.29 -0.86 0.00 0.00 0.02 0.00 0.00 57.03 56.49 1i1a h ASP 137 Cb 0.43 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1i1a h ASP 137 CO -0.09 1.05 -0.14 0.40 -1.72 0.00 0.00 179.24 178.74 1i1a h ILE 138 N -0.58 0.00 0.37 0.35 2.04 -0.73 -1.19 117.51 117.77 1i1a h ILE 138 Ca -0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1i1a h ILE 138 Cb 1.12 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1i1a h ILE 138 CO 0.06 0.00 -0.18 0.58 0.00 0.00 0.00 178.15 178.61 1i1a h VAL 139 N -0.21 0.64 -0.80 1.67 2.07 -1.36 -2.46 116.25 115.81 1i1a h VAL 139 Ca -0.00 -0.05 0.21 0.00 0.82 0.00 0.00 66.70 67.68 1i1a h VAL 139 Cb 0.21 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1i1a h VAL 139 CO -0.08 0.01 0.55 1.23 0.02 0.00 0.00 177.57 179.31 1i1a h GLY 140 N -0.52 0.31 1.49 2.17 0.00 -1.21 -1.12 103.07 104.19 1i1a h GLY 140 Ca -0.05 -0.07 -0.27 0.00 0.00 0.00 0.00 47.33 46.95 1i1a h GLY 140 CO 0.08 0.00 -1.36 3.43 0.00 0.00 0.00 176.54 178.70 1i1a h ASN 141 N 0.15 0.16 -0.78 0.19 4.21 -1.12 -2.96 115.58 115.42 1i1a h ASN 141 Ca 0.39 -0.21 0.01 0.00 1.21 0.00 0.00 56.30 57.69 1i1a h ASN 141 Cb 1.31 -0.05 -0.04 0.00 -1.12 0.00 0.00 38.32 38.42 1i1a h ASN 141 CO -0.06 1.18 0.51 0.25 -1.29 0.00 0.00 177.43 178.01 1i1a h LEU 142 N 0.03 0.90 0.16 1.61 5.85 -0.73 -1.85 115.31 121.28 1i1a h LEU 142 Ca -0.16 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1i1a h LEU 142 Cb 1.92 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.73 1i1a h LEU 142 CO 0.13 0.67 -0.08 -0.50 -0.34 0.00 0.00 178.44 178.32 1i1a h TRP 143 N 1.06 -0.19 0.00 1.25 6.55 -1.58 -3.21 115.95 119.83 1i1a h TRP 143 Ca 0.28 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.12 1i1a h TRP 143 Cb -0.10 0.06 0.00 0.00 -0.86 0.00 0.00 29.16 28.26 1i1a h TRP 143 CO -0.02 0.13 0.42 1.98 -1.05 0.00 0.00 178.44 179.90 1i1a h MET 144 N -0.99 0.00 -1.20 0.49 4.05 -1.52 0.14 114.93 115.91 1i1a h MET 144 Ca -0.02 0.00 -0.30 0.00 -0.28 0.00 0.00 59.70 59.10 1i1a h MET 144 Cb 0.41 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 31.05 1i1a h MET 144 CO 0.04 0.00 0.39 1.63 0.23 0.00 0.00 176.91 179.19 1i1a n LYS 145 N -2.42 1.73 -3.68 0.39 5.02 -0.70 -4.67 118.16 113.83 1i1a n LYS 145 Ca -0.01 -1.60 -0.15 0.00 -2.02 0.00 0.00 58.31 54.52 1i1a n LYS 145 Cb 0.45 -1.63 -0.15 0.00 -0.02 0.00 0.00 35.03 33.68 1i1a n LYS 145 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1i1a s GLN 146 N -1.81 0.09 0.17 1.97 -0.21 0.50 -5.02 119.66 115.35 1i1a s GLN 146 Ca 0.31 0.58 -0.17 0.00 0.02 0.00 0.00 55.36 56.10 1i1a s GLN 146 Cb 0.25 -0.19 0.10 0.00 1.00 0.00 0.00 33.01 34.18 1i1a s GLN 146 CO 0.03 -0.27 1.68 -1.35 -2.12 0.00 0.00 175.29 173.26 1i1a h PRO 147 N 8.07 0.03 0.18 2.91 0.11 -1.85 -2.74 132.00 138.71 1i1a h PRO 147 Ca -0.20 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.90 1i1a h PRO 147 Cb 1.12 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1i1a h PRO 147 CO 0.20 0.02 -0.09 0.93 -0.21 0.00 0.00 178.00 178.86 1i1a h GLU 148 N 0.03 -0.24 0.00 1.05 4.39 -1.96 -3.39 114.58 114.46 1i1a h GLU 148 Ca 0.20 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1i1a h GLU 148 Cb 0.29 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1i1a h GLU 148 CO -0.39 -0.16 0.00 0.00 -1.16 0.00 0.00 179.01 177.30 1i1a n ALA 149 N -2.20 0.00 -0.33 3.43 0.00 -1.03 -1.56 120.51 118.82 1i1a n ALA 149 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 1i1a n ALA 149 Cb 0.12 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.62 1i1a n ALA 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i1a h ALA 150 N 0.00 0.20 0.03 0.00 0.00 -1.75 -1.47 119.26 116.26 1i1a h ALA 150 Ca 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1i1a h ALA 150 Cb 0.00 0.89 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1i1a h ALA 150 CO 0.00 -0.59 -0.04 -0.09 0.00 0.00 0.00 179.25 178.53 1i1a h ARG 151 N -0.04 -0.06 0.00 0.00 2.43 -1.48 -1.17 114.38 114.05 1i1a h ARG 151 Ca 0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1i1a h ARG 151 Cb 0.60 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1i1a h ARG 151 CO -0.90 -0.04 0.00 1.63 -1.51 0.00 0.00 179.97 179.14 1i1a n LYS 152 N -2.56 0.00 -0.34 0.20 5.02 -0.82 -0.85 118.16 118.81 1i1a n LYS 152 Ca -0.01 0.72 0.31 0.00 -2.02 0.00 0.00 58.31 57.31 1i1a n LYS 152 Cb 0.03 -1.36 0.55 0.00 -0.02 0.00 0.00 35.03 34.23 1i1a n LYS 152 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1i1a