#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i6a s VAL 4 N 0.00 0.84 0.43 -3.33 -7.23 -1.26 -5.14 120.40 104.71 2i6a s VAL 4 Ca 0.00 -0.32 -0.07 0.00 -1.81 0.00 0.00 61.98 59.78 2i6a s VAL 4 Cb 0.00 -0.79 0.10 0.00 0.56 0.00 0.00 36.38 36.25 2i6a s VAL 4 CO 0.00 0.28 0.55 0.54 -0.31 0.00 0.00 175.10 176.16 2i6a n ARG 5 N 3.81 -0.79 -2.83 4.82 3.00 -1.26 -4.43 116.66 118.98 2i6a n ARG 5 Ca -0.23 -0.85 -0.33 0.00 -0.01 0.00 0.00 57.85 56.43 2i6a n ARG 5 Cb 0.52 -0.60 -0.07 0.00 0.00 0.00 0.00 32.46 32.31 2i6a n ARG 5 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2i6a s GLU 6 N -4.20 4.25 -0.12 5.56 -1.05 -1.26 -3.67 118.70 118.21 2i6a s GLU 6 Ca 0.32 1.12 0.00 0.00 -0.15 0.00 0.00 54.97 56.26 2i6a s GLU 6 Cb -0.01 -2.24 0.00 0.00 -0.44 0.00 0.00 34.13 31.44 2i6a s GLU 6 CO 0.22 0.00 0.00 0.09 0.95 0.00 0.00 175.26 176.52 2i6a n ASN 7 N -0.54 -4.08 0.23 0.83 4.13 0.96 -4.87 115.26 111.92 2i6a n ASN 7 Ca 0.06 0.03 0.16 0.00 1.68 0.00 0.00 54.58 56.51 2i6a n ASN 7 Cb 0.54 -1.68 0.75 0.00 -1.54 0.00 0.00 39.78 37.85 2i6a n ASN 7 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 2i6a h ILE 8 N 0.00 0.00 -3.34 2.41 2.10 -1.29 -3.07 117.51 114.33 2i6a h ILE 8 Ca -0.02 -0.19 -0.62 0.00 1.08 0.00 0.00 64.86 65.11 2i6a h ILE 8 Cb 0.39 0.99 -0.33 0.00 -1.09 0.00 0.00 36.82 36.78 2i6a h ILE 8 CO 0.03 0.00 -0.85 -0.22 -1.08 0.00 0.00 178.15 176.03 2i6a s LEU 9 N -5.34 1.90 0.05 2.19 0.20 -0.69 -1.23 118.68 115.77 2i6a s LEU 9 Ca -0.01 -0.47 0.08 0.00 0.69 0.00 0.00 54.13 54.43 2i6a s LEU 9 Cb 0.09 -1.19 -0.03 0.00 -0.43 0.00 0.00 46.19 44.63 2i6a s LEU 9 CO 0.39 0.09 -0.23 0.12 -0.29 0.00 0.00 176.35 176.43 2i6a s PHE 10 N 0.59 2.42 -0.02 5.38 2.19 0.25 -0.14 117.98 128.65 2i6a s PHE 10 Ca -0.14 -0.34 -0.18 0.00 0.33 0.00 0.00 56.93 56.59 2i6a s PHE 10 Cb -0.17 -1.41 0.03 0.00 -1.31 0.00 0.00 43.02 40.17 2i6a s PHE 10 CO 0.05 0.20 0.39 0.20 1.83 0.00 0.00 175.22 177.89 2i6a s GLY 11 N -1.41 -0.25 -0.07 13.12 0.00 -0.89 -0.45 107.32 117.37 2i6a s GLY 11 Ca 0.13 0.56 -0.12 0.00 0.00 0.00 0.00 44.72 45.30 2i6a s GLY 11 CO 0.04 0.32 0.28 -3.16 0.00 0.00 0.00 173.10 170.58 2i6a s MET 12 N -1.28 0.47 0.00 2.90 0.23 -1.24 -1.91 119.30 118.48 2i6a s MET 12 Ca -0.13 0.12 0.00 0.00 -1.03 0.00 0.00 55.69 54.65 2i6a s MET 12 Cb -0.04 0.22 0.00 0.00 -1.53 0.00 0.00 34.83 33.48 2i6a s MET 12 CO 0.06 -0.10 0.00 0.41 -2.03 0.00 0.00 175.02 173.36 2i6a n GLY 13 N 2.20 -1.11 3.59 3.16 0.00 -0.94 -4.31 105.19 107.78 2i6a n GLY 13 Ca -0.17 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 2i6a n GLY 13 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2i6a s ASN 14 N -4.00 6.63 -0.73 1.61 0.01 -1.26 -4.41 114.94 112.79 2i6a s ASN 14 Ca 0.00 0.44 -0.27 0.00 -0.71 0.00 0.00 52.86 52.32 2i6a s ASN 14 Cb 0.00 -2.49 0.03 0.00 0.41 0.00 0.00 41.25 39.20 2i6a s ASN 14 CO 0.00 -1.04 1.30 -2.16 -1.51 0.00 0.00 177.10 173.69 2i6a s PRO 15 N 3.87 3.17 0.25 -0.60 0.04 -1.26 -4.26 135.00 136.21 2i6a s PRO 15 Ca 0.41 -0.20 0.09 0.00 0.04 0.00 0.00 61.00 61.34 2i6a s PRO 15 Cb -0.10 -4.19 -0.04 0.00 0.04 0.00 0.00 34.50 30.21 2i6a s PRO 15 CO 0.25 -2.17 0.05 -0.51 0.04 0.00 0.00 177.00 174.65 2i6a s LEU 16 N 5.88 3.37 -0.25 -3.56 1.43 -1.24 -4.29 118.68 120.01 2i6a s LEU 16 Ca 0.36 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.91 2i6a s LEU 16 Cb -0.08 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.24 2i6a s LEU 16 CO 0.15 0.00 -0.01 -0.22 0.23 0.00 0.00 176.35 176.50 2i6a s LEU 17 N -3.64 3.25 0.09 1.79 2.96 -0.84 -0.17 118.68 122.13 2i6a s LEU 17 Ca 0.31 -0.62 -0.31 0.00 -0.22 0.00 0.00 54.13 53.30 2i6a s LEU 17 Cb -0.07 -1.76 -0.06 0.00 0.50 0.00 0.00 46.19 44.80 2i6a s LEU 17 CO 0.21 -0.10 1.22 -1.81 -1.32 0.00 0.00 176.35 174.55 2i6a s ASP 18 N 1.44 7.06 -0.32 3.68 1.01 0.67 -2.77 116.67 127.44 2i6a s ASP 18 Ca 0.03 2.09 0.01 0.00 0.71 0.00 0.00 52.55 55.40 2i6a s ASP 18 Cb -0.16 -2.58 0.08 0.00 1.01 0.00 0.00 42.92 41.27 2i6a s ASP 18 CO -0.02 -0.47 0.01 -0.63 0.21 0.00 0.00 175.17 174.27 2i6a s ILE 19 N 0.84 2.54 0.05 0.77 1.01 0.59 -2.38 121.20 124.62 2i6a s ILE 19 Ca 0.58 -1.87 0.08 0.00 0.00 0.00 0.00 60.65 59.44 2i6a s ILE 19 Cb -0.31 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 2i6a s ILE 19 CO 0.31 -0.32 -0.21 -0.94 0.00 0.00 0.00 174.94 173.78 2i6a s SER 20 N 1.17 3.62 0.16 3.58 1.04 -0.79 -0.90 113.70 121.58 2i6a s SER 20 Ca 0.01 -0.48 -0.18 0.00 0.48 0.00 0.00 55.95 55.78 2i6a s SER 20 Cb -0.20 -0.51 0.04 0.00 0.10 0.00 0.00 66.02 65.45 2i6a s SER 20 CO -0.05 0.25 0.49 0.00 0.98 0.00 0.00 173.24 174.91 2i6a s ALA 21 N -0.90 -1.08 -0.16 5.32 0.00 -1.12 -0.38 121.76 123.45 2i6a s ALA 21 Ca 0.14 0.02 -0.18 0.00 0.00 0.00 0.00 51.96 51.93 2i6a s ALA 21 Cb -0.10 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 2i6a s ALA 21 CO 0.04 -0.72 0.51 0.08 0.00 0.00 0.00 175.76 175.67 2i6a s VAL 22 N -3.81 5.14 0.00 0.00 1.01 -1.26 -1.03 120.40 120.45 2i6a s VAL 22 Ca 0.05 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.00 2i6a s VAL 22 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2i6a s VAL 22 CO -0.09 0.25 0.00 1.33 0.00 0.00 0.00 175.10 176.59 2i6a n VAL 23 N 4.11 0.00 -4.11 2.92 0.24 0.13 -4.74 118.33 116.89 2i6a n VAL 23 Ca -0.06 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.10 2i6a n VAL 23 Cb 0.51 -0.02 -0.11 0.00 -1.47 0.00 0.00 33.84 32.75 2i6a n VAL 23 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2i6a s ASP 24 N -0.36 1.12 0.66 -1.34 -4.77 -1.26 -4.73 116.67 105.99 2i6a s ASP 24 Ca 0.00 -0.64 0.15 0.00 -3.30 0.00 0.00 52.55 48.77 2i6a s ASP 24 Cb 0.00 0.02 0.81 0.00 -1.09 0.00 0.00 42.92 42.66 2i6a s ASP 24 CO 0.00 -0.21 1.45 0.50 0.70 0.00 0.00 175.17 177.61 2i6a h LYS 25 N 4.20 0.00 0.02 2.11 3.64 -1.99 1.71 116.57 126.26 2i6a h LYS 25 Ca -0.37 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.81 2i6a h LYS 25 Cb 1.19 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2i6a h LYS 25 CO 0.44 0.00 -0.95 -0.44 -2.27 0.00 0.00 179.45 176.23 2i6a h ASP 26 N 0.00 0.11 -0.02 4.20 3.45 -1.98 -1.78 116.42 120.41 2i6a h ASP 26 Ca 0.02 -0.11 -0.00 0.00 0.43 0.00 0.00 57.03 57.37 2i6a h ASP 26 Cb 1.40 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 40.13 2i6a h ASP 26 CO -0.00 0.99 -0.00 0.15 -1.57 0.00 0.00 179.24 178.81 2i6a h PHE 27 N 0.03 0.04 -0.81 4.55 3.57 0.22 -1.35 116.94 123.19 2i6a h PHE 27 Ca -0.03 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.48 2i6a h PHE 27 Cb 1.64 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 40.32 2i6a h PHE 27 CO 0.02 0.34 0.52 -0.07 -2.23 0.00 0.00 178.31 176.89 2i6a h LEU 28 N -0.28 0.88 -0.85 0.59 3.38 -1.47 -2.56 115.31 115.00 2i6a h LEU 28 Ca 0.01 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2i6a h LEU 28 Cb 0.33 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2i6a h LEU 28 CO 0.00 0.62 -0.56 0.44 0.09 0.00 0.00 178.44 179.03 2i6a h ASP 29 N 1.04 0.00 -0.62 -0.43 3.32 -1.30 0.57 116.42 119.00 2i6a h ASP 29 Ca 0.31 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.30 2i6a h ASP 29 Cb -0.04 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 2i6a h ASP 29 CO -0.10 0.56 0.15 0.11 -1.72 0.00 0.00 179.24 178.24 2i6a h LYS 30 N 0.00 1.02 -0.46 3.56 6.56 -0.82 -2.46 116.57 123.96 2i6a h LYS 30 Ca -0.01 -0.23 -0.02 0.00 -1.06 0.00 0.00 60.65 59.33 2i6a h LYS 30 Cb 1.01 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.52 2i6a h LYS 30 CO 0.07 0.90 0.02 0.66 -2.06 0.00 0.00 179.45 179.05 2i6a n TYR 31 N -4.24 1.65 -4.19 -1.35 4.02 -1.14 -4.96 117.16 106.95 2i6a n TYR 31 Ca 0.05 -0.85 -0.36 0.00 -0.01 0.00 0.00 57.90 56.72 2i6a n TYR 31 Cb 0.25 -0.45 -0.05 0.00 -0.02 0.00 0.00 39.34 39.07 2i6a n TYR 31 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2i6a n SER 32 N 0.06 -1.00 -4.96 7.72 3.41 -0.16 -4.94 113.62 113.76 2i6a n SER 32 Ca 0.27 -1.25 -0.23 0.00 -0.26 0.00 0.00 58.87 57.40 2i6a n SER 32 Cb 1.10 -1.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.50 2i6a n SER 32 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2i6a s LEU 33 N -7.31 4.30 -0.18 1.04 1.43 0.18 -5.00 118.68 113.14 2i6a s LEU 33 Ca 0.19 0.16 -0.08 0.00 -1.03 0.00 0.00 54.13 53.37 2i6a s LEU 33 Cb -0.11 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 2i6a s LEU 33 CO 0.95 -0.04 0.07 -0.54 0.23 0.00 0.00 176.35 177.03 2i6a s LYS 34 N -3.70 4.00 0.20 1.70 1.02 -1.26 -4.66 119.74 117.05 2i6a s LYS 34 Ca 0.35 -0.32 0.10 0.00 0.02 0.00 0.00 55.97 56.11 2i6a s LYS 34 Cb -0.10 -3.24 0.69 0.00 -0.52 0.00 0.00 37.83 34.66 2i6a s LYS 34 CO 0.29 0.29 0.89 -0.35 -0.92 0.00 0.00 175.35 175.55 2i6a n PRO 35 N 3.50 -0.04 -3.73 -1.68 -0.04 -1.26 -3.70 135.00 128.05 2i6a n PRO 35 Ca -0.17 0.80 -0.25 0.00 -0.04 0.00 0.00 63.50 63.84 2i6a n PRO 35 Cb 0.52 -1.39 -0.17 0.00 -0.04 0.00 0.00 33.50 32.42 2i6a n PRO 35 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2i6a s ASN 36 N -4.79 2.27 -0.01 3.54 2.47 -1.26 -1.79 114.94 115.37 2i6a s ASN 36 Ca -0.06 -0.48 -0.30 0.00 0.42 0.00 0.00 52.86 52.45 2i6a s ASN 36 Cb 0.19 -0.48 0.12 0.00 -1.45 0.00 0.00 41.25 39.62 2i6a s ASN 36 CO 0.44 -0.26 1.29 -0.62 -3.72 0.00 0.00 177.10 174.22 2i6a s ASP 37 N 1.94 -0.05 -0.10 -4.21 2.15 -1.00 -4.97 116.67 110.42 2i6a s ASP 37 Ca 0.02 -0.14 -0.03 0.00 0.43 0.00 0.00 52.55 52.82 2i6a s ASP 37 Cb -0.15 0.16 0.05 0.00 -0.30 0.00 0.00 42.92 42.69 2i6a s ASP 37 CO -0.07 -0.30 0.14 -1.10 -0.17 0.00 0.00 175.17 173.66 2i6a s GLN 38 N -2.40 0.03 0.16 4.34 -0.21 -1.26 -1.43 119.66 118.89 2i6a s GLN 38 Ca 0.15 0.39 -0.02 0.00 0.02 0.00 0.00 55.36 55.90 2i6a s GLN 38 Cb 0.05 -0.65 -0.04 0.00 1.00 0.00 0.00 33.01 33.37 2i6a s GLN 38 CO -0.04 -0.40 0.11 0.96 -2.12 0.00 0.00 175.29 173.80 2i6a s ILE 39 N 2.25 0.06 -0.05 1.08 -4.36 0.19 -4.77 121.20 115.61 2i6a s ILE 39 Ca 0.04 -1.88 -0.10 0.00 -0.26 0.00 0.00 60.65 58.45 2i6a s ILE 39 Cb -0.13 -2.18 -0.05 0.00 1.25 0.00 0.00 42.46 41.35 2i6a s ILE 39 CO -0.06 -0.28 0.27 -0.76 0.24 0.00 0.00 174.94 174.35 2i6a s LEU 40 N -3.08 4.42 0.53 0.37 1.43 -1.26 -0.97 118.68 120.12 2i6a s LEU 40 Ca 0.28 0.68 -0.22 0.00 -1.03 0.00 0.00 54.13 53.84 2i6a s LEU 40 Cb 0.07 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 2i6a s LEU 40 CO 0.05 0.34 1.36 0.00 0.23 0.00 0.00 176.35 178.33 2i6a s ALA 41 N -1.11 2.87 0.52 4.21 0.00 0.15 -4.80 121.76 123.59 2i6a s ALA 41 Ca 0.21 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.51 2i6a s ALA 41 Cb -0.14 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.41 2i6a s ALA 41 CO 0.10 -1.33 0.01 -1.21 0.00 0.00 0.00 175.76 173.33 2i6a s GLU 42 N -2.86 2.22 0.32 0.00 0.41 -1.26 -4.99 118.70 112.54 2i6a s GLU 42 Ca 0.70 -2.44 0.00 0.00 -0.41 0.00 0.00 54.97 52.82 2i6a s GLU 42 Cb -0.40 -1.44 0.54 0.00 -1.78 0.00 0.00 34.13 31.04 2i6a s GLU 42 CO 0.48 -0.43 1.98 -0.44 -0.49 0.00 0.00 175.26 176.37 2i6a h ASP 43 N 1.30 0.83 0.00 -0.19 3.32 -2.03 -1.67 116.42 117.99 2i6a h ASP 43 Ca -0.43 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2i6a h ASP 43 Cb 1.33 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2i6a h ASP 43 CO 0.72 0.61 0.00 2.29 -1.72 0.00 0.00 179.24 181.14 2i6a n LYS 44 N -4.42 0.58 0.00 3.56 2.85 -1.26 -2.20 118.16 117.27 2i6a n LYS 44 Ca 0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 2i6a n LYS 44 Cb 0.04 -1.25 0.00 0.00 -0.65 0.00 0.00 35.03 33.17 2i6a n LYS 44 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2i6a n HIS 45 N 0.12 0.00 -0.33 5.58 8.25 -0.63 -4.79 115.22 123.42 2i6a n HIS 45 Ca 0.00 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.67 2i6a n HIS 45 Cb 0.13 0.00 0.41 0.00 1.12 0.00 0.00 29.99 31.65 2i6a n HIS 45 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2i6a h LYS 46 N 0.00 0.07 0.00 -0.41 1.57 -1.51 