#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8i n ASP 3 N 0.00 7.34 -4.45 3.42 2.03 -1.26 -4.97 116.55 118.66 1n8i n ASP 3 Ca 0.00 -3.73 -0.22 0.00 0.52 0.00 0.00 54.79 51.36 1n8i n ASP 3 Cb 0.00 -1.13 -0.10 0.00 -0.72 0.00 0.00 41.12 39.17 1n8i n ASP 3 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1n8i s ARG 4 N -4.26 1.60 -0.12 -0.67 0.52 -1.26 -1.44 118.95 113.32 1n8i s ARG 4 Ca 0.42 -1.77 0.01 0.00 -0.52 0.00 0.00 55.73 53.86 1n8i s ARG 4 Cb 0.25 -1.44 -0.02 0.00 0.52 0.00 0.00 34.95 34.27 1n8i s ARG 4 CO -0.20 0.17 -0.14 0.08 0.02 0.00 0.00 175.30 175.23 1n8i s VAL 5 N -2.78 2.99 -0.24 3.52 1.01 0.16 -4.84 120.40 120.22 1n8i s VAL 5 Ca 0.29 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 1n8i s VAL 5 Cb 0.00 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1n8i s VAL 5 CO 0.13 0.53 0.61 -0.94 0.00 0.00 0.00 175.10 175.43 1n8i s SER 6 N 0.23 6.57 -0.30 3.32 1.04 -1.26 0.02 113.70 123.33 1n8i s SER 6 Ca -0.09 0.70 -0.02 0.00 0.48 0.00 0.00 55.95 57.02 1n8i s SER 6 Cb -0.15 -2.33 0.10 0.00 0.10 0.00 0.00 66.02 63.73 1n8i s SER 6 CO 0.05 -0.33 0.10 -0.69 0.98 0.00 0.00 173.24 173.35 1n8i s VAL 7 N 2.33 0.62 0.00 5.02 1.01 -0.07 -5.01 120.40 124.30 1n8i s VAL 7 Ca 0.26 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1n8i s VAL 7 Cb -0.16 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1n8i s VAL 7 CO 0.09 -0.66 0.00 0.61 0.00 0.00 0.00 175.10 175.14 1n8i n GLY 8 N 4.96 3.60 0.46 4.51 0.00 -1.26 -1.13 105.19 116.33 1n8i n GLY 8 Ca -0.03 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.02 1n8i n GLY 8 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1n8i n ASN 9 N 7.03 1.38 -4.76 1.61 4.05 -1.26 -4.90 115.26 118.41 1n8i n ASN 9 Ca 0.00 -1.67 -0.28 0.00 0.45 0.00 0.00 54.58 53.07 1n8i n ASN 9 Cb 0.00 -0.09 -0.06 0.00 1.23 0.00 0.00 39.78 40.86 1n8i n ASN 9 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1n8i s LEU 10 N -1.55 3.71 -0.39 1.20 1.43 -0.28 -2.75 118.68 120.06 1n8i s LEU 10 Ca 0.31 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1n8i s LEU 10 Cb 0.16 -2.37 0.12 0.00 0.03 0.00 0.00 46.19 44.13 1n8i s LEU 10 CO 0.25 0.13 0.17 -0.13 0.23 0.00 0.00 176.35 176.99 1n8i s ARG 11 N -2.69 1.18 -0.03 1.70 1.81 0.57 -0.89 118.95 120.59 1n8i s ARG 11 Ca 0.29 -1.73 -0.27 0.00 -1.72 0.00 0.00 55.73 52.30 1n8i s ARG 11 Cb -0.11 -2.43 -0.03 0.00 -0.45 0.00 0.00 34.95 31.93 1n8i s ARG 11 CO 0.22 -1.07 0.85 0.42 -0.68 0.00 0.00 175.30 175.04 1n8i s ILE 12 N 0.80 4.95 0.16 1.52 1.09 0.10 -2.65 121.20 127.18 1n8i s ILE 12 Ca 0.14 1.77 -0.34 0.00 -1.10 0.00 0.00 60.65 61.12 1n8i s ILE 12 Cb -0.21 -4.19 -0.14 0.00 -1.06 0.00 0.00 42.46 36.85 1n8i s ILE 12 CO -0.09 0.20 1.50 0.00 -0.10 0.00 0.00 174.94 176.45 1n8i n ALA 13 N 3.86 0.87 -0.30 9.38 0.00 -0.28 0.40 120.51 134.44 1n8i n ALA 13 Ca 0.03 0.45 0.08 0.00 0.00 0.00 0.00 53.44 54.00 1n8i n ALA 13 Cb 0.51 -2.28 0.24 0.00 0.00 0.00 0.00 19.45 17.91 1n8i n ALA 13 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1n8i h ARG 14 N 5.36 0.61 -0.79 0.00 9.65 -1.57 -1.00 114.38 126.64 1n8i h ARG 14 Ca -0.45 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 58.42 1n8i h ARG 14 Cb 1.27 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 29.67 1n8i h ARG 14 CO 0.84 0.41 0.52 -0.24 2.80 0.00 0.00 179.97 184.30 1n8i h VAL 15 N 0.63 1.13 -0.11 0.20 3.04 -1.89 0.34 116.25 119.60 1n8i h VAL 15 Ca 0.48 -0.34 -0.09 0.00 -1.01 0.00 0.00 66.70 65.73 1n8i h VAL 15 Cb 0.69 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.03 1n8i h VAL 15 CO -0.37 0.18 -0.30 0.25 -1.01 0.00 0.00 177.57 176.32 1n8i h LEU 16 N 0.99 0.45 -0.20 3.16 5.85 -1.55 -1.54 115.31 122.47 1n8i h LEU 16 Ca 0.31 -0.60 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1n8i h LEU 16 Cb 0.03 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1n8i h LEU 16 CO -0.09 0.97 -0.05 0.22 -0.34 0.00 0.00 178.44 179.15 1n8i h TYR 17 N -0.04 -0.11 -0.45 1.25 3.20 -0.49 -1.71 116.97 118.62 1n8i h TYR 17 Ca -0.01 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1n8i h TYR 17 Cb 0.92 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 1n8i h TYR 17 CO 0.11 -0.09 0.11 -0.44 -1.64 0.00 0.00 178.16 176.22 1n8i h ASP 18 N -0.00 0.67 -0.11 -2.11 3.32 -0.39 -2.39 116.42 115.42 1n8i h ASP 18 Ca 0.10 -0.23 0.04 0.00 0.02 0.00 0.00 57.03 56.96 1n8i h ASP 18 Cb 0.15 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 1n8i h ASP 18 CO -0.21 0.73 -0.17 0.15 -1.72 0.00 0.00 179.24 178.02 1n8i h PHE 19 N 0.59 -0.43 -0.10 4.55 3.57 -0.99 0.12 116.94 124.24 1n8i h PHE 19 Ca 0.14 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.68 1n8i h PHE 19 Cb 0.31 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1n8i h PHE 19 CO 0.02 -0.24 -0.03 0.28 -2.23 0.00 0.00 178.31 176.11 1n8i h VAL 20 N -0.22 0.89 -0.45 1.41 2.07 -1.24 0.20 116.25 118.91 1n8i h VAL 20 Ca 0.09 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.51 1n8i h VAL 20 Cb 0.35 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1n8i h VAL 20 CO -0.24 0.00 -0.12 0.78 0.02 0.00 0.00 177.57 178.01 1n8i h ASN 21 N -0.01 0.89 1.00 0.57 2.35 -1.23 0.19 115.58 119.35 1n8i h ASN 21 Ca 0.05 -0.37 -0.10 0.00 -0.55 0.00 0.00 56.30 55.33 1n8i h ASN 21 Cb 0.09 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1n8i h ASN 21 CO -0.11 1.05 -1.06 0.78 -1.65 0.00 0.00 177.43 176.45 1n8i h ASN 22 N 0.72 0.00 0.00 5.81 2.35 -0.93 -3.38 115.58 120.15 1n8i h ASN 22 Ca 0.11 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1n8i h ASN 22 Cb 0.67 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.04 1n8i h ASN 22 CO 0.05 0.38 -1.03 -0.62 -1.65 0.00 0.00 177.43 174.56 1n8i n GLU 23 N -2.91 0.01 0.05 0.81 1.02 0.69 -4.75 120.64 115.57 1n8i n GLU 23 Ca -0.04 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.90 1n8i n GLU 23 Cb 0.73 -0.63 -0.12 0.00 -0.02 0.00 0.00 31.44 31.40 1n8i n GLU 23 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n8i h ALA 24 N -0.01 0.02 -0.16 0.62 0.00 -1.21 -3.38 119.26 115.15 1n8i h ALA 24 Ca -0.01 -0.69 -0.17 0.00 0.00 0.00 0.00 54.91 54.04 1n8i h ALA 24 Cb 1.01 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1n8i h ALA 24 CO -0.01 0.54 -0.56 -0.07 0.00 0.00 0.00 179.25 179.14 1n8i h LEU 25 N 0.08 0.77 -9.07 0.00 3.38 -0.84 -3.44 115.31 106.19 1n8i h LEU 25 Ca -0.14 -0.61 -0.63 0.00 0.09 0.00 0.00 57.88 56.60 1n8i h LEU 25 Cb 1.66 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 42.19 1n8i h LEU 25 CO 0.18 1.25 1.22 -2.65 0.09 0.00 0.00 178.44 178.53 1n8i n PRO 26 N -4.13 1.88 0.00 1.13 -0.02 -1.26 -1.53 135.00 131.08 1n8i n PRO 26 Ca -0.07 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1n8i n PRO 26 Cb 0.63 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1n8i n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n8i n GLY 27 N 5.05 0.72 0.51 -1.23 0.00 -1.26 -4.97 105.19 104.02 1n8i n GLY 27 Ca 0.28 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.38 1n8i n GLY 27 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n8i n THR 28 N -1.07 0.00 -0.54 2.61 -2.24 -0.58 -4.96 114.28 107.50 1n8i n THR 28 Ca 0.00 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1n8i n THR 28 Cb 0.00 1.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 1n8i n THR 28 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1n8i n ASP 29 N 0.42 0.00 -4.60 3.42 8.00 -1.26 -4.95 116.55 117.58 1n8i n ASP 29 Ca 0.08 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.16 1n8i n ASP 29 Cb 0.37 -0.99 -0.05 0.00 -0.02 0.00 0.00 41.12 40.44 1n8i n ASP 29 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1n8i s ILE 30 N -2.48 4.70 0.29 0.53 1.01 -1.26 -5.03 121.20 118.96 1n8i s ILE 30 Ca 0.00 1.03 -0.29 0.00 0.00 0.00 0.00 60.65 61.39 1n8i s ILE 30 Cb 0.00 -4.24 -0.10 0.00 0.01 0.00 0.00 42.46 38.13 1n8i s ILE 30 CO 0.00 -0.43 1.34 -0.62 0.00 0.00 0.00 174.94 175.22 1n8i s ASP 31 N 1.81 6.77 0.22 3.58 2.15 -1.26 -4.90 116.67 125.04 1n8i s ASP 31 Ca 0.34 2.64 -0.08 0.00 0.43 0.00 0.00 52.55 55.87 1n8i s ASP 31 Cb -0.13 -2.64 0.31 0.00 -0.30 0.00 0.00 42.92 40.17 1n8i s ASP 31 CO 0.17 -0.57 1.77 -0.65 -0.17 0.00 0.00 175.17 175.71 1n8i h PRO 32 N 4.11 0.53 -0.37 4.34 0.11 -1.98 -1.63 132.00 137.11 1n8i h PRO 32 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1n8i h PRO 32 Cb 1.22 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1n8i h PRO 32 CO 0.70 0.35 0.15 0.38 -0.21 0.00 0.00 178.00 179.38 1n8i h ASP 33 N 0.55 0.47 0.37 -2.05 3.04 -1.99 -0.27 116.42 116.52 1n8i h ASP 33 Ca 0.33 -0.04 -0.24 0.00 -3.24 0.00 0.00 57.03 53.85 1n8i h ASP 33 Cb 0.37 -0.12 0.00 0.00 -1.04 0.00 0.00 39.33 38.54 1n8i h ASP 33 CO -0.27 0.42 -1.00 0.28 -2.04 0.00 0.00 179.24 176.63 1n8i h SER 34 N 0.52 0.53 0.42 4.15 0.02 -1.80 -2.59 113.55 114.81 1n8i h SER 34 Ca 0.13 -0.45 -0.02 0.00 -0.84 0.00 0.00 61.79 60.61 1n8i h SER 34 Cb 0.10 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1n8i h SER 34 CO -0.01 1.26 -0.20 0.15 -1.14 0.00 0.00 176.83 176.88 1n8i h PHE 35 N 0.21 -0.53 -0.76 3.45 3.57 -0.63 -1.25 116.94 121.01 1n8i h PHE 35 Ca -0.09 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 1n8i h PHE 35 Cb 1.65 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 40.53 1n8i h PHE 35 CO 0.06 -0.22 0.39 -1.49 -2.23 0.00 0.00 178.31 174.82 1n8i h TRP 36 N -0.80 1.06 -0.60 0.41 4.06 -1.18 0.11 115.95 119.01 1n8i h TRP 36 Ca -0.06 -0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.83 1n8i h TRP 36 Cb 0.54 -0.34 -0.03 0.00 -1.00 0.00 0.00 29.16 28.34 1n8i h TRP 36 CO 0.00 0.75 0.25 0.00 -3.56 0.00 0.00 178.44 175.89 1n8i h ALA 37 N 1.35 1.31 -0.46 1.49 0.00 -1.46 -0.60 119.26 120.89 1n8i h ALA 37 Ca 0.27 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1n8i h ALA 37 Cb 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1n8i h ALA 37 CO -0.04 0.52 0.06 0.78 0.00 0.00 0.00 179.25 180.57 1n8i h GLY 38 N 0.97 0.84 0.73 0.00 0.00 0.19 -0.75 103.07 105.06 1n8i h GLY 38 Ca 0.21 -0.57 0.02 0.00 0.00 0.00 0.00 47.33 46.99 1n8i h GLY 38 CO -0.02 0.53 -0.07 -2.08 0.00 0.00 0.00 176.54 174.90 1n8i h VAL 39 N 0.64 0.80 -0.36 4.60 2.07 -0.15 0.15 116.25 124.00 1n8i h VAL 39 Ca 0.14 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.71 1n8i h VAL 39 Cb 0.41 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1n8i h VAL 39 CO 0.01 0.00 0.06 -0.78 0.02 0.00 0.00 177.57 176.88 1n8i h ASP 40 N -0.09 -0.02 -0.38 0.57 -0.00 -0.98 -0.55 116.42 114.97 1n8i h ASP 40 Ca 0.05 0.06 -0.03 0.00 -0.00 0.00 0.00 57.03 57.12 1n8i h ASP 40 Cb 0.16 0.09 -0.02 0.00 -0.00 0.00 0.00 39.33 39.57 1n8i h ASP 40 CO -0.12 0.03 0.13 0.50 -0.00 0.00 0.00 179.24 179.78 1n8i h LYS 41 N 0.17 0.58 -0.40 0.28 1.63 -0.73 -1.76 116.57 116.35 1n8i h LYS 41 Ca 0.17 -0.12 -0.04 0.00 -0.85 0.00 0.00 60.65 59.81 1n8i h LYS 41 Cb 0.20 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 1n8i h LYS 41 CO -0.24 0.58 0.08 0.28 -3.45 0.00 0.00 179.45 176.70 1n8i h VAL 42 N 0.47 1.23 -0.49 2.00 2.07 -0.44 -1.11 116.25 119.98 1n8i h VAL 42 Ca 0.12 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1n8i h VAL 42 Cb 0.23 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1n8i h VAL 42 CO -0.01 0.28 0.24 0.58 0.02 0.00 0.00 177.57 178.68 1n8i h VAL 43 N 0.50 1.19 -0.27 2.57 2.07 -1.07 -1.30 116.25 119.95 1n8i h VAL 43 Ca 0.12 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1n8i h VAL 43 Cb 0.34 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1n8i h VAL 43 CO 0.00 0.21 0.11 0.00 0.02 0.00 0.00 177.57 177.92 1n8i h ALA 44 N 1.08 0.35 -0.44 1.67 0.00 -1.21 -2.22 119.26 118.49 1n8i h ALA 44 Ca 0.17 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1n8i h ALA 44 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1n8i h ALA 44 CO -0.02 -0.07 -0.08 -0.44 0.00 0.00 0.00 179.25 178.63 1n8i h ASP 45 N 0.29 0.83 0.13 0.00 5.19 -1.08 -3.36 116.42 118.41 1n8i h ASP 45 Ca 0.09 -0.35 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1n8i h ASP 45 Cb 0.16 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.45 1n8i h ASP 45 CO -0.01 0.99 -1.10 0.18 -3.12 0.00 0.00 179.24 176.18 1n8i n LEU 46 N -4.31 0.74 -0.28 1.55 4.77 -0.50 -4.46 117.00 114.51 1n8i n LEU 46 Ca -0.00 -0.29 -0.02 0.00 -0.03 0.00 0.00 56.01 55.66 1n8i n LEU 46 Cb 0.36 -0.04 0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1n8i n LEU 46 CO 0.43 0.17 1.18 0.74 -1.33 0.00 0.00 177.39 178.58 1n8i h THR 47 N 0.00 1.11 -0.78 -5.08 2.02 -1.54 -1.35 112.91 107.29 1n8i h THR 47 Ca 0.00 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 66.87 1n8i h THR 47 Cb 0.61 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 1n8i h THR 47 CO 0.00 0.18 0.51 -0.65 0.37 0.00 0.00 175.52 175.92 1n8i h PRO 48 N 0.96 0.97 -0.46 6.66 0.11 -1.79 -0.09 132.00 138.37 1n8i h PRO 48 Ca 0.31 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.23 1n8i h PRO 48 Cb 0.02 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.90 1n8i h PRO 48 CO -0.11 0.64 -0.23 0.37 -0.21 0.00 0.00 178.00 178.46 1n8i h GLN 49 N 1.00 0.96 -0.32 1.05 4.15 -1.76 -0.97 115.11 119.22 1n8i h GLN 49 Ca 0.30 -0.43 0.02 0.00 0.77 0.00 0.00 58.65 59.32 1n8i h GLN 49 Cb -0.04 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 1n8i h GLN 49 CO -0.09 1.09 0.17 -0.97 -1.93 0.00 0.00 178.83 177.10 1n8i h ASN 50 N 0.81 0.26 -0.51 -0.69 -0.00 -0.68 -0.44 115.58 114.33 1n8i h ASN 50 Ca 0.10 0.01 -0.05 0.00 -0.00 0.00 0.00 56.30 56.36 1n8i h ASN 50 Cb 0.81 -0.04 -0.02 0.00 -0.00 0.00 0.00 38.32 39.07 1n8i h ASN 50 CO 0.07 0.20 0.12 -0.61 -0.00 0.00 0.00 177.43 177.21 1n8i h GLN 51 N 0.35 0.81 -0.73 6.67 5.75 -0.91 -2.64 115.11 124.42 1n8i h GLN 51 Ca 0.13 -0.20 0.09 0.00 -0.15 0.00 0.00 58.65 58.52 1n8i h GLN 51 Cb 0.03 -0.11 -0.07 0.00 1.07 0.00 0.00 27.48 28.40 1n8i h GLN 51 CO -0.08 0.78 0.39 0.00 -2.65 0.00 0.00 178.83 177.28 1n8i h ALA 52 N 1.00 1.02 -0.84 3.38 0.00 -0.63 -0.16 119.26 123.04 1n8i h ALA 52 Ca 0.16 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1n8i h ALA 52 Cb 0.33 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1n8i h ALA 52 CO 0.00 0.02 0.41 -0.07 0.00 0.00 0.00 179.25 179.61 1n8i h LEU 53 N 0.68 1.09 -0.86 0.00 3.38 -0.85 -0.98 115.31 117.77 1n8i h LEU 53 Ca 0.35 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 1n8i h LEU 53 Cb 0.33 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1n8i h LEU 53 CO -0.24 0.91 -0.20 -0.07 0.09 0.00 0.00 178.44 178.93 1n8i h LEU 54 N 1.19 0.62 -0.98 1.67 3.38 -0.91 -2.28 115.31 117.99 1n8i h LEU 54 Ca 0.29 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1n8i h LEU 54 Cb 0.10 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1n8i h LEU 54 CO -0.04 0.82 -0.16 0.78 0.09 0.00 0.00 178.44 179.93 1n8i h ASN 55 N 0.55 0.54 -0.71 -0.43 2.35 -0.51 -2.65 115.58 114.73 1n8i h ASN 55 Ca 0.09 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 1n8i h ASN 55 Cb 0.65 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 1n8i h ASN 55 CO 0.05 0.72 0.24 0.00 -1.65 0.00 0.00 177.43 176.79 1n8i h ALA 56 N 1.33 1.06 -0.08 -0.83 0.00 -0.64 -1.23 119.26 118.86 1n8i h ALA 56 Ca 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1n8i h ALA 56 Cb 0.57 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1n8i h ALA 56 CO 0.04 0.64 0.05 0.00 0.00 0.00 0.00 179.25 179.98 1n8i h ARG 57 N 1.06 0.12 -0.69 0.00 3.08 -1.12 -1.40 114.38 115.42 1n8i h ARG 57 Ca 0.23 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.29 1n8i h ARG 57 Cb 0.28 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 1n8i h ARG 57 CO -0.01 0.13 0.45 -0.44 -1.07 0.00 0.00 179.97 179.03 1n8i h ASP 58 N 0.07 0.77 -0.30 7.04 3.32 -1.23 -0.86 116.42 125.23 1n8i h ASP 58 Ca 0.03 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1n8i h ASP 58 Cb 0.05 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1n8i h ASP 58 CO -0.01 0.56 0.18 -0.08 -1.72 0.00 0.00 179.24 178.17 1n8i h GLU 59 N 0.91 0.41 -0.43 3.56 4.81 -1.03 -0.10 114.58 122.71 1n8i h GLU 59 Ca 0.26 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 1n8i h GLU 59 Cb -0.08 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1n8i h GLU 59 CO -0.07 0.33 0.11 -0.07 -0.73 0.00 0.00 179.01 178.58 1n8i h LEU 60 N 0.38 0.65 -1.34 1.64 3.38 -1.00 -2.44 115.31 116.58 1n8i h LEU 60 Ca 0.11 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1n8i h LEU 60 Cb 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1n8i h LEU 60 CO -0.02 0.71 -0.18 -0.61 0.09 0.00 0.00 178.44 178.43 1n8i h GLN 61 N 0.56 0.21 -0.37 1.13 5.75 -0.95 -1.81 115.11 119.63 1n8i h GLN 61 Ca 0.14 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.50 1n8i h GLN 61 Cb 0.31 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 1n8i h GLN 61 CO 0.00 0.40 -0.06 0.00 -2.65 0.00 0.00 178.83 176.51 1n8i h ALA 62 N 1.62 0.51 -0.62 3.38 0.00 -0.75 -0.58 119.26 122.81 1n8i h ALA 62 Ca 0.04 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1n8i h ALA 62 Cb 0.45 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1n8i h ALA 62 CO 0.03 0.34 0.16 1.96 0.00 0.00 0.00 179.25 181.74 1n8i h GLN 63 N 0.50 0.97 -0.29 0.00 4.20 -1.09 -1.64 115.11 117.77 1n8i h GLN 63 Ca 0.10 -0.21 -0.14 0.00 0.06 0.00 0.00 58.65 58.46 1n8i h GLN 63 Cb 0.57 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1n8i h GLN 63 CO 0.03 0.85 -0.35 0.82 -0.67 0.00 0.00 178.83 179.51 1n8i h ILE 64 N 0.93 1.30 -0.67 2.54 2.04 -1.19 0.01 117.51 122.47 1n8i h ILE 64 Ca 0.20 -1.54 0.03 0.00 1.00 0.00 0.00 64.86 64.55 1n8i h ILE 64 Cb 0.32 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 1n8i h ILE 64 CO -0.00 0.49 0.42 0.44 0.00 0.00 0.00 178.15 179.50 1n8i h ASP 65 N 0.49 0.68 -0.33 1.72 3.45 -0.91 -2.15 116.42 119.38 1n8i h ASP 65 Ca 0.04 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.45 1n8i h ASP 65 Cb 0.94 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.55 1n8i h ASP 65 CO 0.08 0.47 0.02 0.11 -1.57 0.00 0.00 179.24 178.35 1n8i h LYS 66 N 0.81 0.56 -0.73 3.56 1.57 -1.17 -2.01 116.57 119.16 1n8i h LYS 66 Ca 0.27 -0.17 0.12 0.00 -1.87 0.00 0.00 60.65 59.00 1n8i h LYS 66 Cb 0.02 -0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.19 1n8i h LYS 66 CO -0.11 0.68 0.31 2.35 -0.57 0.00 0.00 179.45 182.11 1n8i h TRP 67 N 0.37 0.54 -0.21 -1.35 7.01 -0.60 -0.15 115.95 121.56 1n8i h TRP 67 Ca 0.09 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 60.98 1n8i h TRP 67 Cb 0.41 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 1n8i h TRP 67 CO 0.03 0.11 -0.49 0.45 -2.79 0.00 0.00 178.44 175.75 1n8i h HIS 68 N 0.48 0.70 -0.04 2.65 3.86 -1.26 -3.18 115.15 118.36 1n8i h HIS 68 Ca 0.39 -0.23 -0.13 0.00 -1.16 0.00 0.00 60.37 59.24 1n8i h HIS 68 Cb 0.54 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 1n8i h HIS 68 CO -0.15 0.95 -0.56 0.00 0.86 0.00 0.00 177.93 179.03 1n8i h ARG 69 N 0.45 0.13 0.29 2.45 3.08 -0.54 -3.46 114.38 116.78 1n8i h ARG 69 Ca 0.02 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1n8i h ARG 69 Cb 1.02 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1n8i h ARG 69 CO 0.09 0.66 -0.14 0.00 -1.07 0.00 0.00 179.97 179.51 1n8i h ARG 70 N 0.10 -0.38 -1.22 0.04 3.08 -1.05 -3.51 114.38 111.44 1n8i h ARG 70 Ca -0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1n8i h ARG 70 Cb 1.02 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1n8i h ARG 70 CO 0.08 -0.21 0.00 -3.47 -1.07 0.00 0.00 179.97 175.30 1n8i n ASP 77 N -5.03 -1.14 -0.29 7.04 -0.08 -1.26 -4.96 116.55 110.83 1n8i n ASP 77 Ca -0.05 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.28 1n8i n ASP 77 Cb 0.17 -0.57 0.26 0.00 2.34 0.00 0.00 41.12 43.33 1n8i n ASP 77 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 1n8i h MET 78 N 0.00 0.94 -0.55 -0.67 1.85 -2.00 -1.23 114.93 113.27 1n8i h MET 78 Ca 0.00 -0.06 -0.05 0.00 -0.61 0.00 0.00 59.70 58.99 1n8i h MET 78 Cb 0.00 -0.21 -0.02 0.00 0.43 0.00 0.00 31.60 31.79 1n8i h MET 78 CO 0.00 0.62 0.16 -0.44 -0.40 0.00 0.00 176.91 176.86 1n8i h ASP 79 N 0.97 0.80 -0.33 1.39 3.32 -2.03 -0.18 116.42 120.36 1n8i h ASP 79 Ca 0.39 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 1n8i h ASP 79 Cb 0.26 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1n8i h ASP 79 CO -0.15 0.80 -0.10 0.00 -1.72 0.00 0.00 179.24 178.07 1n8i h ALA 80 N 1.03 