n GLU 153 N -2.20 -0.04 -0.04 1.97 4.07 -0.58 0.16 120.64 123.98 1i1a n GLU 153 Ca 0.00 1.14 -0.16 0.00 -0.06 0.00 0.00 57.16 58.08 1i1a n GLU 153 Cb 0.00 -2.14 -0.07 0.00 -0.06 0.00 0.00 31.44 29.17 1i1a n GLU 153 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1i1a h SER 154 N 0.00 0.80 -0.09 4.31 0.87 -0.08 -3.08 113.55 116.28 1i1a h SER 154 Ca 0.75 -0.60 -0.09 0.00 -1.23 0.00 0.00 61.79 60.62 1i1a h SER 154 Cb 2.20 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 63.91 1i1a h SER 154 CO -0.53 1.26 -0.20 -0.08 -0.53 0.00 0.00 176.83 176.74 1i1a h GLU 155 N 0.38 0.49 -0.77 2.24 4.81 0.36 -0.21 114.58 121.88 1i1a h GLU 155 Ca -0.02 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.09 1i1a h GLU 155 Cb 1.19 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.48 1i1a h GLU 155 CO 0.12 0.67 0.47 0.35 -0.73 0.00 0.00 179.01 179.89 1i1a h PHE 156 N 0.44 0.88 0.17 0.92 3.57 -0.96 0.71 116.94 122.67 1i1a h PHE 156 Ca 0.07 0.03 -0.33 0.00 3.53 0.00 0.00 57.97 61.27 1i1a h PHE 156 Cb 0.60 -0.29 0.01 0.00 2.79 0.00 0.00 35.95 39.06 1i1a h PHE 156 CO 0.02 0.48 -1.58 -0.07 -2.23 0.00 0.00 178.31 174.93 1i1a h LEU 157 N 0.90 0.56 0.00 0.59 3.38 -1.41 0.44 115.31 119.77 1i1a h LEU 157 Ca 0.32 -0.74 -0.18 0.00 0.09 0.00 0.00 57.88 57.38 1i1a h LEU 157 Cb 0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1i1a h LEU 157 CO -0.14 1.61 -1.47 0.18 0.09 0.00 0.00 178.44 178.71 1i1a n LEU 158 N -3.55 0.82 0.00 1.67 4.77 -0.11 -4.25 117.00 116.34 1i1a n LEU 158 Ca -0.19 0.36 -0.02 0.00 -0.03 0.00 0.00 56.01 56.13 1i1a n LEU 158 Cb 1.07 0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 42.24 1i1a n LEU 158 CO 0.53 0.16 -0.14 0.41 -1.33 0.00 0.00 177.39 177.02 1i1a n THR 159 N -2.88 0.77 0.22 -5.08 -1.04 0.18 -4.64 114.28 101.82 1i1a n THR 159 Ca -0.11 0.26 -0.16 0.00 -2.04 0.00 0.00 64.05 62.00 1i1a n THR 159 Cb 0.85 -1.57 -0.08 0.00 -1.82 0.00 0.00 70.33 67.72 1i1a n THR 159 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1i1a h SER 160 N -0.20 -1.04 -0.26 8.00 0.02 -1.51 -2.80 113.55 115.76 1i1a h SER 160 Ca 0.00 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1i1a h SER 160 Cb 0.20 0.35 -0.04 0.00 0.14 0.00 0.00 62.40 63.05 1i1a h SER 160 CO 0.00 -0.52 -0.26 0.00 -1.14 0.00 0.00 176.83 174.91 1i1a h PRO 162 N -0.13 0.00 0.20 0.00 0.13 -1.74 -1.91 132.00 128.54 1i1a h PRO 162 Ca 0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 1i1a h PRO 162 Cb 0.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.38 1i1a h PRO 162 CO -0.31 0.00 -0.09 0.93 -0.23 0.00 0.00 178.00 178.29 1i1a h GLU 163 N 0.00 -0.26 -0.91 0.86 5.08 -0.69 -2.31 114.58 116.36 1i1a h GLU 163 Ca 0.07 0.02 0.24 0.00 -1.00 0.00 0.00 59.36 58.69 1i1a h GLU 163 Cb 0.51 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 29.68 1i1a h GLU 163 CO -0.00 -0.17 0.39 0.00 -1.00 0.00 0.00 179.01 178.23 1i1a h ARG 164 N -0.79 0.34 -0.02 2.33 3.08 -0.72 -0.04 114.38 118.57 1i1a h ARG 164 Ca -0.03 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1i1a h ARG 164 Cb 0.20 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1i1a h ARG 164 CO 0.04 0.23 -0.03 1.25 -1.07 0.00 0.00 179.97 180.39 1i1a h LEU 165 N 0.35 -0.08 -2.23 3.04 5.85 -1.41 -1.39 115.31 119.44 1i1a h LEU 165 Ca 0.59 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.31 1i1a h LEU 165 Cb 1.17 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1i1a h LEU 165 CO -0.57 -0.04 -0.04 0.25 -0.34 0.00 0.00 178.44 177.70 1i1a h LEU 166 N -0.04 0.00 0.00 2.25 5.85 -0.46 -1.60 115.31 121.30 1i1a h LEU 166 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1i1a h LEU 166 Cb 0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1i1a h LEU 166 CO -0.04 0.04 -0.51 1.23 -0.34 0.00 0.00 178.44 178.82 1i1a h GLY 167 N 0.73 0.00 1.33 3.75 0.00 -0.21 -3.07 103.07 105.60 1i1a h GLY 167 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1i1a h GLY 167 CO 0.01 0.00 -0.86 0.45 0.00 0.00 0.00 176.54 176.13 1i1a h HIS 168 N 0.00 0.00 -0.17 5.60 3.86 -0.32 -2.27 115.15 121.85 1i1a h HIS 168 Ca 0.00 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.05 1i1a h HIS 168 Cb 0.94 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.42 1i1a h HIS 168 CO 0.00 0.24 -0.51 -0.07 0.86 0.00 0.00 177.93 178.45 1i1a h LEU 169 N 0.00 0.75 0.02 2.43 4.07 -1.49 0.25 115.31 121.34 1i1a h LEU 169 Ca -0.05 -0.59 -0.00 0.00 0.08 0.00 0.00 57.88 57.32 1i1a h LEU 169 Cb 1.22 