1.55 116.57 117.84 2i6a h LYS 46 Ca 0.00 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2i6a h LYS 46 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2i6a h LYS 46 CO 0.00 0.04 -0.18 1.49 -0.57 0.00 0.00 179.45 180.23 2i6a h GLU 47 N 0.07 0.00 -0.31 3.15 4.81 -1.87 -3.29 114.58 117.14 2i6a h GLU 47 Ca 0.69 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.93 2i6a h GLU 47 Cb 1.60 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.96 2i6a h GLU 47 CO -0.80 0.18 0.19 1.25 -0.73 0.00 0.00 179.01 179.11 2i6a h LEU 48 N 0.00 0.32 -0.63 1.64 6.46 0.19 -2.98 115.31 120.31 2i6a h LEU 48 Ca -0.00 -0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.66 2i6a h LEU 48 Cb 0.58 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 2i6a h LEU 48 CO 0.02 0.24 -0.00 -0.26 -0.62 0.00 0.00 178.44 177.82 2i6a h PHE 49 N 0.40 1.17 -0.10 1.25 0.04 -1.62 -2.42 116.94 115.64 2i6a h PHE 49 Ca 0.12 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.68 2i6a h PHE 49 Cb -0.02 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 37.82 2i6a h PHE 49 CO -0.07 1.02 0.01 -0.44 -0.60 0.00 0.00 178.31 178.24 2i6a h ASP 50 N 0.98 0.17 1.82 2.17 3.32 -1.71 -3.08 116.42 120.08 2i6a h ASP 50 Ca 0.17 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2i6a h ASP 50 Cb 0.56 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2i6a h ASP 50 CO 0.03 0.41 0.00 1.05 -1.72 0.00 0.00 179.24 179.01 2i6a h GLU 51 N -0.08 0.00 -0.22 3.56 4.11 -1.59 -2.16 114.58 118.21 2i6a h GLU 51 Ca 0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.43 2i6a h GLU 51 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2i6a h GLU 51 CO 0.00 0.00 0.02 1.25 0.07 0.00 0.00 179.01 180.35 2i6a h LEU 52 N 0.00 0.37 -0.39 3.06 5.85 -1.41 0.21 115.31 123.00 2i6a h LEU 52 Ca 0.00 -0.29 -0.19 0.00 0.84 0.00 0.00 57.88 58.25 2i6a h LEU 52 Cb 0.91 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 2i6a h LEU 52 CO 0.00 0.57 -0.74 0.58 -0.34 0.00 0.00 178.44 178.51 2i6a h VAL 53 N 0.16 1.38 -0.04 1.05 2.07 -1.53 -1.95 116.25 117.39 2i6a h VAL 53 Ca 0.06 -2.15 -0.20 0.00 0.82 0.00 0.00 66.70 65.23 2i6a h VAL 53 Cb 0.37 2.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2i6a h VAL 53 CO 0.01 0.65 -0.82 0.11 0.02 0.00 0.00 177.57 177.54 2i6a h LYS 54 N 0.28 0.39 -0.01 1.57 1.57 -1.33 -3.35 116.57 115.69 2i6a h LYS 54 Ca -0.03 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2i6a h LYS 54 Cb 1.32 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.71 2i6a h LYS 54 CO 0.13 1.02 -0.57 1.63 -0.57 0.00 0.00 179.45 181.08 2i6a n LYS 55 N -3.79 1.71 -4.31 3.15 5.02 0.74 -5.04 118.16 115.64 2i6a n LYS 55 Ca -0.05 -0.36 -0.16 0.00 -2.02 0.00 0.00 58.31 55.71 2i6a n LYS 55 Cb 0.76 -1.27 -0.10 0.00 -0.02 0.00 0.00 35.03 34.40 2i6a n LYS 55 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2i6a s PHE 56 N -2.26 1.48 -1.24 2.13 0.40 -0.73 -5.05 117.98 112.71 2i6a s PHE 56 Ca 0.09 -0.84 -0.16 0.00 -0.60 0.00 0.00 56.93 55.43 2i6a s PHE 56 Cb 0.13 -0.82 0.13 0.00 0.51 0.00 0.00 43.02 42.96 2i6a s PHE 56 CO 0.55 0.04 1.56 0.15 0.70 0.00 0.00 175.22 178.21 2i6a s LYS 57 N -3.81 4.04 0.48 0.44 1.02 -1.26 -4.72 119.74 115.92 2i6a s LYS 57 Ca 0.24 -2.31 -0.14 0.00 0.02 0.00 0.00 55.97 53.78 2i6a s LYS 57 Cb 0.04 -5.27 -0.07 0.00 -0.52 0.00 0.00 37.83 32.01 2i6a s LYS 57 CO 0.06 -1.98 0.91 0.54 -0.92 0.00 0.00 175.35 173.96 2i6a s VAL 58 N 2.75 4.63 0.15 3.17 0.11 -1.26 -4.54 120.40 125.40 2i6a s VAL 58 Ca 0.47 0.99 0.04 0.00 -2.93 0.00 0.00 61.98 60.56 2i6a s VAL 58 Cb 0.00 -3.73 -0.04 0.00 -1.53 0.00 0.00 36.38 31.08 2i6a s VAL 58 CO 0.03 -0.63 -0.10 -1.61 -3.33 0.00 0.00 175.10 169.46 2i6a s GLU 59 N -4.00 1.06 -0.05 1.54 2.02 0.49 -4.95 118.70 114.80 2i6a s GLU 59 Ca 0.56 -1.45 0.06 0.00 0.02 0.00 0.00 54.97 54.16 2i6a s GLU 59 Cb -0.10 -0.60 -0.01 0.00 0.10 0.00 0.00 34.13 33.51 2i6a s GLU 59 CO 0.32 0.07 -0.25 0.71 0.02 0.00 0.00 175.26 176.13 2i6a s TYR 60 N -3.34 2.40 -0.17 1.61 2.02 -1.26 -1.89 117.35 116.72 2i6a s TYR 60 Ca 0.17 -0.70 -0.10 0.00 -0.37 0.00 0.00 57.07 56.07 2i6a s TYR 60 Cb 0.03 -1.57 0.06 0.00 -0.40 0.00 0.00 41.96 40.07 2i6a s TYR 60 CO 0.00 -0.21 0.40 -1.01 -1.57 0.00 0.00 175.55 173.17 2i6a s HIS 61 N -0.18 -0.58 0.25 2.71 3.76 -1.00 -5.00 115.29 115.26 2i6a s HIS 61 Ca -0.03 1.25 -0.31 0.00 -0.15 0.00 0.00 55.06 55.82 2i6a s HIS 61 Cb -0.13 0.25 -0.13 0.00 1.11 0.00 0.00 32.58 33.67 2i6a s HIS 61 CO 0.03 -0.33 1.37 0.00 -0.85 0.00 0.00 174.74 174.97 2i6a n ALA 62 N 4.13 1.04 -3.00 -1.40 0.00 -1.26 -0.24 120.51 119.78 2i6a n ALA 62 Ca -0.22 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2i6a n ALA 62 Cb 0.55 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.75 2i6a n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i6a n GLY 63 N 1.95 5.37 0.33 0.00 0.00 0.76 -4.73 105.19 108.87 2i6a n GLY 63 Ca 0.11 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2i6a n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i6a n GLY 64 N 1.12 -0.61 0.37 -0.02 0.00 -1.25 -3.64 105.19 101.15 2i6a n GLY 64 Ca 0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 2i6a n GLY 64 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2i6a h SER 65 N 0.00 -1.50 -0.68 1.61 0.87 -1.97 0.03 113.55 111.91 2i6a h SER 65 Ca 0.00 0.20 0.12 0.00 -1.23 0.00 0.00 61.79 60.88 2i6a h SER 65 Cb 0.00 0.61 -0.09 0.00 -0.44 0.00 0.00 62.40 62.49 2i6a h SER 65 CO 0.00 -0.33 0.24 0.74 -0.53 0.00 0.00 176.83 176.96 2i6a h THR 66 N -0.33 0.69 -0.86 2.23 2.02 -1.90 -1.55 112.91 113.22 2i6a h THR 66 Ca 0.06 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.14 2i6a h THR 66 Cb 0.48 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 2i6a h THR 66 CO -0.48 0.07 0.55 -0.61 0.37 0.00 0.00 175.52 175.43 2i6a h GLN 67 N 0.40 1.03 -0.30 6.66 4.15 -1.66 -1.03 115.11 124.36 2i6a h GLN 67 Ca 0.36 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.69 2i6a h GLN 67 Cb 0.51 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 2i6a h GLN 67 CO -0.37 0.68 0.06 -0.91 -1.93 0.00 0.00 178.83 176.36 2i6a h ASN 68 N 1.06 0.46 -0.33 -0.69 2.35 -0.04 -1.62 115.58 116.77 2i6a h ASN 68 Ca 0.35 -0.25 -0.07 0.00 -0.55 0.00 0.00 56.30 55.78 2i6a h ASN 68 Cb 0.04 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 2i6a h ASN 68 CO -0.13 0.59 -0.01 0.28 -1.65 0.00 0.00 177.43 176.51 2i6a h SER 69 N 0.32 0.67 0.23 5.81 0.02 -0.90 -1.72 113.55 117.97 2i6a h SER 69 Ca 0.09 -0.16 -0.13 0.00 -0.84 0.00 0.00 61.79 60.75 2i6a h SER 69 Cb 0.32 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2i6a h SER 69 CO 0.00 0.75 -0.50 0.40 -1.14 0.00 0.00 176.83 176.34 2i6a h ILE 70 N 0.66 1.34 -0.15 3.27 1.08 -1.14 -0.10 117.51 122.48 2i6a h ILE 70 Ca 0.13 -1.75 -0.03 0.00 -0.39 0.00 0.00 64.86 62.83 2i6a h ILE 70 Cb 0.43 1.81 -0.00 0.00 -3.07 0.00 0.00 36.82 35.98 2i6a h ILE 70 CO 0.02 0.52 -0.01 0.11 -0.69 0.00 0.00 178.15 178.10 2i6a h LYS 71 N 0.25 0.27 -0.52 2.37 1.57 -0.89 -2.00 116.57 117.62 2i6a h LYS 71 Ca 0.01 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 2i6a h LYS 71 Cb 0.98 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 2i6a h LYS 71 CO 0.08 0.52 0.17 0.28 -0.57 0.00 0.00 179.45 179.94 2i6a h VAL 72 N -0.01 1.21 0.31 0.50 2.07 -1.25 0.64 116.25 119.71 2i6a h VAL 72 Ca 0.04 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 2i6a h VAL 72 Cb 0.41 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2i6a h VAL 72 CO 0.01 0.26 -0.15 0.00 0.02 0.00 0.00 177.57 177.71 2i6a h ALA 73 N 1.43 -0.42 -0.19 1.67 0.00 -0.94 -0.31 119.26 120.50 2i6a h ALA 73 Ca 0.18 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2i6a h ALA 73 Cb 0.21 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2i6a h ALA 73 CO -0.01 -0.74 -0.01 0.37 0.00 0.00 0.00 179.25 178.87 2i6a h GLN 74 N -0.42 0.05 -0.76 0.00 5.75 -0.84 0.30 115.11 119.18 2i6a h GLN 74 Ca -0.04 -0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.54 2i6a h GLN 74 Cb 0.32 -0.01 -0.07 0.00 1.07 0.00 0.00 27.48 28.80 2i6a h GLN 74 CO 0.07 0.03 0.43 2.35 -2.65 0.00 0.00 178.83 179.06 2i6a h TRP 75 N 0.05 0.78 -0.08 3.99 7.01 -0.65 0.92 115.95 127.97 2i6a h TRP 75 Ca 0.09 0.03 -0.20 0.00 2.11 0.00 0.00 58.89 60.92 2i6a h TRP 75 Cb 0.12 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 26.94 2i6a h TRP 75 CO -0.18 0.34 -0.78 0.52 -2.79 0.00 0.00 178.44 175.55 2i6a h MET 76 N 0.74 0.51 0.29 2.65 2.86 -0.19 -3.15 114.93 118.65 2i6a h MET 76 Ca 0.36 -0.44 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2i6a h MET 76 Cb 0.30 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 2i6a h MET 76 CO -0.23 1.07 -0.26 0.82 1.06 0.00 0.00 176.91 179.37 2i6a h ILE 77 N 0.34 0.44 0.00 -1.22 2.04 0.84 -3.47 117.51 116.48 2i6a h ILE 77 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2i6a h ILE 77 Cb 1.38 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 2i6a h ILE 77 CO 0.14 0.00 0.00 1.67 0.00 0.00 0.00 178.15 179.96 2i6a n GLN 78 N -5.39 0.00 -3.15 2.37 -0.06 0.31 -4.72 117.38 106.74 2i6a n GLN 78 Ca -0.09 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.52 2i6a n GLN 78 Cb 0.29 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.41 2i6a n GLN 78 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2i6a s GLN 79 N 0.00 4.36 0.81 3.69 1.11 -1.26 -3.82 119.66 124.55 2i6a s GLN 79 Ca 0.00 0.91 -0.09 0.00 0.01 0.00 0.00 55.36 56.19 2i6a s GLN 79 Cb 0.00 -3.26 0.14 0.00 -1.01 0.00 0.00 33.01 28.88 2i6a s GLN 79 CO 0.00 0.59 1.14 -1.25 0.01 0.00 0.00 175.29 175.78 2i6a s PRO 80 N -1.05 1.43 0.57 2.91 0.04 -1.26 -4.72 135.00 132.91 2i6a s PRO 80 Ca 0.32 -0.55 -0.16 0.00 0.04 0.00 0.00 61.00 60.65 2i6a s PRO 80 Cb -0.21 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 2i6a s PRO 80 CO 0.22 -1.77 1.03 -1.01 0.04 0.00 0.00 177.00 175.51 2i6a s HIS 81 N -3.48 3.15 -1.34 0.56 3.76 -1.25 -3.94 115.29 112.75 2i6a s HIS 81 Ca 0.67 1.49 0.00 0.00 -0.15 0.00 0.00 55.06 57.08 2i6a s HIS 81 Cb -0.06 -2.93 0.00 0.00 1.11 0.00 0.00 32.58 30.69 2i6a s HIS 81 CO 0.48 -0.87 0.00 1.63 -0.85 0.00 0.00 174.74 175.13 2i6a n LYS 82 N -1.89 -1.07 0.25 1.40 5.02 0.62 -4.77 118.16 117.71 2i6a n LYS 82 Ca 0.08 0.82 0.14 0.00 -2.02 0.00 0.00 58.31 57.33 2i6a n LYS 82 Cb 0.53 -5.03 0.57 0.00 -0.02 0.00 0.00 35.03 31.08 2i6a n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i6a h ALA 83 N 0.39 1.02 -3.32 7.82 0.00 -1.77 0.27 119.26 123.66 2i6a h ALA 83 Ca -0.32 -0.09 -0.66 0.00 0.00 0.00 0.00 54.91 53.84 2i6a h ALA 83 Cb 1.11 -0.02 -0.29 0.00 0.00 0.00 0.00 17.79 18.60 2i6a h ALA 83 CO 0.41 0.12 -0.81 0.00 0.00 0.00 0.00 179.25 178.98 2i6a s ALA 84 N -3.66 2.46 0.14 0.00 0.00 -1.26 -1.35 121.76 118.08 2i6a s ALA 84 Ca 0.01 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.08 2i6a s ALA 84 Cb 0.09 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 2i6a s ALA 84 CO 0.59 0.26 0.22 0.99 0.00 0.00 0.00 175.76 177.82 2i6a s THR 85 N 0.35 5.04 -0.20 0.00 2.01 0.80 -1.32 115.64 122.32 2i6a s THR 85 Ca -0.14 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.03 2i6a s THR 85 Cb -0.17 -3.56 0.10 0.00 0.01 0.00 0.00 72.50 68.88 2i6a s THR 85 CO 0.07 -0.05 0.40 0.12 -0.69 0.00 0.00 174.62 174.47 2i6a s PHE 86 N -1.69 -0.79 0.06 4.92 5.36 -1.00 -2.09 117.98 122.74 2i6a s PHE 86 Ca 0.33 1.38 0.02 0.00 -0.96 0.00 0.00 56.93 57.70 2i6a s PHE 86 Cb -0.11 0.24 -0.04 0.00 -0.34 0.00 0.00 43.02 42.77 2i6a s PHE 86 CO 0.27 -0.52 0.08 -0.06 -1.46 0.00 0.00 175.22 173.53 2i6a s PHE 87 N 2.59 3.22 0.00 10.12 0.08 -0.80 -1.04 117.98 132.15 2i6a s PHE 87 Ca 0.01 0.11 0.00 0.00 0.12 0.00 0.00 56.93 57.17 2i6a s PHE 87 Cb -0.13 -1.66 0.00 0.00 -0.57 0.00 0.00 43.02 40.67 2i6a s PHE 87 CO -0.13 0.53 0.00 0.41 -0.10 0.00 0.00 175.22 175.93 2i6a n GLY 88 N 