0.46 -0.04 3.45 0.00 -1.87 -1.19 119.26 121.09 1n8i h ALA 80 Ca 0.18 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1n8i h ALA 80 Cb 0.29 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1n8i h ALA 80 CO -0.00 0.31 0.02 -0.92 0.00 0.00 0.00 179.25 178.66 1n8i h TYR 81 N 0.43 0.06 -0.99 0.00 3.20 -1.15 -0.34 116.97 118.18 1n8i h TYR 81 Ca 0.08 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1n8i h TYR 81 Cb 0.61 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.81 1n8i h TYR 81 CO 0.05 0.18 0.65 -0.09 -1.64 0.00 0.00 178.16 177.32 1n8i h ARG 82 N -0.07 1.32 -0.47 1.82 2.43 -1.03 0.47 114.38 118.84 1n8i h ARG 82 Ca 0.01 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1n8i h ARG 82 Cb 0.15 -0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1n8i h ARG 82 CO -0.00 0.88 0.20 0.37 -1.51 0.00 0.00 179.97 179.91 1n8i h GLN 83 N 1.35 0.69 0.27 0.20 -0.00 -0.98 -2.02 115.11 114.62 1n8i h GLN 83 Ca 0.36 -0.12 -0.01 0.00 -0.00 0.00 0.00 58.65 58.88 1n8i h GLN 83 Cb -0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 27.48 27.22 1n8i h GLN 83 CO -0.08 0.62 -0.16 0.35 0.00 0.00 0.00 178.83 179.56 1n8i h PHE 84 N 0.61 -0.41 -0.54 3.99 3.57 -0.22 -1.66 116.94 122.29 1n8i h PHE 84 Ca 0.16 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.77 1n8i h PHE 84 Cb 0.17 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1n8i h PHE 84 CO 0.00 -0.25 0.37 -0.07 -2.23 0.00 0.00 178.31 176.13 1n8i h LEU 85 N -0.41 0.18 -0.12 0.59 3.38 -0.78 -1.68 115.31 116.48 1n8i h LEU 85 Ca -0.03 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1n8i h LEU 85 Cb 0.33 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1n8i h LEU 85 CO 0.03 0.10 -0.31 0.74 0.09 0.00 0.00 178.44 179.10 1n8i h THR 86 N 0.20 1.38 -0.84 0.22 2.02 -0.88 -0.38 112.91 114.63 1n8i h THR 86 Ca 0.26 -1.62 0.03 0.00 0.77 0.00 0.00 66.41 65.85 1n8i h THR 86 Cb 0.74 2.12 -0.05 0.00 -1.74 0.00 0.00 68.15 69.22 1n8i h THR 86 CO -0.04 0.48 0.54 -0.33 0.37 0.00 0.00 175.52 176.53 1n8i h GLU 87 N -0.00 1.03 -0.03 6.66 4.39 -0.42 -2.17 114.58 124.03 1n8i h GLU 87 Ca -0.01 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1n8i h GLU 87 Cb 0.92 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1n8i h GLU 87 CO 0.07 0.68 0.00 0.44 -1.16 0.00 0.00 179.01 179.04 1n8i n ILE 88 N -4.56 0.04 -1.01 3.13 -5.35 -0.86 -4.90 119.36 105.85 1n8i n ILE 88 Ca 0.10 -0.07 -0.01 0.00 -0.27 0.00 0.00 62.75 62.51 1n8i n ILE 88 Cb 0.08 -0.16 -0.00 0.00 -1.74 0.00 0.00 39.64 37.82 1n8i n ILE 88 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1n8i n GLY 89 N 0.87 0.47 0.11 3.28 0.00 -0.82 -4.93 105.19 104.17 1n8i n GLY 89 Ca 0.15 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 1n8i n GLY 89 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1n8i h TYR 90 N 0.00 -0.14 -3.48 1.61 3.20 -1.32 -3.41 116.97 113.43 1n8i h TYR 90 Ca -0.01 -0.00 -0.72 0.00 3.14 0.00 0.00 58.73 61.14 1n8i h TYR 90 Cb 0.11 0.05 -0.21 0.00 1.54 0.00 0.00 36.73 38.22 1n8i h TYR 90 CO 0.06 0.36 -0.41 -1.17 -1.64 0.00 0.00 178.16 175.37 1n8i s LEU 91 N -8.94 5.14 0.39 2.82 2.96 -0.72 -4.91 118.68 115.42 1n8i s LEU 91 Ca -0.14 -0.93 0.03 0.00 -0.22 0.00 0.00 54.13 52.87 1n8i s LEU 91 Cb 0.00 -2.18 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 1n8i s LEU 91 CO 0.53 -0.48 0.57 -0.76 -1.32 0.00 0.00 176.35 174.90 1n8i s LEU 92 N 1.71 3.83 0.67 -0.68 1.43 -1.26 -4.31 118.68 120.06 1n8i s LEU 92 Ca 0.05 0.14 -0.17 0.00 -1.03 0.00 0.00 54.13 53.12 1n8i s LEU 92 Cb -0.19 -3.03 -0.00 0.00 0.03 0.00 0.00 46.19 43.00 1n8i s LEU 92 CO 0.10 -0.53 1.27 -2.65 0.23 0.00 0.00 176.35 174.77 1n8i n PRO 93 N -1.87 0.99 -2.53 1.29 -0.02 -1.26 -4.94 135.00 126.66 1n8i n PRO 93 Ca -0.00 0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 1n8i n PRO 93 Cb 0.58 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 1n8i n PRO 93 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1n8i s GLU 94 N -3.44 4.41 0.96 -0.52 2.12 -1.26 -4.93 118.70 116.04 1n8i s GLU 94 Ca 0.81 1.60 -0.12 0.00 0.36 0.00 0.00 54.97 57.62 1n8i s GLU 94 Cb -0.37 -3.50 0.17 0.00 0.26 0.00 0.00 34.13 30.69 1n8i s GLU 94 CO 0.42 -0.33 1.11 -1.25 -0.54 0.00 0.00 175.26 174.67 1n8i s PRO 95 N 1.78 0.72 0.76 4.30 0.04 -1.26 -5.00 135.00 136.34 1n8i s PRO 95 Ca 0.54 0.47 -0.13 0.00 0.04 0.00 0.00 61.00 61.93 1n8i s PRO 95 Cb -0.24 -1.77 0.05 0.00 0.04 0.00 0.00 34.50 32.58 1n8i s PRO 95 CO 0.23 -2.52 1.14 -0.51 0.04 0.00 0.00 177.00 175.38 1n8i s ASP 96 N -3.63 4.26 0.61 6.66 1.01 -1.26 -4.96 116.67 119.36 1n8i s ASP 96 Ca 0.65 2.09 -0.20 0.00 0.71 0.00 0.00 52.55 55.80 1n8i s ASP 96 Cb -0.17 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.17 1n8i s ASP 96 CO 0.56 -2.20 1.32 -1.81 0.21 0.00 0.00 175.17 173.25 1n8i s ASP 97 N -2.65 4.86 0.20 0.27 -0.00 -1.26 -5.01 116.67 113.07 1n8i s ASP 97 Ca 0.67 2.69 -0.24 0.00 -0.00 0.00 0.00 52.55 55.68 1n8i s ASP 97 Cb -0.22 -2.63 0.05 0.00 -0.00 0.00 0.00 42.92 40.12 1n8i s ASP 97 CO 0.49 -1.84 0.86 0.72 -0.00 0.00 0.00 175.17 175.41 1n8i s PHE 98 N -1.35 -0.16 -0.05 4.23 -0.12 -1.26 -5.16 117.98 114.11 1n8i s PHE 98 Ca 0.78 -0.19 0.04 0.00 -0.05 0.00 0.00 56.93 57.51 1n8i s PHE 98 Cb -0.39 0.66 -0.00 0.00 -0.63 0.00 0.00 43.02 42.66 1n8i s PHE 98 CO 0.43 -0.97 -0.17 0.99 -0.05 0.00 0.00 175.22 175.45 1n8i s THR 99 N -3.52 1.45 0.75 -4.49 2.01 -1.26 -4.33 115.64 106.26 1n8i s THR 99 Ca 0.11 -0.73 -0.14 0.00 0.31 0.00 0.00 61.69 61.25 1n8i s THR 99 Cb -0.03 -1.25 0.05 0.00 0.01 0.00 0.00 72.50 71.28 1n8i s THR 99 CO 0.03 0.42 1.19 0.27 -0.69 0.00 0.00 174.62 175.84 1n8i s ILE 100 N 0.06 2.39 -0.01 1.82 -4.36 -0.40 -4.96 121.20 115.73 1n8i s ILE 100 Ca -0.04 0.18 0.01 0.00 -0.26 0.00 0.00 60.65 60.53 1n8i s ILE 100 Cb -0.12 -2.67 0.01 0.00 1.25 0.00 0.00 42.46 40.94 1n8i s ILE 100 CO 0.02 -0.11 0.98 0.35 0.24 0.00 0.00 174.94 176.41 1n8i n THR 101 N -2.94 0.98 -1.69 8.37 -2.24 0.72 -5.02 114.28 112.47 1n8i n THR 101 Ca 0.13 -0.99 -0.51 0.00 -2.27 0.00 0.00 64.05 60.41 1n8i n THR 101 Cb 0.51 0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 69.18 1n8i n THR 101 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1n8i n THR 102 N -0.51 0.45 -4.59 4.28 -1.04 -1.14 -4.87 114.28 106.86 1n8i n THR 102 Ca 0.01 -0.08 -0.27 0.00 -2.04 0.00 0.00 64.05 61.67 1n8i n THR 102 Cb 0.29 -1.65 -0.11 0.00 -1.82 0.00 0.00 70.33 67.03 1n8i n THR 102 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1n8i s SER 103 N 3.60 3.64 -0.68 8.00 1.04 -1.26 -4.79 113.70 123.26 1n8i s SER 103 Ca 0.93 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1n8i s SER 103 Cb -0.80 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 64.98 1n8i s SER 103 CO 0.54 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1n8i n GLY 104 N -0.93 0.06 3.88 7.32 0.00 -1.26 -5.01 105.19 109.25 1n8i n GLY 104 Ca -0.05 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 1n8i n GLY 104 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n8i s VAL 105 N -2.39 5.36 0.63 1.61 1.01 -1.26 -4.07 120.40 121.29 1n8i s VAL 105 Ca 0.00 0.25 -0.16 0.00 0.00 0.00 0.00 61.98 62.08 1n8i s VAL 105 Cb 0.00 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1n8i s VAL 105 CO 0.00 0.50 1.10 -1.81 0.00 0.00 0.00 175.10 174.89 1n8i s ASP 106 N -1.35 5.34 0.47 3.32 1.01 -1.26 -4.83 116.67 119.37 1n8i s ASP 106 Ca 0.22 1.98 0.16 0.00 0.71 0.00 0.00 52.55 55.61 1n8i s ASP 106 Cb -0.13 -2.55 1.13 0.00 1.01 0.00 0.00 42.92 42.38 1n8i s ASP 106 CO 0.11 -1.47 2.03 0.00 0.21 0.00 0.00 175.17 176.04 1n8i h ALA 107 N 0.26 2.08 -0.13 5.23 0.00 -1.98 -1.79 119.26 122.93 1n8i h ALA 107 Ca -0.47 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.46 1n8i h ALA 107 Cb 1.24 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1n8i h ALA 107 CO 0.55 -0.18 0.15 0.93 0.00 0.00 0.00 179.25 180.70 1n8i h GLU 108 N 0.26 0.00 0.00 0.00 3.07 -1.92 -1.36 114.58 114.64 1n8i h GLU 108 Ca 0.20 0.00 -0.39 0.00 -0.50 0.00 0.00 59.36 58.67 1n8i h GLU 108 Cb 0.47 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.31 1n8i h GLU 108 CO -0.04 0.00 -2.40 -0.89 -1.40 0.00 0.00 179.01 174.28 1n8i n ILE 109 N -3.79 1.40 0.08 3.13 5.41 -0.71 -4.26 119.36 120.62 1n8i n ILE 109 Ca 0.00 -0.47 -0.08 0.00 1.00 0.00 0.00 62.75 63.20 1n8i n ILE 109 Cb 0.26 -1.54 -0.07 0.00 -0.71 0.00 0.00 39.64 37.58 1n8i n ILE 109 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1n8i h THR 110 N -0.34 1.60 0.00 1.39 1.35 -1.44 -3.28 112.91 112.20 1n8i h THR 110 Ca -0.58 -3.03 -0.02 0.00 -0.55 0.00 0.00 66.41 62.23 1n8i h THR 110 Cb 1.74 2.70 -0.00 0.00 -1.73 0.00 0.00 68.15 70.86 1n8i h THR 110 CO -0.20 0.87 -1.06 0.41 -0.25 0.00 0.00 175.52 175.30 1n8i n THR 111 N -3.50 0.06 -2.52 6.82 -1.04 -0.58 -3.26 114.28 110.25 1n8i n THR 111 Ca -0.02 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.54 1n8i n THR 111 Cb 0.89 -0.83 -0.03 0.00 -1.82 0.00 0.00 70.33 68.54 1n8i n THR 111 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1n8i s THR 112 N -2.02 4.37 -0.23 12.58 2.01 -0.79 -4.97 115.64 126.60 1n8i s THR 112 Ca -0.01 1.69 -0.10 0.00 0.31 0.00 0.00 61.69 63.58 1n8i s THR 112 Cb 0.00 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 1n8i s THR 112 CO 0.02 0.05 0.15 0.00 -0.69 0.00 0.00 174.62 174.15 1n8i s ALA 113 N 1.77 3.60 -0.03 7.40 0.00 -1.26 -4.66 121.76 128.58 1n8i s ALA 113 Ca 0.55 -0.87 -0.30 0.00 0.00 0.00 0.00 51.96 51.34 1n8i s ALA 113 Cb -0.24 -2.29 0.12 0.00 0.00 0.00 0.00 23.12 20.71 1n8i s ALA 113 CO 0.24 -0.15 1.31 0.20 0.00 0.00 0.00 175.76 177.36 1n8i s GLY 114 N 0.97 -0.34 0.61 0.00 0.00 -0.10 -4.88 107.32 103.58 1n8i s GLY 114 Ca 0.07 0.52 -0.18 0.00 0.00 0.00 0.00 44.72 45.13 1n8i s GLY 114 CO 0.04 1.89 0.96 -1.05 0.00 0.00 0.00 173.10 174.94 1n8i n PRO 115 N -0.62 0.86 -3.91 2.90 -0.02 -1.24 -4.08 135.00 128.88 1n8i n PRO 115 Ca -0.05 0.34 -0.30 0.00 -2.02 0.00 0.00 63.50 61.47 1n8i n PRO 115 Cb 0.62 -2.17 -0.16 0.00 -0.02 0.00 0.00 33.50 31.77 1n8i n PRO 115 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1n8i s GLN 116 N -2.79 1.53 0.16 -0.52 0.74 -0.07 -3.04 119.66 115.68 1n8i s GLN 116 Ca 0.76 -0.79 -0.16 0.00 0.05 0.00 0.00 55.36 55.23 1n8i s GLN 116 Cb -0.41 -2.37 -0.07 0.00 1.10 0.00 0.00 33.01 31.26 1n8i s GLN 116 CO 0.47 -0.54 0.59 -1.17 -0.55 0.00 0.00 175.29 174.09 1n8i s LEU 117 N 1.51 4.34 -0.03 3.68 2.96 -0.75 -2.00 118.68 128.38 1n8i s LEU 117 Ca -0.03 1.16 0.07 0.00 -0.22 0.00 0.00 54.13 55.10 1n8i s LEU 117 Cb -0.17 -3.33 -0.01 0.00 0.50 0.00 0.00 46.19 43.18 1n8i s LEU 117 CO -0.07 0.09 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.12 1n8i s VAL 118 N -1.47 1.90 -0.04 1.68 1.01 -1.22 0.49 120.40 122.77 1n8i s VAL 118 Ca 0.39 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1n8i s VAL 118 Cb -0.15 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.64 1n8i s VAL 118 CO 0.19 0.54 0.15 0.54 0.00 0.00 0.00 175.10 176.52 1n8i s VAL 119 N -0.36 0.03 -0.03 2.92 0.11 -0.68 -4.80 120.40 117.60 1n8i s VAL 119 Ca 0.03 -0.29 -0.30 0.00 -2.93 0.00 0.00 61.98 58.50 1n8i s VAL 119 Cb -0.11 -0.32 -0.06 0.00 -1.53 0.00 0.00 36.38 34.36 1n8i s VAL 119 CO 0.01 -0.16 1.65 -2.84 -3.33 0.00 0.00 175.10 170.43 1n8i s PRO 120 N -0.52 4.19 0.30 1.54 0.02 -1.26 -0.79 135.00 138.47 1n8i s PRO 120 Ca -0.06 2.21 0.25 0.00 0.02 0.00 0.00 61.00 63.43 1n8i s PRO 120 Cb -0.04 -3.90 1.01 0.00 0.02 0.00 0.00 34.50 31.60 1n8i s PRO 120 CO 0.01 -0.81 1.76 -0.24 -0.33 0.00 0.00 177.00 177.38 1n8i h VAL 121 N 5.40 0.00 0.00 3.83 3.04 -1.55 -2.76 116.25 124.21 1n8i h VAL 121 Ca -0.40 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 1n8i h VAL 121 Cb 1.18 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 1n8i h VAL 121 CO 0.95 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 177.69 1n8i n LEU 122 N -2.37 0.55 -4.27 3.16 4.32 -1.26 -4.48 117.00 112.65 1n8i n LEU 122 Ca 0.02 0.56 -0.44 0.00 -0.02 0.00 0.00 56.01 56.13 1n8i n LEU 122 Cb 0.26 -0.40 -0.06 0.00 -1.62 0.00 0.00 43.42 41.61 1n8i n LEU 122 CO 0.22 -0.16 0.10 0.21 -1.22 0.00 0.00 177.39 176.54 1n8i s ASN 123 N -4.02 6.03 0.23 -1.43 3.84 -1.04 -4.90 114.94 113.65 1n8i s ASN 123 Ca 0.11 -1.97 -0.07 0.00 0.21 0.00 0.00 52.86 51.15 1n8i s ASN 123 Cb 0.14 -2.12 0.33 0.00 -0.55 0.00 0.00 41.25 39.04 1n8i s ASN 123 CO 0.55 -0.75 1.80 0.00 -2.79 0.00 0.00 177.10 175.91 1n8i h ALA 124 N 8.55 1.04 0.53 1.71 0.00 -1.85 -0.61 119.26 128.63 1n8i h ALA 124 Ca -0.22 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1n8i h ALA 124 Cb 1.08 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1n8i h ALA 124 CO 0.93 0.06 -0.29 0.00 0.00 0.00 0.00 179.25 179.95 1n8i h ARG 125 N 0.73 -0.74 -0.28 0.00 3.08 -1.94 -1.08 114.38 114.14 1n8i h ARG 125 Ca 0.35 0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.51 1n8i h ARG 125 Cb 0.29 0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 1n8i h ARG 125 CO -0.23 -0.49 -0.07 0.74 -1.07 0.00 0.00 179.97 178.85 1n8i h PHE 126 N -0.76 -0.15 -0.83 3.04 0.05 -1.84 -0.99 116.94 115.46 1n8i h PHE 126 Ca -0.07 0.03 0.10 0.00 3.82 0.00 0.00 57.97 61.84 1n8i h PHE 126 Cb 0.61 0.11 -0.07 0.00 2.00 0.00 0.00 35.95 38.59 1n8i h PHE 126 CO -0.07 -0.12 0.47 0.00 -0.18 0.00 0.00 178.31 178.42 1n8i h ALA 127 N 1.28 1.18 -0.24 2.45 0.00 -0.96 0.70 119.26 123.68 1n8i h ALA 127 Ca 0.13 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1n8i h ALA 127 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1n8i h ALA 127 CO -0.29 0.10 -0.08 -0.07 0.00 0.00 0.00 179.25 178.91 1n8i h LEU 128 N 0.79 0.49 -1.21 0.00 3.38 -0.71 -1.16 115.31 116.89 1n8i h LEU 128 Ca 0.40 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1n8i h LEU 128 Cb 0.37 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1n8i h LEU 128 CO -0.25 0.76 0.51 0.78 0.09 0.00 0.00 178.44 180.34 1n8i h ASN 129 N 0.21 0.91 -0.34 -0.43 -0.26 -0.56 -0.97 115.58 114.14 1n8i h ASN 129 Ca 0.06 -0.03 -0.17 0.00 -0.56 0.00 0.00 56.30 55.60 1n8i h ASN 129 Cb 0.56 -0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 37.59 1n8i h ASN 129 CO 0.03 0.67 -0.45 0.00 -1.06 0.00 0.00 177.43 176.62 1n8i h ALA 130 N 1.50 0.54 -0.69 -0.83 0.00 -0.73 -1.41 119.26 117.64 1n8i h ALA 130 Ca 0.29 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1n8i h ALA 130 Cb -0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1n8i h ALA 130 CO -0.06 0.68 0.16 0.00 0.00 0.00 0.00 179.25 180.03 1n8i h ALA 131 N 0.75 0.98 0.00 0.00 0.00 -0.82 -1.81 119.26 118.37 1n8i h ALA 131 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1n8i h ALA 131 Cb 1.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1n8i h ALA 131 CO 0.11 0.66 0.00 0.09 0.00 0.00 0.00 179.25 180.10 1n8i n ASN 132 N -4.23 0.00 0.00 0.00 3.02 -0.40 -0.46 115.26 113.18 1n8i n ASN 132 Ca 0.05 0.37 0.05 0.00 -0.03 0.00 0.00 54.58 55.02 1n8i n ASN 132 Cb 0.26 -0.45 0.29 0.00 -0.61 0.00 0.00 39.78 39.27 1n8i n ASN 132 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n8i n ALA 133 N -1.45 1.89 -0.06 5.41 0.00 -0.54 -3.07 120.51 122.68 1n8i n ALA 133 Ca 0.08 -0.06 0.17 0.00 0.00 0.00 0.00 53.44 53.62 1n8i n ALA 133 Cb 0.28 -1.16 0.59 0.00 0.00 0.00 0.00 19.45 19.17 1n8i n ALA 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1n8i h ARG 134 N 0.00 0.20 -4.87 0.00 9.65 -1.64 -1.70 114.38 116.04 1n8i h ARG 134 Ca 0.00 -0.01 -0.50 0.00 -1.10 0.00 0.00 59.98 58.37 1n8i h ARG 134 Cb 0.00 -0.05 -0.31 0.00 -1.39 0.00 0.00 29.97 28.22 1n8i h ARG 134 CO 0.00 0.14 -0.81 -1.58 2.80 0.00 0.00 179.97 180.51 1n8i s TRP 135 N -5.21 1.34 -0.02 2.20 0.52 -1.18 0.14 118.94 116.73 1n8i s TRP 135 Ca -0.06 -0.39 -0.11 0.00 0.02 0.00 0.00 56.10 55.56 1n8i s TRP 135 Cb 0.20 -0.94 0.01 0.00 -1.15 0.00 0.00 33.47 31.60 1n8i s TRP 135 CO 0.74 -0.16 0.24 0.20 0.02 0.00 0.00 176.95 177.99 1n8i s GLY 136 N 0.22 -0.08 -0.05 0.98 0.00 -0.74 -4.90 107.32 102.75 1n8i s GLY 136 Ca -0.05 0.19 -0.30 0.00 0.00 0.00 0.00 44.72 44.56 1n8i s GLY 136 CO 0.02 0.02 1.37 -0.45 0.00 0.00 0.00 173.10 174.06 1n8i s SER 137 N -1.18 6.88 0.18 1.64 0.15 -1.26 -1.16 113.70 118.95 1n8i s SER 137 Ca -0.12 2.00 0.00 0.00 0.70 0.00 0.00 55.95 58.53 1n8i s SER 137 Cb -0.06 -2.55 0.07 0.00 -1.71 0.00 0.00 66.02 61.77 1n8i s SER 137 CO 0.03 -0.73 1.44 0.25 1.20 0.00 0.00 173.24 175.43 1n8i h LEU 138 N 8.80 0.40 -0.16 3.45 5.85 -1.52 -2.40 115.31 129.74 1n8i h LEU 138 Ca -0.35 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.10 1n8i h LEU 138 Cb 1.16 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1n8i h LEU 138 CO 0.92 1.01 0.10 1.88 -0.34 0.00 0.00 178.44 182.00 1n8i h TYR 139 N 0.22 0.21 -0.52 1.25 -1.99 -1.91 0.55 116.97 114.77 1n8i h TYR 139 Ca -0.03 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.67 1n8i h TYR 139 Cb 1.32 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.96 1n8i h TYR 139 CO 0.04 0.16 0.22 -0.44 -0.00 0.00 0.00 178.16 178.14 1n8i h ASP 140 N 0.19 0.71 -0.20 3.88 3.32 -1.93 0.13 116.42 122.52 1n8i h ASP 140 Ca 0.06 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 1n8i h ASP 140 Cb 0.01 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1n8i h ASP 140 CO -0.01 0.67 -0.01 0.00 -1.72 0.00 0.00 179.24 178.16 1n8i h ALA 141 N 1.07 1.39 0.16 3.45 0.00 -1.15 0.33 119.26 124.50 1n8i h ALA 141 Ca 0.18 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 1n8i h ALA 141 Cb 0.17 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.84 1n8i h ALA 141 CO -0.02 0.43 -0.99 -0.07 0.00 0.00 0.00 179.25 178.60 1n8i h LEU 142 N 0.47 0.52 -0.42 0.00 3.38 -0.62 -3.22 115.31 115.42 1n8i h LEU 142 Ca 0.10 -0.94 -0.11 0.00 0.09 0.00 0.00 57.88 57.02 1n8i h LEU 142 Cb 0.33 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1n8i h LEU 142 CO 0.01 1.47 -0.16 0.22 0.09 0.00 0.00 178.44 180.07 1n8i h TYR 143 N -0.28 0.98 -0.00 1.13 3.20 -0.67 -3.25 116.97 118.07 1n8i h TYR 143 Ca -0.18 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.46 1n8i h TYR 143 Cb 1.74 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.78 1n8i h TYR 143 CO 0.18 0.99 -0.04 0.41 -1.64 0.00 0.00 178.16 178.07 1n8i n GLY 144 N -0.13 -1.35 3.81 1.82 0.00 0.10 -4.90 105.19 104.55 1n8i n GLY 144 Ca -0.01 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1n8i n GLY 144 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n8i s THR 145 N -2.78 1.16 -2.09 2.61 -4.23 -1.22 -5.03 115.64 104.07 1n8i s THR 145 Ca 0.21 -1.88 0.17 0.00 -1.18 0.00 0.00 61.69 59.01 1n8i s THR 145 Cb 0.20 -2.04 0.44 0.00 1.34 0.00 0.00 72.50 72.43 1n8i s THR 145 CO 0.51 0.00 1.56 -0.90 -0.54 0.00 0.00 174.62 175.25 1n8i n ASP 146 N -1.42 0.65 -0.11 3.99 5.75 -1.26 -3.63 116.55 120.52 1n8i n ASP 146 Ca -0.17 -1.61 0.08 0.00 -0.01 0.00 0.00 54.79 53.08 1n8i n ASP 146 Cb 0.66 -0.05 0.42 0.00 -1.03 0.00 0.00 41.12 41.12 1n8i n ASP 146 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1n8i h VAL 147 N 0.84 1.00 -3.22 2.12 2.07 -1.86 -3.07 116.25 114.14 1n8i h VAL 147 Ca 0.00 -0.20 -0.74 0.00 0.82 0.00 0.00 66.70 66.57 1n8i h VAL 147 Cb 0.19 0.35 -0.26 0.00 -1.52 0.00 0.00 31.29 30.05 1n8i h VAL 147 CO 0.00 0.11 -0.31 -0.63 0.02 0.00 0.00 177.57 176.75 1n8i s ILE 148 N -5.54 4.77 0.37 4.57 -1.09 -1.24 -4.91 121.20 118.12 1n8i s ILE 148 Ca -0.09 -1.55 -0.26 0.00 -2.23 0.00 0.00 60.65 56.52 1n8i s ILE 148 Cb 0.19 -4.05 -0.12 0.00 -1.58 0.00 0.00 42.46 36.90 1n8i s ILE 148 CO 0.75 -0.78 1.09 -0.81 -1.23 0.00 0.00 174.94 173.97 1n8i n PRO 149 N 5.09 1.56 -1.65 2.79 -0.04 -1.16 -4.85 135.00 136.74 1n8i n PRO 149 Ca -0.11 0.55 -0.34 0.00 -0.04 0.00 0.00 63.50 63.56 1n8i n PRO 149 Cb 0.41 -2.07 -0.04 0.00 -0.04 0.00 0.00 33.50 31.76 1n8i n PRO 149 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1n8i n GLU 150 N 0.39 3.67 -0.86 0.54 1.02 -1.26 -4.78 120.64 119.36 1n8i n GLU 150 Ca 0.08 -2.73 -0.30 0.00 -0.02 0.00 0.00 57.16 54.19 1n8i n GLU 150 Cb 0.36 -2.48 0.26 0.00 -0.02 0.00 0.00 31.44 29.56 1n8i n GLU 150 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1n8i s THR 151 N -0.62 1.45 0.07 2.62 -4.23 -1.26 -4.47 115.64 109.20 1n8i s THR 151 Ca 0.59 0.00 -0.33 0.00 -1.18 0.00 0.00 61.69 60.77 1n8i s THR 151 Cb 0.24 -2.36 -0.12 0.00 1.34 0.00 0.00 72.50 71.60 1n8i s THR 151 CO -0.11 0.00 1.74 -0.67 -0.54 0.00 0.00 174.62 175.04 1n8i n ASP 