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.75 1i1a h LEU 169 CO 0.02 1.21 -0.01 -0.08 -1.08 0.00 0.00 178.44 178.50 1i1a h GLU 170 N 0.33 -0.03 -0.44 1.13 4.81 -1.60 -3.26 114.58 115.52 1i1a h GLU 170 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1i1a h GLU 170 Cb 1.13 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1i1a h GLU 170 CO 0.11 0.66 0.00 0.54 -0.73 0.00 0.00 179.01 179.59 1i1a n ARG 171 N -4.76 2.13 0.00 1.92 1.74 -0.85 -4.32 116.66 112.52 1i1a n ARG 171 Ca -0.09 -1.75 0.00 0.00 -0.77 0.00 0.00 57.85 55.24 1i1a n ARG 171 Cb 0.34 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 1i1a n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i1a n GLY 172 N 1.30 -0.07 0.29 -0.13 0.00 0.88 -4.52 105.19 102.94 1i1a n GLY 172 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 1i1a n GLY 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i1a n ARG 173 N -0.27 -0.07 -0.36 1.61 1.74 -1.23 0.14 116.66 118.23 1i1a n ARG 173 Ca 0.00 1.26 0.27 0.00 -0.77 0.00 0.00 57.85 58.61 1i1a n ARG 173 Cb 0.05 -1.93 0.52 0.00 -1.02 0.00 0.00 32.46 30.07 1i1a n ARG 173 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1i1a h GLN 174 N 0.00 0.27 0.13 5.56 4.20 -1.93 0.44 115.11 123.79 1i1a h GLN 174 Ca 0.44 -0.02 -0.23 0.00 0.06 0.00 0.00 58.65 58.90 1i1a h GLN 174 Cb 0.77 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.50 1i1a h GLN 174 CO -0.82 0.18 -1.08 -0.91 -0.67 0.00 0.00 178.83 175.53 1i1a h ASN 175 N 0.28 0.43 1.02 1.46 2.35 0.85 -3.11 115.58 118.86 1i1a h ASN 175 Ca 0.74 -0.90 -0.11 0.00 -0.55 0.00 0.00 56.30 55.47 1i1a h ASN 175 Cb 1.86 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 40.07 1i1a h ASN 175 CO -0.52 1.49 -0.53 -0.07 -1.65 0.00 0.00 177.43 176.15 1i1a h LEU 176 N -0.35 0.00 0.00 1.61 -0.00 -0.63 -3.11 115.31 112.83 1i1a h LEU 176 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.66 1i1a h LEU 176 Cb 1.70 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.36 1i1a h LEU 176 CO 0.11 0.53 -0.53 -0.62 -0.00 0.00 0.00 178.44 177.93 1i1a n GLU 177 N -3.45 0.08 -1.58 1.13 1.02 0.14 -4.94 120.64 113.04 1i1a n GLU 177 Ca 0.00 0.02 -0.48 0.00 -0.02 0.00 0.00 57.16 56.68 1i1a n GLU 177 Cb 0.64 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 30.48 1i1a n GLU 177 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1i1a n TRP 178 N -1.66 1.27 -4.19 -0.32 -0.00 -1.17 -4.99 117.44 106.38 1i1a n TRP 178 Ca 0.05 0.69 -0.17 0.00 -0.00 0.00 0.00 57.50 58.07 1i1a n TRP 178 Cb 0.36 -2.27 -0.13 0.00 -0.00 0.00 0.00 31.31 29.28 1i1a n TRP 178 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1i1a s LYS 179 N -0.58 0.69 -0.26 5.87 1.02 -1.26 -4.71 119.74 120.51 1i1a s LYS 179 Ca 0.71 -0.69 -0.04 0.00 0.02 0.00 0.00 55.97 55.96 1i1a s LYS 179 Cb -0.83 -0.60 0.14 0.00 -0.52 0.00 0.00 37.83 36.02 1i1a s LYS 179 CO 0.53 0.14 0.48 -2.00 -0.92 0.00 0.00 175.35 173.59 1i1a s GLU 180 N -1.22 0.43 0.58 1.68 2.12 -1.26 -4.94 118.70 116.10 1i1a s GLU 180 Ca -0.03 0.90 -0.18 0.00 0.36 0.00 0.00 54.97 56.02 1i1a s GLU 180 Cb -0.08 0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.44 1i1a s GLU 180 CO 0.01 -0.49 1.12 -1.25 -0.54 0.00 0.00 175.26 174.11 1i1a s PRO 181 N 2.69 3.18 0.59 4.30 0.04 -1.26 -1.91 135.00 142.64 1i1a s PRO 181 Ca 0.10 1.54 -0.09 0.00 0.04 0.00 0.00 61.00 62.59 1i1a s PRO 181 Cb -0.14 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 1i1a s PRO 181 CO -0.17 -0.97 0.95 -1.25 0.04 0.00 0.00 177.00 175.60 1i1a s PRO 182 N -3.54 3.30 -0.24 0.56 0.04 -1.26 -4.60 135.00 129.26 1i1a s PRO 182 Ca 0.71 0.40 -0.06 0.00 0.04 0.00 0.00 61.00 62.09 1i1a s PRO 182 Cb -0.23 -2.19 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 1i1a s PRO 182 CO 0.31 -0.59 0.03 -1.12 0.04 0.00 0.00 177.00 175.67 1i1a s SER 183 N -4.22 4.81 0.33 6.66 0.01 -0.77 -4.86 113.70 115.67 1i1a s SER 183 Ca 0.53 -0.35 -0.03 0.00 1.31 0.00 0.00 55.95 57.41 1i1a s SER 183 Cb -0.11 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 64.23 1i1a s SER 183 CO 0.49 -0.05 0.58 -0.04 0.41 0.00 0.00 173.24 174.63 1i1a s MET 184 N 1.55 3.57 -0.30 12.44 -1.94 -1.26 -0.47 119.30 132.88 1i1a s MET 184 Ca 0.06 -0.10 -0.08 0.00 -1.71 0.00 0.00 55.69 53.86 1i1a s MET 184 Cb -0.15 -2.62 0.16 0.00 2.01 0.00 0.00 34.83 34.22 1i1a s MET 184 CO 0.01 0.14 0.69 1.03 -0.01 0.00 0.00 175.02 176.88 1i1a s ARG 185 N -3.97 0.52 0.02 2.03 1.81 -0.75 -4.99 118.95 113.63 1i1a s ARG 185 Ca 0.43 