0.66 0.69 3.85 4.36 0.00 -1.23 -2.21 105.19 111.31 2i6a n GLY 88 Ca -0.10 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 2i6a n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i6a s ILE 90 N -0.83 0.28 0.27 0.00 -4.36 -0.42 -3.74 121.20 112.40 2i6a s ILE 90 Ca 0.15 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.60 2i6a s ILE 90 Cb -0.12 -2.48 -0.03 0.00 1.25 0.00 0.00 42.46 41.08 2i6a s ILE 90 CO 0.04 0.00 0.32 -0.83 0.24 0.00 0.00 174.94 174.71 2i6a s GLY 91 N -3.40 1.38 -1.01 6.27 0.00 -1.26 -3.06 107.32 106.23 2i6a s GLY 91 Ca 0.35 -1.36 -0.16 0.00 0.00 0.00 0.00 44.72 43.56 2i6a s GLY 91 CO 0.19 -1.36 1.16 -0.42 0.00 0.00 0.00 173.10 172.67 2i6a s ILE 92 N -2.08 5.06 0.36 0.90 1.01 0.35 -4.39 121.20 122.40 2i6a s ILE 92 Ca 0.36 -2.18 -0.15 0.00 0.00 0.00 0.00 60.65 58.68 2i6a s ILE 92 Cb -0.08 -4.76 0.06 0.00 0.01 0.00 0.00 42.46 37.69 2i6a s ILE 92 CO 0.28 -1.44 0.79 -0.90 0.00 0.00 0.00 174.94 173.66 2i6a n ASP 93 N 5.58 -2.16 -0.24 3.58 3.85 -1.26 -4.94 116.55 120.95 2i6a n ASP 93 Ca 0.26 -2.47 -0.03 0.00 -0.71 0.00 0.00 54.79 51.84 2i6a n ASP 93 Cb 0.46 3.60 0.03 0.00 -1.35 0.00 0.00 41.12 43.85 2i6a n ASP 93 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 2i6a h LYS 94 N 0.00 -0.11 -0.44 0.11 3.64 -2.00 -0.98 116.57 116.80 2i6a h LYS 94 Ca -0.32 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.01 2i6a h LYS 94 Cb 1.19 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 2i6a h LYS 94 CO 0.40 -0.07 0.04 0.74 -2.27 0.00 0.00 179.45 178.29 2i6a h PHE 95 N -0.11 0.72 0.38 1.91 0.04 -1.98 -1.58 116.94 116.33 2i6a h PHE 95 Ca 0.27 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.94 2i6a h PHE 95 Cb 0.56 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.51 2i6a h PHE 95 CO -0.66 0.66 -0.18 0.78 -0.60 0.00 0.00 178.31 178.30 2i6a h GLY 96 N 0.92 -0.54 0.49 -1.45 0.00 -1.63 0.23 103.07 101.09 2i6a h GLY 96 Ca 0.14 0.20 0.14 0.00 0.00 0.00 0.00 47.33 47.81 2i6a h GLY 96 CO 0.01 -0.19 0.59 -2.09 0.00 0.00 0.00 176.54 174.85 2i6a h GLU 97 N -0.53 0.73 -0.09 4.80 4.57 -0.86 0.10 114.58 123.30 2i6a h GLU 97 Ca -0.05 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 2i6a h GLU 97 Cb 0.41 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2i6a h GLU 97 CO 0.09 0.49 0.02 0.82 -1.18 0.00 0.00 179.01 179.24 2i6a h ILE 98 N 0.76 1.21 -0.90 2.32 2.04 -1.03 -0.63 117.51 121.28 2i6a h ILE 98 Ca 0.47 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.68 2i6a h ILE 98 Cb 0.69 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 2i6a h ILE 98 CO -0.23 0.18 0.59 -0.07 0.00 0.00 0.00 178.15 178.63 2i6a h LEU 99 N -0.08 1.04 -0.70 1.44 3.38 0.26 -1.30 115.31 119.34 2i6a h LEU 99 Ca 0.03 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2i6a h LEU 99 Cb 0.28 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2i6a h LEU 99 CO 0.00 0.76 -0.52 0.11 0.09 0.00 0.00 178.44 178.88 2i6a h LYS 100 N 1.22 0.34 -0.05 1.13 1.57 -0.89 -2.35 116.57 117.54 2i6a h LYS 100 Ca 0.33 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2i6a h LYS 100 Cb -0.13 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 2i6a h LYS 100 CO -0.07 0.78 0.02 -0.09 -0.57 0.00 0.00 179.45 179.52 2i6a h ARG 101 N 0.27 0.07 0.00 3.15 2.43 -0.53 -2.02 114.38 117.75 2i6a h ARG 101 Ca 0.01 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2i6a h ARG 101 Cb 1.01 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2i6a h ARG 101 CO 0.09 0.20 -0.06 0.87 -1.51 0.00 0.00 179.97 179.56 2i6a h LYS 102 N -0.08 0.00 0.08 0.20 1.79 -1.23 -1.05 116.57 116.28 2i6a h LYS 102 Ca 0.02 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.28 2i6a h LYS 102 Cb 0.16 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.83 2i6a h LYS 102 CO -0.00 0.06 -0.87 0.00 -1.08 0.00 0.00 179.45 177.56 2i6a h ALA 103 N 1.94 -0.00 -0.20 3.86 0.00 -1.19 -3.02 119.26 120.65 2i6a h ALA 103 Ca -0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 2i6a h ALA 103 Cb 0.14 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2i6a h ALA 103 CO 0.01 0.46 -0.21 0.00 0.00 0.00 0.00 179.25 179.50 2i6a h ALA 104 N 0.24 1.27 0.00 0.00 0.00 -0.56 -1.40 119.26 118.80 2i6a h ALA 104 Ca -0.13 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2i6a h ALA 104 Cb 1.60 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2i6a h ALA 104 CO 0.17 0.49 0.00 0.39 0.00 0.00 0.00 179.25 180.29 2i6a n GLU 105 N -4.17 0.02 0.00 0.00 1.02 -0.49 -1.76 120.64 115.26 2i6a n GLU 105 Ca -0.00 0.10 0.10 0.00 -0.02 0.00 0.00 57.16 57.34 2i6a n GLU 105 Cb 0.36 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.22 2i6a n GLU 105 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i6a n ALA 106 N -1.49 4.38 -1.48 0.62 0.00 -0.59 -4.95 120.51 117.00 2i6a n ALA 106 Ca 0.06 -0.59 -0.09 0.00 0.00 0.00 0.00 53.44 52.82 2i6a n ALA 106 Cb 0.27 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 2i6a n ALA 106 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2i6a n HIS 107 N -1.16 -0.10 -3.14 0.00 8.25 -0.72 -4.68 115.22 113.67 2i6a n HIS 107 Ca 0.05 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.13 2i6a n HIS 107 Cb 0.36 -1.95 -0.06 0.00 1.12 0.00 0.00 29.99 29.46 2i6a n HIS 107 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2i6a s VAL 108 N -2.38 4.57 -1.28 1.59 1.01 -0.85 -0.28 120.40 122.78 2i6a s VAL 108 Ca 0.00 1.40 -0.16 0.00 0.00 0.00 0.00 61.98 63.22 2i6a s VAL 108 Cb 0.00 -3.98 0.10 0.00 0.00 0.00 0.00 36.38 32.50 2i6a s VAL 108 CO 0.00 0.48 1.69 -0.67 0.00 0.00 0.00 175.10 176.60 2i6a n ASP 109 N 1.48 4.96 -4.76 3.32 2.03 -0.43 -4.50 116.55 118.65 2i6a n ASP 109 Ca -0.07 -2.94 -0.39 0.00 0.52 0.00 0.00 54.79 51.91 2i6a n ASP 109 Cb 0.50 -1.69 -0.06 0.00 -0.72 0.00 0.00 41.12 39.15 2i6a n ASP 109 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2i6a s ALA 110 N 3.36 3.45 -0.31 -1.67 0.00 -1.26 -2.38 121.76 122.95 2i6a s ALA 110 Ca 0.50 0.17 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 2i6a s ALA 110 Cb 0.03 -2.85 0.10 0.00 0.00 0.00 0.00 23.12 20.40 2i6a s ALA 110 CO 0.05 0.18 0.12 -1.01 0.00 0.00 0.00 175.76 175.10 2i6a s HIS 111 N -0.41 1.30 0.30 0.00 3.76 -0.21 -4.95 115.29 115.07 2i6a s HIS 111 Ca 0.34 -1.54 -0.01 0.00 -0.15 0.00 0.00 55.06 53.70 2i6a s HIS 111 Cb -0.20 -1.47 -0.04 0.00 1.11 0.00 0.00 32.58 31.99 2i6a s HIS 111 CO 0.21 -0.86 0.51 0.71 -0.85 0.00 0.00 174.74 174.46 2i6a s TYR 112 N 1.64 3.49 -0.18 1.40 1.51 -1.26 -3.51 117.35 120.44 2i6a s TYR 112 Ca 0.10 0.40 -0.16 0.00 -1.01 0.00 0.00 57.07 56.40 2i6a s TYR 112 Cb -0.18 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 2i6a s TYR 112 CO -0.25 0.21 0.41 -0.47 -1.11 0.00 0.00 175.55 174.33 2i6a s TYR 113 N -2.15 3.42 0.03 2.71 5.04 0.15 -4.93 117.35 121.62 2i6a s TYR 113 Ca 0.40 0.68 0.04 0.00 -2.44 0.00 0.00 57.07 55.75 2i6a s TYR 113 Cb -0.10 -2.51 -0.04 0.00 0.35 0.00 0.00 41.96 39.66 2i6a s TYR 113 CO 0.33 0.06 -0.06 -1.21 -1.34 0.00 0.00 175.55 173.33 2i6a s GLU 114 N 1.06 2.51 0.17 4.97 2.02 -1.26 -1.30 118.70 126.87 2i6a s GLU 114 Ca 0.20 -0.77 -0.17 0.00 0.02 0.00 0.00 54.97 54.25 2i6a s GLU 114 Cb -0.15 -2.49 0.03 0.00 0.10 0.00 0.00 34.13 31.62 2i6a s GLU 114 CO 0.08 0.58 0.48 1.14 0.02 0.00 0.00 175.26 177.56 2i6a s GLN 115 N -1.66 1.28 -0.08 1.61 1.03 -1.17 -4.98 119.66 115.70 2i6a s GLN 115 Ca 0.19 -0.83 0.17 0.00 0.04 0.00 0.00 55.36 54.93 2i6a s GLN 115 Cb -0.11 0.50 -0.25 0.00 0.03 0.00 0.00 33.01 33.17 2i6a s GLN 115 CO 0.10 -0.53 0.27 0.09 -2.54 0.00 0.00 175.29 172.69 2i6a n ASN 116 N -0.30 0.87 -0.15 12.60 3.02 -1.26 -0.50 115.26 129.54 2i6a n ASN 116 Ca -0.12 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.35 2i6a n ASN 116 Cb 0.63 1.50 0.00 0.00 -0.61 0.00 0.00 39.78 41.30 2i6a n ASN 116 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2i6a h GLU 117 N 0.00 0.65 -6.08 3.52 3.07 -1.98 -3.43 114.58 110.33 2i6a h GLU 117 Ca -0.16 -0.10 -0.68 0.00 -0.50 0.00 0.00 59.36 57.92 2i6a h GLU 117 Cb 1.26 -0.12 -0.24 0.00 -0.84 0.00 0.00 28.75 28.81 2i6a h GLU 117 CO 0.01 0.56 -0.76 -0.65 -1.40 0.00 0.00 179.01 176.76 2i6a s GLN 118 N -5.70 2.72 0.62 2.33 -1.52 -1.26 -5.08 119.66 111.77 2i6a s GLN 118 Ca -0.13 -0.69 -0.14 0.00 -1.95 0.00 0.00 55.36 52.46 2i6a s GLN 118 Cb 0.11 -2.45 -0.02 0.00 -0.22 0.00 0.00 33.01 30.43 2i6a s GLN 118 CO 0.75 0.53 1.05 -1.25 -0.25 0.00 0.00 175.29 176.12 2i6a s PRO 119 N -0.48 3.26 0.34 2.91 0.04 -1.26 -4.11 135.00 135.69 2i6a s PRO 119 Ca 0.06 1.07 -0.28 0.00 0.04 0.00 0.00 61.00 61.89 2i6a s PRO 119 Cb -0.12 -2.03 -0.12 0.00 0.04 0.00 0.00 34.50 32.27 2i6a s PRO 119 CO 0.02 -0.85 1.26 2.41 0.04 0.00 0.00 177.00 179.88 2i6a n THR 120 N -2.42 2.01 -1.90 1.26 -1.04 -1.26 -1.05 114.28 109.87 2i6a n THR 120 Ca 0.08 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.25 2i6a n THR 120 Cb 0.53 -1.52 0.03 0.00 -1.82 0.00 0.00 70.33 67.56 2i6a n THR 120 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2i6a s GLY 121 N -0.34 2.26 0.04 3.41 0.00 -1.12 -4.62 107.32 106.96 2i6a s GLY 121 Ca 0.56 0.60 -0.00 0.00 0.00 0.00 0.00 44.72 45.87 2i6a s GLY 121 CO 0.62 0.95 -0.03 -0.51 0.00 0.00 0.00 173.10 174.12 2i6a s THR 122 N -2.22 0.21 -0.10 0.90 -4.23 0.57 -1.99 115.64 108.78 2i6a s THR 122 Ca 0.68 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 2i6a s THR 122 Cb -0.21 -0.93 0.02 0.00 1.34 0.00 0.00 72.50 72.72 2i6a s THR 122 CO 0.38 -0.75 -0.08 0.00 -0.54 0.00 0.00 174.62 173.63 2i6a s ALA 124 N 1.52 3.27 -0.61 0.00 0.00 0.76 -0.30 121.76 126.39 2i6a s ALA 124 Ca 0.01 0.48 0.04 0.00 0.00 0.00 0.00 51.96 52.49 2i6a s ALA 124 Cb -0.13 -3.21 0.15 0.00 0.00 0.00 0.00 23.12 19.93 2i6a s ALA 124 CO -0.06 -0.04 0.38 0.00 0.00 0.00 0.00 175.76 176.05 2i6a s ALA 125 N 0.16 3.56 -0.70 0.00 0.00 -0.07 -1.82 121.76 122.89 2i6a s ALA 125 Ca 0.45 -3.51 -0.27 0.00 0.00 0.00 0.00 51.96 48.63 2i6a s ALA 125 Cb -0.22 -2.24 0.02 0.00 0.00 0.00 0.00 23.12 20.68 2i6a s ALA 125 CO 0.27 -2.06 1.41 0.00 0.00 0.00 0.00 175.76 175.39 2i6a s ILE 127 N 6.48 5.20 -0.10 0.00 1.01 -0.19 -1.76 121.20 131.84 2i6a s ILE 127 Ca 0.43 0.87 -0.01 0.00 0.00 0.00 0.00 60.65 61.94 2i6a s ILE 127 Cb -0.09 -3.78 0.03 0.00 0.01 0.00 0.00 42.46 38.62 2i6a s ILE 127 CO 0.17 0.31 -0.04 0.42 0.00 0.00 0.00 174.94 175.81 2i6a s THR 128 N 0.78 0.71 0.00 2.92 -4.23 -0.83 -0.69 115.64 114.29 2i6a s THR 128 Ca 0.24 -0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 2i6a s THR 128 Cb -0.15 -0.80 0.00 0.00 1.34 0.00 0.00 72.50 72.89 2i6a s THR 128 CO 0.09 0.30 0.00 0.61 -0.54 0.00 0.00 174.62 175.08 2i6a n GLY 129 N 5.04 1.16 0.06 3.99 0.00 -1.26 0.36 105.19 114.54 2i6a n GLY 129 Ca -0.10 0.50 0.02 0.00 0.00 0.00 0.00 46.02 46.44 2i6a n GLY 129 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i6a n ASP 130 N 9.81 2.13 -4.83 1.61 10.43 -1.26 -5.02 116.55 129.43 2i6a n ASP 130 Ca 0.00 -2.20 -0.31 0.00 2.57 0.00 0.00 54.79 54.85 2i6a n ASP 130 Cb 0.00 -0.09 -0.06 0.00 1.84 0.00 0.00 41.12 42.81 2i6a n ASP 130 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 2i6a s ASN 131 N -1.34 5.86 -0.09 -2.24 -0.87 0.16 -5.01 114.94 111.42 2i6a s ASN 131 Ca 0.07 0.11 -0.01 0.00 -1.57 0.00 0.00 52.86 51.46 2i6a s ASN 131 Cb 0.06 -1.68 0.03 0.00 -0.02 0.00 0.00 41.25 39.64 2i6a s ASN 131 CO 0.01 0.18 -0.01 -0.13 -2.57 0.00 0.00 177.10 174.58 2i6a s ARG 132 N -2.40 0.80 -0.33 -0.60 0.52 -0.74 -1.96 118.95 114.24 2i6a s ARG 132 Ca 0.31 -0.00 -0.05 0.00 -0.52 0.00 0.00 55.73 55.47 2i6a s ARG 132 Cb -0.12 -1.17 0.05 0.00 0.52 0.00 0.00 34.95 34.22 2i6a s ARG 132 CO 0.24 -0.32 0.08 0.45 0.02 0.00 0.00 175.30 175.77 2i6a s SER 133 N 1.91 5.19 -0.18 0.23 0.15 -0.72 -2.39 113.70 117.90 2i6a s SER 133 Ca 0.05 -1.22 -0.06 0.00 0.70 0.00 0.00 55.95 55.41 2i6a s SER 133 Cb -0.13 -1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 62.33 2i6a s SER 133 CO -0.06 -0.32 0.03 -0.76 1.20 0.00 0.00 173.24 173.33 2i6a s LEU 134 N 1.35 3.63 -0.15 3.45 1.43 -0.51 -0.30 118.68 127.58 2i6a s LEU 134 Ca -0.02 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 2i6a s LEU 134 Cb -0.20 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.13 2i6a s LEU 134 CO 0.01 0.16 -0.17 -0.63 0.23 0.00 0.00 176.35 175.96 2i6a s ILE 135 N 0.43 1.73 -0.14 -0.59 1.09 -0.76 -0.64 121.20 122.32 2i6a s ILE 135 Ca 0.01 -0.75 -0.13 0.00 -1.10 0.00 0.00 60.65 58.68 2i6a s ILE 135 Cb -0.13 -1.59 -0.05 0.00 -1.06 0.00 0.00 42.46 39.64 2i6a s ILE 135 CO 0.01 0.49 0.29 0.00 -0.10 0.00 0.00 174.94 175.63 2i6a s ALA 136 N 1.28 3.62 -0.64 9.38 0.00 -0.14 -0.17 121.76 135.09 2i6a s ALA 136 Ca 0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 51.96 51.50 2i6a s ALA 136 Cb -0.14 -2.36 0.16 0.00 0.00 0.00 0.00 23.12 20.79 2i6a s ALA 136 CO -0.09 0.17 0.46 1.21 0.00 0.00 0.00 175.76 177.51 2i6a s ASN 137 N 0.19 5.32 0.13 0.00 2.47 0.42 -0.67 114.94 122.80 2i6a s ASN 137 Ca 0.17 -2.85 -0.20 0.00 0.42 0.00 0.00 52.86 50.40 2i6a s ASN 137 Cb -0.13 -1.87 -0.02 0.00 -1.45 0.00 0.00 41.25 37.78 2i6a s ASN 137 CO 0.05 -0.38 1.71 -0.07 -3.72 0.00 0.00 177.10 174.69 2i6a h LEU 138 N 7.06 -0.13 0.00 3.21 3.38 -1.94 0.16 115.31 127.05 2i6a h LEU 138 Ca -0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2i6a h LEU 138 Cb 0.96 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2i6a h LEU 138 CO 0.72 -0.04 0.00 0.00 0.09 0.00 0.00 178.44 179.21 2i6a n ALA 139 N -2.38 0.00 0.13 1.53 0.00 -1.26 -1.43 120.51 117.10 2i6a n ALA 139 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 2i6a n ALA 139 Cb 0.12 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.80 2i6a n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i6a h ALA 140 N -0.99 1.10 -0.41 0.00 0.00 -1.34 -3.08 119.26 114.55 2i6a h ALA 140 Ca 0.00 -0.45 0.12 0.00 0.00 0.00 0.00 54.91 54.57 2i6a h ALA 140 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2i6a h ALA 140 CO 0.00 0.63 0.29 0.00 0.00 0.00 0.00 179.25 180.17 2i6a h ALA 141 N 1.41 2.39 0.00 0.00 0.00 -1.33 -0.00 119.26 121.73 2i6a h ALA 141 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2i6a h ALA 141 Cb 0.89 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2i6a h ALA 141 CO 0.07 -0.50 0.00 -1.71 0.00 0.00 0.00 179.25 177.11 2i6a n ASN 142 N -4.42 0.00 -2.04 0.00 4.05 -1.16 -3.83 115.26 107.86 2i6a n ASN 142 Ca 0.07 -0.39 -0.20 0.00 0.45 0.00 0.00 54.58 54.50 2i6a n ASN 142 Cb 0.49 -0.19 0.15 0.00 1.23 0.00 0.00 39.78 41.46 2i6a n ASN 142 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2i6a s TYR 144 N -2.79 3.45 -0.09 0.00 5.04 -1.25 -4.94 117.35 116.78 2i6a s TYR 144 Ca 0.48 0.99 0.02 0.00 -2.44 0.00 0.00 57.07 56.12 2i6a s TYR 144 Cb 0.41 -2.74 0.01 0.00 0.35 0.00 0.00 41.96 39.99 2i6a s TYR 144 CO 0.09 -0.03 -0.14 0.15 -1.34 0.00 0.00 175.55 174.29 2i6a s LYS 145 N 1.34 1.95 0.34 4.97 -0.14 -1.26 -4.69 119.74 122.25 2i6a s LYS 145 Ca 0.30 -0.48 0.02 0.00 -1.36 0.00 0.00 55.97 54.45 2i6a s LYS 145 Cb -0.16 -1.65 0.60 0.00 -1.68 0.00 0.00 37.83 34.94 2i6a s LYS 145 CO 0.12 -0.02 1.95 1.57 -0.76 0.00 0.00 175.35 178.21 2i6a h LYS 146 N 7.21 0.75 0.00 1.68 2.10 -1.96 -2.76 116.57 123.58 2i6a h LYS 146 Ca -0.30 -0.09 -0.04 0.00 -2.00 0.00 0.00 60.65 58.22 2i6a h LYS 146 Cb 1.18 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 32.36 2i6a h LYS 146 CO 0.47 0.58 -0.20 1.05 -2.00 0.00 0.00 179.45 179.35 2i6a h GLU 147 N 0.75 0.00 -0.46 0.07 9.09 -1.96 0.20 114.58 122.26 2i6a h GLU 147 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.60 2i6a h GLU 147 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.17 2i6a h GLU 147 CO -0.03 0.20 0.00 0.36 0.05 0.00 0.00 179.01 179.60 2i6a n LYS 148 N -4.21 2.44 0.00 1.06 2.85 -1.06 -4.68 118.16 114.56 2i6a n LYS 148 Ca -0.02 -2.19 0.00 0.00 -1.05 0.00 0.00 58.31 55.04 2i6a n LYS 148 Cb 0.27 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.15 2i6a n LYS 148 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 2i6a n HIS 149 N 1.35 -1.17 -0.30 5.58 -0.00 -1.00 -4.89 115.22 114.79 2i6a n HIS 149 Ca 0.20 0.01 0.08 0.00 -0.00 0.00 0.00 57.72 58.01 2i6a n HIS 149 Cb 0.56 0.52 0.24 0.00 -0.00 0.00 0.00 29.99 31.31 2i6a n HIS 149 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2i6a h LEU 150 N 0.00 0.52 -0.44 0.27 5.85 -1.64 -1.28 115.31 118.59 2i6a h LEU 150 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2i6a h LEU 150 Cb 0.00 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2i6a h LEU 150 CO 0.00 0.20 0.00 0.47 -0.34 0.00 0.00 178.44 178.77 2i6a n ASP 151 N -4.89 0.49 -4.70 1.25 8.00 0.65 -2.85 116.55 114.50 2i6a n ASP 151 Ca 0.18 0.61 -0.42 0.00 0.71 0.00 0.00 54.79 55.87 2i6a n ASP 151 Cb 0.47 -0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 2i6a n ASP 151 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2i6a s LEU 152 N -4.07 4.35 0.33 0.64 1.43 -0.48 -4.80 118.68 116.09 2i6a s LEU 152 Ca 0.06 2.30 0.12 0.00 -1.03 0.00 0.00 54.13 55.58 2i6a s LEU 152 Cb 0.10 -3.58 1.01 0.00 0.03 0.00 0.00 46.19 43.75 2i6a s LEU 152 CO 0.38 -0.71 1.66 -0.08 0.23 0.00 0.00 176.35 177.83 2i6a h GLU 153 N 7.27 0.28 -0.73 1.70 4.81 -1.88 0.12 114.58 126.15 2i6a h GLU 153 Ca -0.41 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 2i6a h GLU 153 Cb 1.20 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 2i6a h GLU 153 CO 0.89 0.18 0.34 1.57 -0.73 0.00 0.00 179.01 181.26 2i6a h LYS 154 N 0.29 1.06 0.02 1.92 2.10 -1.93 -1.10 116.57 118.92 2i6a h LYS 154 Ca 0.70 -0.17 -0.00 0.00 -2.00 0.00 0.00 60.65 59.18 2i6a h LYS 154 Cb 1.55 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 2i6a h LYS 154 CO -0.63 0.84 -0.01 -0.91 -2.00 0.00 0.00 179.45 176.75 2i6a h ASN 155 N 1.03 -0.02 -0.03 7.07 -0.26 -1.38 -3.28 115.58 118.71 2i6a h ASN 155 Ca 0.25 -0.76 0.01 0.00 -0.56 0.00 0.00 56.30 55.24 2i6a h ASN 155 Cb 0.14 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.40 2i6a h ASN 155 CO -0.03 0.79 0.03 -0.25 -1.06 0.00 0.00 177.43 176.92 2i6a h TRP 156 N -0.86 0.00 0.44 1.19 2.91 -0.69 -1.35 115.95 117.59 2i6a h TRP 156 Ca -0.00 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 2i6a h TRP 156 Cb 0.78 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.41 2i6a h TRP 156 CO 0.20 0.00 -0.38 1.98 -1.03 0.00 0.00 178.44 179.21 2i6a h MET 157 N 0.00 -0.79 -0.73 2.65 4.05 -1.28 -2.69 114.93 116.14 2i6a h MET 157 Ca 0.02 0.05 0.16 0.00 -0.28 0.00 0.00 59.70 59.65 2i6a h MET 157 Cb 0.09 0.18 -0.13 0.00 -0.80 0.00 0.00 31.60 30.93 2i6a h MET 157 CO -0.00 -0.53 -0.06 -0.07 0.23 0.00 0.00 176.91 176.48 2i6a h LEU 158 N -0.82 -0.46 -0.92 3.39 3.38 -1.31 -0.44 115.31 118.14 2i6a h LEU 158 Ca -0.04 0.20 0.15 0.00 0.09 0.00 0.00 57.88 58.28 2i6a h LEU 158 Cb 0.71 0.38 -0.10 0.00 0.09 0.00 0.00 40.66 41.75 2i6a h LEU 158 CO -0.03 -0.20 0.52 0.58 0.09 0.00 0.00 178.44 179.40 2i6a h VAL 159 N 0.06 0.76 0.00 1.22 2.07 -1.36 -1.28 116.25 117.73 2i6a h VAL 159 Ca 0.38 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.65 2i6a h VAL 159 Cb 0.64 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2i6a h VAL 159 CO -0.68 0.13 0.00 -0.33 0.02 0.00 0.00 177.57 176.71 2i6a h GLU 160 N 0.74 0.00 0.00 1.57 5.08 -0.74 -2.97 114.58 118.26 2i6a h GLU 160 Ca 0.50 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.83 2i6a h GLU 160 Cb 0.68 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 2i6a h GLU 160 CO -0.35 0.00 -0.15 0.87 -1.00 0.00 0.00 179.01 178.38 2i6a h LYS 161 N 0.00 0.00 -6.65 2.33 1.57 -1.11 -3.46 116.57 109.25 2i6a h LYS 161 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 2i6a h LYS 161 Cb 0.35 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.67 2i6a h LYS 161 CO 0.00 0.15 0.54 0.00 -0.57 0.00 0.00 179.45 179.57 2i6a s ALA 162 N -3.18 3.42 -0.12 3.86 0.00 -1.12 -4.45 121.76 120.16 2i6a s ALA 162 Ca 0.06 0.91 0.17 0.00 0.00 0.00 0.00 51.96 53.09 2i6a s ALA 162 Cb 0.06 -3.40 -0.20 0.00 0.00 0.00 0.00 23.12 19.58 2i6a s ALA 162 CO 0.68 -0.33 0.58 0.54 0.00 0.00 0.00 175.76 177.23 2i6a n ARG 163 N 2.58 0.64 -4.10 0.00 5.12 -0.36 -4.87 116.66 115.68 2i6a n ARG 163 Ca 0.04 0.12 -0.18 0.00 -1.93 0.00 0.00 57.85 55.91 2i6a n ARG 163 Cb 0.45 -1.70 -0.16 0.00 -1.16 0.00 0.00 32.46 29.89 2i6a n ARG 163 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2i6a s VAL 164 N -2.86 0.38 0.08 1.55 1.01 -1.15 -1.68 120.40 117.73 2i6a s VAL 164 Ca -0.05 -0.10 0.10 0.00 0.00 0.00 0.00 61.98 61.93 2i6a s VAL 164 Cb 0.09 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 2i6a s VAL 164 CO 0.83 0.16 -0.26 0.00 0.00 0.00 0.00 175.10 175.83 2i6a s TYR 166 N -0.90 -0.35 -0.07 0.00 5.04 0.41 -1.12 117.35 120.36 2i6a s TYR 166 Ca 0.12 0.84 0.02 0.00 -2.44 0.00 0.00 57.07 55.62 2i6a s TYR 166 Cb -0.10 -0.06 0.02 0.00 0.35 0.00 0.00 41.96 42.17 2i6a s TYR 166 CO 0.03 -0.30 -0.11 0.42 -1.34 0.00 0.00 175.55 174.26 2i6a s ILE 167 N 2.05 1.04 0.30 3.14 1.01 -0.89 -3.63 121.20 124.22 2i6a s ILE 167 Ca -0.02 -0.41 -0.28 0.00 0.00 0.00 0.00 60.65 59.94 2i6a s ILE 167 Cb -0.12 -0.97 -0.09 0.00 0.01 0.00 0.00 42.46 41.29 2i6a s ILE 167 CO -0.08 0.34 1.03 0.00 0.00 0.00 0.00 174.94 176.22 2i6a s ALA 168 N 0.78 3.30 0.53 9.38 0.00 -1.26 -2.74 121.76 131.76 2i6a s ALA 168 Ca -0.13 0.74 0.30 0.00 0.00 0.00 0.00 51.96 52.87 2i6a s ALA 168 Cb -0.15 -3.27 1.44 0.00 0.00 0.00 0.00 23.12 21.14 2i6a s ALA 168 CO 0.02 -0.02 1.91 0.78 0.00 0.00 0.00 175.76 178.45 2i6a h GLY 169 N 3.58 0.06 -0.56 0.00 0.00 -1.45 -1.54 103.07 103.15 2i6a h GLY 169 Ca -0.47 -0.01 0.20 0.00 0.00 0.00 0.00 47.33 47.06 2i6a h GLY 169 CO 0.66 -0.00 0.01 0.74 0.00 0.00 0.00 176.54 177.95 2i6a h PHE 170 N 0.03 -0.06 0.00 5.60 0.05 -1.86 0.30 116.94 120.99 2i6a h PHE 170 Ca 0.40 0.06 0.00 0.00 3.82 0.00 0.00 57.97 62.25 2i6a h PHE 170 Cb 1.54 0.16 0.00 0.00 2.00 0.00 0.00 35.95 39.65 2i6a h PHE 170 CO -0.00 -0.30 0.00 0.34 -0.18 0.00 0.00 178.31 178.17 2i6a n PHE 171 N -5.39 0.00 0.20 -0.55 7.35 -0.58 -2.21 117.46 116.27 2i6a n PHE 171 Ca 0.17 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.93 2i6a n PHE 171 Cb 0.56 -0.32 0.37 0.00 0.35 0.00 0.00 39.48 40.44 2i6a n PHE 171 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2i6a h LEU 172 N 0.00 0.00 -0.14 -2.13 3.38 -0.58 -1.69 115.31 114.15 2i6a h LEU 172 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2i6a h LEU 172 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2i6a h LEU 172 CO 0.00 0.32 0.00 0.35 0.09 0.00 0.00 178.44 179.20 2i6a n THR 173 N -3.48 0.54 -0.09 0.22 -2.24 -0.94 -4.03 114.28 104.26 2i6a n THR 173 Ca -0.00 -0.07 -0.11 0.00 -2.27 0.00 0.00 64.05 61.60 2i6a n THR 173 Cb 0.48 -0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 67.96 2i6a n THR 173 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2i6a n VAL 174 N -2.02 1.50 -3.24 2.28 0.31 -0.70 -4.92 118.33 111.54 2i6a n VAL 174 Ca 0.05 0.10 -0.21 0.00 -0.01 0.00 0.00 64.34 64.27 2i6a n VAL 174 Cb 0.35 -2.31 -0.07 0.00 -0.91 0.00 0.00 33.84 30.90 2i6a n VAL 174 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2i6a s SER 175 N -6.05 0.75 0.58 4.52 0.15 -0.81 -4.89 113.70 107.95 2i6a s SER 175 Ca -0.29 -2.56 0.29 0.00 0.70 0.00 0.00 55.95 54.09 2i6a s SER 175 Cb 0.05 0.23 1.75 0.00 -1.71 0.00 0.00 66.02 66.34 2i6a s SER 175 CO 0.43 -0.16 2.22 -0.65 1.20 0.00 0.00 173.24 176.28 2i6a h PRO 176 N 5.69 0.00 -0.27 5.44 0.11 -1.76 -2.37 132.00 138.84 2i6a h PRO 176 Ca 0.19 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.13 2i6a h PRO 176 Cb 0.98 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 2i6a h PRO 176 CO 0.26 0.02 -0.50 0.93 -0.21 0.00 0.00 178.00 