152 N -5.07 3.42 0.00 3.99 -0.08 -1.26 -1.51 116.55 116.04 1n8i n ASP 152 Ca 0.14 1.03 0.00 0.00 -1.51 0.00 0.00 54.79 54.44 1n8i n ASP 152 Cb 0.60 -1.43 0.00 0.00 2.34 0.00 0.00 41.12 42.62 1n8i n ASP 152 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1n8i n GLY 153 N 3.92 2.73 0.71 0.27 0.00 -1.26 -4.83 105.19 106.74 1n8i n GLY 153 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 1n8i n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8i n ALA 154 N -0.57 3.02 -2.03 4.61 0.00 -0.57 -4.47 120.51 120.49 1n8i n ALA 154 Ca 0.00 -2.54 -0.29 0.00 0.00 0.00 0.00 53.44 50.61 1n8i n ALA 154 Cb 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 19.45 18.85 1n8i n ALA 154 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1n8i s GLU 155 N -2.92 3.17 -0.06 0.00 1.03 -1.20 -4.53 118.70 114.20 1n8i s GLU 155 Ca 0.40 0.31 -0.25 0.00 0.03 0.00 0.00 54.97 55.45 1n8i s GLU 155 Cb 0.34 -2.19 -0.03 0.00 -0.80 0.00 0.00 34.13 31.44 1n8i s GLU 155 CO 0.06 -0.66 0.77 0.15 -1.33 0.00 0.00 175.26 174.25 1n8i s LYS 156 N -5.07 4.46 0.08 -4.83 1.02 -1.26 -4.82 119.74 109.32 1n8i s LYS 156 Ca 0.54 1.01 0.00 0.00 0.02 0.00 0.00 55.97 57.54 1n8i s LYS 156 Cb -0.11 -3.46 -0.00 0.00 -0.52 0.00 0.00 37.83 33.75 1n8i s LYS 156 CO 0.49 0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.34 1n8i n GLY 157 N 3.08 4.08 0.24 -3.33 0.00 -1.26 -5.03 105.19 102.97 1n8i n GLY 157 Ca 0.01 -2.19 0.02 0.00 0.00 0.00 0.00 46.02 43.86 1n8i n GLY 157 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n8i h PRO 158 N 0.00 0.26 -5.94 1.61 0.11 -2.07 -3.45 132.00 122.53 1n8i h PRO 158 Ca -0.06 -0.06 -0.56 0.00 0.11 0.00 0.00 66.00 65.42 1n8i h PRO 158 Cb 0.19 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 31.19 1n8i h PRO 158 CO 0.10 0.41 -0.51 0.95 -0.21 0.00 0.00 178.00 178.74 1n8i s THR 159 N -4.71 2.42 0.06 -1.15 -4.23 -1.26 -5.08 115.64 101.69 1n8i s THR 159 Ca -0.06 -1.70 -0.32 0.00 -1.18 0.00 0.00 61.69 58.43 1n8i s THR 159 Cb 0.15 -2.98 -0.11 0.00 1.34 0.00 0.00 72.50 70.90 1n8i s THR 159 CO 0.74 -0.04 1.84 0.00 -0.54 0.00 0.00 174.62 176.63 1n8i n TYR 160 N -1.22 2.48 -3.22 3.99 9.36 -1.26 -4.95 117.16 122.34 1n8i n TYR 160 Ca -0.01 -0.10 -0.43 0.00 3.32 0.00 0.00 57.90 60.67 1n8i n TYR 160 Cb 0.64 -2.71 -0.07 0.00 -0.63 0.00 0.00 39.34 36.57 1n8i n TYR 160 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1n8i s ASN 161 N 3.19 6.22 0.25 2.98 3.84 -1.26 -4.95 114.94 125.21 1n8i s ASN 161 Ca 0.86 -0.80 -0.03 0.00 0.21 0.00 0.00 52.86 53.10 1n8i s ASN 161 Cb -0.55 -2.26 0.45 0.00 -0.55 0.00 0.00 41.25 38.33 1n8i s ASN 161 CO 0.42 -0.76 1.78 0.50 -2.79 0.00 0.00 177.10 176.25 1n8i h LYS 162 N 8.88 0.66 -0.10 0.43 1.63 -1.94 0.03 116.57 126.17 1n8i h LYS 162 Ca -0.27 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.49 1n8i h LYS 162 Cb 1.10 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.58 1n8i h LYS 162 CO 0.90 0.44 0.06 0.28 -3.45 0.00 0.00 179.45 177.67 1n8i h VAL 163 N 0.68 1.08 -0.64 2.00 2.07 -1.92 -0.65 116.25 118.86 1n8i h VAL 163 Ca 0.42 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.73 1n8i h VAL 163 Cb 0.49 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1n8i h VAL 163 CO -0.30 0.07 0.38 -0.09 0.02 0.00 0.00 177.57 177.64 1n8i h ARG 164 N 0.08 0.87 -1.00 1.57 2.43 -1.65 -2.13 114.38 114.54 1n8i h ARG 164 Ca 0.04 -0.08 0.08 0.00 -0.81 0.00 0.00 59.98 59.20 1n8i h ARG 164 Cb 0.06 -0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 29.36 1n8i h ARG 164 CO -0.01 0.63 0.65 0.78 -1.51 0.00 0.00 179.97 180.51 1n8i h GLY 165 N 0.86 1.55 1.41 2.80 0.00 -0.63 -0.92 103.07 108.15 1n8i h GLY 165 Ca 0.23 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 1n8i h GLY 165 CO -0.04 0.30 0.11 -0.55 0.00 0.00 0.00 176.54 176.35 1n8i h ASP 166 N 1.14 0.69 -0.57 0.19 3.32 -0.48 -0.59 116.42 120.12 1n8i h ASP 166 Ca 0.45 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 57.27 1n8i h ASP 166 Cb 0.24 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1n8i h ASP 166 CO -0.19 0.69 -0.08 0.11 -1.72 0.00 0.00 179.24 178.05 1n8i h LYS 167 N 0.72 1.06 -0.40 3.56 1.57 -0.80 -1.17 116.57 121.11 1n8i h LYS 167 Ca 0.16 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 1n8i h LYS 167 Cb 0.28 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1n8i h LYS 167 CO -0.00 1.07 0.21 0.28 -0.57 0.00 0.00 179.45 180.44 1n8i h VAL 168 N 0.95 1.16 0.04 0.50 2.07 -0.72 0.00 116.25 120.24 1n8i h VAL 168 Ca 0.15 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.25 1n8i h VAL 168 Cb 0.65 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1n8i h VAL 168 CO 0.04 0.17 -0.06 0.40 0.02 0.00 0.00 177.57 178.14 1n8i h ILE 169 N 0.51 0.85 -0.73 4.57 2.04 -0.90 -1.58 117.51 122.25 1n8i h ILE 169 Ca 0.14 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.96 1n8i h ILE 169 Cb 0.08 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1n8i h ILE 169 CO -0.02 0.00 0.31 0.00 0.00 0.00 0.00 178.15 178.44 1n8i h ALA 170 N 0.82 1.17 -0.21 1.87 0.00 -1.07 -0.22 119.26 121.64 1n8i h ALA 170 Ca 0.01 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1n8i h ALA 170 Cb 0.14 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1n8i h ALA 170 CO -0.04 0.61 0.05 -0.92 0.00 0.00 0.00 179.25 178.95 1n8i h TYR 171 N 1.05 0.08 -0.25 0.00 3.20 -0.66 -1.58 116.97 118.82 1n8i h TYR 171 Ca 0.25 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.03 1n8i h TYR 171 Cb 0.17 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1n8i h TYR 171 CO 0.02 0.03 -0.26 0.00 -1.64 0.00 0.00 178.16 176.31 1n8i h ALA 172 N 1.14 1.08 -0.70 1.82 0.00 -0.92 -2.25 119.26 119.44 1n8i h ALA 172 Ca 0.09 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1n8i h ALA 172 Cb 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1n8i h ALA 172 CO -0.11 0.56 0.24 0.00 0.00 0.00 0.00 179.25 179.94 1n8i h ARG 173 N 0.43 1.06 -0.62 0.00 2.47 -0.60 -0.77 114.38 116.35 1n8i h ARG 173 Ca 0.06 -0.21 -0.09 0.00 -1.26 0.00 0.00 59.98 58.48 1n8i h ARG 173 Cb 0.68 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 1n8i h ARG 173 CO 0.05 0.89 0.02 -0.22 0.56 0.00 0.00 179.97 181.27 1n8i h LYS 174 N 1.03 1.07 -0.42 0.04 3.64 -1.05 -1.52 116.57 119.36 1n8i h LYS 174 Ca 0.23 -0.33 0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1n8i h LYS 174 Cb 0.26 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1n8i h LYS 174 CO -0.01 1.03 0.24 0.35 -2.27 0.00 0.00 179.45 178.79 1n8i h PHE 175 N 0.98 0.45 -0.60 1.91 3.57 -0.80 -0.09 116.94 122.36 1n8i h PHE 175 Ca 0.18 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1n8i h PHE 175 Cb 0.54 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1n8i h PHE 175 CO 0.04 0.25 0.32 -0.07 -2.23 0.00 0.00 178.31 176.62 1n8i h LEU 176 N 0.48 0.76 -0.66 0.59 3.38 -0.91 0.16 115.31 119.10 1n8i h LEU 176 Ca 0.17 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1n8i h LEU 176 Cb 0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1n8i h LEU 176 CO -0.09 0.64 0.39 0.44 0.09 0.00 0.00 178.44 179.91 1n8i h ASP 177 N 0.81 0.80 0.93 -0.43 3.32 -0.74 0.30 116.42 121.42 1n8i h ASP 177 Ca 0.21 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 1n8i h ASP 177 Cb 0.06 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1n8i h ASP 177 CO -0.03 0.64 -0.52 0.44 -1.72 0.00 0.00 179.24 178.05 1n8i h ASP 178 N 0.90 0.00 0.04 6.45 3.32 -0.68 -3.17 116.42 123.27 1n8i h ASP 178 Ca 0.24 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.92 1n8i h ASP 178 Cb -0.01 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1n8i h ASP 178 CO -0.04 0.52 -2.10 -1.20 -1.72 0.00 0.00 179.24 174.70 1n8i n SER 179 N -3.51 2.00 -3.42 6.45 7.64 0.53 -4.73 113.62 118.58 1n8i n SER 179 Ca -0.00 0.18 -0.26 0.00 1.01 0.00 0.00 58.87 59.80 1n8i n SER 179 Cb 0.62 -0.75 -0.09 0.00 -1.01 0.00 0.00 64.21 62.98 1n8i n SER 179 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1n8i n VAL 180 N -3.78 0.59 -1.63 0.44 0.31 0.10 -4.89 118.33 109.47 1n8i n VAL 180 Ca -0.41 -4.44 -0.44 0.00 -0.01 0.00 0.00 64.34 59.04 1n8i n VAL 180 Cb 0.92 -1.99 -0.02 0.00 -0.91 0.00 0.00 33.84 31.85 1n8i n VAL 180 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1n8i n PRO 181 N 1.57 1.61 -2.90 5.55 -0.02 -1.20 -4.64 135.00 134.98 1n8i n PRO 181 Ca 0.25 0.57 -0.29 0.00 -2.02 0.00 0.00 63.50 62.01 1n8i n PRO 181 Cb 0.45 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 1n8i n PRO 181 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1n8i s LEU 182 N 0.03 3.83 0.25 2.45 1.43 -1.26 -0.23 118.68 125.18 1n8i s LEU 182 Ca 0.60 1.01 -0.04 0.00 -1.03 0.00 0.00 54.13 54.66 1n8i s LEU 182 Cb -0.67 -3.89 0.39 0.00 0.03 0.00 0.00 46.19 42.05 1n8i s LEU 182 CO 0.59 -0.40 1.82 0.28 0.23 0.00 0.00 176.35 178.88 1n8i h SER 183 N 1.12 0.75 -5.00 2.29 0.02 -1.32 -3.38 113.55 108.02 1n8i h SER 183 Ca -0.47 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.40 1n8i h SER 183 Cb 1.19 -0.11 -0.19 0.00 0.14 0.00 0.00 62.40 63.43 1n8i h SER 183 CO 0.64 0.44 -0.26 -0.94 -1.14 0.00 0.00 176.83 175.57 1n8i s SER 184 N -5.67 -0.19 0.08 3.07 1.04 -1.26 -4.93 113.70 105.85 1n8i s SER 184 Ca -0.12 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1n8i s SER 184 Cb 0.19 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1n8i s SER 184 CO 0.79 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 175.13 1n8i n GLY 185 N 1.13 -2.12 3.29 7.32 0.00 -1.26 -4.88 105.19 108.66 1n8i n GLY 185 Ca -0.21 -1.44 -0.15 0.00 0.00 0.00 0.00 46.02 44.21 1n8i n GLY 185 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n8i s SER 186 N -3.18 1.62 0.52 1.61 1.04 -1.26 -4.50 113.70 109.55 1n8i s SER 186 Ca 0.00 -1.16 0.27 0.00 0.48 0.00 0.00 55.95 55.53 1n8i s SER 186 Cb 0.00 0.04 1.46 0.00 0.10 0.00 0.00 66.02 67.62 1n8i s SER 186 CO 0.00 -0.49 2.08 -0.26 0.98 0.00 0.00 173.24 175.55 1n8i h PHE 187 N 2.60 0.00 -0.03 5.02 -1.00 -1.95 -2.17 116.94 119.41 1n8i h PHE 187 Ca -0.37 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.41 1n8i h PHE 187 Cb 1.21 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.77 1n8i h PHE 187 CO 0.58 0.11 0.15 0.78 -1.61 0.00 0.00 178.31 178.32 1n8i h GLY 188 N 0.75 0.00 -1.16 -1.45 0.00 -1.96 -0.59 103.07 98.66 1n8i h GLY 188 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n8i h GLY 188 CO 0.01 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.77 1n8i n ASP 189 N -3.14 2.37 -4.70 0.19 8.00 -0.82 -4.99 116.55 113.46 1n8i n ASP 189 Ca -0.02 -1.68 -0.38 0.00 0.71 0.00 0.00 54.79 53.42 1n8i n ASP 189 Cb 0.22 -0.08 0.05 0.00 -0.02 0.00 0.00 41.12 41.29 1n8i n ASP 189 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n8i n ALA 190 N 0.70 1.01 0.00 2.24 0.00 -0.23 -4.23 120.51 119.99 1n8i n ALA 190 Ca 0.09 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1n8i n ALA 190 Cb 0.36 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1n8i n ALA 190 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n8i n THR 191 N -1.53 0.00 -3.61 0.00 -2.24 0.15 -3.62 114.28 103.42 1n8i n THR 191 Ca 0.13 -0.16 -0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1n8i n THR 191 Cb 0.46 0.65 -0.01 0.00 -2.10 0.00 0.00 70.33 69.33 1n8i n THR 191 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1n8i s GLY 192 N -1.13 -0.37 -0.03 3.38 0.00 -1.24 -4.32 107.32 103.61 1n8i s GLY 192 Ca 0.00 0.97 0.02 0.00 0.00 0.00 0.00 44.72 45.71 1n8i s GLY 192 CO 0.00 0.25 -0.09 -1.36 0.00 0.00 0.00 173.10 171.90 1n8i s PHE 193 N -2.45 0.92 0.05 1.90 0.40 -1.26 -1.47 117.98 116.07 1n8i s PHE 193 Ca 0.13 -0.23 -0.05 0.00 -0.60 0.00 0.00 56.93 56.17 1n8i s PHE 193 Cb 0.03 -0.66 -0.02 0.00 0.51 0.00 0.00 43.02 42.88 1n8i s PHE 193 CO -0.04 -0.10 0.09 0.95 0.70 0.00 0.00 175.22 176.82 1n8i s THR 194 N 0.22 0.15 -0.24 0.64 -4.23 -0.75 -4.27 115.64 107.16 1n8i s THR 194 Ca -0.03 -1.27 -0.02 0.00 -1.18 0.00 0.00 61.69 59.18 1n8i s THR 194 Cb -0.09 -1.15 0.02 0.00 1.34 0.00 0.00 72.50 72.63 1n8i s THR 194 CO 0.00 -0.70 -0.07 -0.69 -0.54 0.00 0.00 174.62 172.62 1n8i s VAL 195 N -3.22 2.86 -0.05 2.29 1.01 -0.40 -0.11 120.40 122.78 1n8i s VAL 195 Ca 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1n8i s VAL 195 Cb 0.02 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 34.00 1n8i s VAL 195 CO -0.07 0.23 -0.05 -1.10 0.00 0.00 0.00 175.10 174.11 1n8i s GLN 196 N 1.33 0.98 -1.35 2.72 -0.21 0.94 -4.58 119.66 119.49 1n8i s GLN 196 Ca 0.01 -0.14 -0.06 0.00 0.02 0.00 0.00 55.36 55.18 1n8i s GLN 196 Cb -0.16 -0.97 0.02 0.00 1.00 0.00 0.00 33.01 32.90 1n8i s GLN 196 CO -0.05 -0.09 1.02 -0.25 -2.12 0.00 0.00 175.29 173.80 1n8i n ASP 197 N 4.15 -4.20 -1.43 5.90 10.43 -1.26 -0.37 116.55 129.77 1n8i n ASP 197 Ca -0.22 -0.65 -0.18 0.00 2.57 0.00 0.00 54.79 56.30 1n8i n ASP 197 Cb 0.51 -4.66 -0.08 0.00 1.84 0.00 0.00 41.12 38.73 1n8i n ASP 197 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1n8i n GLY 198 N -1.67 1.71 3.47 0.44 0.00 -1.25 -4.95 105.19 102.95 1n8i n GLY 198 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1n8i n GLY 198 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1n8i s GLN 199 N -3.51 2.15 -0.10 1.61 2.00 0.51 -4.69 119.66 117.62 1n8i s GLN 199 Ca 0.00 -0.94 -0.24 0.00 -2.00 0.00 0.00 55.36 52.19 1n8i s GLN 199 Cb 0.00 -2.23 -0.03 0.00 0.80 0.00 0.00 33.01 31.55 1n8i s GLN 199 CO 0.00 0.55 0.72 -1.17 -0.50 0.00 0.00 175.29 174.90 1n8i s LEU 200 N -1.37 4.27 -0.23 3.68 2.96 -1.26 -0.04 118.68 126.69 1n8i s LEU 200 Ca 0.15 1.15 0.02 0.00 -0.22 0.00 0.00 54.13 55.22 1n8i s LEU 200 Cb -0.11 -3.10 0.04 0.00 0.50 0.00 0.00 46.19 43.53 1n8i s LEU 200 CO 0.05 -0.19 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.06 1n8i s VAL 201 N 1.20 2.24 -0.27 1.68 1.01 0.85 -4.29 120.40 122.82 1n8i s VAL 201 Ca 0.37 -1.31 -0.13 0.00 0.00 0.00 0.00 61.98 60.91 1n8i s VAL 201 Cb -0.17 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1n8i s VAL 201 CO 0.16 0.20 0.31 -0.69 0.00 0.00 0.00 175.10 175.08 1n8i s VAL 202 N 1.20 5.22 -0.07 2.92 1.01 0.48 -1.82 120.40 129.35 1n8i s VAL 202 Ca -0.03 0.43 -0.29 0.00 0.00 0.00 0.00 61.98 62.09 1n8i s VAL 202 Cb -0.17 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1n8i s VAL 202 CO -0.08 0.19 0.95 0.00 0.00 0.00 0.00 175.10 176.17 1n8i s ALA 203 N 1.94 3.32 0.38 5.51 0.00 -0.54 -1.37 121.76 130.99 1n8i s ALA 203 Ca 0.12 0.38 0.08 0.00 0.00 0.00 0.00 51.96 52.55 1n8i s ALA 203 Cb -0.16 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 1n8i s ALA 203 CO 0.10 -0.42 0.09 -0.51 0.00 0.00 0.00 175.76 175.02 1n8i s LEU 204 N 1.54 3.04 0.05 0.00 1.43 0.66 0.29 118.68 125.69 1n8i s LEU 204 Ca 0.48 -1.07 -0.27 0.00 -1.03 0.00 0.00 54.13 52.24 1n8i s LEU 204 Cb -0.19 -1.34 -0.17 0.00 0.03 0.00 0.00 46.19 44.52 1n8i s LEU 204 CO 0.21 -0.39 1.52 1.55 0.23 0.00 0.00 176.35 179.47 1n8i h PRO 205 N 1.63 -0.36 -0.18 1.29 0.13 -1.96 -3.27 132.00 129.29 1n8i h PRO 205 Ca -0.43 0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 64.55 1n8i h PRO 205 Cb 1.25 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 1n8i h PRO 205 CO 0.70 -0.14 -0.60 0.38 -0.23 0.00 0.00 178.00 178.11 1n8i h ASP 206 N -0.51 0.69 -0.53 1.44 2.03 -1.97 -3.48 116.42 114.08 1n8i h ASP 206 Ca -0.04 -0.39 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 1n8i h ASP 206 Cb 0.38 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.68 1n8i h ASP 206 CO 0.06 1.13 0.00 2.29 -1.03 0.00 0.00 179.24 181.69 1n8i n LYS 207 N -3.95 0.00 -4.37 4.15 0.00 -1.23 -5.17 118.16 107.59 1n8i n LYS 207 Ca -0.04 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.01 1n8i n LYS 207 Cb 0.64 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.57 1n8i n LYS 207 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1n8i s SER 208 N 0.33 3.93 0.06 -5.58 0.01 -1.26 -0.25 113.70 110.95 1n8i s SER 208 Ca 0.00 -0.76 -0.12 0.00 1.31 0.00 0.00 55.95 56.37 1n8i s SER 208 Cb 0.00 -0.52 0.01 0.00 0.21 0.00 0.00 66.02 65.72 1n8i s SER 208 CO 0.00 0.08 0.27 0.28 0.41 0.00 0.00 173.24 174.28 1n8i s THR 209 N -1.96 0.10 0.00 1.44 -1.32 -0.47 -4.93 115.64 108.49 1n8i s THR 209 Ca 0.26 -0.82 0.00 0.00 -1.21 0.00 0.00 61.69 59.92 1n8i s THR 209 Cb -0.07 -1.05 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 1n8i s THR 209 CO 0.14 -0.45 0.00 0.61 -2.21 0.00 0.00 174.62 172.71 1n8i n GLY 210 N 0.36 2.99 3.82 6.08 0.00 -1.26 -0.39 105.19 116.79 1n8i n GLY 210 Ca -0.18 -2.13 -0.36 0.00 0.00 0.00 0.00 46.02 43.36 1n8i n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n8i s LEU 211 N 0.00 4.33 0.27 0.99 1.43 -1.26 -1.09 118.68 123.35 1n8i s LEU 211 Ca 0.00 1.32 -0.01 0.00 -1.03 0.00 0.00 54.13 54.40 1n8i s LEU 211 Cb 0.00 -3.52 0.45 0.00 0.03 0.00 0.00 46.19 43.15 1n8i s LEU 211 CO 0.00 0.04 1.86 0.00 0.23 0.00 0.00 176.35 178.48 1n8i h ALA 212 N 3.40 1.41 -3.34 4.21 0.00 -0.79 -3.18 119.26 120.97 1n8i h ALA 212 Ca -0.48 -0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.79 1n8i h ALA 212 Cb 1.19 -0.26 -0.41 0.00 0.00 0.00 0.00 17.79 18.32 1n8i h ALA 212 CO 0.65 0.33 -0.63 1.21 0.00 0.00 0.00 179.25 180.82 1n8i s ASN 213 N -5.80 4.35 0.62 0.00 3.84 -1.26 -4.92 114.94 111.76 1n8i s ASN 213 Ca -0.12 -3.10 0.25 0.00 0.21 0.00 0.00 52.86 50.10 1n8i s ASN 213 Cb 0.21 -1.63 1.14 0.00 -0.55 0.00 0.00 41.25 40.42 1n8i s ASN 213 CO 0.81 -0.22 1.59 -0.65 -2.79 0.00 0.00 177.10 175.85 1n8i h PRO 214 N 6.38 0.00 0.00 0.43 0.11 -1.94 0.31 132.00 137.29 1n8i h PRO 214 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1n8i h PRO 214 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1n8i h PRO 214 CO 0.69 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.89 1n8i n GLY 215 N -1.53 -1.08 0.00 -0.55 0.00 -1.26 -2.32 105.19 98.46 1n8i n GLY 215 Ca 0.10 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.29 1n8i n GLY 215 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n8i n GLN 216 N -1.83 0.28 -2.86 1.61 6.02 0.11 -4.67 117.38 116.04 1n8i n GLN 216 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.60 1n8i n GLN 216 Cb 0.18 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.90 1n8i n GLN 216 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1n8i s PHE 217 N -2.72 3.19 -0.41 1.08 5.36 -0.98 -0.46 117.98 123.04 1n8i s PHE 217 Ca 0.23 0.90 0.12 0.00 -0.96 0.00 0.00 56.93 57.23 1n8i s PHE 217 Cb 0.20 -3.35 -0.15 0.00 -0.34 0.00 0.00 43.02 39.38 1n8i s PHE 217 CO 0.48 -0.63 0.44 0.00 -1.46 0.00 0.00 175.22 174.06 1n8i n ALA 218 N 6.39 3.26 0.00 11.12 0.00 -0.28 -4.84 120.51 136.15 1n8i n ALA 218 Ca 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1n8i n ALA 218 Cb 0.48 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1n8i n ALA 218 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8i n GLY 219 N 1.43 -1.75 3.66 0.00 0.00 -0.91 -4.34 105.19 103.29 1n8i n GLY 219 Ca 0.01 -1.23 -0.05 0.00 0.00 0.00 0.00 46.02 44.74 1n8i n GLY 219 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1n8i s TYR 220 N -2.75 -0.22 0.21 1.61 -0.85 -0.81 0.37 117.35 114.91 1n8i s TYR 220 Ca 0.00 -0.03 0.11 0.00 -0.52 0.00 0.00 57.07 56.62 1n8i s TYR 220 Cb 0.00 0.61 -0.05 0.00 0.38 0.00 0.00 41.96 42.90 1n8i s TYR 220 CO 0.00 -0.75 -0.21 0.95 -1.52 0.00 0.00 175.55 174.03 1n8i s THR 221 N -3.26 2.21 0.00 -3.49 -4.23 -0.41 -1.43 115.64 105.03 1n8i s THR 221 Ca 0.09 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 1n8i s THR 221 Cb -0.01 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.72 1n8i s THR 221 CO -0.02 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1n8i n GLY 222 N -0.06 -1.66 3.75 3.99 0.00 -1.26 -0.63 105.19 109.32 1n8i n GLY 222 Ca -0.10 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 1n8i n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8i s ALA 223 N -1.12 3.39 0.51 4.61 0.00 -1.26 -4.82 121.76 123.08 1n8i s ALA 223 Ca 0.00 0.87 0.19 0.00 0.00 0.00 0.00 51.96 53.01 1n8i s ALA 223 Cb 0.00 -3.35 1.27 0.00 0.00 0.00 0.00 23.12 21.04 1n8i s ALA 223 CO 0.00 -0.21 2.07 0.00 0.00 0.00 0.00 175.76 177.62 1n8i h ALA 224 N 4.63 2.18 0.00 0.00 0.00 -1.88 0.13 119.26 124.31 1n8i h ALA 224 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1n8i h ALA 224 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1n8i h ALA 224 CO 0.71 -0.25 0.00 0.39 0.00 0.00 0.00 179.25 