1.18 -0.01 0.00 -1.72 0.00 0.00 55.73 55.60 1i1a s ARG 185 Cb -0.10 0.69 -0.04 0.00 -0.45 0.00 0.00 34.95 35.05 1i1a s ARG 185 CO 0.34 -0.32 0.16 -1.17 -0.68 0.00 0.00 175.30 173.63 1i1a s LEU 186 N 2.84 4.24 0.10 2.53 2.96 -1.26 -1.43 118.68 128.66 1i1a s LEU 186 Ca 0.03 0.26 -0.18 0.00 -0.22 0.00 0.00 54.13 54.03 1i1a s LEU 186 Cb -0.12 -2.63 0.04 0.00 0.50 0.00 0.00 46.19 43.98 1i1a s LEU 186 CO -0.19 0.23 0.44 -0.54 -1.32 0.00 0.00 176.35 174.97 1i1a s LYS 187 N -2.08 1.06 -0.06 1.98 1.02 -0.21 -4.64 119.74 116.81 1i1a s LYS 187 Ca 0.29 -0.55 0.06 0.00 0.02 0.00 0.00 55.97 55.78 1i1a s LYS 187 Cb -0.13 0.47 -0.01 0.00 -0.52 0.00 0.00 37.83 37.65 1i1a s LYS 187 CO 0.20 -0.41 -0.25 0.00 -0.92 0.00 0.00 175.35 173.98 1i1a s ALA 188 N -3.36 2.12 0.16 5.17 0.00 -1.26 -0.22 121.76 124.36 1i1a s ALA 188 Ca 0.00 -1.03 0.11 0.00 0.00 0.00 0.00 51.96 51.04 1i1a s ALA 188 Cb 0.01 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1i1a s ALA 188 CO -0.09 0.41 -0.26 1.03 0.00 0.00 0.00 175.76 176.86 1i1a s ARG 189 N -0.16 1.44 0.62 0.00 0.52 -0.25 -4.94 118.95 116.18 1i1a s ARG 189 Ca -0.03 -1.42 0.25 0.00 -0.52 0.00 0.00 55.73 54.00 1i1a s ARG 189 Cb -0.14 -1.87 1.12 0.00 0.52 0.00 0.00 34.95 34.58 1i1a s ARG 189 CO 0.03 0.43 1.57 -1.35 0.02 0.00 0.00 175.30 176.01 1i1a h PRO 190 N 3.61 0.00 0.00 3.54 0.11 -1.88 0.40 132.00 137.78 1i1a h PRO 190 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1i1a h PRO 190 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1i1a h PRO 190 CO 0.43 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.63 1i1a n GLY 191 N -1.54 1.24 0.00 -0.55 0.00 -1.26 -3.58 105.19 99.50 1i1a n GLY 191 Ca 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1i1a n GLY 191 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1i1a n ASN 192 N -2.75 -0.11 -4.70 1.61 5.15 -1.26 -4.84 115.26 108.36 1i1a n ASN 192 Ca 0.00 -0.01 -0.40 0.00 -0.60 0.00 0.00 54.58 53.57 1i1a n ASN 192 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 1i1a n ASN 192 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1i1a s SER 193 N -1.84 6.93 -1.35 1.20 1.04 -1.26 -3.60 113.70 114.81 1i1a s SER 193 Ca 0.00 1.12 0.00 0.00 0.48 0.00 0.00 55.95 57.55 1i1a s SER 193 Cb 0.00 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1i1a s SER 193 CO 0.00 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1i1a n GLY 194 N 3.29 1.23 0.00 7.32 0.00 -1.26 -4.91 105.19 110.85 1i1a n GLY 194 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1i1a n GLY 194 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1i1a n SER 195 N -1.13 1.10 -3.52 1.61 2.88 -1.24 -3.64 113.62 109.69 1i1a n SER 195 Ca -0.13 -0.94 -0.12 0.00 -1.33 0.00 0.00 58.87 56.35 1i1a n SER 195 Cb 0.59 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.01 1i1a n SER 195 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1i1a s SER 196 N -0.89 -0.48 -0.14 -3.46 0.01 -0.99 -4.38 113.70 103.37 1i1a s SER 196 Ca 0.00 0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.59 1i1a s SER 196 Cb 0.00 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1i1a s SER 196 CO 0.00 -0.59 -0.19 -0.69 0.41 0.00 0.00 173.24 172.18 1i1a s VAL 197 N -2.11 2.37 -0.13 3.43 1.01 0.13 -0.74 120.40 124.35 1i1a s VAL 197 Ca -0.02 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 1i1a s VAL 197 Cb -0.01 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1i1a s VAL 197 CO -0.01 0.54 0.39 -0.76 0.00 0.00 0.00 175.10 175.25 1i1a s LEU 198 N 0.72 4.27 -0.16 3.92 1.43 0.48 -1.09 118.68 128.26 1i1a s LEU 198 Ca -0.08 0.69 0.02 0.00 -1.03 0.00 0.00 54.13 53.72 1i1a s LEU 198 Cb -0.16 -2.55 0.02 0.00 0.03 0.00 0.00 46.19 43.53 1i1a s LEU 198 CO 0.01 0.06 -0.20 -0.89 0.23 0.00 0.00 176.35 175.56 1i1a s THR 199 N 0.46 2.00 -0.42 5.49 2.01 0.69 -0.84 115.64 125.02 1i1a s THR 199 Ca 0.22 -0.92 -0.08 0.00 0.31 0.00 0.00 61.69 61.22 1i1a s THR 199 Cb -0.14 -1.79 0.09 0.00 0.01 0.00 0.00 72.50 70.67 1i1a s THR 199 CO 0.08 0.53 0.26 0.00 -0.69 0.00 0.00 174.62 174.80 1i1a s ALA 201 N 1.35 3.69 -0.21 0.00 0.00 -0.52 -1.84 121.76 124.25 1i1a s ALA 201 Ca 0.04 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 1i1a s ALA 201 Cb -0.24 -2.29 -0.00 0.00 0.00 0.00 0.00 23.12 20.59 1i1a s ALA 201 CO 0.00 0.34 -0.09 0.00 0.00 0.00 0.00 175.76 176.02 1i1a s ALA 202 N -0.39 2.67 -0.07 0.00 0.00 0.41 -1.80 121.76 122.57 1i1a s ALA 202 Ca 0.19 -1.17 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 