178.51 2i6a h GLU 177 N 0.00 0.76 0.01 1.05 3.07 -1.93 0.12 114.58 117.65 2i6a h GLU 177 Ca -0.00 -0.45 -0.00 0.00 -0.50 0.00 0.00 59.36 58.41 2i6a h GLU 177 Cb 0.07 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 2i6a h GLU 177 CO 0.00 1.07 -0.01 0.77 -1.40 0.00 0.00 179.01 179.45 2i6a h SER 178 N 0.59 -0.01 -0.27 1.42 0.02 -1.85 0.86 113.55 114.31 2i6a h SER 178 Ca 0.03 -0.26 0.06 0.00 -0.84 0.00 0.00 61.79 60.77 2i6a h SER 178 Cb 1.07 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.56 2i6a h SER 178 CO 0.11 0.25 -0.10 0.58 -1.14 0.00 0.00 176.83 176.53 2i6a h VAL 179 N -0.28 0.66 -0.64 2.27 2.07 -1.42 -1.01 116.25 117.90 2i6a h VAL 179 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2i6a h VAL 179 Cb 0.27 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 2i6a h VAL 179 CO 0.00 0.00 0.38 -0.07 0.02 0.00 0.00 177.57 177.90 2i6a h LEU 180 N -0.05 0.59 -0.80 2.57 3.38 -0.63 0.23 115.31 120.61 2i6a h LEU 180 Ca 0.14 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2i6a h LEU 180 Cb 0.25 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2i6a h LEU 180 CO -0.30 0.40 0.53 0.50 0.09 0.00 0.00 178.44 179.66 2i6a h LYS 181 N 0.73 1.05 0.03 1.13 3.64 -0.25 -0.92 116.57 121.97 2i6a h LYS 181 Ca 0.27 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2i6a h LYS 181 Cb 0.09 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 2i6a h LYS 181 CO -0.14 0.69 -0.02 0.28 -2.27 0.00 0.00 179.45 178.00 2i6a h VAL 182 N 1.08 1.30 -0.48 2.00 2.07 -0.80 -2.42 116.25 119.01 2i6a h VAL 182 Ca 0.29 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 2i6a h VAL 182 Cb -0.13 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2i6a h VAL 182 CO -0.06 0.28 0.14 0.00 0.02 0.00 0.00 177.57 177.95 2i6a h ALA 183 N 0.41 1.35 -0.17 1.67 0.00 -0.51 -1.45 119.26 120.55 2i6a h ALA 183 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2i6a h ALA 183 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2i6a h ALA 183 CO 0.01 0.47 0.08 1.25 0.00 0.00 0.00 179.25 181.06 2i6a h HIS 184 N 0.69 0.26 -0.47 0.00 6.17 -1.21 -2.13 115.15 118.46 2i6a h HIS 184 Ca 0.16 -0.01 0.09 0.00 0.71 0.00 0.00 60.37 61.31 2i6a h HIS 184 Cb 0.22 -0.08 -0.08 0.00 2.52 0.00 0.00 27.41 29.99 2i6a h HIS 184 CO 0.01 0.29 0.00 1.25 0.71 0.00 0.00 177.93 180.19 2i6a h HIS 185 N 0.15 -0.03 -0.88 5.26 6.17 -0.89 -0.10 115.15 124.82 2i6a h HIS 185 Ca 0.06 0.03 0.06 0.00 0.71 0.00 0.00 60.37 61.24 2i6a h HIS 185 Cb 0.13 0.08 -0.06 0.00 2.52 0.00 0.00 27.41 30.09 2i6a h HIS 185 CO -0.02 -0.10 0.55 0.00 0.71 0.00 0.00 177.93 179.07 2i6a h ALA 186 N 1.41 1.22 0.28 5.26 0.00 -1.15 -1.82 119.26 124.46 2i6a h ALA 186 Ca 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2i6a h ALA 186 Cb 0.34 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2i6a h ALA 186 CO -0.39 0.31 -0.14 1.03 0.00 0.00 0.00 179.25 180.06 2i6a h SER 187 N 1.01 -0.34 -1.24 0.00 0.87 -0.38 0.84 113.55 114.31 2i6a h SER 187 Ca 0.38 0.01 0.38 0.00 -1.23 0.00 0.00 61.79 61.33 2i6a h SER 187 Cb 0.16 0.09 -0.11 0.00 -0.44 0.00 0.00 62.40 62.11 2i6a h SER 187 CO -0.17 -0.23 0.81 -0.33 -0.53 0.00 0.00 176.83 176.38 2i6a h GLU 188 N -0.38 0.17 -0.49 2.24 5.08 -1.25 0.17 114.58 120.12 2i6a h GLU 188 Ca -0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2i6a h GLU 188 Cb 0.30 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2i6a h GLU 188 CO 0.06 0.12 0.00 0.09 -1.00 0.00 0.00 179.01 178.27 2i6a n ASN 189 N -4.60 3.30 -3.78 1.42 3.02 -0.69 -4.98 115.26 108.95 2i6a n ASN 189 Ca 0.32 -2.00 -0.26 0.00 -0.03 0.00 0.00 54.58 52.61 2i6a n ASN 189 Cb 1.25 -0.32 0.04 0.00 -0.61 0.00 0.00 39.78 40.14 2i6a n ASN 189 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2i6a n ASN 190 N 0.92 -3.85 -4.98 6.41 5.15 0.23 -4.99 115.26 114.15 2i6a n ASN 190 Ca 0.16 -0.75 -0.21 0.00 -0.60 0.00 0.00 54.58 53.19 2i6a n ASN 190 Cb 0.50 -4.16 0.02 0.00 -0.53 0.00 0.00 39.78 35.60 2i6a n ASN 190 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2i6a s ARG 191 N -6.33 2.87 -0.31 1.20 3.00 0.23 -5.01 118.95 114.60 2i6a s ARG 191 Ca 0.43 -0.81 -0.19 0.00 0.00 0.00 0.00 55.73 55.15 2i6a s ARG 191 Cb -0.21 -2.62 -0.01 0.00 0.00 0.00 0.00 34.95 32.11 2i6a s ARG 191 CO 0.81 -0.35 0.58 0.42 0.00 0.00 0.00 175.30 176.76 2i6a s ILE 192 N -2.51 4.98 -0.22 1.52 1.01 -0.68 -4.48 121.20 120.82 2i6a s ILE 192 Ca 0.52 0.73 -0.10 0.00 0.00 0.00 0.00 60.65 61.79 2i6a s ILE 192 Cb -0.10 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 2i6a s ILE 192 CO 0.36 -0.12 0.15 0.12 0.00 0.00 0.00 174.94 175.45 2i6a s PHE 193 N 2.50 3.36 0.05 3.97 5.36 -1.26 -0.02 117.98 131.94 2i6a s PHE 193 Ca 0.23 0.28 0.05 0.00 -0.96 0.00 0.00 56.93 56.53 2i6a s PHE 193 Cb -0.15 -2.21 -0.02 0.00 -0.34 0.00 0.00 43.02 40.29 2i6a s PHE 193 CO 0.12 0.18 -0.15 0.95 -1.46 0.00 0.00 175.22 174.86 2i6a s THR 194 N 0.71 1.16 0.04 0.12 -4.23 -0.28 -0.89 115.64 112.27 2i6a s THR 194 Ca 0.08 -1.10 -0.05 0.00 -1.18 0.00 0.00 61.69 59.43 2i6a s THR 194 Cb -0.12 -1.06 -0.01 0.00 1.34 0.00 0.00 72.50 72.64 2i6a s THR 194 CO 0.01 -0.05 0.08 -0.22 -0.54 0.00 0.00 174.62 173.91 2i6a s LEU 195 N -1.32 1.88 0.13 4.79 2.96 -0.80 -2.09 118.68 124.23 2i6a s LEU 195 Ca 0.01 -0.59 0.10 0.00 -0.22 0.00 0.00 54.13 53.43 2i6a s LEU 195 Cb -0.08 0.56 -0.04 0.00 0.50 0.00 0.00 46.19 47.12 2i6a s LEU 195 CO 0.02 -0.52 -0.22 0.21 -1.32 0.00 0.00 176.35 174.51 2i6a s ASN 196 N -2.23 3.63 0.43 3.68 3.84 -1.11 -0.90 114.94 122.28 2i6a s ASN 196 Ca -0.04 -0.67 0.24 0.00 0.21 0.00 0.00 52.86 52.60 2i6a s ASN 196 Cb -0.00 -0.39 0.57 0.00 -0.55 0.00 0.00 41.25 40.88 2i6a s ASN 196 CO -0.05 0.17 1.68 -0.07 -2.79 0.00 0.00 177.10 176.04 2i6a h LEU 197 N 3.72 0.00 0.00 3.21 3.38 -1.61 -0.92 115.31 123.09 2i6a h LEU 197 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2i6a h LEU 197 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2i6a h LEU 197 CO 0.43 0.14 0.00 -1.20 0.09 0.00 0.00 178.44 177.90 2i6a n SER 198 N -3.17 0.00 -3.50 -0.43 7.64 -1.26 -4.63 113.62 108.27 2i6a n SER 198 Ca 0.02 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.79 2i6a n SER 198 Cb 0.51 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 2i6a n SER 198 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i6a s ALA 199 N 0.00 -1.78 0.25 -0.43 0.00 -1.26 -4.99 121.76 113.54 2i6a s ALA 199 Ca 0.00 1.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.94 2i6a s ALA 199 Cb 0.00 0.28 0.27 0.00 0.00 0.00 0.00 23.12 23.67 2i6a s ALA 199 CO 0.00 -0.60 1.92 -1.35 0.00 0.00 0.00 175.76 175.73 2i6a h PRO 200 N 2.24 1.27 -0.17 0.00 0.11 -1.88 -2.93 132.00 130.64 2i6a h PRO 200 Ca -0.25 -0.08 0.05 0.00 0.11 0.00 0.00 66.00 65.83 2i6a h PRO 200 Cb 1.23 -0.29 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 2i6a h PRO 200 CO 0.34 0.84 0.48 0.27 -0.21 0.00 0.00 178.00 179.72 2i6a h PHE 201 N 1.31 0.00 0.00 0.65 -5.15 -1.92 0.76 116.94 112.60 2i6a h PHE 201 Ca 0.37 0.00 -0.14 0.00 -0.20 0.00 0.00 57.97 58.00 2i6a h PHE 201 Cb -0.11 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.04 2i6a h PHE 201 CO -0.00 0.00 -0.68 0.82 -2.00 0.00 0.00 178.31 176.45 2i6a h ILE 202 N 0.00 1.19 0.04 0.88 1.08 -1.78 -1.56 117.51 117.36 2i6a h ILE 202 Ca 0.08 -2.63 -0.27 0.00 -0.39 0.00 0.00 64.86 61.66 2i6a h ILE 202 Cb 1.04 2.55 -0.03 0.00 -3.07 0.00 0.00 36.82 37.31 2i6a h ILE 202 CO -0.00 0.67 -1.40 0.28 -0.69 0.00 0.00 178.15 177.01 2i6a h SER 203 N 0.00 0.13 0.17 1.72 0.02 0.37 -2.60 113.55 113.36 2i6a h SER 203 Ca -0.01 -0.19 -0.29 0.00 -0.84 0.00 0.00 61.79 60.47 2i6a h SER 203 Cb 1.49 -0.04 0.03 0.00 0.14 0.00 0.00 62.40 64.02 2i6a h SER 203 CO 0.09 1.16 -1.23 1.56 -1.14 0.00 0.00 176.83 177.27 2i6a h GLN 204 N 0.02 0.53 0.00 3.45 4.20 -1.38 -3.37 115.11 118.56 2i6a h GLN 204 Ca -0.17 -0.80 0.00 0.00 0.06 0.00 0.00 58.65 57.74 2i6a h GLN 204 Cb 1.93 0.28 0.00 0.00 0.30 0.00 0.00 27.48 29.99 2i6a h GLN 204 CO 0.13 1.37 -0.75 1.19 -0.67 0.00 0.00 178.83 180.10 2i6a n PHE 205 N -3.85 0.00 -1.99 2.96 3.72 -0.59 -4.69 117.46 113.02 2i6a n PHE 205 Ca -0.15 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.24 2i6a n PHE 205 Cb 0.99 -0.07 0.12 0.00 -0.94 0.00 0.00 39.48 39.58 2i6a n PHE 205 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2i6a n TYR 206 N -1.41 0.63 -0.03 1.38 4.02 -0.99 -4.79 117.16 115.98 2i6a n TYR 206 Ca 0.00 -1.47 0.04 0.00 -0.01 0.00 0.00 57.90 56.47 2i6a n TYR 206 Cb 0.14 -0.24 0.42 0.00 -0.02 0.00 0.00 39.34 39.64 2i6a n TYR 206 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 2i6a h LYS 207 N 1.36 0.57 0.33 -0.72 2.10 -1.71 -1.19 116.57 117.31 2i6a h LYS 207 Ca 0.01 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 2i6a h LYS 207 Cb 1.33 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 2i6a h LYS 207 CO 0.18 0.38 -0.21 1.49 -2.00 0.00 0.00 179.45 179.29 2i6a h GLU 208 N 0.58 -0.50 -0.50 0.07 4.81 -1.90 0.46 114.58 117.60 2i6a h GLU 208 Ca 0.17 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 2i6a h GLU 208 Cb -0.01 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2i6a h GLU 208 CO -0.04 -0.33 0.16 0.77 -0.73 0.00 0.00 179.01 178.84 2i6a h SER 209 N -0.51 0.68 0.29 1.04 0.02 -1.90 -1.70 113.55 111.46 2i6a h SER 209 Ca -0.03 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 2i6a h SER 209 Cb 0.43 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2i6a h SER 209 CO 0.03 0.64 -0.14 0.25 -1.14 0.00 0.00 176.83 176.48 2i6a h LEU 210 N 0.72 -0.33 -0.02 5.07 5.85 -0.68 -2.54 115.31 123.39 2i6a h LEU 210 Ca 0.17 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2i6a h LEU 210 Cb 0.21 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2i6a h LEU 210 CO -0.01 -0.04 0.00 0.23 -0.34 0.00 0.00 178.44 178.28 2i6a n MET 211 N -5.16 0.01 0.07 1.25 2.81 0.16 -0.19 117.12 116.07 2i6a n MET 211 Ca -0.10 0.21 0.02 0.00 -1.81 0.00 0.00 57.70 56.02 2i6a n MET 211 Cb 0.24 -1.52 -0.04 0.00 -0.71 0.00 0.00 33.22 31.19 2i6a n MET 211 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2i6a h LYS 212 N 0.00 0.00 0.01 0.03 3.64 -1.16 -3.34 116.57 115.75 2i6a h LYS 212 Ca 0.00 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.04 2i6a h LYS 212 Cb 0.31 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.07 2i6a h LYS 212 CO 0.00 0.33 -2.06 0.28 -2.27 0.00 0.00 179.45 175.72 2i6a n VAL 213 N -2.98 1.52 -0.38 2.00 0.31 -0.46 -4.44 118.33 113.90 2i6a n VAL 213 Ca -0.05 -0.80 0.30 0.00 -0.01 0.00 0.00 64.34 63.78 2i6a n VAL 213 Cb 0.78 -0.85 0.59 0.00 -0.91 0.00 0.00 33.84 33.44 2i6a n VAL 213 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 2i6a h MET 214 N 0.00 0.22 0.00 5.55 1.85 -0.69 0.31 114.93 122.17 2i6a h MET 214 Ca -0.42 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.65 2i6a h MET 214 Cb 2.11 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 34.09 2i6a h MET 214 CO 0.05 0.14 0.00 -2.30 -0.40 0.00 0.00 176.91 174.40 2i6a n PRO 215 N -4.66 0.03 -0.00 0.39 -0.02 -1.26 -2.30 135.00 127.18 2i6a n PRO 215 Ca 0.31 0.29 0.08 0.00 -2.02 0.00 0.00 63.50 62.16 2i6a n PRO 215 Cb 1.17 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 33.04 2i6a n PRO 215 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2i6a n TYR 216 N -1.46 0.00 -2.18 6.00 4.02 0.11 0.15 117.16 123.79 2i6a n TYR 216 Ca 0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.49 2i6a n TYR 216 Cb 0.12 -0.14 -0.02 0.00 -0.02 0.00 0.00 39.34 39.28 2i6a n TYR 216 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2i6a s VAL 217 N -2.75 3.76 0.03 -0.72 1.01 -0.97 -4.65 120.40 116.11 2i6a s VAL 217 Ca 0.02 0.82 -0.16 0.00 0.00 0.00 0.00 61.98 62.65 2i6a s VAL 217 Cb 0.12 -3.86 -0.33 0.00 0.00 0.00 0.00 36.38 32.31 2i6a s VAL 217 CO 0.67 -0.44 1.03 0.44 0.00 0.00 0.00 175.10 176.80 