180.09 1n8i n GLU 225 N -4.47 0.11 -2.69 0.00 4.71 -1.26 -1.28 120.64 115.77 1n8i n GLU 225 Ca 0.03 0.29 -0.05 0.00 -0.01 0.00 0.00 57.16 57.43 1n8i n GLU 225 Cb 0.32 -1.69 0.05 0.00 -1.01 0.00 0.00 31.44 29.10 1n8i n GLU 225 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1n8i n SER 226 N -1.90 -1.80 -4.68 1.62 3.41 -0.21 -4.90 113.62 105.16 1n8i n SER 226 Ca 0.04 -1.82 -0.38 0.00 -0.26 0.00 0.00 58.87 56.45 1n8i n SER 226 Cb 0.25 0.98 0.05 0.00 -0.26 0.00 0.00 64.21 65.23 1n8i n SER 226 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1n8i n PRO 227 N 2.06 1.20 0.11 4.33 -0.02 0.27 -4.18 135.00 138.77 1n8i n PRO 227 Ca 0.08 0.46 0.06 0.00 -2.02 0.00 0.00 63.50 62.08 1n8i n PRO 227 Cb 0.66 -2.37 0.01 0.00 -0.02 0.00 0.00 33.50 31.79 1n8i n PRO 227 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1n8i h THR 228 N 0.82 0.32 -2.12 3.45 1.35 -1.14 -3.44 112.91 112.15 1n8i h THR 228 Ca -0.49 -1.53 -0.07 0.00 -0.55 0.00 0.00 66.41 63.77 1n8i h THR 228 Cb 1.34 1.93 -0.19 0.00 -1.73 0.00 0.00 68.15 69.50 1n8i h THR 228 CO 0.53 0.18 0.14 -0.94 -0.25 0.00 0.00 175.52 175.18 1n8i s SER 229 N -5.86 -0.61 -0.16 5.36 1.04 -1.23 0.33 113.70 112.57 1n8i s SER 229 Ca 0.01 0.64 0.01 0.00 0.48 0.00 0.00 55.95 57.10 1n8i s SER 229 Cb 0.08 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.72 1n8i s SER 229 CO 0.76 -0.59 -0.19 -0.69 0.98 0.00 0.00 173.24 173.51 1n8i s VAL 230 N -1.22 2.27 -0.17 5.02 1.01 -0.08 -1.29 120.40 125.94 1n8i s VAL 230 Ca -0.11 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 60.84 1n8i s VAL 230 Cb -0.01 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 1n8i s VAL 230 CO 0.09 0.53 0.27 -0.22 0.00 0.00 0.00 175.10 175.77 1n8i s LEU 231 N 1.02 4.24 0.28 3.92 2.96 0.16 -0.86 118.68 130.40 1n8i s LEU 231 Ca -0.02 0.47 0.07 0.00 -0.22 0.00 0.00 54.13 54.42 1n8i s LEU 231 Cb -0.15 -2.33 -0.06 0.00 0.50 0.00 0.00 46.19 44.15 1n8i s LEU 231 CO -0.05 0.11 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.28 1n8i s LEU 232 N 0.44 2.47 -0.02 -0.68 1.43 0.12 -1.12 118.68 121.33 1n8i s LEU 232 Ca 0.15 -1.20 -0.01 0.00 -1.03 0.00 0.00 54.13 52.04 1n8i s LEU 232 Cb -0.13 -0.63 0.01 0.00 0.03 0.00 0.00 46.19 45.47 1n8i s LEU 232 CO 0.03 -0.35 0.04 -0.51 0.23 0.00 0.00 176.35 175.79 1n8i s ILE 233 N -3.02 -0.01 -0.10 -0.59 2.07 0.39 -0.74 121.20 119.20 1n8i s ILE 233 Ca 0.30 0.05 -0.05 0.00 -1.41 0.00 0.00 60.65 59.54 1n8i s ILE 233 Cb 0.04 -0.07 0.05 0.00 0.13 0.00 0.00 42.46 42.61 1n8i s ILE 233 CO 0.12 0.02 0.22 0.21 -1.91 0.00 0.00 174.94 173.60 1n8i s ASN 234 N 0.28 -0.15 -1.60 4.50 2.47 -0.03 -4.61 114.94 115.80 1n8i s ASN 234 Ca -0.02 0.47 -0.15 0.00 0.42 0.00 0.00 52.86 53.58 1n8i s ASN 234 Cb -0.03 0.37 0.11 0.00 -1.45 0.00 0.00 41.25 40.26 1n8i s ASN 234 CO -0.01 -0.17 0.85 1.41 -3.72 0.00 0.00 177.10 175.46 1n8i n HIS 235 N 4.34 -1.98 -0.90 0.43 8.25 -1.26 -0.72 115.22 123.38 1n8i n HIS 235 Ca -0.24 0.84 0.00 0.00 -0.26 0.00 0.00 57.72 58.07 1n8i n HIS 235 Cb 0.52 -3.48 0.00 0.00 1.12 0.00 0.00 29.99 28.15 1n8i n HIS 235 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n8i n GLY 236 N -1.57 0.55 3.50 -1.41 0.00 -1.26 -4.64 105.19 100.37 1n8i n GLY 236 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1n8i n GLY 236 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n8i s LEU 237 N 0.00 2.89 0.24 0.99 1.43 0.10 -4.93 118.68 119.39 1n8i s LEU 237 Ca 0.00 -0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 52.82 1n8i s LEU 237 Cb 0.00 -1.61 -0.08 0.00 0.03 0.00 0.00 46.19 44.53 1n8i s LEU 237 CO 0.00 0.33 0.63 -1.00 0.23 0.00 0.00 176.35 176.54 1n8i s HIS 238 N -0.65 3.47 -0.08 0.29 3.76 -1.26 -0.85 115.29 119.97 1n8i s HIS 238 Ca 0.10 1.08 0.01 0.00 -0.15 0.00 0.00 55.06 56.09 1n8i s HIS 238 Cb -0.11 -2.41 0.02 0.00 1.11 0.00 0.00 32.58 31.19 1n8i s HIS 238 CO 0.01 0.25 -0.08 0.42 -0.85 0.00 0.00 174.74 174.50 1n8i s ILE 239 N -1.76 0.91 -0.21 0.60 1.01 0.08 -1.25 121.20 120.57 1n8i s ILE 239 Ca 0.47 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.86 1n8i s ILE 239 Cb -0.12 -0.91 0.04 0.00 0.01 0.00 0.00 42.46 41.47 1n8i s ILE 239 CO 0.20 0.33 -0.16 -0.70 0.00 0.00 0.00 174.94 174.60 1n8i s GLU 240 N 1.26 2.70 -0.22 2.79 2.12 0.10 0.16 118.70 127.62 1n8i s GLU 240 Ca -0.04 -1.03 -0.23 0.00 0.36 0.00 0.00 54.97 54.03 1n8i s GLU 240 Cb -0.14 -2.70 -0.02 0.00 0.26 0.00 0.00 34.13 31.54 1n8i s GLU 240 CO -0.03 -0.35 0.73 0.42 -0.54 0.00 0.00 175.26 175.49 1n8i s ILE 241 N 1.22 4.93 -0.08 -3.70 1.01 -0.04 -0.15 121.20 124.39 1n8i s ILE 241 Ca -0.00 1.38 -0.17 0.00 0.00 0.00 0.00 60.65 61.86 1n8i s ILE 241 Cb -0.16 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 1n8i s ILE 241 CO -0.10 0.01 0.44 -0.76 0.00 0.00 0.00 174.94 174.54 1n8i s LEU 242 N 2.40 4.34 -0.17 2.97 1.43 0.13 -0.91 118.68 128.88 1n8i s LEU 242 Ca 0.32 0.85 -0.00 0.00 -1.03 0.00 0.00 54.13 54.27 1n8i s LEU 242 Cb -0.16 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.42 1n8i s LEU 242 CO 0.09 0.12 -0.15 -0.63 0.23 0.00 0.00 176.35 176.01 1n8i s ILE 243 N 0.04 2.62 -0.34 -0.59 1.01 0.15 -0.30 121.20 123.79 1n8i s ILE 243 Ca 0.24 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 1n8i s ILE 243 Cb -0.16 -2.11 0.19 0.00 0.01 0.00 0.00 42.46 40.39 1n8i s ILE 243 CO 0.11 0.51 0.80 -0.62 0.00 0.00 0.00 174.94 175.74 1n8i s ASP 244 N 1.00 -1.05 0.06 3.58 2.15 0.26 -4.71 116.67 117.96 1n8i s ASP 244 Ca -0.02 -0.21 0.03 0.00 0.43 0.00 0.00 52.55 52.78 1n8i s ASP 244 Cb -0.15 1.48 0.17 0.00 -0.30 0.00 0.00 42.92 44.13 1n8i s ASP 244 CO -0.03 -0.15 1.03 -2.65 -0.17 0.00 0.00 175.17 173.20 1n8i n PRO 245 N 4.66 0.02 0.00 4.34 -0.02 -1.20 -1.48 135.00 141.32 1n8i n PRO 245 Ca 0.08 0.46 0.10 0.00 -2.02 0.00 0.00 63.50 62.12 1n8i n PRO 245 Cb 0.58 -1.65 -0.11 0.00 -0.02 0.00 0.00 33.50 32.30 1n8i n PRO 245 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1n8i n GLU 246 N -1.56 0.18 -1.01 -0.52 -0.58 -1.26 -2.71 120.64 113.18 1n8i n GLU 246 Ca -0.00 -0.10 -0.30 0.00 -0.42 0.00 0.00 57.16 56.34 1n8i n GLU 246 Cb 0.08 -1.49 0.17 0.00 -0.57 0.00 0.00 31.44 29.63 1n8i n GLU 246 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1n8i s SER 247 N -2.93 2.86 0.11 1.62 1.04 -0.55 -4.70 113.70 111.16 1n8i s SER 247 Ca 0.09 1.56 -0.25 0.00 0.48 0.00 0.00 55.95 57.83 1n8i s SER 247 Cb 0.16 -2.22 -0.09 0.00 0.10 0.00 0.00 66.02 63.97 1n8i s SER 247 CO 0.83 -3.03 1.68 -0.61 0.98 0.00 0.00 173.24 173.09 1n8i h GLN 248 N -1.82 -0.27 -0.05 4.02 5.75 -1.93 -0.46 115.11 120.35 1n8i h GLN 248 Ca -0.51 0.02 -0.21 0.00 -0.15 0.00 0.00 58.65 57.79 1n8i h GLN 248 Cb 1.29 0.06 0.01 0.00 1.07 0.00 0.00 27.48 29.92 1n8i h GLN 248 CO 0.52 -0.18 -0.79 0.28 -2.65 0.00 0.00 178.83 176.01 1n8i h VAL 249 N -0.28 1.33 -0.65 2.39 2.07 -1.90 -3.32 116.25 115.89 1n8i h VAL 249 Ca 0.03 -2.08 0.08 0.00 0.82 0.00 0.00 66.70 65.55 1n8i h VAL 249 Cb 0.31 2.32 -0.06 0.00 -1.52 0.00 0.00 31.29 32.34 1n8i h VAL 249 CO -0.11 0.63 0.33 1.23 0.02 0.00 0.00 177.57 179.67 1n8i h GLY 250 N 0.26 0.96 1.20 2.17 0.00 -1.56 -0.98 103.07 105.12 1n8i h GLY 250 Ca -0.09 -0.21 0.08 0.00 0.00 0.00 0.00 47.33 47.11 1n8i h GLY 250 CO 0.16 0.09 0.32 -0.84 0.00 0.00 0.00 176.54 176.26 1n8i h THR 251 N 0.59 0.40 0.00 4.70 2.02 -0.87 -0.25 112.91 119.49 1n8i h THR 251 Ca 0.31 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.49 1n8i h THR 251 Cb 0.28 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1n8i h THR 251 CO -0.23 0.00 -0.96 0.35 0.37 0.00 0.00 175.52 175.05 1n8i n THR 252 N -3.71 0.06 -3.18 3.16 -2.24 -0.40 -4.96 114.28 103.01 1n8i n THR 252 Ca 0.04 -0.12 -0.35 0.00 -2.27 0.00 0.00 64.05 61.36 1n8i n THR 252 Cb 0.46 0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 69.12 1n8i n THR 252 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n8i s ASP 253 N -3.42 6.92 0.49 3.42 -1.08 -0.11 -4.99 116.67 117.91 1n8i s ASP 253 Ca 0.06 1.29 0.19 0.00 -0.52 0.00 0.00 52.55 53.57 1n8i s ASP 253 Cb 0.16 -2.37 1.22 0.00 -1.46 0.00 0.00 42.92 40.47 1n8i s ASP 253 CO 0.81 -0.01 2.06 0.03 0.52 0.00 0.00 175.17 178.58 1n8i h ARG 254 N 3.15 0.00 -0.24 4.34 3.08 -1.85 -2.77 114.38 120.09 1n8i h ARG 254 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1n8i h ARG 254 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1n8i h ARG 254 CO 0.66 0.12 0.00 0.00 -1.07 0.00 0.00 179.97 179.68 1n8i n ALA 255 N -2.44 2.15 -1.01 0.04 0.00 -1.24 -4.39 120.51 113.62 1n8i n ALA 255 Ca -0.02 -1.07 -0.00 0.00 0.00 0.00 0.00 53.44 52.34 1n8i n ALA 255 Cb 0.20 -0.31 -0.00 0.00 0.00 0.00 0.00 19.45 19.34 1n8i n ALA 255 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8i n GLY 256 N 0.25 0.46 3.69 0.00 0.00 -1.04 -4.58 105.19 103.97 1n8i n GLY 256 Ca 0.08 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1n8i n GLY 256 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n8i s VAL 257 N -1.91 2.66 -0.13 1.61 1.01 -1.26 -0.58 120.40 121.80 1n8i s VAL 257 Ca 0.00 0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.27 1n8i s VAL 257 Cb 0.00 -3.13 -0.23 0.00 0.00 0.00 0.00 36.38 33.01 1n8i s VAL 257 CO 0.00 0.00 0.34 1.17 0.00 0.00 0.00 175.10 176.61 1n8i n LYS 258 N 5.44 0.68 -3.71 2.72 4.81 0.59 -3.48 118.16 125.21 1n8i n LYS 258 Ca 0.17 0.19 -0.02 0.00 -0.87 0.00 0.00 58.31 57.78 1n8i n LYS 258 Cb 0.39 -1.67 -0.01 0.00 0.02 0.00 0.00 35.03 33.75 1n8i n LYS 258 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1n8i s ASP 259 N -6.18 -0.14 -0.23 3.14 -1.08 -1.20 -4.60 116.67 106.38 1n8i s ASP 259 Ca -0.13 -0.31 -0.01 0.00 -0.52 0.00 0.00 52.55 51.58 1n8i s ASP 259 Cb 0.07 0.37 0.07 0.00 -1.46 0.00 0.00 42.92 41.97 1n8i s ASP 259 CO 0.79 -0.69 0.01 -0.69 0.52 0.00 0.00 175.17 175.11 1n8i s VAL 260 N -2.99 0.95 -0.10 1.11 1.01 -1.26 -0.69 120.40 118.43 1n8i s VAL 260 Ca 0.13 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 1n8i s VAL 260 Cb 0.01 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 1n8i s VAL 260 CO 0.00 -0.24 0.34 -0.63 0.00 0.00 0.00 175.10 174.57 1n8i s ILE 261 N 1.65 5.23 -0.06 2.22 -1.09 0.79 -1.20 121.20 128.73 1n8i s ILE 261 Ca -0.01 0.66 0.03 0.00 -2.23 0.00 0.00 60.65 59.09 1n8i s ILE 261 Cb -0.18 -3.66 -0.02 0.00 -1.58 0.00 0.00 42.46 37.02 1n8i s ILE 261 CO -0.10 0.46 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.18 1n8i s LEU 262 N -0.10 2.79 -0.15 2.97 1.43 -0.31 0.03 118.68 125.34 1n8i s LEU 262 Ca 0.20 -0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 52.81 1n8i s LEU 262 Cb -0.14 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1n8i s LEU 262 CO 0.07 0.32 1.56 -0.70 0.23 0.00 0.00 176.35 177.84 1n8i s GLU 263 N -0.58 4.02 0.00 1.70 2.12 -0.38 -1.80 118.70 123.78 1n8i s GLU 263 Ca 0.08 1.85 0.00 0.00 0.36 0.00 0.00 54.97 57.26 1n8i s GLU 263 Cb -0.11 -3.97 0.00 0.00 0.26 0.00 0.00 34.13 30.31 1n8i s GLU 263 CO 0.01 -1.02 0.00 0.43 -0.54 0.00 0.00 175.26 174.14 1n8i n SER 264 N 7.62 0.00 -4.54 -1.70 7.64 0.12 -4.77 113.62 118.00 1n8i n SER 264 Ca 0.17 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.64 1n8i n SER 264 Cb 0.44 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.58 1n8i n SER 264 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n8i s ALA 265 N -3.31 2.89 0.24 -0.43 0.00 -0.64 -3.72 121.76 116.80 1n8i s ALA 265 Ca 0.00 -2.41 -0.05 0.00 0.00 0.00 0.00 51.96 49.50 1n8i s ALA 265 Cb 0.00 -4.43 0.26 0.00 0.00 0.00 0.00 23.12 18.95 1n8i s ALA 265 CO 0.00 -3.46 1.78 0.82 0.00 0.00 0.00 175.76 174.90 1n8i h ILE 266 N 6.52 1.25 -3.96 0.00 1.08 -1.83 -3.29 117.51 117.27 1n8i h ILE 266 Ca 0.20 -0.87 -0.24 0.00 -0.39 0.00 0.00 64.86 63.57 1n8i h ILE 266 Cb 1.01 0.54 -0.20 0.00 -3.07 0.00 0.00 36.82 35.10 1n8i h ILE 266 CO 1.36 0.34 -0.72 0.42 -0.69 0.00 0.00 178.15 178.86 1n8i s THR 267 N -5.32 0.45 0.03 -0.27 -4.23 -1.24 -1.60 115.64 103.45 1n8i s THR 267 Ca -0.11 -1.20 0.03 0.00 -1.18 0.00 0.00 61.69 59.23 1n8i s THR 267 Cb 0.15 -0.72 -0.02 0.00 1.34 0.00 0.00 72.50 73.25 1n8i s THR 267 CO 0.82 -0.51 -0.09 -0.89 -0.54 0.00 0.00 174.62 173.42 1n8i s THR 268 N -1.83 0.67 -0.36 3.99 2.01 -0.44 -1.81 115.64 117.86 1n8i s THR 268 Ca -0.07 -0.77 -0.08 0.00 0.31 0.00 0.00 61.69 61.07 1n8i s THR 268 Cb -0.07 -0.64 0.04 0.00 0.01 0.00 0.00 72.50 71.84 1n8i s THR 268 CO -0.01 -0.10 0.16 -0.63 -0.69 0.00 0.00 174.62 173.35 1n8i s ILE 269 N -0.81 4.06 -0.38 1.82 1.01 0.18 -0.31 121.20 126.77 1n8i s ILE 269 Ca -0.03 -1.12 -0.29 0.00 0.00 0.00 0.00 60.65 59.22 1n8i s ILE 269 Cb -0.07 -3.33 0.02 0.00 0.01 0.00 0.00 42.46 39.09 1n8i s ILE 269 CO 0.00 -0.26 1.14 -0.04 0.00 0.00 0.00 174.94 175.79 1n8i s MET 270 N 1.44 3.89 -0.18 2.79 -1.94 -0.41 -1.68 119.30 123.22 1n8i s MET 270 Ca 0.00 0.89 -0.14 0.00 -1.71 0.00 0.00 55.69 54.73 1n8i s MET 270 Cb -0.20 -3.83 -0.04 0.00 2.01 0.00 0.00 34.83 32.76 1n8i s MET 270 CO 0.04 -1.15 0.32 0.34 -0.01 0.00 0.00 175.02 174.56 1n8i s ASP 271 N 2.21 6.40 0.00 3.03 2.15 0.03 -0.83 116.67 129.66 1n8i s ASP 271 Ca 0.48 0.47 0.15 0.00 0.43 0.00 0.00 52.55 54.09 1n8i s ASP 271 Cb -0.11 -2.19 -0.11 0.00 -0.30 0.00 0.00 42.92 40.21 1n8i s ASP 271 CO 0.23 0.03 0.70 0.49 -0.17 0.00 0.00 175.17 176.46 1n8i n PHE 272 N 3.97 0.00 0.00 -5.34 3.01 -0.58 -1.37 117.46 117.15 1n8i n PHE 272 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1n8i n PHE 272 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 1n8i n PHE 272 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1n8i n GLU 273 N -0.97 0.00 0.28 -1.08 2.13 -1.22 -4.73 120.64 115.04 1n8i n GLU 273 Ca 0.04 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.96 1n8i n GLU 273 Cb 0.26 0.00 0.53 0.00 0.27 0.00 0.00 31.44 32.50 1n8i n GLU 273 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1n8i h ASP 274 N 0.00 0.00 -0.15 4.31 3.45 -1.94 -2.13 116.42 119.96 1n8i h ASP 274 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1n8i h ASP 274 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1n8i h ASP 274 CO 0.00 0.00 0.00 -1.54 -1.57 0.00 0.00 179.24 176.13 1n8i n SER 275 N -2.54 3.13 -4.25 6.45 3.41 -1.26 -2.56 113.62 116.00 1n8i n SER 275 Ca -0.01 -1.99 -0.16 0.00 -0.26 0.00 0.00 58.87 56.44 1n8i n SER 275 Cb 0.47 -0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.24 1n8i n SER 275 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1n8i s VAL 276 N -1.83 1.27 -0.32 -3.33 -7.23 -0.80 -2.97 120.40 105.18 1n8i s VAL 276 Ca 0.32 -1.88 -0.02 0.00 -1.81 0.00 0.00 61.98 58.59 1n8i s VAL 276 Cb 0.21 -1.67 0.06 0.00 0.56 0.00 0.00 36.38 35.54 1n8i s VAL 276 CO 0.31 -0.57 0.04 0.00 -0.31 0.00 0.00 175.10 174.57 1n8i s ALA 277 N -2.67 2.88 -0.25 1.32 0.00 -1.26 -4.62 121.76 117.17 1n8i s ALA 277 Ca 0.13 -1.92 -0.03 0.00 0.00 0.00 0.00 51.96 50.14 1n8i s ALA 277 Cb -0.02 -2.03 0.08 0.00 0.00 0.00 0.00 23.12 21.15 1n8i s ALA 277 CO 0.02 -1.38 0.09 0.00 0.00 0.00 0.00 175.76 174.49 1n8i s ALA 278 N 1.23 0.94 -1.14 0.00 0.00 -1.26 -4.86 121.76 116.66 1n8i s ALA 278 Ca -0.02 -1.01 0.10 0.00 0.00 0.00 0.00 51.96 51.03 1n8i s ALA 278 Cb -0.20 -1.33 0.12 0.00 0.00 0.00 0.00 23.12 21.70 1n8i s ALA 278 CO -0.02 -1.44 0.89 1.33 0.00 0.00 0.00 175.76 176.53 1n8i n VAL 279 N 5.09 0.20 -3.94 0.00 0.24 -1.26 -4.87 118.33 113.80 1n8i n VAL 279 Ca -0.06 -0.60 -0.11 0.00 -2.04 0.00 0.00 64.34 61.53 1n8i n VAL 279 Cb 0.45 1.06 -0.01 0.00 -1.47 0.00 0.00 33.84 33.86 1n8i n VAL 279 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1n8i s ASP 280 N -0.85 0.30 0.24 -1.34 1.47 -1.26 -4.64 116.67 110.59 1n8i s ASP 280 Ca 0.13 -1.20 -0.05 0.00 1.18 0.00 0.00 52.55 52.62 1n8i s ASP 280 Cb 0.09 0.74 0.37 0.00 -0.34 0.00 0.00 42.92 43.78 1n8i s ASP 280 CO 0.13 -1.45 1.83 0.00 0.68 0.00 0.00 175.17 176.36 1n8i h ALA 281 N 2.07 1.19 -0.62 2.11 0.00 -1.88 -1.05 119.26 121.08 1n8i h ALA 281 Ca -0.29 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.68 1n8i h ALA 281 Cb 1.25 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1n8i h ALA 281 CO 0.38 0.20 0.34 0.00 0.00 0.00 0.00 179.25 180.16 1n8i h ALA 282 N 1.43 0.81 -0.23 0.00 0.00 -1.97 0.58 119.26 119.88 1n8i h ALA 282 Ca 0.39 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.23 1n8i h ALA 282 Cb 0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1n8i h ALA 282 CO -0.21 0.02 -0.19 -0.44 0.00 0.00 0.00 179.25 178.43 1n8i h ASP 283 N 0.64 0.57 -0.86 0.00 3.32 -1.74 -2.69 116.42 115.65 1n8i h ASP 283 Ca 0.27 -0.46 0.02 0.00 0.02 0.00 0.00 57.03 56.89 1n8i h ASP 283 Cb 0.15 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 1n8i h ASP 283 CO -0.16 0.90 0.56 0.11 -1.72 0.00 0.00 179.24 178.93 1n8i h LYS 284 N 0.23 1.08 -0.70 3.56 1.79 -0.90 -2.35 116.57 119.28 1n8i h LYS 284 Ca 0.04 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 1n8i h LYS 284 Cb 0.73 -0.24 -0.03 0.00 -1.58 0.00 0.00 32.23 31.10 1n8i h LYS 284 CO 0.05 0.71 0.37 0.28 -1.08 0.00 0.00 179.45 179.78 1n8i h VAL 285 N 1.11 1.22 -0.93 0.50 2.07 -0.85 0.34 116.25 119.71 1n8i h VAL 285 Ca 0.33 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.30 1n8i h VAL 285 Cb -0.05 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 29.99 1n8i h VAL 285 CO -0.10 0.25 0.60 -0.07 0.02 0.00 0.00 177.57 178.28 1n8i h LEU 286 N 0.97 1.00 -0.05 2.57 3.38 -1.10 0.10 115.31 122.19 1n8i h LEU 286 Ca 0.25 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1n8i h LEU 286 Cb 0.07 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1n8i h LEU 286 CO -0.04 0.67 -0.04 1.23 0.09 0.00 0.00 178.44 180.36 1n8i h GLY 287 N 1.16 0.12 0.90 0.83 0.00 -0.84 -2.79 103.07 102.45 1n8i h GLY 287 Ca 0.38 -0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.63 1n8i h GLY 287 CO -0.13 0.11 0.65 -0.97 0.00 0.00 0.00 176.54 176.20 1n8i h TYR 288 N -0.33 1.22 -0.63 5.60 0.05 -0.04 -1.25 116.97 121.59 1n8i h TYR 288 Ca 0.01 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 1n8i h TYR 288 Cb 0.53 -0.41 -0.03 0.00 1.01 0.00 0.00 36.73 37.83 1n8i h TYR 288 CO 0.09 0.71 0.15 -0.09 -1.05 0.00 0.00 178.16 177.97 1n8i h ARG 289 N 1.26 0.98 -0.43 4.88 2.43 -0.81 0.16 114.38 122.85 1n8i h ARG 289 Ca 0.40 -0.21 -0.15 0.00 -0.81 0.00 0.00 59.98 59.20 1n8i h ARG 289 Cb -0.00 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1n8i h ARG 289 CO -0.12 0.87 -0.31 -0.91 -1.51 0.00 0.00 179.97 177.99 1n8i h ASN 290 N 0.94 1.01 -0.69 -3.80 2.35 -1.14 -0.06 115.58 114.19 1n8i h ASN 290 Ca 0.20 -0.43 -0.04 0.00 -0.55 0.00 0.00 56.30 55.49 1n8i h ASN 290 Cb 0.33 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1n8i h ASN 290 CO -0.00 1.23 0.30 -0.25 -1.65 0.00 0.00 177.43 177.06 1n8i h TRP 291 N 0.81 1.04 -0.32 1.19 -0.00 -0.84 -0.97 115.95 116.87 1n8i h TRP 291 Ca 0.08 -0.06 -0.05 0.00 -0.00 0.00 0.00 58.89 58.86 1n8i h TRP 291 Cb 0.89 -0.32 -0.01 0.00 -0.00 0.00 0.00 29.16 29.72 1n8i h TRP 291 CO 0.06 0.78 -0.01 1.25 -0.00 0.00 0.00 178.44 180.52 1n8i h LEU 292 N 1.02 0.55 -1.27 0.65 5.85 -0.37 -2.24 115.31 119.50 1n8i h LEU 292 Ca 0.24 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1n8i h LEU 292 Cb 0.17 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1n8i h LEU 292 CO -0.02 0.73 0.24 1.23 -0.34 0.00 0.00 178.44 180.28 1n8i h GLY 293 N 0.36 0.80 0.82 3.75 0.00 -0.59 0.08 103.07 108.29 1n8i h GLY 293 Ca 0.09 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1n8i h GLY 293 CO 0.02 0.36 0.02 1.41 0.00 0.00 0.00 176.54 178.35 1n8i h LEU 294 N 0.75 0.28 -0.89 3.11 3.38 -1.00 0.98 115.31 121.93 1n8i h LEU 294 Ca 0.19 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1n8i h LEU 294 Cb 0.10 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1n8i h LEU 294 CO -0.02 0.48 -0.35 0.78 0.09 0.00 0.00 178.44 179.42 1n8i h ASN 295 N 0.07 0.40 1.15 -0.43 2.35 -1.07 -2.34 115.58 115.71 1n8i h ASN 295 Ca 0.05 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1n8i h ASN 295 Cb 0.33 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1n8i h ASN 295 CO 0.00 0.73 -0.15 0.29 -1.65 0.00 0.00 177.43 176.65 1n8i n LYS 296 N -4.06 0.17 -0.99 0.81 5.02 -0.01 -3.27 118.16 115.83 1n8i n LYS 296 Ca -0.01 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1n8i n LYS 296 Cb 0.46 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1n8i n LYS 296 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n8i n GLY 297 N 1.38 0.42 0.91 0.72 0.00 