1i1a s ALA 202 Cb -0.14 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 1i1a s ALA 202 CO 0.07 -0.38 0.03 -0.06 0.00 0.00 0.00 175.76 175.42 1i1a s PHE 203 N 1.38 3.23 -0.72 0.00 0.40 0.37 -1.64 117.98 121.01 1i1a s PHE 203 Ca 0.05 0.23 -0.08 0.00 -0.60 0.00 0.00 56.93 56.53 1i1a s PHE 203 Cb -0.14 -1.79 0.01 0.00 0.51 0.00 0.00 43.02 41.61 1i1a s PHE 203 CO -0.06 0.52 0.59 0.43 0.70 0.00 0.00 175.22 177.40 1i1a n SER 204 N 1.92 -4.72 -4.20 1.36 7.64 -1.04 -1.85 113.62 112.72 1i1a n SER 204 Ca -0.18 -0.78 -0.22 0.00 1.01 0.00 0.00 58.87 58.71 1i1a n SER 204 Cb 0.54 -1.52 -0.13 0.00 -1.01 0.00 0.00 64.21 62.08 1i1a n SER 204 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1i1a s PHE 205 N -2.61 1.49 0.00 1.43 -0.71 -0.93 -4.54 117.98 112.10 1i1a s PHE 205 Ca 0.08 -0.39 0.00 0.00 -1.04 0.00 0.00 56.93 55.59 1i1a s PHE 205 Cb -0.01 -0.86 0.00 0.00 -1.21 0.00 0.00 43.02 40.94 1i1a s PHE 205 CO 0.86 0.08 0.00 0.98 -1.34 0.00 0.00 175.22 175.80 1i1a n TYR 206 N 1.65 0.00 -1.24 3.49 -0.00 -0.80 -0.31 117.16 119.95 1i1a n TYR 206 Ca -0.18 0.00 -0.58 0.00 -0.00 0.00 0.00 57.90 57.13 1i1a n TYR 206 Cb 0.54 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.77 1i1a n TYR 206 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 1i1a n PRO 207 N 0.00 0.00 0.07 2.98 -0.02 -1.26 -4.42 135.00 132.35 1i1a n PRO 207 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.50 1i1a n PRO 207 Cb 0.00 -1.44 0.13 0.00 -0.02 0.00 0.00 33.50 32.17 1i1a n PRO 207 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1i1a n PRO 208 N 6.87 0.03 -2.09 0.52 -0.02 -1.26 -4.59 135.00 134.46 1i1a n PRO 208 Ca 0.51 0.39 -0.43 0.00 -2.02 0.00 0.00 63.50 61.95 1i1a n PRO 208 Cb -0.04 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 1i1a n PRO 208 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1i1a s GLU 209 N -2.85 3.86 -0.15 -0.52 8.01 -1.26 -4.99 118.70 120.81 1i1a s GLU 209 Ca -0.01 1.76 -0.17 0.00 0.01 0.00 0.00 54.97 56.57 1i1a s GLU 209 Cb 0.01 -4.03 0.04 0.00 -4.31 0.00 0.00 34.13 25.85 1i1a s GLU 209 CO 0.04 -1.22 0.46 -1.17 0.01 0.00 0.00 175.26 173.38 1i1a s LEU 210 N 5.02 0.26 -0.23 1.80 2.96 -1.26 -4.67 118.68 122.56 1i1a s LEU 210 Ca 0.72 0.82 0.02 0.00 -0.22 0.00 0.00 54.13 55.47 1i1a s LEU 210 Cb -0.26 1.60 0.05 0.00 0.50 0.00 0.00 46.19 48.07 1i1a s LEU 210 CO 0.29 -0.22 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.42 1i1a s LYS 211 N -0.02 2.47 0.22 1.98 1.02 -0.93 -4.96 119.74 119.53 1i1a s LYS 211 Ca -0.02 -1.15 -0.21 0.00 0.02 0.00 0.00 55.97 54.61 1i1a s LYS 211 Cb -0.03 -2.76 -0.08 0.00 -0.52 0.00 0.00 37.83 34.43 1i1a s LYS 211 CO 0.02 -0.44 0.75 -0.06 -0.92 0.00 0.00 175.35 174.69 1i1a s PHE 212 N 1.18 3.68 -0.10 3.18 0.08 -1.26 -1.55 117.98 123.19 1i1a s PHE 212 Ca -0.04 1.45 -0.04 0.00 0.12 0.00 0.00 56.93 58.41 1i1a s PHE 212 Cb -0.17 -2.66 0.05 0.00 -0.57 0.00 0.00 43.02 39.67 1i1a s PHE 212 CO -0.08 0.34 0.21 0.50 -0.10 0.00 0.00 175.22 176.10 1i1a s ARG 213 N -1.90 0.14 0.26 0.44 3.52 0.12 -4.76 118.95 116.78 1i1a s ARG 213 Ca 0.43 0.56 -0.15 0.00 -0.13 0.00 0.00 55.73 56.43 1i1a s ARG 213 Cb -0.17 -0.14 -0.08 0.00 -1.56 0.00 0.00 34.95 32.99 1i1a s ARG 213 CO 0.22 -0.22 0.68 -0.06 -0.81 0.00 0.00 175.30 175.11 1i1a s PHE 214 N 1.70 3.47 -0.10 5.12 0.08 -0.91 -0.13 117.98 127.21 1i1a s PHE 214 Ca -0.05 1.18 -0.01 0.00 0.12 0.00 0.00 56.93 58.18 1i1a s PHE 214 Cb -0.11 -2.49 0.03 0.00 -0.57 0.00 0.00 43.02 39.87 1i1a s PHE 214 CO -0.08 0.21 -0.06 -0.51 -0.10 0.00 0.00 175.22 174.69 1i1a s LEU 215 N -2.61 1.05 -0.19 -0.37 1.43 -0.96 -1.61 118.68 115.41 1i1a s LEU 215 Ca 0.49 -0.25 -0.06 0.00 -1.03 0.00 0.00 54.13 53.28 1i1a s LEU 215 Cb -0.12 -0.74 -0.03 0.00 0.03 0.00 0.00 46.19 45.32 1i1a s LEU 215 CO 0.19 -0.13 0.02 -0.60 0.23 0.00 0.00 176.35 176.05 1i1a s ARG 216 N 1.76 3.72 -0.89 1.70 3.52 -0.68 0.15 118.95 128.22 1i1a s ARG 216 Ca 0.05 -0.47 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 1i1a s ARG 216 Cb -0.12 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 1i1a s ARG 216 CO -0.07 0.09 0.00 0.09 -0.81 0.00 0.00 175.30 174.60 1i1a n ASN 217 N 4.03 -2.21 0.00 -2.12 4.13 0.17 -0.86 115.26 118.41 1i1a n ASN 217 Ca -0.17 0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.30 1i1a n ASN 217 Cb 0.52 -2.25 0.00 0.00 -1.54 0.00 0.00 39.78 36.51 1i1a n ASN 217 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1i1a n GLY 