2i6a h ASP 218 N 10.97 0.81 -3.25 3.32 3.32 -1.35 -3.45 116.42 126.80 2i6a h ASP 218 Ca -0.31 -0.89 -0.52 0.00 0.02 0.00 0.00 57.03 55.33 2i6a h ASP 218 Cb 1.14 -0.26 -0.36 0.00 0.22 0.00 0.00 39.33 40.07 2i6a h ASP 218 CO 1.03 1.63 -0.80 -0.63 -1.72 0.00 0.00 179.24 178.75 2i6a s ILE 219 N -2.73 1.02 -0.21 0.35 1.01 -0.95 0.15 121.20 119.83 2i6a s ILE 219 Ca -0.10 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.16 2i6a s ILE 219 Cb 0.04 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 2i6a s ILE 219 CO 0.93 0.36 0.05 -0.22 0.00 0.00 0.00 174.94 176.06 2i6a s LEU 220 N 1.42 3.59 0.40 2.97 2.96 -0.03 -1.91 118.68 128.08 2i6a s LEU 220 Ca -0.01 -0.06 0.08 0.00 -0.22 0.00 0.00 54.13 53.92 2i6a s LEU 220 Cb -0.13 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 2i6a s LEU 220 CO -0.05 0.09 0.38 -0.36 -1.32 0.00 0.00 176.35 175.09 2i6a s PHE 221 N 0.89 2.75 0.00 5.38 0.40 -0.08 -0.56 117.98 126.76 2i6a s PHE 221 Ca 0.03 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.91 2i6a s PHE 221 Cb -0.14 -2.13 0.00 0.00 0.51 0.00 0.00 43.02 41.26 2i6a s PHE 221 CO 0.02 -0.10 0.00 0.41 0.70 0.00 0.00 175.22 176.26 2i6a n GLY 222 N -1.55 1.43 0.00 4.36 0.00 -1.03 -1.39 105.19 107.01 2i6a n GLY 222 Ca 0.03 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2i6a n GLY 222 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2i6a n ASN 223 N 0.00 0.34 -0.09 1.61 2.04 -1.26 -1.07 115.26 116.82 2i6a n ASN 223 Ca 0.00 -0.92 -0.14 0.00 -0.44 0.00 0.00 54.58 53.08 2i6a n ASN 223 Cb 0.00 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.21 2i6a n ASN 223 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 2i6a h GLU 224 N 0.00 0.86 -0.25 -3.83 -0.00 -1.49 -2.11 114.58 107.77 2i6a h GLU 224 Ca 0.00 -0.51 -0.11 0.00 -0.00 0.00 0.00 59.36 58.74 2i6a h GLU 224 Cb 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 28.78 2i6a h GLU 224 CO 0.00 1.15 -0.30 1.79 -0.00 0.00 0.00 179.01 181.65 2i6a h THR 225 N 0.65 1.28 -0.33 -1.06 1.35 -1.97 -1.25 112.91 111.58 2i6a h THR 225 Ca 0.03 -1.37 -0.15 0.00 -0.55 0.00 0.00 66.41 64.37 2i6a h THR 225 Cb 1.06 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 68.88 2i6a h THR 225 CO 0.11 0.43 -0.39 -0.33 -0.25 0.00 0.00 175.52 175.09 2i6a h GLU 226 N 0.45 0.85 -0.63 4.72 5.08 -1.91 -1.10 114.58 122.03 2i6a h GLU 226 Ca 0.06 -0.47 -0.07 0.00 -1.00 0.00 0.00 59.36 57.87 2i6a h GLU 226 Cb 0.75 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 2i6a h GLU 226 CO 0.06 1.11 0.10 0.00 -1.00 0.00 0.00 179.01 179.28 2i6a h ALA 227 N 0.72 0.98 0.30 3.43 0.00 -1.28 -0.08 119.26 123.34 2i6a h ALA 227 Ca 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2i6a h ALA 227 Cb 0.99 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2i6a h ALA 227 CO 0.09 0.64 -0.14 0.00 0.00 0.00 0.00 179.25 179.84 2i6a h ALA 228 N 1.13 -0.40 -0.71 0.00 0.00 -1.04 -1.35 119.26 116.89 2i6a h ALA 228 Ca 0.20 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.05 2i6a h ALA 228 Cb 0.42 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 2i6a h ALA 228 CO 0.01 -0.62 0.34 1.15 0.00 0.00 0.00 179.25 180.14 2i6a h THR 229 N -0.62 0.82 -0.52 0.00 2.02 -1.12 -1.19 112.91 112.29 2i6a h THR 229 Ca -0.04 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 2i6a h THR 229 Cb 0.45 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2i6a h THR 229 CO 0.07 0.10 0.21 0.15 0.37 0.00 0.00 175.52 176.42 2i6a h PHE 230 N 0.57 0.79 0.37 3.16 3.57 -0.89 -1.53 116.94 122.98 2i6a h PHE 230 Ca 0.36 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 2i6a h PHE 230 Cb 0.41 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 2i6a h PHE 230 CO -0.12 0.65 -0.45 0.00 -2.23 0.00 0.00 178.31 176.17 2i6a h ALA 231 N 1.06 -0.95 -0.51 2.41 0.00 -0.39 0.11 119.26 121.00 2i6a h ALA 231 Ca 0.17 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2i6a h ALA 231 Cb 0.19 0.67 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 2i6a h ALA 231 CO -0.01 -1.08 0.10 -0.09 0.00 0.00 0.00 179.25 178.17 2i6a h ARG 232 N -0.85 0.23 0.00 0.00 2.43 -1.09 -0.85 114.38 114.24 2i6a h ARG 232 Ca -0.03 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 2i6a h ARG 232 Cb 0.77 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 2i6a h ARG 232 CO -0.11 0.15 -0.24 0.93 -1.51 0.00 0.00 179.97 179.19 2i6a h GLU 233 N 0.24 0.00 -0.01 0.20 4.39 -1.00 -2.66 114.58 115.73 2i6a h GLU 233 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 2i6a h GLU 233 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2i6a h GLU 233 CO -0.33 0.24 -0.09 1.04 -1.16 0.00 0.00 179.01 178.71 2i6a n GLN 234 N -4.03 1.49 -2.59 2.33 1.13 0.00 -4.96 117.38 110.75 2i6a n GLN 234 Ca -0.02 -0.93 -0.12 0.00 -1.94 0.00 0.00 57.00 53.99 2i6a n GLN 234 Cb 0.31 -1.48 0.02 0.00 0.11 0.00 0.00 30.24 29.20 2i6a n GLN 234 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2i6a n GLY 235 N 1.25 -0.01 0.24 1.08 0.00 -0.67 -4.94 105.19 102.14 2i6a n GLY 235 Ca 0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 2i6a n GLY 235 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2i6a h PHE 236 N -0.62 0.54 -5.11 1.61 -1.00 -1.60 -3.48 116.94 107.28 2i6a h PHE 236 Ca -0.29 -0.11 -0.30 0.00 2.81 0.00 0.00 57.97 60.09 2i6a h PHE 236 Cb 1.20 -0.14 0.14 0.00 3.61 0.00 0.00 35.95 40.76 2i6a h PHE 236 CO 0.29 0.68 -0.63 0.39 -1.61 0.00 0.00 178.31 177.43 2i6a n GLU 237 N -4.14 -5.99 -3.64 1.51 -0.58 -1.26 -5.01 120.64 101.53 2i6a n GLU 237 Ca -0.00 0.72 -0.09 0.00 -0.42 0.00 0.00 57.16 57.37 2i6a n GLU 237 Cb 0.39 -5.37 -0.07 0.00 -0.57 0.00 0.00 31.44 25.81 2i6a n GLU 237 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 2i6a s THR 238 N -3.30 0.00 -1.86 2.62 -1.32 -1.26 -5.00 115.64 105.52 2i6a s THR 238 Ca 0.15 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.83 2i6a s THR 238 Cb -0.07 -1.00 0.52 0.00 -1.51 0.00 0.00 72.50 70.45 2i6a s THR 238 CO 0.62 0.00 1.44 0.29 -2.21 0.00 0.00 174.62 174.76 2i6a n LYS 239 N 3.66 2.65 -3.03 7.08 5.02 -1.26 -4.82 118.16 127.46 2i6a n LYS 239 Ca -0.18 -2.44 -0.41 0.00 -2.02 0.00 0.00 58.31 53.27 2i6a n LYS 239 Cb 0.57 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 34.04 2i6a n LYS 239 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2i6a s ASP 240 N -1.10 6.74 0.09 4.39 -1.08 -1.26 -4.99 116.67 119.47 2i6a s ASP 240 Ca 0.41 0.91 -0.27 0.00 -0.52 0.00 0.00 52.55 53.09 2i6a s ASP 240 Cb 0.22 -2.38 -0.15 0.00 -1.46 0.00 0.00 42.92 39.15 2i6a s ASP 240 CO 0.29 -0.36 1.69 -0.29 0.52 0.00 0.00 175.17 177.02 2i6a h ILE 241 N 5.27 0.70 -0.96 4.11 6.09 -1.99 0.07 117.51 130.80 2i6a h ILE 241 Ca -0.29 0.00 0.04 0.00 -1.37 0.00 0.00 64.86 63.24 2i6a h ILE 241 Cb 1.13 0.70 -0.06 0.00 0.47 0.00 0.00 36.82 39.07 2i6a h ILE 241 CO 0.80 0.00 0.63 0.11 -3.07 0.00 0.00 178.15 176.62 2i6a h LYS 242 N -0.36 1.18 -0.55 2.19 1.57 -1.97 0.27 116.57 118.89 2i6a h LYS 242 Ca -0.02 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 2i6a h LYS 242 Cb 0.30 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2i6a h LYS 242 CO 0.03 0.78 0.12 1.49 -0.57 0.00 0.00 179.45 181.29 2i6a h GLU 243 N 1.21 0.86 -0.35 3.15 4.57 -1.94 0.27 114.58 122.36 2i6a h GLU 243 Ca 0.38 -0.19 -0.17 0.00 -1.18 0.00 0.00 59.36 58.21 2i6a h GLU 243 Cb 0.01 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.47 2i6a h GLU 243 CO -0.12 0.79 -0.43 0.82 -1.18 0.00 0.00 179.01 178.88 2i6a h ILE 244 N 0.83 1.27 0.00 2.32 2.04 -0.18 -0.17 117.51 123.62 2i6a h ILE 244 Ca 0.18 -1.61 -0.05 0.00 1.00 0.00 0.00 64.86 64.38 2i6a h ILE 244 Cb 0.33 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2i6a h ILE 244 CO 0.00 0.53 -0.22 0.00 0.00 0.00 0.00 178.15 178.46 2i6a h ALA 245 N 0.78 1.45 0.11 1.87 0.00 0.01 -0.24 119.26 123.23 2i6a h ALA 245 Ca 0.05 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.54 2i6a h ALA 245 Cb 1.03 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.80 2i6a h ALA 245 CO 0.10 0.28 -0.93 -0.22 0.00 0.00 0.00 179.25 178.48 2i6a h LYS 246 N 0.00 0.44 -0.06 0.00 3.64 -0.18 -2.89 116.57 117.51 2i6a h LYS 246 Ca -0.00 -0.61 -0.18 0.00 -1.27 0.00 0.00 60.65 58.59 2i6a h LYS 246 Cb 0.44 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 2i6a h LYS 246 CO 0.03 1.26 -0.72 0.87 -2.27 0.00 0.00 179.45 178.62 2i6a h LYS 247 N -0.08 0.32 -0.43 1.90 1.57 -0.86 -2.80 116.57 116.19 2i6a h LYS 247 Ca -0.15 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.34 2i6a h LYS 247 Cb 1.67 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 34.02 2i6a h LYS 247 CO 0.18 0.91 0.16 1.15 -0.57 0.00 0.00 179.45 181.28 2i6a h THR 248 N 0.22 1.20 0.00 -0.16 2.02 -1.15 -2.38 112.91 112.66 2i6a h THR 248 Ca -0.03 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 2i6a h THR 248 Cb 1.28 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.52 2i6a h THR 248 CO 0.12 0.23 -0.05 0.06 0.37 0.00 0.00 175.52 176.25 2i6a h GLN 249 N 0.55 0.00 -0.01 6.66 -0.00 -1.41 -1.71 115.11 119.19 2i6a h GLN 249 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.79 2i6a h GLN 249 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.69 2i6a h GLN 249 CO -0.01 0.05 -0.18 0.00 -0.00 0.00 0.00 178.83 178.69 2i6a n ALA 250 N -2.33 2.92 -1.61 0.06 0.00 -0.91 -4.53 120.51 114.11 2i6a n ALA 250 Ca -0.03 -0.37 -0.37 0.00 0.00 0.00 0.00 53.44 52.68 2i6a n ALA 250 Cb 0.14 -1.20 0.06 0.00 0.00 0.00 0.00 19.45 18.45 2i6a n ALA 250 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2i6a n LEU 251 N -0.65 3.89 -4.61 0.00 4.77 -0.64 -4.83 117.00 114.93 2i6a n LEU 251 Ca 0.14 0.78 -0.48 0.00 -0.03 0.00 0.00 56.01 56.43 2i6a n LEU 251 Cb 0.32 -1.40 -0.04 0.00 -2.33 0.00 0.00 43.42 39.98 2i6a n LEU 251 CO 0.24 -1.84 0.82 -2.65 -1.33 0.00 0.00 177.39 172.62 2i6a n PRO 252 N -1.20 1.44 -5.10 3.23 -0.02 -1.26 -4.98 135.00 127.12 2i6a n PRO 252 Ca 0.14 0.51 -0.31 0.00 -2.02 0.00 0.00 63.50 61.83 2i6a n PRO 252 Cb 0.48 -2.06 -0.15 0.00 -0.02 0.00 0.00 33.50 31.74 2i6a n PRO 252 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2i6a s LYS 253 N -0.37 2.09 -0.07 -0.52 2.20 -1.26 -4.26 119.74 117.55 2i6a s LYS 253 Ca 0.72 -0.95 -0.15 0.00 -0.36 0.00 0.00 55.97 55.23 2i6a s LYS 253 Cb -0.79 -2.08 -0.11 0.00 -1.51 0.00 0.00 37.83 33.34 2i6a s LYS 253 CO 0.51 0.56 0.56 1.98 -0.36 0.00 0.00 175.35 178.60 2i6a h MET 254 N 5.22 -0.21 -5.53 4.03 1.85 0.96 -3.42 114.93 117.84 2i6a h MET 254 Ca -0.45 0.01 -0.63 0.00 -0.61 0.00 0.00 59.70 58.02 2i6a h MET 254 Cb 1.13 0.05 -0.14 0.00 0.43 0.00 0.00 31.60 33.07 2i6a h MET 254 CO 0.47 0.11 0.42 1.21 -0.40 0.00 0.00 176.91 178.71 2i6a s ASN 255 N -5.45 6.28 0.00 1.39 2.47 -1.26 -4.92 114.94 113.45 2i6a s ASN 255 Ca -0.09 -0.63 0.16 0.00 0.42 0.00 0.00 52.86 52.72 2i6a s ASN 255 Cb 0.00 -2.39 0.97 0.00 -1.45 0.00 0.00 41.25 38.38 2i6a s ASN 255 CO 0.31 -1.18 1.45 -1.54 -3.72 0.00 0.00 177.10 172.43 2i6a n SER 256 N 7.15 0.00 0.18 -4.21 3.41 -1.26 -3.16 113.62 115.73 2i6a n SER 256 Ca -0.02 -0.96 0.10 0.00 -0.26 0.00 0.00 58.87 57.74 2i6a n SER 256 Cb 0.46 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.53 2i6a n SER 256 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2i6a h LYS 257 N 0.00 0.00 -4.15 4.33 1.57 -1.99 -3.43 116.57 112.90 2i6a h LYS 257 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 2i6a h LYS 257 Cb 0.00 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 31.94 2i6a h LYS 257 CO 0.00 0.09 -0.80 1.03 -0.57 0.00 0.00 179.45 179.20 2i6a s ARG 258 N -3.19 1.40 -0.01 3.15 0.52 -1.19 -5.12 118.95 114.52 2i6a s ARG 258 Ca 0.05 -0.26 -0.30 0.00 -0.52 0.00 0.00 55.73 54.70 2i6a s ARG 258 Cb 0.06 -1.60 -0.03 0.00 0.52 0.00 0.00 34.95 33.90 2i6a s ARG 258 CO 0.70 -0.31 0.97 -1.14 0.02 0.00 0.00 175.30 175.55 2i6a s GLN 259 N 1.73 4.55 0.81 3.54 2.00 -1.26 -4.89 119.66 126.14 2i6a s GLN 259 Ca 0.04 1.40 -0.14 0.00 -2.00 0.00 0.00 55.36 54.66 2i6a s GLN 259 Cb -0.13 -3.46 0.02 0.00 0.80 0.00 0.00 33.01 30.24 2i6a s GLN 259 CO -0.08 -0.06 0.74 -2.13 -0.50 0.00 0.00 175.29 173.27 2i6a n ARG 260 N 3.94 0.12 -4.36 1.67 0.63 -1.26 -4.89 116.66 112.51 2i6a n ARG 260 Ca 0.06 0.10 -0.20 0.00 -0.92 0.00 0.00 57.85 56.88 2i6a n ARG 260 Cb 0.51 -2.05 -0.13 0.00 0.45 0.00 0.00 32.46 31.23 2i6a n ARG 260 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2i6a s ILE 261 N -2.10 1.13 -0.05 5.15 1.01 0.12 -4.35 121.20 122.11 2i6a s ILE 261 Ca 0.66 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 60.30 2i6a s ILE 261 Cb -0.29 -1.03 0.02 0.00 0.01 0.00 0.00 42.46 41.16 2i6a s ILE 261 CO 0.58 0.00 -0.07 -0.69 0.00 0.00 0.00 174.94 174.76 2i6a s VAL 262 N -0.87 0.74 -0.26 2.92 1.01 -0.57 -0.85 120.40 122.51 2i6a s VAL 262 Ca 0.02 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2i6a s VAL 262 Cb -0.08 -0.72 0.07 0.00 0.00 0.00 0.00 36.38 35.65 2i6a s VAL 262 CO 0.01 0.27 -0.03 -0.63 0.00 0.00 0.00 175.10 174.72 2i6a s ILE 263 N 0.83 1.67 -0.18 2.22 1.01 0.27 -0.89 121.20 126.13 2i6a s ILE 263 Ca -0.12 -1.47 -0.08 0.00 0.00 0.00 0.00 60.65 58.98 2i6a s ILE 263 Cb -0.15 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 2i6a s ILE 263 CO 0.01 -0.23 0.07 -0.36 0.00 0.00 0.00 174.94 174.43 2i6a s PHE 264 N 1.30 3.28 0.08 3.97 0.08 0.04 -2.48 117.98 124.25 2i6a s PHE 264 Ca -0.02 0.12 -0.01 0.00 0.12 0.00 0.00 56.93 57.14 2i6a s PHE 264 Cb -0.19 -2.