0.24 -4.26 105.19 104.61 1n8i n GLY 297 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.15 1n8i n GLY 297 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n8i n ASP 298 N -0.19 3.59 -4.74 1.61 3.85 -0.59 -4.74 116.55 115.35 1n8i n ASP 298 Ca 0.00 -2.39 -0.41 0.00 -0.71 0.00 0.00 54.79 51.28 1n8i n ASP 298 Cb 0.09 -0.40 -0.03 0.00 -1.35 0.00 0.00 41.12 39.44 1n8i n ASP 298 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 1n8i s LEU 299 N -1.70 4.39 -0.11 -2.12 2.96 -0.95 -5.00 118.68 116.15 1n8i s LEU 299 Ca 0.35 2.52 -0.05 0.00 -0.22 0.00 0.00 54.13 56.73 1n8i s LEU 299 Cb 0.23 -3.61 0.05 0.00 0.50 0.00 0.00 46.19 43.36 1n8i s LEU 299 CO 0.16 -0.64 0.24 0.00 -1.32 0.00 0.00 176.35 174.78 1n8i s ALA 300 N 0.29 -0.52 -0.03 5.97 0.00 -1.26 -4.18 121.76 122.04 1n8i s ALA 300 Ca 0.60 0.94 0.02 0.00 0.00 0.00 0.00 51.96 53.52 1n8i s ALA 300 Cb -0.39 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 1n8i s ALA 300 CO 0.39 -0.31 -0.00 0.00 0.00 0.00 0.00 175.76 175.84 1n8i n ALA 301 N 4.52 1.93 -0.46 0.00 0.00 -1.26 -5.04 120.51 120.20 1n8i n ALA 301 Ca -0.20 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1n8i n ALA 301 Cb 0.52 0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.22 1n8i n ALA 301 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1n8i n ARG 312 N -2.22 0.00 -4.38 0.00 1.85 -1.26 -5.00 116.66 105.65 1n8i n ARG 312 Ca -0.05 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.59 1n8i n ARG 312 Cb 0.58 -0.46 -0.09 0.00 -1.05 0.00 0.00 32.46 31.44 1n8i n ARG 312 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1n8i s VAL 313 N -4.44 0.38 0.21 8.89 -7.23 -1.26 -5.02 120.40 111.92 1n8i s VAL 313 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 1n8i s VAL 313 Cb 0.00 -2.47 -0.08 0.00 0.56 0.00 0.00 36.38 34.39 1n8i s VAL 313 CO 0.00 0.00 1.12 -0.76 -0.31 0.00 0.00 175.10 175.15 1n8i s LEU 314 N -3.44 4.50 0.66 1.32 1.43 -1.26 -4.98 118.68 116.91 1n8i s LEU 314 Ca 0.33 2.16 -0.15 0.00 -1.03 0.00 0.00 54.13 55.44 1n8i s LEU 314 Cb 0.04 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.65 1n8i s LEU 314 CO 0.18 -0.22 1.10 0.20 0.23 0.00 0.00 176.35 177.84 1n8i s ASN 315 N -0.28 5.14 0.67 2.29 0.01 -1.26 -5.04 114.94 116.47 1n8i s ASN 315 Ca 0.49 1.97 -0.07 0.00 -0.71 0.00 0.00 52.86 54.54 1n8i s ASN 315 Cb -0.31 -2.55 0.04 0.00 0.41 0.00 0.00 41.25 38.85 1n8i s ASN 315 CO 0.37 -1.60 0.99 -0.13 -1.51 0.00 0.00 177.10 175.22 1n8i s ARG 316 N -4.14 2.46 0.74 -0.60 1.81 -1.26 -4.73 118.95 113.23 1n8i s ARG 316 Ca 0.66 -0.11 -0.11 0.00 -1.72 0.00 0.00 55.73 54.45 1n8i s ARG 316 Cb -0.20 -2.18 0.04 0.00 -0.45 0.00 0.00 34.95 32.16 1n8i s ARG 316 CO 0.42 -1.08 1.09 -0.51 -0.68 0.00 0.00 175.30 174.54 1n8i s ASP 317 N -4.44 4.72 -0.10 0.23 1.01 -1.26 -4.19 116.67 112.63 1n8i s ASP 317 Ca 0.58 1.84 -0.15 0.00 0.71 0.00 0.00 52.55 55.53 1n8i s ASP 317 Cb -0.11 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 1n8i s ASP 317 CO 0.46 -1.89 0.37 -0.13 0.21 0.00 0.00 175.17 174.18 1n8i s ARG 318 N -4.75 4.15 -0.16 8.23 0.52 0.07 -4.81 118.95 122.20 1n8i s ARG 318 Ca 0.62 0.27 -0.08 0.00 -0.52 0.00 0.00 55.73 56.02 1n8i s ARG 318 Cb -0.17 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 31.89 1n8i s ARG 318 CO 0.53 0.37 0.12 -0.80 0.02 0.00 0.00 175.30 175.53 1n8i s ASN 319 N 0.01 6.17 0.15 0.23 0.01 -1.26 -0.73 114.94 119.53 1n8i s ASN 319 Ca 0.21 0.32 -0.03 0.00 -0.71 0.00 0.00 52.86 52.65 1n8i s ASN 319 Cb -0.15 -2.03 -0.03 0.00 0.41 0.00 0.00 41.25 39.45 1n8i s ASN 319 CO 0.08 0.29 0.13 -0.31 -1.51 0.00 0.00 177.10 175.78 1n8i s TYR 320 N -0.34 0.80 -0.16 2.20 1.51 -0.36 -4.90 117.35 116.11 1n8i s TYR 320 Ca 0.11 -1.15 -0.03 0.00 -1.01 0.00 0.00 57.07 54.99 1n8i s TYR 320 Cb -0.12 -0.39 -0.02 0.00 -0.11 0.00 0.00 41.96 41.32 1n8i s TYR 320 CO 0.01 -0.59 -0.05 0.99 -1.11 0.00 0.00 175.55 174.80 1n8i s THR 321 N -4.05 3.68 0.70 -0.71 2.01 -0.51 -1.22 115.64 115.54 1n8i s THR 321 Ca 0.25 -0.43 -0.15 0.00 0.31 0.00 0.00 61.69 61.68 1n8i s THR 321 Cb 0.06 -2.62 0.02 0.00 0.01 0.00 0.00 72.50 69.98 1n8i s THR 321 CO 0.03 0.48 1.17 0.00 -0.69 0.00 0.00 174.62 175.61 1n8i s ALA 322 N 0.56 2.25 0.59 7.40 0.00 0.33 -1.93 121.76 130.96 1n8i s ALA 322 Ca -0.04 0.75 0.28 0.00 0.00 0.00 0.00 51.96 52.96 1n8i s ALA 322 Cb -0.15 -3.41 1.60 0.00 0.00 0.00 0.00 23.12 21.17 1n8i s ALA 322 CO 0.03 -1.64 2.05 -1.00 0.00 0.00 0.00 175.76 175.20 1n8i h PRO 323 N -0.16 0.00 0.00 0.00 0.13 -1.88 0.32 132.00 130.41 1n8i h PRO 323 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1n8i h PRO 323 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1n8i h PRO 323 CO 0.51 0.00 -0.39 0.78 -0.23 0.00 0.00 178.00 178.67 1n8i h GLY 324 N 0.00 0.00 0.00 1.56 0.00 -1.89 -3.31 103.07 99.43 1n8i h GLY 324 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1n8i h GLY 324 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1n8i n GLY 325 N 1.27 2.25 3.73 4.60 0.00 0.10 -4.96 105.19 112.18 1n8i n GLY 325 Ca 0.04 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 1n8i n GLY 325 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n8i s GLY 326 N -0.29 1.72 -0.07 -0.02 0.00 -1.26 -4.51 107.32 102.89 1n8i s GLY 326 Ca 0.00 0.43 -0.10 0.00 0.00 0.00 0.00 44.72 45.05 1n8i s GLY 326 CO 0.00 0.80 0.24 1.20 0.00 0.00 0.00 173.10 175.35 1n8i s GLN 327 N -4.75 3.62 0.15 2.90 -1.52 -1.26 0.12 119.66 118.93 1n8i s GLN 327 Ca 0.64 0.07 -0.10 0.00 -1.95 0.00 0.00 55.36 54.03 1n8i s GLN 327 Cb -0.20 -3.20 -0.00 0.00 -0.22 0.00 0.00 33.01 29.39 1n8i s GLN 327 CO 0.56 0.74 0.29 -0.59 -0.25 0.00 0.00 175.29 176.04 1n8i s PHE 328 N -1.06 0.30 0.06 0.91 -0.12 -0.36 -4.91 117.98 112.80 1n8i s PHE 328 Ca 0.19 -0.67 0.06 0.00 -0.05 0.00 0.00 56.93 56.46 1n8i s PHE 328 Cb -0.14 -0.01 -0.03 0.00 -0.63 0.00 0.00 43.02 42.21 1n8i s PHE 328 CO 0.08 -0.70 -0.18 0.99 -0.05 0.00 0.00 175.22 175.36 1n8i s THR 329 N -3.94 1.41 0.03 -4.49 2.01 -1.26 -1.22 115.64 108.18 1n8i s THR 329 Ca 0.14 -1.22 0.09 0.00 0.31 0.00 0.00 61.69 61.01 1n8i s THR 329 Cb 0.03 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 1n8i s THR 329 CO -0.02 0.02 -0.26 -0.76 -0.69 0.00 0.00 174.62 172.91 1n8i s LEU 330 N -1.40 2.14 0.18 4.42 1.43 0.09 -4.97 118.68 120.57 1n8i s LEU 330 Ca 0.04 -0.56 -0.33 0.00 -1.03 0.00 0.00 54.13 52.25 1n8i s LEU 330 Cb -0.09 -1.26 -0.14 0.00 0.03 0.00 0.00 46.19 44.74 1n8i s LEU 330 CO 0.02 0.26 1.57 -0.81 0.23 0.00 0.00 176.35 177.63 1n8i n PRO 331 N 1.93 2.22 -0.17 1.29 -0.04 -1.26 -0.75 135.00 138.23 1n8i n PRO 331 Ca -0.17 0.80 0.10 0.00 -0.04 0.00 0.00 63.50 64.20 1n8i n PRO 331 Cb 0.52 -2.57 0.28 0.00 -0.04 0.00 0.00 33.50 31.69 1n8i n PRO 331 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n8i n GLY 332 N 3.29 1.09 3.24 0.55 0.00 -1.26 -4.67 105.19 107.42 1n8i n GLY 332 Ca 0.16 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.45 1n8i n GLY 332 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n8i s ARG 333 N -1.56 1.01 0.25 1.61 0.52 -1.26 -4.61 118.95 114.91 1n8i s ARG 333 Ca 0.35 -1.29 -0.30 0.00 -0.52 0.00 0.00 55.73 53.97 1n8i s ARG 333 Cb 0.19 -0.77 -0.09 0.00 0.52 0.00 0.00 34.95 34.80 1n8i s ARG 333 CO 0.27 0.13 1.07 0.45 0.02 0.00 0.00 175.30 177.24 1n8i s SER 334 N -2.67 7.34 0.02 0.23 0.15 0.39 -4.83 113.70 114.33 1n8i s SER 334 Ca 0.11 2.17 -0.30 0.00 0.70 0.00 0.00 55.95 58.63 1n8i s SER 334 Cb -0.02 -2.62 -0.06 0.00 -1.71 0.00 0.00 66.02 61.60 1n8i s SER 334 CO 0.02 -0.10 1.45 -0.22 1.20 0.00 0.00 173.24 175.59 1n8i s LEU 335 N -1.17 4.33 -0.05 3.45 2.96 -0.63 -4.70 118.68 122.87 1n8i s LEU 335 Ca 0.45 2.20 -0.16 0.00 -0.22 0.00 0.00 54.13 56.40 1n8i s LEU 335 Cb -0.30 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.77 1n8i s LEU 335 CO 0.38 -0.75 0.42 -0.04 -1.32 0.00 0.00 176.35 175.04 1n8i s MET 336 N 2.42 4.10 0.38 1.98 -1.94 -1.26 -1.33 119.30 123.65 1n8i s MET 336 Ca 0.66 0.40 0.08 0.00 -1.71 0.00 0.00 55.69 55.12 1n8i s MET 336 Cb -0.33 -3.31 -0.04 0.00 2.01 0.00 0.00 34.83 33.16 1n8i s MET 336 CO 0.28 0.47 0.22 -0.06 -0.01 0.00 0.00 175.02 175.92 1n8i s PHE 337 N -0.38 2.69 -0.05 -0.03 0.40 0.58 -4.59 117.98 116.59 1n8i s PHE 337 Ca 0.24 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 56.10 1n8i s PHE 337 Cb -0.16 -1.87 0.02 0.00 0.51 0.00 0.00 43.02 41.52 1n8i s PHE 337 CO 0.12 0.18 -0.02 0.54 0.70 0.00 0.00 175.22 176.73 1n8i s VAL 338 N -2.49 0.41 -0.41 -0.44 0.11 -0.34 -1.29 120.40 115.96 1n8i s VAL 338 Ca 0.41 -0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 59.28 1n8i s VAL 338 Cb -0.01 -0.49 0.02 0.00 -1.53 0.00 0.00 36.38 34.37 1n8i s VAL 338 CO 0.24 0.22 0.48 -0.60 -3.33 0.00 0.00 175.10 172.11 1n8i s ARG 339 N 1.23 3.21 0.78 1.54 3.52 -0.01 -1.02 118.95 128.21 1n8i s ARG 339 Ca -0.06 -0.60 -0.12 0.00 -0.13 0.00 0.00 55.73 54.82 1n8i s ARG 339 Cb -0.14 -3.94 0.06 0.00 -1.56 0.00 0.00 34.95 29.38 1n8i s ARG 339 CO -0.02 -0.84 1.11 -0.80 -0.81 0.00 0.00 175.30 173.94 1n8i s ASN 340 N 1.84 4.71 0.69 -2.12 0.02 -0.69 -1.53 114.94 117.86 1n8i s ASN 340 Ca 0.15 1.17 -0.11 0.00 -1.02 0.00 0.00 52.86 53.04 1n8i s ASN 340 Cb -0.16 -1.88 0.00 0.00 0.02 0.00 0.00 41.25 39.23 1n8i s ASN 340 CO 0.14 -1.82 1.08 0.68 0.02 0.00 0.00 177.10 177.21 1n8i s VAL 341 N -3.27 3.75 0.00 1.60 -7.23 -1.26 -4.28 120.40 109.71 1n8i s VAL 341 Ca 0.60 0.57 0.00 0.00 -1.81 0.00 0.00 61.98 61.34 1n8i s VAL 341 Cb -0.13 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.25 1n8i s VAL 341 CO 0.53 -0.74 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 1n8i n GLY 342 N -2.95 -1.17 0.02 2.32 0.00 -1.26 -4.50 105.19 97.65 1n8i n GLY 342 Ca 0.07 -1.65 0.09 0.00 0.00 0.00 0.00 46.02 44.52 1n8i n GLY 342 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1n8i n HIS 343 N -1.86 0.16 0.04 1.61 -0.00 -1.26 -3.84 115.22 110.07 1n8i n HIS 343 Ca 0.00 0.06 -0.02 0.00 -0.00 0.00 0.00 57.72 57.76 1n8i n HIS 343 Cb 0.00 -0.59 -0.01 0.00 -0.00 0.00 0.00 29.99 29.39 1n8i n HIS 343 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1n8i h LEU 344 N 0.00 -0.09-10.20 2.41 5.85 -1.93 -3.47 115.31 107.88 1n8i h LEU 344 Ca 0.00 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 58.20 1n8i h LEU 344 Cb 0.33 0.02 0.13 0.00 0.37 0.00 0.00 40.66 41.52 1n8i h LEU 344 CO 0.00 -0.02 0.37 -0.04 -0.34 0.00 0.00 178.44 178.41 1n8i s MET 345 N -2.18 2.36 0.39 1.25 -1.94 -1.26 -4.91 119.30 113.01 1n8i s MET 345 Ca -0.02 1.56 0.08 0.00 -1.71 0.00 0.00 55.69 55.60 1n8i s MET 345 Cb 0.00 -1.88 -0.07 0.00 2.01 0.00 0.00 34.83 34.89 1n8i s MET 345 CO 0.05 -1.62 0.04 0.95 -0.01 0.00 0.00 175.02 174.42 1n8i s THR 346 N -2.22 2.19 -0.15 2.05 -4.23 -1.26 -0.69 115.64 111.33 1n8i s THR 346 Ca 0.70 -1.95 -0.10 0.00 -1.18 0.00 0.00 61.69 59.16 1n8i s THR 346 Cb -0.24 -2.93 0.05 0.00 1.34 0.00 0.00 72.50 70.72 1n8i s THR 346 CO 0.45 -0.05 0.37 0.21 -0.54 0.00 0.00 174.62 175.06 1n8i s ASN 347 N -3.75 -0.42 0.00 3.99 3.84 -0.43 -4.65 114.94 113.52 1n8i s ASN 347 Ca 0.36 0.78 0.03 0.00 0.21 0.00 0.00 52.86 54.24 1n8i s ASN 347 Cb 0.06 0.72 0.18 0.00 -0.55 0.00 0.00 41.25 41.65 1n8i s ASN 347 CO 0.19 -0.16 0.76 -0.90 -2.79 0.00 0.00 177.10 174.20 1n8i n ASP 348 N 3.63 0.00 0.20 -4.21 3.85 -1.26 -3.09 116.55 115.67 1n8i n ASP 348 Ca -0.19 -1.15 0.18 0.00 -0.71 0.00 0.00 54.79 52.92 1n8i n ASP 348 Cb 0.56 0.00 0.83 0.00 -1.35 0.00 0.00 41.12 41.16 1n8i n ASP 348 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1n8i h ALA 349 N 2.39 1.80 -3.04 2.12 0.00 -1.90 -3.39 119.26 117.25 1n8i h ALA 349 Ca 0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1n8i h ALA 349 Cb 0.00 0.02 -0.28 0.00 0.00 0.00 0.00 17.79 17.52 1n8i h ALA 349 CO 0.00 -0.35 -0.45 0.42 0.00 0.00 0.00 179.25 178.87 1n8i s ILE 350 N -4.58 -0.03 0.10 0.00 1.01 -1.18 -1.13 121.20 115.40 1n8i s ILE 350 Ca -0.04 0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.72 1n8i s ILE 350 Cb 0.15 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 42.19 1n8i s ILE 350 CO 0.52 0.04 -0.08 0.68 0.00 0.00 0.00 174.94 176.10 1n8i s VAL 351 N 0.87 0.80 0.43 2.92 -7.23 -1.08 -1.20 120.40 115.90 1n8i s VAL 351 Ca -0.06 -1.80 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 1n8i s VAL 351 Cb -0.07 -1.52 0.09 0.00 0.56 0.00 0.00 36.38 35.44 1n8i s VAL 351 CO -0.06 -0.74 0.58 -0.90 -0.31 0.00 0.00 175.10 173.68 1n8i n ASP 352 N 0.23 0.55 -0.30 4.85 5.68 -0.29 -0.32 116.55 126.95 1n8i n ASP 352 Ca -0.14 -1.52 0.11 0.00 -0.50 0.00 0.00 54.79 52.74 1n8i n ASP 352 Cb 0.59 -0.40 0.27 0.00 -1.14 0.00 0.00 41.12 40.45 1n8i n ASP 352 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1n8i h THR 353 N -0.74 0.54 0.00 2.12 2.02 -1.87 0.24 112.91 115.22 1n8i h THR 353 Ca -0.19 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1n8i h THR 353 Cb 0.65 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1n8i h THR 353 CO 0.18 0.08 0.00 0.47 0.37 0.00 0.00 175.52 176.62 1n8i n ASP 354 N -5.01 0.56 0.00 4.18 10.43 -1.26 -4.88 116.55 120.57 1n8i n ASP 354 Ca 0.20 0.60 0.00 0.00 2.57 0.00 0.00 54.79 58.16 1n8i n ASP 354 Cb 0.58 -0.73 0.00 0.00 1.84 0.00 0.00 41.12 42.81 1n8i n ASP 354 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1n8i n GLY 355 N 0.57 0.76 3.71 0.44 0.00 0.84 -5.05 105.19 106.46 1n8i n GLY 355 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1n8i n GLY 355 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n8i s SER 356 N -2.47 6.80 0.39 1.61 0.01 -1.26 -4.66 113.70 114.12 1n8i s SER 356 Ca 0.00 2.35 -0.26 0.00 1.31 0.00 0.00 55.95 59.34 1n8i s SER 356 Cb 0.00 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 1n8i s SER 356 CO 0.00 -0.68 1.24 -1.61 0.41 0.00 0.00 173.24 172.61 1n8i s GLU 357 N 1.22 4.08 0.22 12.44 2.02 -1.26 -1.14 118.70 136.27 1n8i s GLU 357 Ca 0.65 2.03 -0.20 0.00 0.02 0.00 0.00 54.97 57.47 1n8i s GLU 357 Cb -0.37 -2.79 -0.08 0.00 0.10 0.00 0.00 34.13 30.99 1n8i s GLU 357 CO 0.30 -0.36 0.73 0.08 0.02 0.00 0.00 175.26 176.03 1n8i s VAL 358 N -1.29 4.54 0.11 2.63 1.01 -0.34 -4.73 120.40 122.32 1n8i s VAL 358 Ca 0.55 1.34 -0.34 0.00 0.00 0.00 0.00 61.98 63.53 1n8i s VAL 358 Cb -0.35 -3.89 -0.13 0.00 0.00 0.00 0.00 36.38 32.00 1n8i s VAL 358 CO 0.45 0.25 1.64 0.49 0.00 0.00 0.00 175.10 177.93 1n8i n PHE 359 N 0.83 2.29 -0.10 5.22 3.01 -1.26 -1.31 117.46 126.13 1n8i n PHE 359 Ca -0.03 0.21 -0.10 0.00 1.01 0.00 0.00 57.45 58.54 1n8i n PHE 359 Cb 0.51 -2.57 0.05 0.00 -0.01 0.00 0.00 39.48 37.45 1n8i n PHE 359 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1n8i h GLU 360 N 6.60 0.84 -0.72 -1.08 4.81 -1.17 -2.98 114.58 120.88 1n8i h GLU 360 Ca -0.46 -0.37 0.01 0.00 -0.13 0.00 0.00 59.36 58.41 1n8i h GLU 360 Cb 1.26 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.58 1n8i h GLU 360 CO 0.90 1.01 0.47 0.78 -0.73 0.00 0.00 179.01 181.45 1n8i h GLY 361 N 0.92 1.03 1.00 1.92 0.00 -1.73 0.76 103.07 106.96 1n8i h GLY 361 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1n8i h GLY 361 CO 0.07 0.35 0.10 -2.22 0.00 0.00 0.00 176.54 174.84 1n8i h ILE 362 N 0.96 1.04 -0.60 2.60 2.04 -1.87 -1.81 117.51 119.87 1n8i h ILE 362 Ca 0.27 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.06 1n8i h ILE 362 Cb -0.08 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1n8i h ILE 362 CO -0.07 0.04 0.38 0.24 0.00 0.00 0.00 178.15 178.74 1n8i h MET 363 N 0.21 0.80 -0.82 2.37 2.86 -1.29 -2.35 114.93 116.71 1n8i h MET 363 Ca 0.06 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1n8i h MET 363 Cb -0.02 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.41 1n8i h MET 363 CO -0.01 0.55 0.51 -0.44 1.06 0.00 0.00 176.91 178.58 1n8i h ASP 364 N 0.81 0.82 -0.52 1.22 3.32 -0.56 0.13 116.42 121.64 1n8i h ASP 364 Ca 0.22 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.30 1n8i h ASP 364 Cb -0.06 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 1n8i h ASP 364 CO -0.04 0.55 0.32 0.00 -1.72 0.00 0.00 179.24 178.34 1n8i h ALA 365 N 1.37 0.67 -0.01 3.45 0.00 -0.89 0.16 119.26 124.01 1n8i h ALA 365 Ca 0.34 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1n8i h ALA 365 Cb 0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1n8i h ALA 365 CO -0.15 0.03 -0.00 -0.07 0.00 0.00 0.00 179.25 179.06 1n8i h LEU 366 N 0.64 0.03 -0.01 0.00 3.38 -0.87 -2.49 115.31 115.98 1n8i h LEU 366 Ca 0.21 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 1n8i h LEU 366 Cb 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1n8i h LEU 366 CO -0.08 0.41 -0.16 -0.26 0.09 0.00 0.00 178.44 178.43 1n8i h PHE 367 N -0.35 0.17 0.00 1.13 0.05 -0.70 -1.69 116.94 115.55 1n8i h PHE 367 Ca 0.00 -0.09 -0.07 0.00 3.82 0.00 0.00 57.97 61.63 1n8i h PHE 367 Cb 0.40 -0.02 -0.01 0.00 2.00 0.00 0.00 35.95 38.31 1n8i h PHE 367 CO 0.06 0.87 -0.34 1.79 -0.18 0.00 0.00 178.31 180.51 1n8i h THR 368 N -0.58 1.08 -0.12 -1.55 1.35 -0.83 -1.20 112.91 111.06 1n8i h THR 368 Ca -0.02 -1.22 -0.04 0.00 -0.55 0.00 0.00 66.41 64.58 1n8i h THR 368 Cb 0.91 1.69 -0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1n8i h THR 368 CO 0.03 0.33 -0.07 1.23 -0.25 0.00 0.00 175.52 176.79 1n8i h GLY 369 N 1.27 0.29 0.64 5.82 0.00 -1.49 0.42 103.07 110.02 1n8i h GLY 369 Ca -0.00 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.07 1n8i h GLY 369 CO 0.04 0.24 -0.27 -2.00 0.00 0.00 0.00 176.54 174.55 1n8i h LEU 370 N -0.09 -0.75 -1.06 3.11 5.85 -1.03 -2.65 115.31 118.68 1n8i h LEU 370 Ca 0.03 0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.91 1n8i h LEU 370 Cb 0.54 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.76 1n8i h LEU 370 CO 0.02 -0.39 0.62 0.40 -0.34 0.00 0.00 178.44 178.76 1n8i h ILE 371 N -0.55 1.00 0.00 4.05 2.04 -1.20 -1.54 117.51 121.30 1n8i h ILE 371 Ca 0.00 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1n8i h ILE 371 Cb 0.53 -0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1n8i h ILE 371 CO -0.09 0.19 -0.01 0.00 0.00 0.00 0.00 178.15 178.25 1n8i h ALA 372 N 1.51 1.28 -0.85 1.87 0.00 -0.54 -2.35 119.26 120.18 1n8i h ALA 372 Ca 0.45 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.44 1n8i h ALA 372 Cb 0.33 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1n8i h ALA 372 CO -0.20 0.01 0.55 0.82 0.00 0.00 0.00 179.25 180.43 1n8i h ILE 373 N 0.00 0.97 -0.22 0.00 2.04 -1.16 -0.85 117.51 118.29 1n8i h ILE 373 Ca -0.00 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1n8i h ILE 373 Cb 0.03 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 1n8i h ILE 373 CO 0.00 0.15 0.04 0.45 0.00 0.00 0.00 178.15 178.79 1n8i h HIS 374 N 0.84 0.32 0.00 1.37 3.86 -1.60 0.09 115.15 120.03 1n8i h HIS 374 Ca 0.39 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 1n8i h HIS 374 Cb 0.40 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1n8i h HIS 374 CO -0.00 0.30 0.00 0.41 0.86 0.00 0.00 177.93 179.50 1n8i n GLY 375 N -1.20 -0.80 1.11 2.45 0.00 -0.33 -2.15 105.19 104.27 1n8i n GLY 375 Ca 0.00 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 45.99 1n8i n GLY 375 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n8i n LEU 376 N -1.04 3.41 -4.09 0.99 4.77 0.02 -0.50 117.00 120.56 1n8i n LEU 376 Ca 0.17 -1.51 -0.13 0.00 -0.03 0.00 0.00 56.01 54.51 1n8i n LEU 376 Cb 0.10 -0.24 -0.11 0.00 -2.33 0.00 0.00 43.42 40.83 1n8i n LEU 376 CO 0.14 0.74 -0.41 -1.59 -1.33 0.00 0.00 177.39 174.94 1n8i s LYS 377 N -1.44 0.60 0.10 3.23 -2.85 -0.91 -4.99 119.74 113.47 1n8i s LYS 377 Ca 0.37 -0.85 -0.34 0.00 -1.00 0.00 0.00 55.97 54.16 1n8i s LYS 377 Cb 0.22 -0.35 -0.13 0.00 -2.06 0.00 0.00 37.83 35.50 1n8i s LYS 377 CO 0.30 0.06 1.64 0.00 0.10 0.00 0.00 175.35 177.46 1n8i n ALA 378 N 1.28 1.22 -1.76 0.59 0.00 -1.26 -4.58 120.51 115.99 1n8i n ALA 378 Ca -0.21 0.41 -0.39 0.00 0.00 0.00 0.00 53.44 53.25 1n8i n ALA 378 Cb 0.55 -2.38 0.02 0.00 0.00 0.00 0.00 19.45 17.64 1n8i n ALA 378 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1n8i s SER 379 N 1.61 5.69 -0.19 0.00 1.04 -1.26 -5.01 113.70 115.58 1n8i s SER 379 Ca 0.82 2.73 0.02 0.00 0.48 0.00 0.00 55.95 60.00 1n8i s SER 379 Cb -0.69 -2.64 0.29 0.00 0.10 0.00 0.00 66.02 63.09 1n8i s SER 379 CO 0.41 -1.28 1.38 0.47 0.98 0.00 0.00 173.24 175.19 1n8i n ASP 380 N -0.58 3.31 -3.91 7.02 8.00 -1.26 -5.09 116.55 124.04 1n8i n ASP 380 Ca 0.08 -2.68 -0.11 0.00 0.71 0.00 0.00 54.79 52.79 1n8i