218 N -0.16 2.45 3.84 7.41 0.00 -1.26 -5.07 105.19 112.40 1i1a n GLY 218 Ca -0.08 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 1i1a n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i1a s LEU 219 N 0.00 4.34 0.19 0.99 1.43 -0.04 -4.93 118.68 120.66 1i1a s LEU 219 Ca 0.00 1.12 -0.29 0.00 -1.03 0.00 0.00 54.13 53.93 1i1a s LEU 219 Cb 0.00 -3.31 -0.17 0.00 0.03 0.00 0.00 46.19 42.74 1i1a s LEU 219 CO 0.00 0.09 0.59 0.00 0.23 0.00 0.00 176.35 177.26 1i1a n ALA 220 N 0.79 -2.79 -1.50 4.21 0.00 -1.26 -1.69 120.51 118.26 1i1a n ALA 220 Ca -0.05 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1i1a n ALA 220 Cb 0.52 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1i1a n ALA 220 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i1a n SER 221 N 1.93 0.00 0.00 0.00 2.88 -0.63 -4.69 113.62 113.11 1i1a n SER 221 Ca 0.18 -1.44 0.00 0.00 -1.33 0.00 0.00 58.87 56.27 1i1a n SER 221 Cb 0.24 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 1i1a n SER 221 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1i1a n GLY 222 N 0.00 0.67 0.00 0.46 0.00 -1.26 -4.87 105.19 100.20 1i1a n GLY 222 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1i1a n GLY 222 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i1a n SER 223 N 1.04 0.21 0.00 1.61 3.41 -1.26 -2.14 113.62 116.49 1i1a n SER 223 Ca 0.00 -0.70 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 1i1a n SER 223 Cb 0.00 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1i1a n SER 223 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i1a n GLY 224 N 0.11 0.70 2.84 5.00 0.00 -1.26 -4.34 105.19 108.25 1i1a n GLY 224 Ca 0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 1i1a n GLY 224 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i1a s ASN 225 N -4.00 4.21 0.48 1.61 0.01 -0.79 -4.82 114.94 111.64 1i1a s ASN 225 Ca 0.00 -2.17 -0.24 0.00 -0.71 0.00 0.00 52.86 49.74 1i1a s ASN 225 Cb 0.00 -1.23 -0.07 0.00 0.41 0.00 0.00 41.25 40.36 1i1a s ASN 225 CO 0.00 -0.35 1.31 0.00 -1.51 0.00 0.00 177.10 176.55 1i1a s SER 227 N -0.93 -0.59 0.18 0.00 0.01 -0.26 -4.98 113.70 107.13 1i1a s SER 227 Ca 0.64 1.14 0.11 0.00 1.31 0.00 0.00 55.95 59.15 1i1a s SER 227 Cb -0.37 1.31 -0.04 0.00 0.21 0.00 0.00 66.02 67.12 1i1a s SER 227 CO 0.46 -0.22 -0.25 0.28 0.41 0.00 0.00 173.24 173.92 1i1a s THR 228 N 2.10 2.33 0.24 1.44 -1.32 -1.26 -0.92 115.64 118.25 1i1a s THR 228 Ca -0.06 -1.96 -0.16 0.00 -1.21 0.00 0.00 61.69 58.30 1i1a s THR 228 Cb -0.10 -2.10 0.01 0.00 -1.51 0.00 0.00 72.50 68.81 1i1a s THR 228 CO -0.15 -0.06 0.54 -0.83 -2.21 0.00 0.00 174.62 171.91 1i1a s GLY 229 N -2.51 0.22 0.21 6.08 0.00 0.32 -4.96 107.32 106.68 1i1a s GLY 229 Ca 0.19 -0.58 -0.17 0.00 0.00 0.00 0.00 44.72 44.16 1i1a s GLY 229 CO 0.09 -0.41 0.67 2.56 0.00 0.00 0.00 173.10 176.00 1i1a s PRO 230 N -3.96 4.12 0.14 2.90 0.04 -1.26 0.86 135.00 137.84 1i1a s PRO 230 Ca 0.16 0.70 0.24 0.00 0.04 0.00 0.00 61.00 62.14 1i1a s PRO 230 Cb -0.02 -2.83 0.28 0.00 0.04 0.00 0.00 34.50 31.97 1i1a s PRO 230 CO 0.05 0.39 1.27 -0.91 0.04 0.00 0.00 177.00 177.84 1i1a h ASN 231 N 3.28 0.00 0.00 6.66 2.35 -1.47 -3.44 115.58 122.97 1i1a h ASN 231 Ca -0.48 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.09 1i1a h ASN 231 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 1i1a h ASN 231 CO 0.66 0.09 0.00 0.61 -1.65 0.00 0.00 177.43 177.14 1i1a n GLY 232 N 1.31 1.79 0.09 2.83 0.00 -1.26 -4.76 105.19 105.19 1i1a n GLY 232 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1i1a n GLY 232 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1i1a h ASP 233 N 0.00 0.00 0.00 1.61 1.82 -2.01 -3.46 116.42 114.39 1i1a h ASP 233 Ca 0.00 -0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 1i1a h ASP 233 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1i1a h ASP 233 CO 0.00 0.07 0.00 0.61 -1.61 0.00 0.00 179.24 178.31 1i1a n GLY 234 N 1.29 1.26 2.86 -0.78 0.00 -1.26 -5.06 105.19 103.51 1i1a n GLY 234 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 1i1a n GLY 234 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i1a n SER 235 N 0.00 1.22 -4.42 1.61 3.41 -1.26 -4.93 113.62 109.24 1i1a n SER 235 Ca 0.00 -1.96 -0.22 0.00 -0.26 0.00 0.00 58.87 56.44 1i1a n SER 235 Cb 0.00 -0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 63.44 1i1a n SER 235 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1i1a s PHE 236 N -1.98 2.01 0.01 7.33 0.40 0.57 -1.25 117.98 125.08 