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.14 2i6a s PHE 264 CO -0.08 0.19 0.24 0.95 -0.10 0.00 0.00 175.22 176.42 2i6a s THR 265 N 0.32 5.35 -0.26 0.64 -4.23 -0.23 -0.27 115.64 116.95 2i6a s THR 265 Ca 0.04 -0.30 0.16 0.00 -1.18 0.00 0.00 61.69 60.40 2i6a s THR 265 Cb -0.12 -3.63 0.48 0.00 1.34 0.00 0.00 72.50 70.57 2i6a s THR 265 CO -0.00 0.12 1.15 0.00 -0.54 0.00 0.00 174.62 175.35 2i6a n GLN 266 N 0.25 2.49 0.00 3.99 6.02 -1.25 -1.13 117.38 127.76 2i6a n GLN 266 Ca -0.05 -3.75 0.00 0.00 -0.01 0.00 0.00 57.00 53.20 2i6a n GLN 266 Cb 0.51 -1.85 0.00 0.00 1.02 0.00 0.00 30.24 29.92 2i6a n GLN 266 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2i6a n GLY 267 N -0.63 2.21 0.49 1.08 0.00 -1.26 -1.54 105.19 105.54 2i6a n GLY 267 Ca 0.23 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.38 2i6a n GLY 267 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i6a n ARG 268 N 5.04 1.59 -3.36 1.61 1.74 -1.26 -4.89 116.66 117.13 2i6a n ARG 268 Ca 0.00 -0.99 -0.23 0.00 -0.77 0.00 0.00 57.85 55.86 2i6a n ARG 268 Cb 0.00 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 29.95 2i6a n ARG 268 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2i6a s ASP 269 N -2.09 6.14 0.70 0.55 1.01 -0.59 -4.71 116.67 117.67 2i6a s ASP 269 Ca 0.34 0.28 -0.17 0.00 0.71 0.00 0.00 52.55 53.72 2i6a s ASP 269 Cb 0.21 -1.78 -0.08 0.00 1.01 0.00 0.00 42.92 42.27 2i6a s ASP 269 CO 0.37 -0.39 0.19 0.47 0.21 0.00 0.00 175.17 176.02 2i6a n ASP 270 N -1.80 -2.43 -4.79 0.27 8.00 -1.26 -4.05 116.55 110.49 2i6a n ASP 270 Ca -0.03 0.56 -0.37 0.00 0.71 0.00 0.00 54.79 55.66 2i6a n ASP 270 Cb 0.57 -1.06 -0.07 0.00 -0.02 0.00 0.00 41.12 40.54 2i6a n ASP 270 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2i6a s THR 271 N -1.94 5.29 -0.06 -3.53 2.01 -0.71 -3.77 115.64 112.94 2i6a s THR 271 Ca 0.60 0.53 -0.01 0.00 0.31 0.00 0.00 61.69 63.12 2i6a s THR 271 Cb -0.37 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 2i6a s THR 271 CO 0.63 0.50 -0.01 -0.63 -0.69 0.00 0.00 174.62 174.42 2i6a s ILE 272 N -0.30 4.17 -0.05 1.82 1.09 0.63 -1.10 121.20 127.45 2i6a s ILE 272 Ca 0.18 -0.37 0.01 0.00 -1.10 0.00 0.00 60.65 59.36 2i6a s ILE 272 Cb -0.14 -2.77 0.02 0.00 -1.06 0.00 0.00 42.46 38.52 2i6a s ILE 272 CO 0.06 0.55 -0.05 -0.32 -0.10 0.00 0.00 174.94 175.08 2i6a s MET 273 N -1.04 0.94 -0.06 2.79 -2.45 -0.42 -0.78 119.30 118.29 2i6a s MET 273 Ca 0.15 -0.14 0.03 0.00 -1.25 0.00 0.00 55.69 54.47 2i6a s MET 273 Cb -0.11 -0.91 -0.03 0.00 1.25 0.00 0.00 34.83 35.03 2i6a s MET 273 CO 0.04 -0.07 -0.12 0.00 1.05 0.00 0.00 175.02 175.92 2i6a s ALA 274 N 0.89 2.76 0.20 4.11 0.00 -0.07 -0.63 121.76 129.02 2i6a s ALA 274 Ca -0.11 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 50.92 2i6a s ALA 274 Cb -0.15 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.91 2i6a s ALA 274 CO 0.01 0.55 0.09 0.25 0.00 0.00 0.00 175.76 176.66 2i6a n THR 275 N 2.31 0.00 -0.19 0.00 -2.24 0.61 -1.50 114.28 113.26 2i6a n THR 275 Ca -0.17 -1.22 -0.08 0.00 -2.27 0.00 0.00 64.05 60.31 2i6a n THR 275 Cb 0.52 0.48 0.02 0.00 -2.10 0.00 0.00 70.33 69.25 2i6a n THR 275 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2i6a h GLU 276 N 0.00 0.76 0.44 -0.78 4.81 -1.90 -3.23 114.58 114.68 2i6a h GLU 276 Ca -0.15 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 2i6a h GLU 276 Cb 0.62 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2i6a h GLU 276 CO 0.24 0.62 -0.21 0.77 -0.73 0.00 0.00 179.01 179.70 2i6a h SER 277 N 0.71 -0.50 -3.18 1.04 0.02 -1.97 -3.49 113.55 106.19 2i6a h SER 277 Ca 0.18 0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.99 2i6a h SER 277 Cb 0.11 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 2i6a h SER 277 CO -0.02 -0.30 -0.01 -0.62 -1.14 0.00 0.00 176.83 174.73 2i6a n GLU 278 N -3.87 0.65 -4.62 3.45 1.02 -1.22 -5.16 120.64 110.90 2i6a n GLU 278 Ca -0.07 -2.05 -0.33 0.00 -0.02 0.00 0.00 57.16 54.69 2i6a n GLU 278 Cb 0.23 2.12 -0.15 0.00 -0.02 0.00 0.00 31.44 33.63 2i6a n GLU 278 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2i6a s VAL 279 N -2.60 2.88 0.11 2.62 1.01 -1.26 -0.28 120.40 122.87 2i6a s VAL 279 Ca 0.19 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.51 2i6a s VAL 279 Cb -0.02 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 2i6a s VAL 279 CO 0.14 0.51 -0.11 -0.89 0.00 0.00 0.00 175.10 174.76 2i6a s THR 280 N 0.63 1.02 0.16 3.92 2.01 0.20 -4.97 115.64 118.60 2i6a s THR 280 Ca -0.08 -1.71 0.11 0.00 0.31 0.00 0.00 61.69 60.32 2i6a s THR 280 Cb -0.16 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 2i6a s THR 280 CO 0.03 -0.57 -0.25 0.00 -0.69 0.00 0.00 174.62 173.14 2i6a s ALA 281 N -2.54 2.40 -0.18 7.40 0.00 -1.26 -1.30 121.76 126.27 2i6a s ALA 281 Ca 0.07 -1.53 -0.05 0.00 0.00 0.00 0.00 51.96 50.46 2i6a s ALA 281 Cb -0.02 -0.34 0.06 0.00 0.00 0.00 0.00 23.12 22.82 2i6a s ALA 281 CO 0.00 0.47 0.09 -0.06 0.00 0.00 0.00 175.76 176.27 2i6a s PHE 282 N -1.36 0.24 0.55 0.00 0.08 -0.26 -4.93 117.98 112.30 2i6a s PHE 282 Ca 0.16 -0.39 -0.21 0.00 0.12 0.00 0.00 56.93 56.61 2i6a s PHE 282 Cb -0.09 -0.73 -0.05 0.00 -0.57 0.00 0.00 43.02 41.59 2i6a s PHE 282 CO 0.08 -0.55 1.28 0.00 -0.10 0.00 0.00 175.22 175.93 2i6a s ALA 283 N 2.13 2.73 0.77 5.36 0.00 -1.26 -1.73 121.76 129.75 2i6a s ALA 283 Ca 0.03 1.18 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 2i6a s ALA 283 Cb -0.16 -3.51 0.05 0.00 0.00 0.00 0.00 23.12 19.51 2i6a s ALA 283 CO -0.12 -1.23 1.09 0.08 0.00 0.00 0.00 175.76 175.58 2i6a s VAL 284 N -1.42 3.30 0.24 0.00 1.01 -1.26 -4.89 120.40 117.37 2i6a s VAL 284 Ca 0.73 0.42 -0.31 0.00 0.00 0.00 0.00 61.98 62.82 2i6a s VAL 284 Cb -0.36 -3.17 -0.11 0.00 0.00 0.00 0.00 36.38 32.74 2i6a s VAL 284 CO 0.41 -0.55 1.54 -0.76 0.00 0.00 0.00 175.10 175.74 2i6a s LEU 285 N -5.71 4.37 -0.04 3.92 1.43 -1.26 -4.86 118.68 116.53 2i6a s LEU 285 Ca 0.60 2.76 -0.10 0.00 -1.03 0.00 0.00 54.13 56.36 2i6a s LEU 285 Cb -0.14 -3.62 -0.12 0.00 0.03 0.00 0.00 46.19 42.34 2i6a s LEU 285 CO 0.54 -0.82 1.22 0.47 0.23 0.00 0.00 176.35 178.00 2i6a n ASP 286 N 2.80 0.47 -2.32 2.29 8.00 -1.26 -4.54 116.55 121.99 2i6a n ASP 286 Ca 0.10 -2.17 -0.27 0.00 0.71 0.00 0.00 54.79 53.16 2i6a n ASP 286 Cb 0.39 -0.52 0.01 0.00 -0.02 0.00 0.00 41.12 40.97 2i6a n ASP 286 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i6a n GLN 287 N 5.92 2.30 -0.04 -1.24 10.64 -1.26 -4.98 117.38 128.72 2i6a n GLN 287 Ca 0.16 -2.42 -0.04 0.00 -1.83 0.00 0.00 57.00 52.87 2i6a n GLN 287 Cb 0.14 -2.01 0.04 0.00 -0.86 0.00 0.00 30.24 27.55 2i6a n GLN 287 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2i6a n ASP 288 N 0.18 -2.13 0.00 2.61 8.00 -1.26 -3.53 116.55 120.42 2i6a n ASP 288 Ca 0.46 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.84 2i6a n ASP 288 Cb 0.54 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 2i6a n ASP 288 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i6a n GLN 289 N -2.27 -0.88 0.17 -1.24 10.64 -1.26 -4.67 117.38 117.86 2i6a n GLN 289 Ca 0.02 0.06 0.13 0.00 -1.83 0.00 0.00 57.00 55.38 2i6a n GLN 289 Cb 0.08 -2.46 0.59 0.00 -0.86 0.00 0.00 30.24 27.59 2i6a n GLN 289 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.06 176.80 2i6a h LYS 290 N 0.00 0.00 0.00 2.61 5.09 -1.99 -3.45 116.57 118.82 2i6a h LYS 290 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2i6a h LYS 290 Cb 0.12 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.45 2i6a h LYS 290 CO 0.00 0.00 0.00 -0.85 -2.09 0.00 0.00 179.45 176.51 2i6a n GLU 291 N -2.39 0.00 -0.01 0.07 0.28 -1.26 -3.39 120.64 113.93 2i6a n GLU 291 Ca 0.01 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2i6a n GLU 291 Cb 0.17 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.04 2i6a n GLU 291 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2i6a n ILE 292 N 0.00 0.04 -3.36 3.84 5.41 -1.26 -4.76 119.36 119.27 2i6a n ILE 292 Ca 0.00 -0.03 -0.45 0.00 1.00 0.00 0.00 62.75 63.28 2i6a n ILE 292 Cb 0.00 -1.51 -0.05 0.00 -0.71 0.00 0.00 39.64 37.37 2i6a n ILE 292 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 2i6a s ILE 293 N 4.45 5.04 -0.61 1.39 -4.36 -1.22 -4.95 121.20 120.93 2i6a s ILE 293 Ca 0.01 -1.67 -0.35 0.00 -0.26 0.00 0.00 60.65 58.38 2i6a s ILE 293 Cb 0.00 -4.23 -0.16 0.00 1.25 0.00 0.00 42.46 39.32 2i6a s ILE 293 CO -0.00 -0.87 2.36 -0.67 0.24 0.00 0.00 174.94 176.00 2i6a n ASP 294 N 5.04 1.18 -0.08 4.36 4.64 -1.26 -4.79 116.55 125.64 2i6a n ASP 294 Ca -0.10 0.31 -0.10 0.00 -1.38 0.00 0.00 54.79 53.52 2i6a n ASP 294 Cb 0.41 -1.09 -0.03 0.00 -1.04 0.00 0.00 41.12 39.37 2i6a n ASP 294 CO 0.00 0.00 0.00 0.74 -0.82 0.00 0.00 177.20 177.12 2i6a h THR 295 N 7.42 1.14 0.04 5.18 2.02 -1.95 -0.59 112.91 126.16 2i6a h THR 295 Ca -0.15 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 66.65 2i6a h THR 295 Cb 1.34 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 2i6a h THR 295 CO 1.17 0.14 -0.15 0.78 0.37 0.00 0.00 175.52 177.83 2i6a h ASN 296 N 0.31 -0.43 -0.73 4.18 -0.26 -1.99 0.50 115.58 117.15 2i6a h ASN 296 Ca 0.09 0.06 0.06 0.00 -0.56 0.00 0.00 56.30 55.95 2i6a h ASN 296 Cb 0.10 0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 37.49 2i6a h ASN 296 CO -0.01 -0.22 0.48 1.23 -1.06 0.00 0.00 177.43 177.85 2i6a h GLY 297 N -0.27 0.98 1.23 2.83 0.00 -1.93 -0.57 103.07 105.34 2i6a h GLY 297 Ca 0.04 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 2i6a h GLY 297 CO -0.12 0.24 -0.09 0.00 0.00 0.00 0.00 176.54 176.57 2i6a h ALA 298 N 1.60 0.89 0.06 3.60 0.00 0.43 -2.28 119.26 123.56 2i6a h ALA 298 Ca 0.31 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2i6a h ALA 298 Cb 0.21 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2i6a h ALA 298 CO -0.10 0.64 -0.36 0.78 0.00 0.00 0.00 179.25 180.21 2i6a h GLY 299 N 0.97 -0.67 0.88 0.00 0.00 0.15 0.70 103.07 105.11 2i6a h GLY 299 Ca 0.14 0.43 0.10 0.00 0.00 0.00 0.00 47.33 48.00 2i6a h GLY 299 CO 0.04 -0.25 0.49 -0.55 0.00 0.00 0.00 176.54 176.27 2i6a h ASP 300 N -0.55 0.58 -0.05 0.19 3.32 -1.13 -1.48 116.42 117.30 2i6a h ASP 300 Ca 0.04 0.01 -0.25 0.00 0.02 0.00 0.00 57.03 56.86 2i6a h ASP 300 Cb 0.61 -0.11 0.02 0.00 0.22 0.00 0.00 39.33 40.07 2i6a h ASP 300 CO -0.25 0.35 -0.94 0.00 -1.72 0.00 