n ASP 380 Cb 0.44 -0.64 -0.12 0.00 -0.02 0.00 0.00 41.12 40.78 1n8i n ASP 380 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1n8i s ILE 386 N -1.44 0.06 -0.06 0.53 2.07 -1.26 -5.16 121.20 115.95 1n8i s ILE 386 Ca 0.24 -0.53 -0.02 0.00 -1.41 0.00 0.00 60.65 58.93 1n8i s ILE 386 Cb 0.20 -0.22 -0.01 0.00 0.13 0.00 0.00 42.46 42.57 1n8i s ILE 386 CO 0.05 -0.29 -0.03 -1.13 -1.91 0.00 0.00 174.94 171.62 1n8i h ASN 387 N 5.12 0.00 -3.46 4.50 -0.00 -1.11 -3.46 115.58 117.16 1n8i h ASN 387 Ca -0.29 0.00 -0.65 0.00 -0.00 0.00 0.00 56.30 55.36 1n8i h ASN 387 Cb 1.21 0.00 -0.23 0.00 -0.00 0.00 0.00 38.32 39.29 1n8i h ASN 387 CO 0.44 0.30 -0.66 -0.55 -0.00 0.00 0.00 177.43 176.95 1n8i s SER 388 N -4.40 4.84 0.18 1.15 0.15 -1.17 -4.82 113.70 109.64 1n8i s SER 388 Ca -0.03 -0.22 0.23 0.00 0.70 0.00 0.00 55.95 56.64 1n8i s SER 388 Cb 0.00 -1.84 0.16 0.00 -1.71 0.00 0.00 66.02 62.64 1n8i s SER 388 CO 0.04 0.04 1.19 0.03 1.20 0.00 0.00 173.24 175.74 1n8i h ARG 389 N 7.68 0.00 -0.03 5.44 -0.00 -1.90 -3.31 114.38 122.26 1n8i h ARG 389 Ca -0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.11 1n8i h ARG 389 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.15 1n8i h ARG 389 CO 0.60 0.00 0.00 0.25 0.00 0.00 0.00 179.97 180.82 1n8i n THR 390 N -2.46 0.02 -1.20 2.04 -2.24 -1.26 -4.96 114.28 104.22 1n8i n THR 390 Ca 0.02 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1n8i n THR 390 Cb 0.50 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1n8i n THR 390 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n8i n GLY 391 N 1.18 0.60 3.71 3.38 0.00 -1.25 -4.77 105.19 108.05 1n8i n GLY 391 Ca 0.19 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 1n8i n GLY 391 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n8i s SER 392 N -2.80 5.04 -0.16 1.61 0.01 -1.26 -4.83 113.70 111.31 1n8i s SER 392 Ca 0.00 -0.30 -0.00 0.00 1.31 0.00 0.00 55.95 56.96 1n8i s SER 392 Cb 0.00 -1.17 -0.00 0.00 0.21 0.00 0.00 66.02 65.06 1n8i s SER 392 CO 0.00 0.09 -0.14 -0.63 0.41 0.00 0.00 173.24 172.96 1n8i s ILE 393 N -1.72 2.73 -0.38 1.44 1.01 -0.16 -4.67 121.20 119.45 1n8i s ILE 393 Ca 0.29 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 60.08 1n8i s ILE 393 Cb -0.10 -2.16 0.04 0.00 0.01 0.00 0.00 42.46 40.25 1n8i s ILE 393 CO 0.20 0.51 0.22 -0.31 0.00 0.00 0.00 174.94 175.56 1n8i s TYR 394 N 0.83 3.26 -0.16 3.97 1.51 -1.26 0.76 117.35 126.26 1n8i s TYR 394 Ca -0.05 -1.08 -0.01 0.00 -1.01 0.00 0.00 57.07 54.92 1n8i s TYR 394 Cb -0.15 -2.54 -0.01 0.00 -0.11 0.00 0.00 41.96 39.15 1n8i s TYR 394 CO -0.00 -0.69 -0.11 0.42 -1.11 0.00 0.00 175.55 174.05 1n8i s ILE 395 N 1.53 3.04 -0.11 2.71 1.01 -0.43 -1.20 121.20 127.75 1n8i s ILE 395 Ca 0.02 -0.64 -0.21 0.00 0.00 0.00 0.00 60.65 59.82 1n8i s ILE 395 Cb -0.20 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1n8i s ILE 395 CO 0.06 0.49 0.60 -0.69 0.00 0.00 0.00 174.94 175.40 1n8i s VAL 396 N 0.81 5.10 -0.30 2.92 1.01 -0.19 0.06 120.40 129.81 1n8i s VAL 396 Ca -0.04 1.21 -0.03 0.00 0.00 0.00 0.00 61.98 63.12 1n8i s VAL 396 Cb -0.15 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.34 1n8i s VAL 396 CO 0.01 0.26 0.02 -0.75 0.00 0.00 0.00 175.10 174.64 1n8i s LYS 397 N 0.89 2.53 0.64 2.72 2.47 -0.66 -1.70 119.74 126.63 1n8i s LYS 397 Ca 0.32 -1.20 -0.00 0.00 -1.56 0.00 0.00 55.97 53.52 1n8i s LYS 397 Cb -0.16 -3.23 0.08 0.00 -1.46 0.00 0.00 37.83 33.05 1n8i s LYS 397 CO 0.14 -0.60 0.89 -1.25 0.16 0.00 0.00 175.35 174.68 1n8i s PRO 398 N 1.30 2.14 -1.04 4.03 0.04 -1.26 -3.20 135.00 137.02 1n8i s PRO 398 Ca -0.04 -0.90 -0.06 0.00 0.04 0.00 0.00 61.00 60.04 1n8i s PRO 398 Cb -0.19 -2.40 0.05 0.00 0.04 0.00 0.00 34.50 32.00 1n8i s PRO 398 CO -0.00 -1.07 0.28 1.63 0.04 0.00 0.00 177.00 177.88 1n8i n LYS 399 N -2.59 -2.85 -3.00 4.56 5.02 -1.26 -4.30 118.16 113.74 1n8i n LYS 399 Ca 0.11 0.40 -0.37 0.00 -2.02 0.00 0.00 58.31 56.44 1n8i n LYS 399 Cb 0.60 -5.04 -0.06 0.00 -0.02 0.00 0.00 35.03 30.51 1n8i n LYS 399 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1n8i s MET 400 N -5.65 4.37 -0.51 1.97 -1.94 -1.26 -4.74 119.30 111.54 1n8i s MET 400 Ca 0.25 1.02 0.03 0.00 -1.71 0.00 0.00 55.69 55.28 1n8i s MET 400 Cb -0.13 -2.87 0.13 0.00 2.01 0.00 0.00 34.83 33.96 1n8i s MET 400 CO 0.31 0.37 0.26 -1.01 -0.01 0.00 0.00 175.02 174.94 1n8i s HIS 401 N -1.53 3.28 0.00 -0.03 3.76 -1.26 -4.51 115.29 114.99 1n8i s HIS 401 Ca 0.45 -3.09 0.00 0.00 -0.15 0.00 0.00 55.06 52.27 1n8i s HIS 401 Cb -0.18 -2.89 0.00 0.00 1.11 0.00 0.00 32.58 30.63 1n8i s HIS 401 CO 0.22 -0.78 0.00 0.41 -0.85 0.00 0.00 174.74 173.74 1n8i n GLY 402 N 3.29 0.60 0.31 -2.22 0.00 -1.25 -4.46 105.19 101.47 1n8i n GLY 402 Ca 0.05 -1.79 0.08 0.00 0.00 0.00 0.00 46.02 44.36 1n8i n GLY 402 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n8i h PRO 403 N 0.00 0.36 -0.50 1.61 0.13 -1.86 -2.66 132.00 129.07 1n8i h PRO 403 Ca 0.00 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 65.01 1n8i h PRO 403 Cb 0.00 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.03 1n8i h PRO 403 CO 0.00 0.24 -0.10 0.00 -0.23 0.00 0.00 178.00 177.91 1n8i h ALA 404 N 1.79 0.88 0.00 -0.56 0.00 -1.95 0.45 119.26 119.87 1n8i h ALA 404 Ca 0.16 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1n8i h ALA 404 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1n8i h ALA 404 CO -0.04 0.64 -0.48 0.93 0.00 0.00 0.00 179.25 180.31 1n8i h GLU 405 N 0.82 0.00 -0.20 0.00 5.08 -1.70 0.56 114.58 119.15 1n8i h GLU 405 Ca 0.13 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 1n8i h GLU 405 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1n8i h GLU 405 CO 0.04 0.48 -0.38 0.28 -1.00 0.00 0.00 179.01 178.42 1n8i h VAL 406 N 0.00 1.33 -0.30 3.13 2.07 -1.21 -2.06 116.25 119.22 1n8i h VAL 406 Ca -0.00 -1.61 -0.06 0.00 0.82 0.00 0.00 66.70 65.84 1n8i h VAL 406 Cb 0.85 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1n8i h VAL 406 CO 0.06 0.50 -0.06 0.00 0.02 0.00 0.00 177.57 178.09 1n8i h ALA 407 N 0.60 1.35 -0.61 1.67 0.00 -0.67 -1.27 119.26 120.33 1n8i h ALA 407 Ca 0.01 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1n8i h ALA 407 Cb 0.98 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1n8i h ALA 407 CO 0.09 0.44 0.13 0.35 0.00 0.00 0.00 179.25 180.26 1n8i h PHE 408 N 0.45 1.04 -0.73 0.00 3.57 -0.72 -1.10 116.94 119.44 1n8i h PHE 408 Ca 0.09 -0.13 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 1n8i h PHE 408 Cb 0.39 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1n8i h PHE 408 CO 0.01 0.88 0.23 1.15 -2.23 0.00 0.00 178.31 178.36 1n8i h THR 409 N 0.89 1.26 -0.73 4.41 2.02 -0.75 -0.51 112.91 119.49 1n8i h THR 409 Ca 0.19 -0.90 -0.06 0.00 0.77 0.00 0.00 66.41 66.41 1n8i h THR 409 Cb 0.38 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1n8i h THR 409 CO 0.01 0.35 0.23 0.00 0.37 0.00 0.00 175.52 176.48 1n8i h GLU 411 N 1.09 0.77 -0.11 0.00 4.57 -0.89 -0.45 114.58 119.58 1n8i h GLU 411 Ca 0.24 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1n8i h GLU 411 Cb 0.31 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1n8i h GLU 411 CO -0.01 0.99 0.07 1.25 -1.18 0.00 0.00 179.01 180.13 1n8i h LEU 412 N 0.65 0.13 -0.74 1.64 5.85 -0.70 0.26 115.31 122.39 1n8i h LEU 412 Ca 0.07 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1n8i h LEU 412 Cb 0.86 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1n8i h LEU 412 CO 0.08 0.12 0.48 -0.26 -0.34 0.00 0.00 178.44 178.51 1n8i h PHE 413 N 0.12 0.91 -0.98 1.25 -1.00 -1.00 -0.30 116.94 115.94 1n8i h PHE 413 Ca 0.04 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.86 1n8i h PHE 413 Cb 0.01 -0.30 -0.05 0.00 3.61 0.00 0.00 35.95 39.22 1n8i h PHE 413 CO -0.06 0.55 0.65 1.03 -1.61 0.00 0.00 178.31 178.87 1n8i h SER 414 N 0.97 1.11 0.31 2.17 0.87 -0.47 0.68 113.55 119.18 1n8i h SER 414 Ca 0.28 -0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.66 1n8i h SER 414 Cb -0.05 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.63 1n8i h SER 414 CO -0.08 0.79 -0.65 0.03 -0.53 0.00 0.00 176.83 176.39 1n8i h ARG 415 N 1.30 0.32 -0.31 2.24 2.47 -0.34 -2.72 114.38 117.34 1n8i h ARG 415 Ca 0.37 -0.23 -0.17 0.00 -1.26 0.00 0.00 59.98 58.69 1n8i h ARG 415 Cb -0.10 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.25 1n8i h ARG 415 CO -0.09 0.86 -0.47 0.28 0.56 0.00 0.00 179.97 181.10 1n8i h VAL 416 N 0.23 1.28 -0.95 2.04 2.07 -0.42 -1.70 116.25 118.80 1n8i h VAL 416 Ca -0.01 -1.66 0.01 0.00 0.82 0.00 0.00 66.70 65.86 1n8i h VAL 416 Cb 1.18 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 32.47 1n8i h VAL 416 CO 0.11 0.54 0.63 -0.33 0.02 0.00 0.00 177.57 178.54 1n8i h GLU 417 N 0.66 1.24 0.07 1.57 5.08 -0.88 0.20 114.58 122.52 1n8i h GLU 417 Ca 0.03 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1n8i h GLU 417 Cb 1.08 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1n8i h GLU 417 CO 0.11 0.82 -0.05 0.22 -1.00 0.00 0.00 179.01 179.11 1n8i h ASP 418 N 1.28 -0.13 -0.88 1.42 1.82 -1.30 0.38 116.42 119.01 1n8i h ASP 418 Ca 0.35 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 57.00 1n8i h ASP 418 Cb -0.14 0.04 -0.04 0.00 0.68 0.00 0.00 39.33 39.87 1n8i h ASP 418 CO -0.08 -0.08 0.54 0.58 -1.61 0.00 0.00 179.24 178.59 1n8i h VAL 419 N -0.13 1.24 -0.00 2.25 2.07 -0.56 -2.21 116.25 118.92 1n8i h VAL 419 Ca -0.00 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1n8i h VAL 419 Cb 0.11 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1n8i h VAL 419 CO -0.00 0.25 -0.16 0.18 0.02 0.00 0.00 177.57 177.86 1n8i n LEU 420 N -4.37 0.30 -0.87 2.57 4.77 0.63 -4.79 117.00 115.23 1n8i n LEU 420 Ca 0.10 0.18 -0.09 0.00 -0.03 0.00 0.00 56.01 56.17 1n8i n LEU 420 Cb 0.05 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 1n8i n LEU 420 CO 0.38 0.06 -0.10 0.61 -1.33 0.00 0.00 177.39 177.01 1n8i n GLY 421 N 1.40 0.49 3.90 -0.72 0.00 0.11 -4.96 105.19 105.40 1n8i n GLY 421 Ca 0.10 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 1n8i n GLY 421 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n8i s LEU 422 N -2.34 4.11 0.63 0.99 1.43 0.43 -5.01 118.68 118.93 1n8i s LEU 422 Ca 0.00 0.73 -0.18 0.00 -1.03 0.00 0.00 54.13 53.64 1n8i s LEU 422 Cb 0.00 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 1n8i s LEU 422 CO 0.00 -0.13 1.27 -2.65 0.23 0.00 0.00 176.35 175.07 1n8i n PRO 423 N -0.63 1.16 -2.02 1.29 -0.02 -1.26 -4.49 135.00 129.02 1n8i n PRO 423 Ca -0.01 0.45 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 1n8i n PRO 423 Cb 0.53 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 1n8i n PRO 423 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1n8i s GLN 424 N -3.26 4.28 0.00 -0.52 -1.52 -1.26 -2.58 119.66 114.80 1n8i s GLN 424 Ca 0.81 2.32 0.00 0.00 -1.95 0.00 0.00 55.36 56.54 1n8i s GLN 424 Cb -0.39 -3.04 0.00 0.00 -0.22 0.00 0.00 33.01 29.36 1n8i s GLN 424 CO 0.42 -0.29 0.00 0.09 -0.25 0.00 0.00 175.29 175.25 1n8i n ASN 425 N 0.76 -2.27 -0.15 5.90 5.03 -1.26 -4.92 115.26 118.35 1n8i n ASN 425 Ca 0.00 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.37 1n8i n ASN 425 Cb 0.41 -0.38 -0.00 0.00 -1.02 0.00 0.00 39.78 38.79 1n8i n ASN 425 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 1n8i h THR 426 N 0.00 1.21 -2.87 3.41 2.02 -1.82 -3.38 112.91 111.48 1n8i h THR 426 Ca 0.00 -0.68 -0.55 0.00 0.77 0.00 0.00 66.41 65.95 1n8i h THR 426 Cb 0.00 0.84 -0.07 0.00 -1.74 0.00 0.00 68.15 67.18 1n8i h THR 426 CO 0.00 0.25 1.03 -0.04 0.37 0.00 0.00 175.52 177.13 1n8i s MET 427 N -5.47 3.37 0.43 6.66 -1.94 -1.26 -0.99 119.30 120.10 1n8i s MET 427 Ca -0.13 0.17 -0.06 0.00 -1.71 0.00 0.00 55.69 53.96 1n8i s MET 427 Cb 0.11 -4.09 -0.04 0.00 2.01 0.00 0.00 34.83 32.81 1n8i s MET 427 CO 0.77 -1.88 0.74 0.15 -0.01 0.00 0.00 175.02 174.78 1n8i s LYS 428 N 5.32 3.60 -0.09 2.03 -0.14 0.23 -4.95 119.74 125.75 1n8i s LYS 428 Ca 0.43 0.19 0.04 0.00 -1.36 0.00 0.00 55.97 55.27 1n8i s LYS 428 Cb -0.08 -2.43 0.00 0.00 -1.68 0.00 0.00 37.83 33.63 1n8i s LYS 428 CO 0.22 -0.09 -0.21 -1.50 -0.76 0.00 0.00 175.35 173.01 1n8i s ILE 429 N -2.55 1.82 -0.46 2.17 2.07 0.42 -1.31 121.20 123.36 1n8i s ILE 429 Ca 0.47 -0.88 -0.18 0.00 -1.41 0.00 0.00 60.65 58.65 1n8i s ILE 429 Cb -0.10 -1.59 0.05 0.00 0.13 0.00 0.00 42.46 40.95 1n8i s ILE 429 CO 0.39 0.51 0.50 -0.83 -1.91 0.00 0.00 174.94 173.60 1n8i s GLY 430 N 0.39 1.88 -0.26 1.50 0.00 0.11 -1.34 107.32 109.59 1n8i s GLY 430 Ca -0.17 -1.71 -0.27 0.00 0.00 0.00 0.00 44.72 42.57 1n8i s GLY 430 CO 0.07 1.27 0.94 -0.42 0.00 0.00 0.00 173.10 174.96 1n8i s ILE 431 N 2.23 4.71 -0.16 0.90 1.01 0.83 -1.65 121.20 129.07 1n8i s ILE 431 Ca 0.12 1.69 -0.25 0.00 0.00 0.00 0.00 60.65 62.21 1n8i s ILE 431 Cb -0.19 -4.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.01 1n8i s ILE 431 CO 0.12 -0.22 0.81 -0.04 0.00 0.00 0.00 174.94 175.60 1n8i s MET 432 N 3.14 4.30 -0.93 2.79 -1.94 -1.19 -1.12 119.30 124.35 1n8i s MET 432 Ca 0.40 0.98 -0.13 0.00 -1.71 0.00 0.00 55.69 55.22 1n8i s MET 432 Cb -0.14 -3.56 0.23 0.00 2.01 0.00 0.00 34.83 33.37 1n8i s MET 432 CO 0.09 -0.28 0.91 0.34 -0.01 0.00 0.00 175.02 176.07 1n8i s ASP 433 N 1.13 6.94 -0.01 3.03 3.68 0.13 -4.63 116.67 126.95 1n8i s ASP 433 Ca 0.38 -2.96 0.02 0.00 2.13 0.00 0.00 52.55 52.12 1n8i s ASP 433 Cb -0.17 -2.22 0.04 0.00 -1.45 0.00 0.00 42.92 39.12 1n8i s ASP 433 CO 0.13 -0.51 1.02 -1.84 0.13 0.00 0.00 175.17 174.10 1n8i n GLU 434 N 3.72 0.08 -3.87 4.34 0.28 -1.26 -2.10 120.64 121.83 1n8i n GLU 434 Ca 0.18 -1.15 -0.13 0.00 -0.16 0.00 0.00 57.16 55.90 1n8i n GLU 434 Cb 0.45 -0.54 -0.15 0.00 1.43 0.00 0.00 31.44 32.63 1n8i n GLU 434 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1n8i s GLU 435 N -0.17 0.03 0.24 3.44 0.41 -1.26 -1.90 118.70 119.48 1n8i s GLU 435 Ca 0.04 0.04 -0.04 0.00 -0.41 0.00 0.00 54.97 54.59 1n8i s GLU 435 Cb 0.04 -0.11 0.45 0.00 -1.78 0.00 0.00 34.13 32.73 1n8i s GLU 435 CO -0.01 -0.04 1.74 -0.09 -0.49 0.00 0.00 175.26 176.37 1n8i h ARG 436 N 6.47 0.47 0.00 1.61 2.43 -1.89 -0.51 114.38 122.96 1n8i h ARG 436 Ca -0.30 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1n8i h ARG 436 Cb 1.18 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1n8i h ARG 436 CO 0.50 0.31 0.00 -0.09 -1.51 0.00 0.00 179.97 179.18 1n8i h ARG 437 N 0.48 0.00 0.12 0.20 2.43 -1.93 -1.71 114.38 113.98 1n8i h ARG 437 Ca 0.41 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 59.23 1n8i h ARG 437 Cb 0.60 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1n8i h ARG 437 CO -0.38 0.00 -1.90 1.15 -1.51 0.00 0.00 179.97 177.32 1n8i h THR 438 N 0.00 0.72 0.16 0.20 2.02 -1.38 -3.28 112.91 111.34 1n8i h THR 438 Ca 0.00 -2.43 0.01 0.00 0.77 0.00 0.00 66.41 64.76 1n8i h THR 438 Cb 0.26 2.55 -0.03 0.00 -1.74 0.00 0.00 68.15 69.19 1n8i h THR 438 CO 0.00 0.85 -0.23 0.74 0.37 0.00 0.00 175.52 177.24 1n8i h THR 439 N 0.07 0.48 0.00 3.16 2.02 -0.57 0.33 112.91 118.41 1n8i h THR 439 Ca -0.39 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1n8i h THR 439 Cb 2.04 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1n8i h THR 439 CO 0.11 0.00 0.00 1.33 0.37 0.00 0.00 175.52 177.33 1n8i n VAL 440 N -5.36 0.27 -2.04 3.16 0.24 -0.71 -2.41 118.33 111.48 1n8i n VAL 440 Ca -0.07 0.07 0.05 0.00 -2.04 0.00 0.00 64.34 62.34 1n8i n VAL 440 Cb 0.27 -0.73 0.09 0.00 -1.47 0.00 0.00 33.84 31.99 1n8i n VAL 440 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1n8i n ASN 441 N -1.20 1.21 -0.16 -1.34 3.02 -0.87 -4.78 115.26 111.15 1n8i n ASN 441 Ca 0.11 -2.69 -0.02 0.00 -0.03 0.00 0.00 54.58 51.95 1n8i n ASN 441 Cb 0.13 -0.37 0.06 0.00 -0.61 0.00 0.00 39.78 39.00 1n8i n ASN 441 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1n8i h LEU 442 N 0.80 -0.05 -0.31 3.41 5.85 0.00 -1.47 115.31 123.54 1n8i h LEU 442 Ca -0.11 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.77 1n8i h LEU 442 Cb 1.48 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.59 1n8i h LEU 442 CO 0.05 0.00 -0.09 0.50 -0.34 0.00 0.00 178.44 178.56 1n8i h LYS 443 N 0.20 -0.02 -0.91 1.25 3.64 -1.87 -0.56 116.57 118.31 1n8i h LYS 443 Ca 0.25 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1n8i h LYS 443 Cb 0.34 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 1n8i h LYS 443 CO -0.35 -0.01 0.60 0.00 -2.27 0.00 0.00 179.45 177.42 1n8i h ALA 444 N 1.28 1.36 -0.39 5.00 0.00 -1.79 -0.63 119.26 124.10 1n8i h ALA 444 Ca 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1n8i h ALA 444 Cb 0.25 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1n8i h ALA 444 CO -0.33 0.59 0.15 0.00 0.00 0.00 0.00 179.25 179.66 1n8i h ILE 446 N 0.48 1.14 -0.95 0.00 2.04 -0.71 -2.71 117.51 116.80 1n8i h ILE 446 Ca 0.13 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1n8i h ILE 446 Cb 0.20 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 1n8i h ILE 446 CO -0.01 0.14 0.60 0.50 0.00 0.00 0.00 178.15 179.38 1n8i h LYS 447 N 0.66 1.27 0.00 2.37 3.64 -0.85 0.51 116.57 124.17 1n8i h LYS 447 Ca 0.18 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1n8i h LYS 447 Cb -0.04 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.50 1n8i h LYS 447 CO -0.04 0.86 -0.02 0.00 -2.27 0.00 0.00 179.45 177.99 1n8i h ALA 448 N 1.37 1.49 -0.04 5.00 0.00 -0.83 -1.74 119.26 124.50 1n8i h ALA 448 Ca 0.34 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1n8i h ALA 448 Cb -0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1n8i h ALA 448 CO -0.07 0.02 -0.28 0.00 0.00 0.00 0.00 179.25 178.92 1n8i n ALA 449 N -2.32 3.26 -0.09 0.00 0.00 -0.49 -4.68 120.51 116.20 1n8i n ALA 449 Ca -0.03 -3.04 0.26 0.00 0.00 0.00 0.00 53.44 50.63 1n8i n ALA 449 Cb 0.10 -0.41 0.68 0.00 0.00 0.00 0.00 19.45 19.83 1n8i n ALA 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n8i h ALA 450 N 0.71 2.58 -0.30 0.00 0.00 0.00 0.12 119.26 122.37 1n8i h ALA 450 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1n8i h ALA 450 Cb 1.08 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1n8i h ALA 450 CO 0.04 -1.11 0.00 -0.40 0.00 0.00 0.00 179.25 177.78 1n8i n ASP 451 N -3.74 2.84 0.00 0.00 5.75 -1.26 -0.20 116.55 119.94 1n8i n ASP 451 Ca 0.16 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 1n8i n ASP 451 Cb 0.99 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.88 1n8i n ASP 451 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1n8i n ARG 452 N 0.75 2.68 -2.13 0.11 1.74 0.17 -4.29 116.66 115.68 1n8i n ARG 452 Ca 0.12 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.78 1n8i n ARG 452 Cb 0.43 -0.75 -0.03 0.00 -1.02 0.00 0.00 32.46 31.09 1n8i n ARG 452 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1n8i s VAL 453 N -1.10 3.22 -0.39 1.55 0.11 0.16 -0.43 120.40 123.51 1n8i s VAL 453 Ca 0.00 0.87 0.06 0.00 -2.93 0.00 0.00 61.98 59.97 1n8i s VAL 453 Cb 0.00 -3.55 -0.03 0.00 -1.53 0.00 0.00 36.38 31.27 1n8i s VAL 453 CO 0.00 0.06 0.35 1.33 -3.33 0.00 0.00 175.10 173.52 1n8i n VAL 454 N 4.00 0.00 -3.61 2.04 0.24 -0.45 -4.75 118.33 115.80 1n8i n VAL 454 Ca 0.12 -0.41 -0.02 0.00 -2.04 0.00 0.00 64.34 61.99 1n8i n VAL 454 Cb 0.42 1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 33.81 1n8i n VAL 454 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 1n8i s PHE 455 N -1.24 -0.07 0.02 6.34 -0.12 -1.24 -0.71 117.98 120.96 1n8i s PHE 455 Ca 0.03 0.03 0.04 0.00 -0.05 0.00 0.00 56.93 56.99 1n8i s PHE 455 Cb 0.04 0.52 -0.02 0.00 -0.63 0.00 0.00 43.02 42.93 1n8i s PHE 455 CO 0.18 -0.15 -0.13 0.96 -0.05 0.00 0.00 175.22 176.04 1n8i s ILE 456 N -2.29 0.99 -0.08 -4.49 -4.36 -0.99 -0.12 121.20 109.86 1n8i s ILE 456 Ca 0.11 -0.83 -0.05 0.00 -0.26 0.00 0.00 60.65 59.62 1n8i s ILE 456 Cb 0.01 -0.88 0.03 0.00 1.25 0.00 0.00 42.46 42.86 1n8i s ILE 456 CO -0.04 0.05 0.19 0.21 0.24 0.00 0.00 174.94 175.59 1n8i s ASN 457 N -0.88 -0.19 -1.06 4.36 3.84 -0.28 -0.84 114.94 119.89 1n8i s ASN 457 Ca 0.02 0.39 -0.22 0.00 0.21 0.00 0.00 52.86 53.26 1n8i s ASN 457 Cb -0.07 0.32 0.06 0.00 -0.55 0.00 0.00 41.25 41.01 1n8i s ASN 457 CO 0.01 -0.12 1.49 0.42 -2.79 0.00 0.00 177.10 176.10 1n8i s THR 458 N 0.78 3.98 -1.23 -5.21 -4.23 -0.78 0.20 115.64 109.15 1n8i s THR 458 Ca -0.06 -0.97 -0.21 0.00 -1.18 0.00 0.00 61.69 59.27 1n8i s THR 458 Cb -0.07 -5.07 -0.01 0.00 1.34 0.00 0.00 72.50 68.68 1n8i s THR 458 CO -0.04 -1.94 1.84 -0.83 -0.54 0.00 0.00 