1i1a s PHE 236 Ca 0.47 -0.53 0.07 0.00 -0.60 0.00 0.00 56.93 56.34 1i1a s PHE 236 Cb -0.03 -1.00 -0.02 0.00 0.51 0.00 0.00 43.02 42.48 1i1a s PHE 236 CO 0.31 0.46 -0.20 -1.58 0.70 0.00 0.00 175.22 174.91 1i1a s HIS 237 N -2.81 1.76 -0.03 0.36 2.46 0.25 -2.19 115.29 115.09 1i1a s HIS 237 Ca 0.28 -0.35 -0.13 0.00 0.47 0.00 0.00 55.06 55.33 1i1a s HIS 237 Cb -0.00 -1.09 0.02 0.00 -0.13 0.00 0.00 32.58 31.37 1i1a s HIS 237 CO 0.12 0.03 0.28 0.00 -2.47 0.00 0.00 174.74 172.69 1i1a s ALA 238 N -0.63 -0.69 0.05 1.58 0.00 -0.65 0.12 121.76 121.52 1i1a s ALA 238 Ca 0.07 0.34 -0.09 0.00 0.00 0.00 0.00 51.96 52.29 1i1a s ALA 238 Cb -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1i1a s ALA 238 CO 0.00 -0.23 0.18 1.67 0.00 0.00 0.00 175.76 177.39 1i1a s TRP 239 N -1.05 0.09 -0.02 0.00 -2.14 -0.10 0.15 118.94 115.88 1i1a s TRP 239 Ca -0.11 -0.36 -0.00 0.00 2.66 0.00 0.00 56.10 58.29 1i1a s TRP 239 Cb -0.05 -0.05 0.02 0.00 -3.10 0.00 0.00 33.47 30.29 1i1a s TRP 239 CO 0.03 -0.44 0.03 0.45 -2.66 0.00 0.00 176.95 174.36 1i1a s SER 240 N -2.23 0.03 -0.08 -2.66 0.15 -0.77 -1.10 113.70 107.04 1i1a s SER 240 Ca -0.03 0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.67 1i1a s SER 240 Cb 0.00 -0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.27 1i1a s SER 240 CO -0.05 -0.08 -0.10 -0.76 1.20 0.00 0.00 173.24 173.45 1i1a s LEU 241 N 0.62 2.97 -0.11 3.45 1.43 -1.21 -0.86 118.68 124.97 1i1a s LEU 241 Ca -0.05 -0.14 -0.03 0.00 -1.03 0.00 0.00 54.13 52.88 1i1a s LEU 241 Cb -0.07 -1.65 0.04 0.00 0.03 0.00 0.00 46.19 44.54 1i1a s LEU 241 CO -0.02 0.30 0.06 -0.22 0.23 0.00 0.00 176.35 176.70 1i1a s LEU 242 N -0.47 0.39 0.07 1.79 2.96 -0.02 -1.88 118.68 121.51 1i1a s LEU 242 Ca 0.06 -0.28 -0.28 0.00 -0.22 0.00 0.00 54.13 53.41 1i1a s LEU 242 Cb -0.12 -0.27 -0.05 0.00 0.50 0.00 0.00 46.19 46.25 1i1a s LEU 242 CO 0.02 -0.28 0.90 -0.70 -1.32 0.00 0.00 176.35 174.97 1i1a s GLU 243 N 2.10 4.61 0.33 1.98 2.12 -1.26 -0.38 118.70 128.19 1i1a s GLU 243 Ca 0.03 1.32 0.04 0.00 0.36 0.00 0.00 54.97 56.72 1i1a s GLU 243 Cb -0.14 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 1i1a s GLU 243 CO -0.06 0.18 0.17 0.14 -0.54 0.00 0.00 175.26 175.15 1i1a s VAL 244 N 0.20 0.34 -0.27 3.70 -7.23 0.08 -4.96 120.40 112.26 1i1a s VAL 244 Ca 0.45 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.33 1i1a s VAL 244 Cb -0.22 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 1i1a s VAL 244 CO 0.27 0.00 1.56 -1.59 -0.31 0.00 0.00 175.10 175.03 1i1a s LYS 245 N -3.72 3.74 0.63 4.82 -2.85 -1.26 -2.36 119.74 118.74 1i1a s LYS 245 Ca 0.34 1.48 -0.17 0.00 -1.00 0.00 0.00 55.97 56.62 1i1a s LYS 245 Cb 0.04 -4.02 -0.10 0.00 -2.06 0.00 0.00 37.83 31.68 1i1a s LYS 245 CO 0.19 -1.35 0.14 -2.13 0.10 0.00 0.00 175.35 172.30 1i1a n ARG 246 N 7.72 0.21 0.00 1.78 0.63 -1.24 -1.77 116.66 123.99 1i1a n ARG 246 Ca 0.18 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 1i1a n ARG 246 Cb 0.46 -1.40 0.00 0.00 0.45 0.00 0.00 32.46 31.97 1i1a n ARG 246 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1i1a n GLY 247 N 2.20 1.78 0.26 5.14 0.00 -1.26 -4.73 105.19 108.58 1i1a n GLY 247 Ca 0.08 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.03 1i1a n GLY 247 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i1a n ASP 248 N 1.49 0.75 -0.31 1.61 10.43 -0.73 -4.49 116.55 125.30 1i1a n ASP 248 Ca 0.00 -1.89 -0.08 0.00 2.57 0.00 0.00 54.79 55.39 1i1a n ASP 248 Cb 0.00 -0.08 -0.07 0.00 1.84 0.00 0.00 41.12 42.81 1i1a n ASP 248 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1i1a n GLU 249 N -0.14 -0.32 0.00 -1.24 4.71 -1.26 -1.27 120.64 121.12 1i1a n GLU 249 Ca 0.07 1.11 0.03 0.00 -0.01 0.00 0.00 57.16 58.36 1i1a n GLU 249 Cb 0.13 -1.64 0.15 0.00 -1.01 0.00 0.00 31.44 29.07 1i1a n GLU 249 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1i1a n HIS 250 N -4.93 0.00 1.38 -0.32 8.25 -1.26 -2.13 115.22 116.21 1i1a n HIS 250 Ca 0.02 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.61 1i1a n HIS 250 Cb 0.19 -0.20 0.55 0.00 1.12 0.00 0.00 29.99 31.65 1i1a n HIS 250 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1i1a n HIS 251 N -1.20 0.00 -4.21 4.41 8.25 -0.40 -4.84 115.22 117.23 1i1a n HIS 251 Ca 0.03 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.18 1i1a n HIS 251 Cb 0.04 -0.16 -0.09 0.00 1.12 0.00 0.00 29.99 30.90 1i1a n HIS 251 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1i1a s TYR 252 N -2.45 