0.00 179.24 176.68 2i6a h ALA 301 N 1.62 0.18 -0.19 3.45 0.00 -1.06 -2.67 119.26 120.59 2i6a h ALA 301 Ca 0.34 -0.66 0.04 0.00 0.00 0.00 0.00 54.91 54.64 2i6a h ALA 301 Cb 0.48 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 2i6a h ALA 301 CO -0.12 0.67 -0.48 0.35 0.00 0.00 0.00 179.25 179.66 2i6a h PHE 302 N 0.42 -1.42 -0.52 0.00 3.57 0.21 -0.14 116.94 119.07 2i6a h PHE 302 Ca -0.10 0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.53 2i6a h PHE 302 Cb 1.59 0.64 -0.06 0.00 2.79 0.00 0.00 35.95 40.91 2i6a h PHE 302 CO 0.10 -0.50 0.16 0.28 -2.23 0.00 0.00 178.31 176.12 2i6a h VAL 303 N -0.50 0.79 -0.62 1.41 2.07 -1.52 -0.25 116.25 117.63 2i6a h VAL 303 Ca 0.07 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2i6a h VAL 303 Cb 0.65 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2i6a h VAL 303 CO -0.45 0.06 0.40 1.23 0.02 0.00 0.00 177.57 178.82 2i6a h GLY 304 N 0.33 0.88 1.08 2.17 0.00 -1.16 0.25 103.07 106.61 2i6a h GLY 304 Ca 0.25 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 2i6a h GLY 304 CO -0.28 0.28 0.34 -1.33 0.00 0.00 0.00 176.54 175.56 2i6a h GLY 305 N 0.80 1.26 0.79 4.60 0.00 -0.45 0.39 103.07 110.46 2i6a h GLY 305 Ca 0.24 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 2i6a h GLY 305 CO -0.08 0.63 -0.01 -2.75 0.00 0.00 0.00 176.54 174.33 2i6a h PHE 306 N 1.15 -0.01 -0.83 5.60 3.04 -0.47 -3.05 116.94 122.37 2i6a h PHE 306 Ca 0.27 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.25 2i6a h PHE 306 Cb 0.18 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.65 2i6a h PHE 306 CO 0.02 0.20 0.53 -0.07 -2.02 0.00 0.00 178.31 176.97 2i6a h LEU 307 N -0.23 0.89 -1.72 0.59 3.38 -0.37 -2.36 115.31 115.48 2i6a h LEU 307 Ca -0.00 -0.01 0.26 0.00 0.09 0.00 0.00 57.88 58.22 2i6a h LEU 307 Cb 0.22 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 2i6a h LEU 307 CO 0.00 0.61 0.67 0.77 0.09 0.00 0.00 178.44 180.59 2i6a h SER 308 N 1.04 0.21 0.05 -0.43 4.64 -0.81 -2.20 113.55 116.06 2i6a h SER 308 Ca 0.33 0.03 -0.35 0.00 -0.47 0.00 0.00 61.79 61.33 2i6a h SER 308 Cb 0.00 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2i6a h SER 308 CO -0.11 0.06 -1.96 0.00 -0.87 0.00 0.00 176.83 173.95 2i6a n GLN 309 N -4.40 0.67 0.21 4.77 1.13 -1.01 -4.37 117.38 114.38 2i6a n GLN 309 Ca 0.21 0.33 0.17 0.00 -1.94 0.00 0.00 57.00 55.77 2i6a n GLN 309 Cb 0.92 -1.66 0.83 0.00 0.11 0.00 0.00 30.24 30.44 2i6a n GLN 309 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2i6a h LEU 310 N -0.36 0.00 -0.75 1.08 6.46 -1.23 0.44 115.31 120.93 2i6a h LEU 310 Ca -0.47 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 2i6a h LEU 310 Cb 1.76 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.69 2i6a h LEU 310 CO -0.09 0.00 0.00 1.62 -0.62 0.00 0.00 178.44 179.35 2i6a h VAL 311 N 0.00 0.00 0.00 1.05 3.04 -1.60 -2.89 116.25 115.85 2i6a h VAL 311 Ca 0.08 -0.57 -0.00 0.00 -1.01 0.00 0.00 66.70 65.21 2i6a h VAL 311 Cb 0.46 1.51 -0.00 0.00 -2.01 0.00 0.00 31.29 31.25 2i6a h VAL 311 CO -0.00 0.00 -0.48 -1.54 -1.01 0.00 0.00 177.57 174.54 2i6a n SER 312 N -2.80 1.74 -2.16 3.17 3.41 0.13 -4.99 113.62 112.12 2i6a n SER 312 Ca 0.02 -3.85 -0.20 0.00 -0.26 0.00 0.00 58.87 54.58 2i6a n SER 312 Cb 0.36 -0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 2i6a n SER 312 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2i6a n ASP 313 N -1.13 -5.51 -4.79 4.04 8.00 -1.09 -4.98 116.55 111.09 2i6a n ASP 313 Ca 0.19 0.16 -0.32 0.00 0.71 0.00 0.00 54.79 55.52 2i6a n ASP 313 Cb 0.69 -4.68 0.05 0.00 -0.02 0.00 0.00 41.12 37.16 2i6a n ASP 313 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2i6a s LYS 314 N -4.63 2.81 0.40 -1.24 -0.14 -1.12 -4.96 119.74 110.85 2i6a s LYS 314 Ca 0.00 1.17 -0.27 0.00 -1.36 0.00 0.00 55.97 55.52 2i6a s LYS 314 Cb 0.00 -1.96 -0.10 0.00 -1.68 0.00 0.00 37.83 34.09 2i6a s LYS 314 CO 0.00 -1.22 1.43 -2.14 -0.76 0.00 0.00 175.35 172.66 2i6a s PRO 315 N -4.55 3.97 0.57 -1.68 0.02 -1.26 -4.72 135.00 127.34 2i6a s PRO 315 Ca 0.62 2.44 0.38 0.00 0.02 0.00 0.00 61.00 64.46 2i6a s PRO 315 Cb -0.17 -2.85 1.47 0.00 0.02 0.00 0.00 34.50 32.97 2i6a s PRO 315 CO 0.48 -0.59 1.64 -0.07 -0.33 0.00 0.00 177.00 178.13 2i6a h LEU 316 N 2.77 0.00 -0.50 -5.54 3.38 -1.99 0.44 115.31 113.87 2i6a h LEU 316 Ca -0.51 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.30 2i6a h LEU 316 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2i6a h LEU 316 CO 0.63 0.00 -0.59 0.74 0.09 0.00 0.00 178.44 179.31 2i6a h THR 317 N 0.00 1.33 -0.08 0.22 2.02 -1.99 -0.15 112.91 114.26 2i6a h THR 317 Ca 0.62 -1.88 -0.19 0.00 0.77 0.00 0.00 66.41 65.73 2i6a h THR 317 Cb 2.73 1.86 -0.00 0.00 -1.74 0.00 0.00 68.15 71.00 2i6a h THR 317 CO -0.01 0.58 -0.74 -0.08 0.37 0.00 0.00 175.52 175.64 2i6a h GLU 318 N 0.38 0.45 0.09 6.66 4.57 -0.50 -1.70 114.58 124.53 2i6a h GLU 318 Ca -0.00 -0.37 -0.00 0.00 -1.18 0.00 0.00 59.36 57.81 2i6a h GLU 318 Cb 1.14 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 2i6a h GLU 318 CO 0.11 1.00 -0.04 0.00 -1.18 0.00 0.00 179.01 178.90 2i6a h ILE 320 N -0.28 0.97 -0.34 0.00 2.04 -1.02 -0.09 117.51 118.79 2i6a h ILE 320 Ca -0.01 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.55 2i6a h ILE 320 Cb 0.24 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 2i6a h ILE 320 CO 0.02 0.12 -0.07 -0.09 0.00 0.00 0.00 178.15 178.13 2i6a h ARG 321 N 0.65 0.65 -0.10 2.37 2.43 -0.92 -1.41 114.38 118.05 2i6a h ARG 321 Ca 0.32 -0.24 -0.10 0.00 -0.81 0.00 0.00 59.98 59.14 2i6a h ARG 321 Cb 0.39 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2i6a h ARG 321 CO -0.11 0.81 -0.40 0.00 -1.51 0.00 0.00 179.97 178.76 2i6a h ALA 322 N 0.82 1.15 -0.34 2.80 0.00 -0.33 -1.08 119.26 122.28 2i6a h ALA 322 Ca 0.09 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2i6a h ALA 322 Cb 0.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2i6a h ALA 322 CO 0.03 0.57 0.04 0.78 0.00 0.00 0.00 179.25 180.67 2i6a h GLY 323 N 1.21 0.61 1.01 0.00 0.00 -0.94 0.44 103.07 105.40 2i6a h GLY 323 Ca 0.02 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 2i6a h GLY 323 CO 0.06 0.39 0.33 0.45 0.00 0.00 0.00 176.54 177.77 2i6a h HIS 324 N 0.39 0.97 0.57 5.60 -0.00 -0.94 -0.97 115.15 120.76 2i6a h HIS 324 Ca 0.10 -0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 60.40 2i6a h HIS 324 Cb 0.38 -0.30 0.01 0.00 -0.00 0.00 0.00 27.41 27.49 2i6a h HIS 324 CO 0.03 0.72 -0.27 -0.92 -0.00 0.00 0.00 177.93 177.48 2i6a h TYR 325 N 0.94 -0.71 -0.62 2.45 3.20 -1.00 -2.64 116.97 118.60 2i6a h TYR 325 Ca 0.23 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.21 2i6a h TYR 325 Cb 0.11 0.23 -0.12 0.00 1.54 0.00 0.00 36.73 38.50 2i6a h TYR 325 CO 0.00 -0.43 -0.24 0.00 -1.64 0.00 0.00 178.16 175.85 2i6a h ALA 326 N -0.37 0.21 -0.77 1.82 0.00 -0.80 -1.40 119.26 117.96 2i6a h ALA 326 Ca -0.08 0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.16 2i6a h ALA 326 Cb 0.60 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 2i6a h ALA 326 CO 0.13 -0.54 0.50 0.00 0.00 0.00 0.00 179.25 179.34 2i6a h ALA 327 N 1.34 1.88 0.00 0.00 0.00 -0.96 -2.13 119.26 119.40 2i6a h ALA 327 Ca 0.28 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2i6a h ALA 327 Cb 0.52 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2i6a h ALA 327 CO -0.67 -0.06 -0.00 0.66 0.00 0.00 0.00 179.25 179.17 2i6a h SER 328 N 0.61 0.00 0.00 0.00 4.64 -0.91 -3.40 113.55 114.49 2i6a h SER 328 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2i6a h SER 328 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2i6a h SER 328 CO -0.13 0.00 0.00 -0.38 -0.87 0.00 0.00 176.83 175.45 2i6a n ILE 329 N -3.10 0.00 -1.56 0.95 2.08 -0.96 -4.83 119.36 111.95 2i6a n ILE 329 Ca 0.04 0.36 -0.16 0.00 0.56 0.00 0.00 62.75 63.55 2i6a n ILE 329 Cb 0.51 -1.36 -0.07 0.00 -0.75 0.00 0.00 39.64 37.96 2i6a n ILE 329 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 2i6a n ILE 330 N -2.24 -0.01 -3.93 1.39 2.08 -0.84 -4.88 119.36 110.93 2i6a n ILE 330 Ca 0.00 -0.53 -0.30 0.00 0.56 0.00 0.00 62.75 62.48 2i6a n ILE 330 Cb 0.00 -1.97 -0.15 0.00 -0.75 0.00 0.00 39.64 36.76 2i6a n ILE 330 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2i6a s ILE 331 N 13.88 1.56 0.32 1.39 1.01 -1.26 -4.80 121.20 133.29 2i6a s ILE 331 Ca 0.96 -1.41 -0.28 0.00 0.00 0.00 0.00 60.65 59.92 2i6a s ILE 331 Cb -0.18 -1.91 -0.10 0.00 0.01 0.00 0.00 42.46 40.29 2i6a s ILE 331 CO 0.13 -0.25 1.16 -0.60 0.00 0.00 0.00 174.94 175.38 2i6a s ARG 332 N 1.35 4.44 0.11 2.79 3.52 -1.26 -5.04 118.95 124.87 2i6a s ARG 332 Ca -0.01 1.90 0.03 0.00 -0.13 0.00 0.00 55.73 57.51 2i6a s ARG 332 Cb -0.19 -3.04 -0.04 0.00 -1.56 0.00 0.00 34.95 30.13 2i6a s ARG 332 CO -0.09 0.00 -0.08 1.03 -0.81 0.00 0.00 175.30 175.35 2i6a s ARG 333 N -1.74 0.90 0.26 5.12 1.81 -1.26 -4.67 118.95 119.37 2i6a s ARG 333 Ca 0.48 -1.33 -0.12 0.00 -1.72 0.00 0.00 55.73 53.05 2i6a s ARG 333 Cb -0.33 -0.40 -0.08 0.00 -0.45 0.00 0.00 34.95 33.69 2i6a s ARG 333 CO 0.43 0.03 0.62 0.99 -0.68 0.00 0.00 175.30 176.69 2i6a s THR 334 N -3.28 4.83 -1.10 0.02 2.01 -1.26 -4.24 115.64 112.62 2i6a s THR 334 Ca 0.12 0.67 0.00 0.00 0.31 0.00 0.00 61.69 62.79 2i6a s THR 334 Cb 0.03 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.91 2i6a s THR 334 CO -0.02 -0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.43 2i6a n GLY 335 N -0.16 0.55 0.06 4.40 0.00 -1.26 -4.94 105.19 103.84 2i6a n GLY 335 Ca 0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 2i6a n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i6a s THR 337 N -1.80 4.38 0.04 0.00 -4.23 -1.26 -5.08 115.64 107.69 2i6a s THR 337 Ca -0.06 1.52 -0.14 0.00 -1.18 0.00 0.00 61.69 61.83 2i6a s THR 337 Cb 0.01 -3.67 -0.06 0.00 1.34 0.00 0.00 72.50 70.12 2i6a s THR 337 CO 0.10 -0.24 0.44 -0.36 -0.54 0.00 0.00 174.62 174.02 2i6a s PHE 338 N -2.07 3.69 0.31 3.99 2.99 -1.26 -5.03 117.98 120.59 2i6a s PHE 338 Ca 0.60 0.98 -0.29 0.00 0.00 0.00 0.00 56.93 58.22 2i6a s PHE 338 Cb -0.11 -2.29 -0.13 0.00 0.00 0.00 0.00 43.02 40.50 2i6a s PHE 338 CO 0.15 0.59 1.35 -2.30 -0.00 0.00 0.00 175.22 175.01 2i6a n PRO 339 N 1.48 2.14 -0.37 0.24 -0.02 -1.26 -4.86 135.00 132.35 2i6a n PRO 339 Ca -0.11 0.76 0.04 0.00 -2.02 0.00 0.00 63.50 62.16 2i6a n PRO 339 Cb 0.52 -2.38 0.19 0.00 -0.02 0.00 0.00 33.50 31.82 2i6a n PRO 339 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2i6a h GLU 340 N 3.25 1.10 -6.36 -0.52 5.08 -2.00 -3.42 114.58 111.71 2i6a h GLU 340 Ca -0.46 -0.07 -0.60 0.00 -1.00 0.00 0.00 59.36 57.24 2i6a h GLU 340 Cb 1.28 -0.25 -0.20 0.00 0.50 0.00 0.00 28.75 30.08 2i6a h GLU 340 CO 0.68 0.73 -0.82 0.15 -1.00 0.00 0.00 179.01 178.74 2i6a s LYS 341 N -6.02 1.30 0.29 2.33 -0.14 -1.26 -5.14 119.74 111.11 2i6a s LYS 341 Ca -0.12 -1.34 -0.21 0.00 -1.36 0.00 0.00 55.97 52.94 2i6a s LYS 341 Cb 0.21 -1.58 -0.09 0.00 -1.68 0.00 0.00 37.83 34.69 2i6a s LYS 341 CO 0.81 0.35 0.82 -1.25 -0.76 0.00 0.00 175.35 175.32 2i6a s PRO 342 N -2.33 4.29 -0.74 -1.68 0.04 -1.26 -5.01 135.00 128.31 2i6a s PRO 342 Ca 0.13 0.99 0.04 0.00 0.04 0.00 0.00 61.00 62.20 2i6a s PRO 342 Cb -0.08 -2.68 0.24 0.00 0.04 0.00 0.00 34.50 32.01 2i6a s PRO 342 CO 0.06 0.26 0.81 -3.47 0.04 0.00 0.00 177.00 174.71 2i6a n ASP 343 N 0.30 4.06 -0.08 6.66 2.03 -1.26 -4.81 116.55 123.46 2i6a n ASP 343 Ca 0.01 -3.37 -0.09 0.00 0.52 0.00 0.00 54.79 51.86 2i6a n ASP 343 Cb 0.52 -0.81 -0.09 0.00 -0.72 0.00 0.00 41.12 40.01 2i6a n ASP 343 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2i6a n PHE 344 N 1.26 0.00 -0.65 -0.67 7.35 -1.26 -5.29 117.46 118.20 2i6a n PHE 344 Ca 0.27 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 2i6a n PHE 344 Cb 0.38 -0.66 0.00 0.00 0.35 0.00 0.00 39.48 39.55 2i6a n PHE 344 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72