174.62 173.11 1n8i s GLY 459 N 4.81 0.85 0.54 3.99 0.00 -0.89 -3.25 107.32 113.37 1n8i s GLY 459 Ca 0.47 -2.50 0.24 0.00 0.00 0.00 0.00 44.72 42.93 1n8i s GLY 459 CO -0.07 3.17 2.05 0.27 0.00 0.00 0.00 173.10 178.52 1n8i h PHE 460 N 8.76 0.00 0.58 1.90 -5.15 -1.91 -1.55 116.94 119.58 1n8i h PHE 460 Ca 0.32 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 58.06 1n8i h PHE 460 Cb 0.91 0.00 0.01 0.00 0.22 0.00 0.00 35.95 37.08 1n8i h PHE 460 CO 1.31 0.00 -0.28 -0.07 -2.00 0.00 0.00 178.31 177.27 1n8i h LEU 461 N 0.00 -0.66 -0.91 2.10 3.38 -1.93 -1.19 115.31 116.09 1n8i h LEU 461 Ca 0.15 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.21 1n8i h LEU 461 Cb 0.65 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.51 1n8i h LEU 461 CO -0.00 -0.26 0.57 0.44 0.09 0.00 0.00 178.44 179.27 1n8i h ASP 462 N -1.21 0.88 -0.97 -0.43 3.45 -1.78 -1.25 116.42 115.13 1n8i h ASP 462 Ca -0.08 0.02 0.05 0.00 0.43 0.00 0.00 57.03 57.45 1n8i h ASP 462 Cb 0.60 -0.16 -0.06 0.00 -0.56 0.00 0.00 39.33 39.15 1n8i h ASP 462 CO 0.13 0.55 0.62 -0.09 -1.57 0.00 0.00 179.24 178.88 1n8i h ARG 463 N 1.01 1.14 -0.49 3.56 9.65 -0.57 0.12 114.38 128.80 1n8i h ARG 463 Ca 0.41 -0.07 -0.13 0.00 -1.10 0.00 0.00 59.98 59.09 1n8i h ARG 463 Cb 0.22 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 1n8i h ARG 463 CO -0.19 0.75 -0.20 1.15 2.80 0.00 0.00 179.97 184.28 1n8i h THR 464 N 1.17 1.27 -0.42 0.20 2.02 -0.21 -0.03 112.91 116.90 1n8i h THR 464 Ca 0.40 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 66.21 1n8i h THR 464 Cb 0.08 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1n8i h THR 464 CO -0.15 0.47 0.27 1.23 0.37 0.00 0.00 175.52 177.71 1n8i h GLY 465 N 0.88 0.61 1.79 2.16 0.00 -0.14 -1.85 103.07 106.52 1n8i h GLY 465 Ca 0.12 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 1n8i h GLY 465 CO 0.06 0.24 -0.29 -1.80 0.00 0.00 0.00 176.54 174.75 1n8i h ASP 466 N 0.57 0.25 -0.36 0.19 -0.00 -0.63 -2.06 116.42 114.37 1n8i h ASP 466 Ca 0.15 -0.08 -0.01 0.00 -0.00 0.00 0.00 57.03 57.09 1n8i h ASP 466 Cb -0.03 -0.07 -0.02 0.00 -0.00 0.00 0.00 39.33 39.22 1n8i h ASP 466 CO -0.03 0.54 0.19 -0.08 -0.00 0.00 0.00 179.24 179.85 1n8i h GLU 467 N 0.22 0.51 -0.05 0.28 4.57 -0.44 -0.03 114.58 119.65 1n8i h GLU 467 Ca 0.03 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1n8i h GLU 467 Cb 0.63 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1n8i h GLU 467 CO 0.05 0.44 0.01 0.82 -1.18 0.00 0.00 179.01 179.14 1n8i h ILE 468 N 0.45 1.21 -0.61 2.32 2.04 -1.14 -2.97 117.51 118.81 1n8i h ILE 468 Ca 0.13 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.29 1n8i h ILE 468 Cb 0.09 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1n8i h ILE 468 CO -0.02 0.17 0.13 -0.74 0.00 0.00 0.00 178.15 177.70 1n8i h HIS 469 N -0.17 1.04 -0.97 1.37 2.76 -1.32 -0.17 115.15 117.69 1n8i h HIS 469 Ca 0.01 -0.13 0.02 0.00 -2.20 0.00 0.00 60.37 58.08 1n8i h HIS 469 Cb 0.27 -0.29 -0.05 0.00 1.55 0.00 0.00 27.41 28.88 1n8i h HIS 469 CO 0.01 0.88 0.64 1.15 -1.30 0.00 0.00 177.93 179.32 1n8i h THR 470 N 0.90 1.21 -0.50 6.26 2.02 -1.02 -2.50 112.91 119.28 1n8i h THR 470 Ca 0.19 -0.44 -0.10 0.00 0.77 0.00 0.00 66.41 66.83 1n8i h THR 470 Cb 0.38 -0.18 -0.06 0.00 -1.74 0.00 0.00 68.15 66.55 1n8i h THR 470 CO 0.01 0.23 0.09 -1.20 0.37 0.00 0.00 175.52 175.02 1n8i n SER 471 N -4.43 4.38 -0.30 4.18 7.64 -1.12 -4.73 113.62 119.23 1n8i n SER 471 Ca 0.12 -3.18 0.11 0.00 1.01 0.00 0.00 58.87 56.93 1n8i n SER 471 Cb 0.05 -0.66 0.24 0.00 -1.01 0.00 0.00 64.21 62.84 1n8i n SER 471 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1n8i h MET 472 N 2.38 0.10 -0.00 1.43 4.05 -0.54 0.12 114.93 122.46 1n8i h MET 472 Ca 0.13 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 1n8i h MET 472 Cb 1.90 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.67 1n8i h MET 472 CO 0.48 0.06 -0.04 0.39 0.23 0.00 0.00 176.91 178.04 1n8i n GLU 473 N -5.37 0.57 0.16 0.39 -0.58 -1.26 -3.85 120.64 110.70 1n8i n GLU 473 Ca 0.19 -0.08 0.01 0.00 -0.42 0.00 0.00 57.16 56.86 1n8i n GLU 473 Cb 0.63 -1.50 0.26 0.00 -0.57 0.00 0.00 31.44 30.27 1n8i n GLU 473 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n8i h ALA 474 N 3.54 1.12 0.00 0.62 0.00 -1.09 -3.42 119.26 120.02 1n8i h ALA 474 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1n8i h ALA 474 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1n8i h ALA 474 CO 0.00 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.29 1n8i n GLY 475 N 0.00 -0.16 3.75 0.00 0.00 -1.25 -5.10 105.19 102.42 1n8i n GLY 475 Ca -0.01 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 1n8i n GLY 475 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1n8i s PRO 476 N -1.50 4.25 0.48 1.61 0.02 -1.26 -4.89 135.00 133.70 1n8i s PRO 476 Ca 0.00 2.34 -0.01 0.00 0.02 0.00 0.00 61.00 63.35 1n8i s PRO 476 Cb 0.00 -3.10 -0.00 0.00 0.02 0.00 0.00 34.50 31.42 1n8i s PRO 476 CO 0.00 -0.45 0.73 -1.64 -0.33 0.00 0.00 177.00 175.31 1n8i s MET 477 N -0.40 3.07 0.80 5.54 -1.94 -1.26 -0.52 119.30 124.59 1n8i s MET 477 Ca 0.60 -0.33 -0.11 0.00 -1.71 0.00 0.00 55.69 54.14 1n8i s MET 477 Cb -0.43 -2.48 0.07 0.00 2.01 0.00 0.00 34.83 34.00 1n8i s MET 477 CO 0.44 -0.35 1.09 0.14 -0.01 0.00 0.00 175.02 176.32 1n8i s VAL 478 N -2.66 3.23 0.65 -6.03 -7.23 -0.73 -4.46 120.40 103.17 1n8i s VAL 478 Ca 0.49 0.40 -0.17 0.00 -1.81 0.00 0.00 61.98 60.89 1n8i s VAL 478 Cb -0.10 -2.98 -0.03 0.00 0.56 0.00 0.00 36.38 33.83 1n8i s VAL 478 CO 0.40 -0.52 0.91 0.54 -0.31 0.00 0.00 175.10 176.12 1n8i n ARG 479 N -3.53 0.70 -0.18 4.82 1.74 -1.26 -4.81 116.66 114.13 1n8i n ARG 479 Ca 0.08 0.28 -0.01 0.00 -0.77 0.00 0.00 57.85 57.44 1n8i n ARG 479 Cb 0.54 -2.14 0.08 0.00 -1.02 0.00 0.00 32.46 29.92 1n8i n ARG 479 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1n8i h LYS 480 N 0.15 0.11 -0.22 5.56 3.64 -1.96 -1.01 116.57 122.84 1n8i h LYS 480 Ca -0.48 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.87 1n8i h LYS 480 Cb 1.36 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 1n8i h LYS 480 CO 0.49 0.07 0.02 0.78 -2.27 0.00 0.00 179.45 178.54 1n8i h GLY 481 N 0.11 0.34 2.00 5.01 0.00 -2.02 -2.00 103.07 106.51 1n8i h GLY 481 Ca 0.29 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 1n8i h GLY 481 CO -0.48 0.16 -0.16 -0.84 0.00 0.00 0.00 176.54 175.23 1n8i h THR 482 N 0.31 0.63 -0.84 4.70 2.02 -1.52 -3.03 112.91 115.18 1n8i h THR 482 Ca 0.07 -0.68 0.08 0.00 0.77 0.00 0.00 66.41 66.66 1n8i h THR 482 Cb 0.19 1.43 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 1n8i h THR 482 CO 0.00 0.15 0.55 0.24 0.37 0.00 0.00 175.52 176.83 1n8i h MET 483 N 0.00 0.82 0.00 6.66 2.07 -1.16 -2.39 114.93 120.94 1n8i h MET 483 Ca -0.00 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 1n8i h MET 483 Cb 0.42 -0.19 0.00 0.00 -1.87 0.00 0.00 31.60 29.96 1n8i h MET 483 CO 0.02 0.55 0.15 0.87 1.07 0.00 0.00 176.91 179.57 1n8i h LYS 484 N 0.85 0.00 0.00 1.72 1.57 -1.69 -2.39 116.57 116.62 1n8i h LYS 484 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1n8i h LYS 484 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1n8i h LYS 484 CO -0.15 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.60 1n8i n SER 485 N -2.98 1.84 -4.77 0.86 3.41 -0.91 -4.86 113.62 106.21 1n8i n SER 485 Ca -0.03 -1.89 -0.35 0.00 -0.26 0.00 0.00 58.87 56.35 1n8i n SER 485 Cb 0.21 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.17 1n8i n SER 485 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1n8i s GLN 486 N -0.89 3.25 0.30 4.33 -1.52 -0.90 -4.89 119.66 119.35 1n8i s GLN 486 Ca 0.00 1.56 0.06 0.00 -1.95 0.00 0.00 55.36 55.03 1n8i s GLN 486 Cb 0.00 -2.00 0.73 0.00 -0.22 0.00 0.00 33.01 31.53 1n8i s GLN 486 CO 0.00 -0.92 1.77 -1.35 -0.25 0.00 0.00 175.29 174.54 1n8i h PRO 487 N 0.97 0.71 -0.65 2.91 0.11 -1.90 -2.41 132.00 131.74 1n8i h PRO 487 Ca -0.49 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 1n8i h PRO 487 Cb 1.26 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1n8i h PRO 487 CO 0.56 0.47 0.37 0.11 -0.21 0.00 0.00 178.00 179.30 1n8i h TRP 488 N 0.74 0.89 -0.02 0.65 5.08 -1.72 -2.11 115.95 119.45 1n8i h TRP 488 Ca 0.58 -0.02 -0.17 0.00 1.08 0.00 0.00 58.89 60.36 1n8i h TRP 488 Cb 0.91 -0.29 -0.01 0.00 -3.00 0.00 0.00 29.16 26.77 1n8i h TRP 488 CO -0.01 0.62 -0.74 0.97 -1.28 0.00 0.00 178.44 178.00 1n8i h ILE 489 N 0.89 1.46 -0.19 0.12 2.10 -1.73 -0.16 117.51 120.00 1n8i h ILE 489 Ca 0.23 -2.34 -0.17 0.00 1.08 0.00 0.00 64.86 63.66 1n8i h ILE 489 Cb 0.02 2.26 -0.00 0.00 -1.09 0.00 0.00 36.82 38.01 1n8i h ILE 489 CO -0.04 0.68 -0.58 -0.07 -1.08 0.00 0.00 178.15 177.06 1n8i h LEU 490 N 0.11 0.69 -0.36 2.19 3.38 -1.41 -0.45 115.31 119.46 1n8i h LEU 490 Ca -0.02 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 57.48 1n8i h LEU 490 Cb 1.31 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1n8i h LEU 490 CO 0.11 1.12 -0.12 0.00 0.09 0.00 0.00 178.44 179.64 1n8i h ALA 491 N 0.89 0.50 -0.62 1.53 0.00 -1.29 -2.60 119.26 117.67 1n8i h ALA 491 Ca 0.00 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.63 1n8i h ALA 491 Cb 1.15 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1n8i h ALA 491 CO 0.11 0.38 0.35 -0.92 0.00 0.00 0.00 179.25 179.18 1n8i h TYR 492 N 0.51 0.65 -0.24 0.00 3.20 -0.82 0.12 116.97 120.40 1n8i h TYR 492 Ca 0.09 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 1n8i h TYR 492 Cb 0.64 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1n8i h TYR 492 CO 0.05 0.34 0.09 0.93 -1.64 0.00 0.00 178.16 177.93 1n8i h GLU 493 N 0.67 0.36 -0.27 1.82 4.39 -0.96 -2.12 114.58 118.47 1n8i h GLU 493 Ca 0.27 -0.07 -0.17 0.00 0.34 0.00 0.00 59.36 59.73 1n8i h GLU 493 Cb 0.12 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1n8i h GLU 493 CO -0.15 0.42 -0.52 -0.44 -1.16 0.00 0.00 179.01 177.16 1n8i h ASP 494 N 0.23 0.85 -0.88 1.42 3.32 -1.27 -3.07 116.42 117.01 1n8i h ASP 494 Ca 0.08 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.68 1n8i h ASP 494 Cb 0.19 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 1n8i h ASP 494 CO -0.01 1.21 0.52 -0.74 -1.72 0.00 0.00 179.24 178.50 1n8i h HIS 495 N 0.60 1.18 -0.39 4.55 2.76 -0.72 0.11 115.15 123.24 1n8i h HIS 495 Ca 0.02 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1n8i h HIS 495 Cb 1.10 -0.38 -0.02 0.00 1.55 0.00 0.00 27.41 29.66 1n8i h HIS 495 CO 0.06 0.79 0.19 -0.97 -1.30 0.00 0.00 177.93 176.71 1n8i h ASN 496 N 1.23 0.50 -0.15 3.26 -0.73 -1.36 -1.55 115.58 116.77 1n8i h ASN 496 Ca 0.32 -0.12 -0.01 0.00 1.87 0.00 0.00 56.30 58.36 1n8i h ASN 496 Cb -0.03 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.43 1n8i h ASN 496 CO -0.06 0.47 0.07 0.58 -0.37 0.00 0.00 177.43 178.13 1n8i h VAL 497 N 0.49 1.13 -0.40 2.57 2.07 -1.35 -2.10 116.25 118.66 1n8i h VAL 497 Ca 0.13 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 67.32 1n8i h VAL 497 Cb 0.10 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1n8i h VAL 497 CO -0.02 0.12 0.10 0.44 0.02 0.00 0.00 177.57 178.23 1n8i h ASP 498 N 0.12 0.05 -0.57 0.57 3.32 -0.83 -0.57 116.42 118.51 1n8i h ASP 498 Ca 0.05 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 1n8i h ASP 498 Cb 0.13 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1n8i h ASP 498 CO -0.01 0.06 0.14 0.00 -1.72 0.00 0.00 179.24 177.72 1n8i h ALA 499 N 1.29 0.75 -0.14 3.45 0.00 -1.23 0.41 119.26 123.79 1n8i h ALA 499 Ca 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1n8i h ALA 499 Cb 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1n8i h ALA 499 CO -0.23 0.46 0.04 0.78 0.00 0.00 0.00 179.25 180.29 1n8i h GLY 500 N 0.82 0.23 1.13 0.00 0.00 -1.06 -1.00 103.07 103.19 1n8i h GLY 500 Ca 0.18 -0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 1n8i h GLY 500 CO 0.00 0.13 0.10 1.41 0.00 0.00 0.00 176.54 178.18 1n8i h LEU 501 N 0.03 1.01 -1.67 3.11 3.38 -1.04 -0.78 115.31 119.34 1n8i h LEU 501 Ca 0.04 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1n8i h LEU 501 Cb 0.24 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1n8i h LEU 501 CO -0.00 1.01 -0.19 0.00 0.09 0.00 0.00 178.44 179.35 1n8i h ALA 502 N 1.10 1.49 -0.06 1.53 0.00 -0.80 -1.26 119.26 121.26 1n8i h ALA 502 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n8i h ALA 502 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1n8i h ALA 502 CO 0.01 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.50 1n8i n ALA 503 N -2.41 2.59 -1.45 0.00 0.00 -0.39 -4.73 120.51 114.11 1n8i n ALA 503 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1n8i n ALA 503 Cb 0.27 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1n8i n ALA 503 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8i n GLY 504 N 1.00 0.43 0.35 0.00 0.00 -0.48 -1.28 105.19 105.22 1n8i n GLY 504 Ca 0.17 -0.94 -0.01 0.00 0.00 0.00 0.00 46.02 45.24 1n8i n GLY 504 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1n8i h PHE 505 N 0.00 1.03 -1.83 1.61 -1.00 -1.33 -3.38 116.94 112.04 1n8i h PHE 505 Ca 0.00 -0.01 -0.61 0.00 2.81 0.00 0.00 57.97 60.16 1n8i h PHE 505 Cb 0.50 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.72 1n8i h PHE 505 CO 0.00 0.70 1.31 0.45 -1.61 0.00 0.00 178.31 179.16 1n8i n SER 506 N -4.37 3.16 0.00 2.17 2.88 -1.26 0.51 113.62 116.71 1n8i n SER 506 Ca 0.08 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1n8i n SER 506 Cb 0.08 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.12 1n8i n SER 506 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n8i n GLY 507 N 5.35 0.92 0.00 0.46 0.00 -1.20 -4.84 105.19 105.88 1n8i n GLY 507 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1n8i n GLY 507 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n8i n ARG 508 N -2.00 1.06 -3.71 1.61 1.74 0.18 -4.62 116.66 110.92 1n8i n ARG 508 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1n8i n ARG 508 Cb 0.00 -0.86 -0.06 0.00 -1.02 0.00 0.00 32.46 30.52 1n8i n ARG 508 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n8i s ALA 509 N -1.72 -0.76 0.36 7.54 0.00 0.12 -4.40 121.76 122.90 1n8i s ALA 509 Ca 0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 51.96 51.68 1n8i s ALA 509 Cb 0.00 0.45 -0.10 0.00 0.00 0.00 0.00 23.12 23.48 1n8i s ALA 509 CO 0.00 -0.50 1.00 -0.65 0.00 0.00 0.00 175.76 175.61 1n8i s GLN 510 N -3.07 4.39 -0.34 0.00 -0.21 0.11 -4.34 119.66 116.19 1n8i s GLN 510 Ca -0.01 1.43 -0.00 0.00 0.02 0.00 0.00 55.36 56.79 1n8i s GLN 510 Cb 0.01 -2.68 0.08 0.00 1.00 0.00 0.00 33.01 31.42 1n8i s GLN 510 CO -0.07 0.08 0.06 0.08 -2.12 0.00 0.00 175.29 173.32 1n8i s VAL 511 N -1.63 2.83 0.27 1.09 1.01 -1.26 -2.34 120.40 120.36 1n8i s VAL 511 Ca 0.54 -1.82 0.10 0.00 0.00 0.00 0.00 61.98 60.79 1n8i s VAL 511 Cb -0.20 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1n8i s VAL 511 CO 0.26 -0.38 -0.01 -0.83 0.00 0.00 0.00 175.10 174.14 1n8i s GLY 512 N 1.33 1.68 0.38 4.51 0.00 -0.02 -0.54 107.32 114.66 1n8i s GLY 512 Ca 0.02 -1.67 0.04 0.00 0.00 0.00 0.00 44.72 43.10 1n8i s GLY 512 CO -0.04 -1.74 0.07 0.54 0.00 0.00 0.00 173.10 171.94 1n8i s LYS 513 N -3.67 1.83 1.35 2.90 1.02 -0.71 -1.87 119.74 120.59 1n8i s LYS 513 Ca 0.32 -2.07 -0.21 0.00 0.02 0.00 0.00 55.97 54.02 1n8i s LYS 513 Cb -0.06 -0.92 0.34 0.00 -0.52 0.00 0.00 37.83 36.68 1n8i s LYS 513 CO 0.20 -0.29 0.97 0.20 -0.92 0.00 0.00 175.35 175.51 1n8i s GLY 514 N -3.59 1.46 0.42 -3.33 0.00 -1.20 -2.09 107.32 98.98 1n8i s GLY 514 Ca 0.29 -0.75 -0.19 0.00 0.00 0.00 0.00 44.72 44.06 1n8i s GLY 514 CO 0.14 0.20 0.91 -0.29 0.00 0.00 0.00 173.10 174.05 1n8i s MET 515 N -5.05 4.14 -0.37 2.90 1.75 -1.26 -2.68 119.30 118.73 1n8i s MET 515 Ca 0.69 1.00 -0.11 0.00 -1.25 0.00 0.00 55.69 56.02 1n8i s MET 515 Cb -0.14 -2.23 0.03 0.00 2.84 0.00 0.00 34.83 35.33 1n8i s MET 515 CO 0.58 -0.02 0.20 -0.46 -0.65 0.00 0.00 175.02 174.68 1n8i s TRP 516 N -2.20 3.24 -1.07 4.11 -0.11 -1.20 -4.97 118.94 116.75 1n8i s TRP 516 Ca 0.60 -0.97 0.26 0.00 1.22 0.00 0.00 56.10 57.21 1n8i s TRP 516 Cb -0.09 -2.44 0.60 0.00 -1.50 0.00 0.00 33.47 30.04 1n8i s TRP 516 CO 0.16 -0.65 1.48 0.25 -4.62 0.00 0.00 176.95 173.58 1n8i n THR 517 N 4.99 0.00 -2.74 5.86 -2.24 -1.26 -4.28 114.28 114.62 1n8i n THR 517 Ca -0.12 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.22 1n8i n THR 517 Cb 0.46 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1n8i n THR 517 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1n8i n MET 518 N -1.43 3.37 -0.19 -0.78 2.81 -1.26 -0.37 117.12 119.27 1n8i n MET 518 Ca 0.06 -3.66 0.30 0.00 -1.81 0.00 0.00 57.70 52.59 1n8i n MET 518 Cb 0.34 -3.10 0.70 0.00 -0.71 0.00 0.00 33.22 30.45 1n8i n MET 518 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1n8i h THR 519 N 4.58 0.32 0.00 2.03 1.35 -1.79 -1.68 112.91 117.73 1n8i h THR 519 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.22 1n8i h THR 519 Cb 0.82 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1n8i h THR 519 CO 1.37 0.00 -1.34 -0.62 -0.25 0.00 0.00 175.52 174.68 1n8i n GLU 520 N -3.88 0.48 -2.28 4.72 -0.58 -1.26 -4.64 120.64 113.19 1n8i n GLU 520 Ca 0.20 -0.08 -0.43 0.00 -0.42 0.00 0.00 57.16 56.44 1n8i n GLU 520 Cb 1.12 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.53 1n8i n GLU 520 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1n8i n LEU 521 N -1.77 6.59 0.08 -4.62 4.77 -0.63 -4.59 117.00 116.83 1n8i n LEU 521 Ca 0.01 -4.55 -0.05 0.00 -0.03 0.00 0.00 56.01 51.39 1n8i n LEU 521 Cb 0.40 -1.52 -0.03 0.00 -2.33 0.00 0.00 43.42 39.95 1n8i n LEU 521 CO 0.42 1.29 0.25 0.24 -1.33 0.00 0.00 177.39 178.26 1n8i h MET 522 N 5.88 0.00 -0.41 3.23 2.86 -1.82 -2.12 114.93 122.55 1n8i h MET 522 Ca 0.42 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 58.00 1n8i h MET 522 Cb 0.65 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 1n8i h MET 522 CO 1.64 0.87 0.03 0.00 1.06 0.00 0.00 176.91 180.51 1n8i h ALA 523 N 1.13 0.55 -0.61 6.32 0.00 -1.83 -0.55 119.26 124.26 1n8i h ALA 523 Ca -0.01 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1n8i h ALA 523 Cb 1.56 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1n8i h ALA 523 CO 0.11 0.31 0.07 -0.44 0.00 0.00 0.00 179.25 179.30 1n8i h ASP 524 N 0.54 0.99 -0.47 0.00 3.32 -1.93 -1.83 116.42 117.05 1n8i h ASP 524 Ca 0.12 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1n8i h ASP 524 Cb 0.44 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1n8i h ASP 524 CO 0.02 1.02 0.25 -0.03 -1.72 0.00 0.00 179.24 178.77 1n8i h MET 525 N 0.93 0.67 -0.50 3.56 4.05 -1.13 -0.65 114.93 121.85 1n8i h MET 525 Ca 0.18 -0.09 -0.04 0.00 -0.28 0.00 0.00 59.70 59.48 1n8i h MET 525 Cb 0.47 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 1n8i h MET 525 CO 0.02 0.54 0.15 0.28 0.23 0.00 0.00 176.91 178.13 1n8i h VAL 526 N 0.62 1.20 0.01 -5.77 2.07 -0.94 0.18 116.25 113.63 1n8i h VAL 526 Ca 0.16 -0.69 -0.22 0.00 0.82 0.00 0.00 66.70 66.78 1n8i h VAL 526 Cb 0.08 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1n8i h VAL 526 CO -0.02 0.26 -0.94 -0.33 0.02 0.00 0.00 177.57 176.56 1n8i h GLU 527 N 0.72 0.29 0.00 1.57 5.08 -0.96 -3.41 114.58 117.87 1n8i h GLU 527 Ca 0.17 -0.33 -0.13 0.00 -1.00 0.00 0.00 59.36 58.06 1n8i h GLU 527 Cb 0.22 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1n8i h GLU 527 CO -0.01 1.04 -1.63 0.25 -1.00 0.00 0.00 179.01 177.66 1n8i n THR 528 N -3.68 0.50 0.55 1.13 -2.24 -0.28 -4.56 114.28 105.70 1n8i n THR 528 Ca -0.05 -0.38 0.06 0.00 -2.27 0.00 0.00 64.05 61.41 1n8i n THR 528 Cb 0.84 -0.47 0.30 0.00 -2.10 0.00 0.00 70.33 68.90 1n8i n THR 528 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1n8i n LYS 529 N -2.24 0.15 0.29 -0.78 4.81 0.63 -2.08 118.16 118.94 1n8i n LYS 529 Ca -0.12 0.19 0.19 0.00 -0.87 0.00 0.00 58.31 57.69 1n8i n LYS 529 Cb 0.68 -1.50 0.84 0.00 0.02 0.00 0.00 35.03 35.07 1n8i n LYS 529 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 1n8i h ILE 530 N 0.00 0.00 -0.15 3.15 2.10 -1.79 -2.57 117.51 118.25 1n8i h ILE 530 Ca 0.00 -0.33 0.03 0.00 1.08 0.00 0.00 64.86 65.64 1n8i h ILE 530 Cb 0.13 1.30 -0.01 0.00 -1.09 0.00 0.00 36.82 37.15 1n8i h ILE 530 CO 0.00 0.00 0.10 0.00 -1.08 0.00 0.00 178.15 177.17 1n8i h ALA 531 N 2.02 2.06 0.45 0.18 0.00 -1.76 -2.24 119.26 119.97 1n8i h ALA 531 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1n8i h ALA 531 