2.93 0.35 4.41 1.51 -0.91 0.46 117.35 123.65 1i1a s TYR 252 Ca 0.28 -0.04 0.03 0.00 -1.01 0.00 0.00 57.07 56.33 1i1a s TYR 252 Cb 0.20 -1.54 -0.01 0.00 -0.11 0.00 0.00 41.96 40.50 1i1a s TYR 252 CO 0.48 0.45 0.10 1.04 -1.11 0.00 0.00 175.55 176.51 1i1a n GLN 253 N 0.82 0.71 -4.06 -0.62 6.02 0.12 -4.78 117.38 115.58 1i1a n GLN 253 Ca -0.12 -2.85 -0.14 0.00 -0.01 0.00 0.00 57.00 53.87 1i1a n GLN 253 Cb 0.52 1.41 -0.14 0.00 1.02 0.00 0.00 30.24 33.05 1i1a n GLN 253 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1i1a s GLN 255 N -0.34 0.64 0.14 0.00 0.74 0.81 0.71 119.66 122.37 1i1a s GLN 255 Ca -0.01 -0.53 0.07 0.00 0.05 0.00 0.00 55.36 54.94 1i1a s GLN 255 Cb -0.03 -0.57 -0.04 0.00 1.10 0.00 0.00 33.01 33.47 1i1a s GLN 255 CO -0.00 0.14 -0.15 0.14 -0.55 0.00 0.00 175.29 174.87 1i1a s VAL 256 N -0.70 1.50 -0.03 1.34 -7.23 0.94 0.12 120.40 116.34 1i1a s VAL 256 Ca -0.01 -1.83 0.04 0.00 -1.81 0.00 0.00 61.98 58.36 1i1a s VAL 256 Cb -0.06 -1.68 -0.00 0.00 0.56 0.00 0.00 36.38 35.20 1i1a s VAL 256 CO 0.00 -0.41 -0.14 -1.61 -0.31 0.00 0.00 175.10 172.63 1i1a s GLU 257 N -2.82 1.42 -0.15 4.82 2.02 -0.59 -0.59 118.70 122.80 1i1a s GLU 257 Ca 0.12 -0.49 -0.30 0.00 0.02 0.00 0.00 54.97 54.32 1i1a s GLU 257 Cb -0.05 -1.27 0.13 0.00 0.10 0.00 0.00 34.13 33.04 1i1a s GLU 257 CO 0.04 0.21 1.04 -1.58 0.02 0.00 0.00 175.26 174.99 1i1a s HIS 258 N 0.05 -0.30 0.45 1.61 2.46 -1.26 -2.18 115.29 116.10 1i1a s HIS 258 Ca -0.02 0.44 0.36 0.00 0.47 0.00 0.00 55.06 56.31 1i1a s HIS 258 Cb -0.10 0.48 1.86 0.00 -0.13 0.00 0.00 32.58 34.69 1i1a s HIS 258 CO 0.01 -0.32 2.19 0.93 -2.47 0.00 0.00 174.74 175.08 1i1a h GLU 259 N 2.36 0.00 0.00 2.88 5.08 -1.94 0.67 114.58 123.63 1i1a h GLU 259 Ca -0.17 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 1i1a h GLU 259 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1i1a h GLU 259 CO 0.29 0.03 -0.29 0.78 -1.00 0.00 0.00 179.01 178.82 1i1a h GLY 260 N 0.77 0.00 -5.98 -3.84 0.00 -1.95 -3.42 103.07 88.65 1i1a h GLY 260 Ca -0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 1i1a h GLY 260 CO 0.00 0.00 -0.50 1.08 0.00 0.00 0.00 176.54 177.12 1i1a s LEU 261 N -7.45 4.19 0.10 3.11 1.43 0.23 -4.42 118.68 115.87 1i1a s LEU 261 Ca -0.02 0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 53.24 1i1a s LEU 261 Cb 0.13 -2.05 -0.14 0.00 0.03 0.00 0.00 46.19 44.16 1i1a s LEU 261 CO 0.67 0.27 1.33 0.00 0.23 0.00 0.00 176.35 178.85 1i1a h ALA 262 N 6.00 0.34 -2.43 4.21 0.00 -1.82 -3.42 119.26 122.14 1i1a h ALA 262 Ca -0.46 -0.55 -0.42 0.00 0.00 0.00 0.00 54.91 53.48 1i1a h ALA 262 Cb 1.18 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.78 1i1a h ALA 262 CO 0.68 0.61 -0.74 1.14 0.00 0.00 0.00 179.25 180.94 1i1a s GLN 263 N -3.89 1.20 0.49 0.00 -2.07 -1.26 -5.08 119.66 109.04 1i1a s GLN 263 Ca -0.11 -1.47 -0.23 0.00 -1.82 0.00 0.00 55.36 51.73 1i1a s GLN 263 Cb 0.09 -0.99 -0.08 0.00 -1.09 0.00 0.00 33.01 30.93 1i1a s GLN 263 CO 0.88 0.17 1.18 -2.30 -1.32 0.00 0.00 175.29 173.90 1i1a n PRO 264 N -0.09 1.57 -4.04 9.60 -0.02 -1.26 -4.89 135.00 135.86 1i1a n PRO 264 Ca -0.10 0.57 -0.35 0.00 -2.02 0.00 0.00 63.50 61.60 1i1a n PRO 264 Cb 0.59 -2.32 -0.14 0.00 -0.02 0.00 0.00 33.50 31.62 1i1a n PRO 264 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1i1a s LEU 265 N -1.93 3.01 -0.18 2.45 2.96 0.25 -4.91 118.68 120.32 1i1a s LEU 265 Ca 0.67 -0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 54.17 1i1a s LEU 265 Cb -0.48 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1i1a s LEU 265 CO 0.54 0.03 0.10 -0.89 -1.32 0.00 0.00 176.35 174.80 1i1a s THR 266 N 1.22 5.15 0.24 3.68 2.01 -1.26 -0.04 115.64 126.63 1i1a s THR 266 Ca 0.03 0.09 0.10 0.00 0.31 0.00 0.00 61.69 62.22 1i1a s THR 266 Cb -0.14 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 1i1a s THR 266 CO -0.01 0.47 -0.19 0.68 -0.69 0.00 0.00 174.62 174.89 1i1a s VAL 267 N 0.16 2.18 0.46 3.82 -7.23 0.22 -4.96 120.40 115.06 1i1a s VAL 267 Ca 0.07 -2.25 0.03 0.00 -1.81 0.00 0.00 61.98 58.02 1i1a s VAL 267 Cb -0.12 -2.15 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 1i1a s VAL 267 CO -0.00 -0.41 0.06 -1.81 -0.31 0.00 0.00 175.10 172.63 1i1a s ASP 268 N -3.25 3.52 0.00 4.85 1.01 -1.26 -1.89 116.67 119.65 1i1a s ASP 268 Ca 0.25 -1.65 0.27 0.00 0.71 0.00 0.00 52.55 52.13 1i1a s ASP 268 Cb -0.04 0.48 0.88 0.00 1.01 0.00 0.00 42.92 45.25 1i1a s ASP 268 CO 0.11 -0.87 1.65 0.18 0.21 0.00 0.00 175.17 176.45