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1n8i h ALA 531 CO 0.00 -0.09 -0.22 1.96 0.00 0.00 0.00 179.25 180.90 1n8i h GLN 532 N 0.06 -0.58 0.00 0.00 4.20 -1.71 -1.10 115.11 115.97 1n8i h GLN 532 Ca 0.07 0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 1n8i h GLN 532 Cb 0.19 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 1n8i h GLN 532 CO -0.01 -0.28 -0.12 -1.00 -0.67 0.00 0.00 178.83 176.75 1n8i h PRO 533 N -0.98 0.00 0.00 1.46 0.13 -1.72 0.14 132.00 131.03 1n8i h PRO 533 Ca -0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 1n8i h PRO 533 Cb 0.57 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.70 1n8i h PRO 533 CO 0.10 0.12 -0.06 0.00 -0.23 0.00 0.00 178.00 177.93 1n8i h ARG 534 N 0.00 0.00 -0.41 0.86 3.08 -1.29 -0.54 114.38 116.09 1n8i h ARG 534 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1n8i h ARG 534 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1n8i h ARG 534 CO 0.02 0.06 0.00 0.00 -1.07 0.00 0.00 179.97 178.97 1n8i n ALA 535 N -2.17 2.48 -0.83 0.04 0.00 0.46 -4.90 120.51 115.58 1n8i n ALA 535 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1n8i n ALA 535 Cb 0.23 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1n8i n ALA 535 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8i n GLY 536 N 1.08 0.49 3.66 0.00 0.00 -0.21 -4.96 105.19 105.26 1n8i n GLY 536 Ca 0.13 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 1n8i n GLY 536 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8i s ALA 537 N -2.00 3.54 -1.43 4.61 0.00 -1.06 -4.79 121.76 120.63 1n8i s ALA 537 Ca 0.00 -0.18 0.26 0.00 0.00 0.00 0.00 51.96 52.04 1n8i s ALA 537 Cb 0.00 -3.06 1.30 0.00 0.00 0.00 0.00 23.12 21.36 1n8i s ALA 537 CO 0.00 -0.60 1.87 -1.13 0.00 0.00 0.00 175.76 175.89 1n8i n SER 538 N 5.15 0.00 -3.50 0.00 3.41 0.30 -4.29 113.62 114.69 1n8i n SER 538 Ca 0.01 -0.08 -0.09 0.00 -0.26 0.00 0.00 58.87 58.44 1n8i n SER 538 Cb 0.49 -0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 64.14 1n8i n SER 538 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1n8i s THR 539 N -2.57 0.00 0.05 6.66 -1.32 -1.18 -0.92 115.64 116.37 1n8i s THR 539 Ca 0.24 -0.08 -0.20 0.00 -1.21 0.00 0.00 61.69 60.44 1n8i s THR 539 Cb 0.17 -1.10 0.05 0.00 -1.51 0.00 0.00 72.50 70.11 1n8i s THR 539 CO 0.39 0.00 0.47 0.00 -2.21 0.00 0.00 174.62 173.28 1n8i s ALA 540 N -3.40 -1.19 0.15 11.08 0.00 -1.26 -1.74 121.76 125.41 1n8i s ALA 540 Ca 0.04 0.45 -0.29 0.00 0.00 0.00 0.00 51.96 52.17 1n8i s ALA 540 Cb -0.01 0.40 -0.07 0.00 0.00 0.00 0.00 23.12 23.44 1n8i s ALA 540 CO -0.09 -0.50 0.90 -1.58 0.00 0.00 0.00 175.76 174.48 1n8i s TRP 541 N -2.57 3.88 0.09 0.00 0.52 -0.89 -0.89 118.94 119.08 1n8i s TRP 541 Ca -0.05 1.77 0.08 0.00 0.02 0.00 0.00 56.10 57.93 1n8i s TRP 541 Cb -0.01 -2.95 -0.03 0.00 -1.15 0.00 0.00 33.47 29.33 1n8i s TRP 541 CO -0.03 0.35 -0.22 0.14 0.02 0.00 0.00 176.95 177.21 1n8i s VAL 542 N -0.58 1.80 -0.79 4.03 -7.23 -0.85 -3.26 120.40 113.52 1n8i s VAL 542 Ca 0.42 -1.49 0.26 0.00 -1.81 0.00 0.00 61.98 59.36 1n8i s VAL 542 Cb -0.24 -1.61 0.19 0.00 0.56 0.00 0.00 36.38 35.29 1n8i s VAL 542 CO 0.29 0.04 1.66 -0.81 -0.31 0.00 0.00 175.10 175.97 1n8i n PRO 543 N 1.25 0.19 -3.83 4.82 -0.04 -1.26 -3.37 135.00 132.77 1n8i n PRO 543 Ca -0.19 0.12 -0.07 0.00 -0.04 0.00 0.00 63.50 63.32 1n8i n PRO 543 Cb 0.53 -1.69 -0.02 0.00 -0.04 0.00 0.00 33.50 32.29 1n8i n PRO 543 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1n8i s SER 544 N -4.01 -0.28 0.25 3.54 1.04 -1.26 -4.88 113.70 108.10 1n8i s SER 544 Ca 0.10 -0.57 -0.06 0.00 0.48 0.00 0.00 55.95 55.90 1n8i s SER 544 Cb 0.14 0.72 0.26 0.00 0.10 0.00 0.00 66.02 67.24 1n8i s SER 544 CO 0.62 -1.33 1.93 -0.65 0.98 0.00 0.00 173.24 174.79 1n8i h PRO 545 N 2.00 1.32 -0.13 4.02 0.11 -1.93 0.42 132.00 137.80 1n8i h PRO 545 Ca -0.20 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 1n8i h PRO 545 Cb 1.25 -0.30 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1n8i h PRO 545 CO 0.24 0.88 0.07 1.15 -0.21 0.00 0.00 178.00 180.13 1n8i h THR 546 N 1.36 1.09 -0.19 -1.15 2.02 -1.97 -1.35 112.91 112.72 1n8i h THR 546 Ca 0.37 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 1n8i h THR 546 Cb -0.15 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1n8i h THR 546 CO -0.08 0.08 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1n8i h ALA 547 N 0.98 1.66 -0.42 6.16 0.00 -1.81 -1.65 119.26 124.19 1n8i h ALA 547 Ca 0.05 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1n8i h ALA 547 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1n8i h ALA 547 CO -0.01 0.26 -0.06 0.00 0.00 0.00 0.00 179.25 179.44 1n8i h ALA 548 N 1.74 0.57 -0.51 0.00 0.00 -0.32 0.57 119.26 121.32 1n8i h ALA 548 Ca 0.06 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1n8i h ALA 548 Cb 0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1n8i h ALA 548 CO 0.00 0.42 -0.04 1.15 0.00 0.00 0.00 179.25 180.78 1n8i h THR 549 N 0.61 1.26 -0.05 0.00 2.02 -0.73 -1.01 112.91 115.00 1n8i h THR 549 Ca 0.11 -1.13 -0.22 0.00 0.77 0.00 0.00 66.41 65.94 1n8i h THR 549 Cb 0.58 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1n8i h THR 549 CO 0.03 0.40 -0.86 -0.07 0.37 0.00 0.00 175.52 175.39 1n8i h LEU 550 N 0.82 0.67 -1.03 2.58 3.38 -1.19 -3.11 115.31 117.43 1n8i h LEU 550 Ca 0.15 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 1n8i h LEU 550 Cb 0.55 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1n8i h LEU 550 CO 0.03 1.27 -0.45 -0.74 0.09 0.00 0.00 178.44 178.64 1n8i h HIS 551 N 0.34 0.00 -0.77 1.13 2.76 -0.78 -2.70 115.15 115.12 1n8i h HIS 551 Ca -0.07 0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.22 1n8i h HIS 551 Cb 1.48 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.39 1n8i h HIS 551 CO 0.07 0.45 0.51 0.00 -1.30 0.00 0.00 177.93 177.65 1n8i h ALA 552 N 1.55 1.89 -0.87 5.26 0.00 -1.11 -0.82 119.26 125.16 1n8i h ALA 552 Ca -0.00 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.08 1n8i h ALA 552 Cb 0.86 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.42 1n8i h ALA 552 CO 0.06 -0.07 0.41 -0.07 0.00 0.00 0.00 179.25 179.58 1n8i h LEU 553 N 0.61 0.43 -1.32 0.00 3.38 -1.55 -1.12 115.31 115.74 1n8i h LEU 553 Ca 0.37 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.53 1n8i h LEU 553 Cb 0.59 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 1n8i h LEU 553 CO -0.14 0.11 0.51 0.45 0.09 0.00 0.00 178.44 179.47 1n8i h HIS 554 N 0.51 0.83 0.00 1.13 3.86 -1.31 -1.21 115.15 118.97 1n8i h HIS 554 Ca 0.51 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.74 1n8i h HIS 554 Cb 0.85 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1n8i h HIS 554 CO -0.11 0.42 0.00 0.66 0.86 0.00 0.00 177.93 179.76 1n8i n TYR 555 N -4.49 0.57 0.04 2.45 4.02 -0.43 -0.59 117.16 118.73 1n8i n TYR 555 Ca 0.12 0.19 -0.02 0.00 -0.01 0.00 0.00 57.90 58.18 1n8i n TYR 555 Cb 0.25 -0.81 -0.09 0.00 -0.02 0.00 0.00 39.34 38.67 1n8i n TYR 555 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1n8i h HIS 556 N 0.00 0.00 0.04 -0.72 3.86 -1.17 -3.34 115.15 113.82 1n8i h HIS 556 Ca 0.00 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.93 1n8i h HIS 556 Cb 0.50 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 1n8i h HIS 556 CO 0.00 0.71 -1.51 1.96 0.86 0.00 0.00 177.93 179.95 1n8i h GLN 557 N 0.00 0.08 -5.26 2.45 4.20 -1.05 -3.46 115.11 112.07 1n8i h GLN 557 Ca -0.16 -0.14 -0.65 0.00 0.06 0.00 0.00 58.65 57.77 1n8i h GLN 557 Cb 1.68 0.05 -0.25 0.00 0.30 0.00 0.00 27.48 29.26 1n8i h GLN 557 CO 0.06 0.82 -0.72 0.08 -0.67 0.00 0.00 178.83 178.41 1n8i s VAL 558 N -2.63 3.46 -1.16 -0.54 1.01 0.24 -5.04 120.40 115.74 1n8i s VAL 558 Ca -0.06 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 1n8i s VAL 558 Cb 0.08 -2.50 0.16 0.00 0.00 0.00 0.00 36.38 34.12 1n8i s VAL 558 CO 0.83 0.49 1.39 -0.62 0.00 0.00 0.00 175.10 177.19 1n8i s ASP 559 N 0.54 6.98 0.28 3.32 -1.08 -1.26 -4.58 116.67 120.87 1n8i s ASP 559 Ca -0.05 -2.80 0.01 0.00 -0.52 0.00 0.00 52.55 49.19 1n8i s ASP 559 Cb -0.15 -2.41 0.63 0.00 -1.46 0.00 0.00 42.92 39.53 1n8i s ASP 559 CO 0.03 -0.82 1.72 0.58 0.52 0.00 0.00 175.17 177.20 1n8i h VAL 560 N 4.91 0.58 -0.94 1.11 2.07 -1.87 0.69 116.25 122.80 1n8i h VAL 560 Ca 0.29 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.72 1n8i h VAL 560 Cb 0.90 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 1n8i h VAL 560 CO 1.23 0.09 0.61 0.00 0.02 0.00 0.00 177.57 179.51 1n8i h ALA 561 N 1.64 1.50 -0.10 1.67 0.00 -1.96 0.12 119.26 122.13 1n8i h ALA 561 Ca 0.51 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 55.18 1n8i h ALA 561 Cb 0.87 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1n8i h ALA 561 CO -0.46 0.35 -0.83 0.00 0.00 0.00 0.00 179.25 178.31 1n8i h ALA 562 N 1.50 0.34 -0.64 0.00 0.00 -1.36 -2.48 119.26 116.62 1n8i h ALA 562 Ca 0.41 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1n8i h ALA 562 Cb 0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1n8i h ALA 562 CO -0.16 0.71 0.31 0.28 0.00 0.00 0.00 179.25 180.39 1n8i h VAL 563 N 0.44 1.22 -0.48 0.00 2.07 -0.02 -1.67 116.25 117.81 1n8i h VAL 563 Ca -0.06 -0.62 -0.10 0.00 0.82 0.00 0.00 66.70 66.74 1n8i h VAL 563 Cb 1.45 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1n8i h VAL 563 CO 0.16 0.25 -0.09 1.56 0.02 0.00 0.00 177.57 179.48 1n8i h GLN 564 N 0.89 0.86 -0.86 1.57 4.20 -0.82 -2.19 115.11 118.76 1n8i h GLN 564 Ca 0.22 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 1n8i h GLN 564 Cb 0.12 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 1n8i h GLN 564 CO -0.03 0.92 0.42 1.96 -0.67 0.00 0.00 178.83 181.43 1n8i h GLN 565 N 0.78 1.23 0.00 1.46 4.20 -1.08 -1.30 115.11 120.41 1n8i h GLN 565 Ca 0.13 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1n8i h GLN 565 Cb 0.59 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1n8i h GLN 565 CO 0.04 0.94 0.00 0.78 -0.67 0.00 0.00 178.83 179.92 1n8i h GLY 566 N 1.23 0.00 0.54 3.46 0.00 -0.95 -3.09 103.07 104.25 1n8i h GLY 566 Ca 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 1n8i h GLY 566 CO -0.04 0.00 -1.55 1.04 0.00 0.00 0.00 176.54 175.99 1n8i n LEU 567 N -2.77 0.46 -4.59 3.11 4.77 -0.86 -4.92 117.00 112.20 1n8i n LEU 567 Ca 0.02 0.19 -0.57 0.00 -0.03 0.00 0.00 56.01 55.61 1n8i n LEU 567 Cb 0.34 0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.38 1n8i n LEU 567 CO 0.27 -0.01 0.86 0.00 -1.33 0.00 0.00 177.39 177.18 1n8i n ALA 568 N -2.29 -1.93 0.00 -1.18 0.00 -0.54 -0.98 120.51 113.59 1n8i n ALA 568 Ca -0.05 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1n8i n ALA 568 Cb 0.65 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1n8i n ALA 568 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8i n GLY 569 N 2.52 3.10 3.76 0.00 0.00 -1.26 -5.03 105.19 108.28 1n8i n GLY 569 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1n8i n GLY 569 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n8i s LYS 570 N -0.46 4.69 -0.32 1.61 1.02 -0.15 -5.02 119.74 121.10 1n8i s LYS 570 Ca 0.00 1.73 0.02 0.00 0.02 0.00 0.00 55.97 57.74 1n8i s LYS 570 Cb 0.00 -3.22 0.08 0.00 -0.52 0.00 0.00 37.83 34.18 1n8i s LYS 570 CO 0.00 0.27 0.02 0.50 -0.92 0.00 0.00 175.35 175.22 1n8i s ARG 571 N -1.31 1.89 0.00 1.68 3.52 -1.26 -4.82 118.95 118.65 1n8i s ARG 571 Ca 0.44 -1.65 0.19 0.00 -0.13 0.00 0.00 55.73 54.58 1n8i s ARG 571 Cb -0.30 -3.17 0.10 0.00 -1.56 0.00 0.00 34.95 30.01 1n8i s ARG 571 CO 0.39 -0.82 1.05 0.54 -0.81 0.00 0.00 175.30 175.65 1n8i n ARG 572 N 4.40 1.64 -4.22 5.12 1.74 -1.26 -4.95 116.66 119.13 1n8i n ARG 572 Ca -0.04 -1.37 -0.17 0.00 -0.77 0.00 0.00 57.85 55.49 1n8i n ARG 572 Cb 0.42 -1.36 -0.15 0.00 -1.02 0.00 0.00 32.46 30.35 1n8i n ARG 572 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n8i s ALA 573 N -1.81 0.56 0.29 7.54 0.00 -1.26 -4.96 121.76 122.13 1n8i s ALA 573 Ca 0.20 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 51.98 1n8i s ALA 573 Cb 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 1n8i s ALA 573 CO 0.33 0.10 0.44 0.95 0.00 0.00 0.00 175.76 177.58 1n8i s THR 574 N 0.08 4.90 0.45 0.00 -4.23 -1.26 -4.98 115.64 110.60 1n8i s THR 574 Ca -0.01 -0.86 0.18 0.00 -1.18 0.00 0.00 61.69 59.82 1n8i s THR 574 Cb -0.05 -3.74 0.21 0.00 1.34 0.00 0.00 72.50 70.26 1n8i s THR 574 CO -0.00 -0.34 2.02 -0.29 -0.54 0.00 0.00 174.62 175.47 1n8i h ILE 575 N 0.98 0.99 -0.33 2.99 6.09 -2.01 -2.44 117.51 123.78 1n8i h ILE 575 Ca -0.50 -0.58 -0.05 0.00 -1.37 0.00 0.00 64.86 62.36 1n8i h ILE 575 Cb 1.23 1.32 -0.01 0.00 0.47 0.00 0.00 36.82 39.84 1n8i h ILE 575 CO 0.59 0.16 0.02 -0.33 -3.07 0.00 0.00 178.15 175.52 1n8i h GLU 576 N 0.00 0.57 -0.56 2.19 3.07 -1.96 -1.64 114.58 116.25 1n8i h GLU 576 Ca -0.00 -0.17 -0.02 0.00 -0.50 0.00 0.00 59.36 58.67 1n8i h GLU 576 Cb 0.31 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.14 1n8i h GLU 576 CO 0.02 0.68 0.29 1.96 -1.40 0.00 0.00 179.01 180.55 1n8i h GLN 577 N 0.38 0.79 -0.94 2.33 4.20 -1.84 -2.11 115.11 117.91 1n8i h GLN 577 Ca 0.10 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1n8i h GLN 577 Cb 0.41 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 1n8i h GLN 577 CO 0.01 0.63 0.60 -0.07 -0.67 0.00 0.00 178.83 179.33 1n8i h LEU 578 N 0.75 1.11 -0.67 1.46 3.38 -1.33 -2.43 115.31 117.57 1n8i h LEU 578 Ca 0.19 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1n8i h LEU 578 Cb 0.08 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1n8i h LEU 578 CO -0.03 0.82 0.00 0.18 0.09 0.00 0.00 178.44 179.50 1n8i n LEU 579 N -4.37 1.00 -4.55 1.67 4.77 -0.63 -4.79 117.00 110.10 1n8i n LEU 579 Ca 0.11 -0.45 -0.38 0.00 -0.03 0.00 0.00 56.01 55.25 1n8i n LEU 579 Cb 0.03 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1n8i n LEU 579 CO 0.37 0.23 1.39 -0.89 -1.33 0.00 0.00 177.39 177.17 1n8i s THR 580 N -1.82 3.58 0.19 -5.08 2.01 -0.83 -4.96 115.64 108.74 1n8i s THR 580 Ca 0.23 0.07 -0.32 0.00 0.31 0.00 0.00 61.69 61.98 1n8i s THR 580 Cb 0.12 -4.46 -0.11 0.00 0.01 0.00 0.00 72.50 68.05 1n8i s THR 580 CO 0.17 -1.40 1.68 -0.63 -0.69 0.00 0.00 174.62 173.75 1n8i s ILE 581 N 7.44 2.20 0.00 1.82 1.01 -1.26 -4.14 121.20 128.27 1n8i s ILE 581 Ca 0.53 0.14 -0.03 0.00 0.00 0.00 0.00 60.65 61.29 1n8i s ILE 581 Cb -0.08 -3.09 -0.13 0.00 0.01 0.00 0.00 42.46 39.17 1n8i s ILE 581 CO 0.11 0.01 2.01 -0.81 0.00 0.00 0.00 174.94 176.27 1n8i n PRO 582 N 4.03 0.98 -2.27 2.79 -0.04 -1.26 -4.91 135.00 134.32 1n8i n PRO 582 Ca 0.15 -0.47 -0.41 0.00 -0.04 0.00 0.00 63.50 62.73 1n8i n PRO 582 Cb 0.36 -1.72 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 1n8i n PRO 582 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n8i s LEU 583 N 0.00 4.45 0.37 1.53 1.02 -1.26 -1.78 118.68 123.02 1n8i s LEU 583 Ca 0.32 2.43 -0.25 0.00 0.02 0.00 0.00 54.13 56.65 1n8i s LEU 583 Cb 0.15 -3.62 -0.09 0.00 0.02 0.00 0.00 46.19 42.64 1n8i s LEU 583 CO 0.00 -0.42 1.02 0.00 0.02 0.00 0.00 176.35 176.96 1n8i s ALA 584 N -0.56 3.13 0.69 4.21 0.00 0.33 -4.70 121.76 124.86 1n8i s ALA 584 Ca 0.51 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 53.00 1n8i s ALA 584 Cb -0.36 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.53 1n8i s ALA 584 CO 0.43 -0.08 1.08 0.15 0.00 0.00 0.00 175.76 177.34 1n8i s LYS 585 N -2.37 2.93 0.50 0.00 -0.14 -1.26 -4.89 119.74 114.51 1n8i s LYS 585 Ca 0.55 0.45 -0.23 0.00 -1.36 0.00 0.00 55.97 55.38 1n8i s LYS 585 Cb -0.21 -2.05 -0.07 0.00 -1.68 0.00 0.00 37.83 33.83 1n8i s LYS 585 CO 0.26 -0.97 1.30 -1.91 -0.76 0.00 0.00 175.35 173.28 1n8i n GLU 586 N -2.95 1.78 -4.20 1.68 4.07 -1.26 -2.68 120.64 117.08 1n8i n GLU 586 Ca 0.07 0.65 -0.30 0.00 -0.06 0.00 0.00 57.16 57.51 1n8i n GLU 586 Cb 0.57 -2.48 -0.07 0.00 -0.06 0.00 0.00 31.44 29.39 1n8i n GLU 586 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1n8i n LEU 587 N -0.45 -1.29 0.11 4.31 4.32 -1.26 -4.86 117.00 117.88 1n8i n LEU 587 Ca 0.09 -1.20 -0.18 0.00 -0.02 0.00 0.00 56.01 54.69 1n8i n LEU 587 Cb 0.43 -1.77 -0.14 0.00 -1.62 0.00 0.00 43.42 40.31 1n8i n LEU 587 CO 0.56 0.47 -0.15 0.00 -1.22 0.00 0.00 177.39 177.06 1n8i h ALA 588 N 0.84 0.06 -2.14 -1.18 0.00 -1.90 -3.47 119.26 111.46 1n8i h ALA 588 Ca -0.65 -0.92 -0.61 0.00 0.00 0.00 0.00 54.91 52.73 1n8i h ALA 588 Cb 1.39 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 19.15 1n8i h ALA 588 CO 0.68 0.93 -0.73 -1.58 0.00 0.00 0.00 179.25 178.55 1n8i s TRP 589 N -2.64 2.35 0.18 0.00 0.51 -1.26 -5.07 118.94 113.02 1n8i s TRP 589 Ca -0.06 -0.36 0.06 0.00 -2.12 0.00 0.00 56.10 53.61 1n8i s TRP 589 Cb 0.06 -1.10 -0.04 0.00 -0.81 0.00 0.00 33.47 31.58 1n8i s TRP 589 CO 0.89 0.68 0.12 0.00 -0.51 0.00 0.00 176.95 178.13 1n8i s ALA 590 N -2.52 3.51 0.27 0.98 0.00 -1.26 -4.96 121.76 117.79 1n8i s ALA 590 Ca 0.31 -1.28 -0.05 0.00 0.00 0.00 0.00 51.96 50.94 1n8i s ALA 590 Cb -0.03 -1.29 0.52 0.00 0.00 0.00 0.00 23.12 22.31 1n8i s ALA 590 CO 0.16 0.46 1.59 -1.35 0.00 0.00 0.00 175.76 176.62 1n8i h PRO 591 N 2.29 0.03 -0.24 0.00 0.11 -2.01 0.36 132.00 132.56 1n8i h PRO 591 Ca -0.48 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1n8i h PRO 591 Cb 1.21 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1n8i h PRO 591 CO 0.62 0.02 -0.05 0.38 -0.21 0.00 0.00 178.00 178.76 1n8i h ASP 592 N 0.03 0.34 0.07 -2.05 3.04 -1.99 -1.41 116.42 114.45 1n8i h ASP 592 Ca 0.48 -0.06 -0.18 0.00 -3.24 0.00 0.00 57.03 54.03 1n8i h ASP 592 Cb 0.85 -0.09 -0.00 0.00 -1.04 0.00 0.00 39.33 39.05 1n8i h ASP 592 CO -0.85 0.44 -0.64 -0.33 -2.04 0.00 0.00 179.24 175.82 1n8i h GLU 593 N 0.35 0.55 -0.28 4.15 5.08 -0.71 -1.49 114.58 122.22 1n8i h GLU 593 Ca 0.08 -0.39 -0.16 0.00 -1.00 0.00 0.00 59.36 57.88 1n8i h GLU 593 Cb 0.32 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1n8i h GLU 593 CO 0.01 1.01 -0.44 0.82 -1.00 0.00 0.00 179.01 179.41 1n8i h ILE 594 N 0.40 1.29 -0.07 3.13 2.04 -0.94 -2.41 117.51 120.96 1n8i h ILE 594 Ca -0.01 -1.63 0.02 0.00 1.00 0.00 0.00 64.86 64.23 1n8i h ILE 594 Cb 1.21 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 1n8i h ILE 594 CO 0.12 0.53 -0.03 -0.09 0.00 0.00 0.00 178.15 178.68 1n8i h ARG 595 N 0.56 -0.02 -0.63 2.37 2.43 -1.21 -1.50 114.38 116.38 1n8i h ARG 595 Ca 0.02 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1n8i h ARG 595 Cb 1.05 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.56 1n8i h ARG 595 CO 0.10 -0.02 0.39 1.49 -1.51 0.00 0.00 179.97 180.43 1n8i h GLU 596 N -0.02 0.74 -0.75 0.20 4.81 -1.25 -0.94 114.58 117.36 1n8i h GLU 596 Ca 0.04 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1n8i h GLU 596 Cb 0.08 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 1n8i h GLU 596 CO -0.08 0.49 0.45 1.49 -0.73 0.00 0.00 179.01 180.63 1n8i h GLU 597 N 0.76 1.02 -0.07 1.92 4.57 -1.13 -0.05 114.58 121.60 1n8i h GLU 597 Ca 0.26 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.33 1n8i h GLU 597 Cb 0.03 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.41 1n8i h GLU 597 CO -0.11 0.72 -0.02 0.28 -1.18 0.00 0.00 179.01 178.71 1n8i h VAL 598 N 1.02 1.30 -0.48 0.32 2.07 -0.82 -1.59 116.25 118.07 1n8i h VAL 598 Ca 0.27 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1n8i h VAL 598 Cb -0.03 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1n8i h VAL 598 CO -0.05 0.26 0.29 0.44 0.02 0.00 0.00 177.57 178.53 1n8i h ASP 599 N -0.21 0.58 -0.06 0.57 3.32 -1.08 -0.36 116.42 119.17 1n8i h ASP 599 Ca 0.02 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.02 1n8i h ASP 599 Cb 0.42 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1n8i h ASP 599 CO 0.01 0.47 -0.02 -1.13 -1.72 0.00 0.00 179.24 176.85 1n8i h ASN 600 N 0.64 -0.07 -0.53 6.45 -0.00 -1.00 0.17 115.58 121.24 1n8i h ASN 600 Ca 0.17 0.02 -0.05 0.00 -0.00 0.00 0.00 56.30 56.44 1n8i h ASN 600 Cb -0.00 0.04 -0.03 0.00 -0.00 0.00 0.00 38.32 38.34 1n8i h ASN 600 CO -0.03 -0.03 0.14 0.78 -0.00 0.00 0.00 177.43 178.30 1n8i h ASN 601 N -0.01 0.83 -0.24 1.15 2.35 -1.10 -1.00 115.58 117.57 1n8i h ASN 601 Ca 0.03 -0.15 -0.15 0.00 -0.55 0.00 0.00 56.30 55.48 1n8i h ASN 601 Cb 0.06 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1n8i h ASN 601 CO -0.07 0.81 -0.39 0.00 -1.65 0.00 0.00 177.43 176.13 1n8i h GLN 603 N 0.64 0.65 -0.54 0.00 5.75 -0.39 0.13 115.11 121.35 1n8i h GLN 603 Ca 0.05 -0.09 -0.05 0.00 -0.15 0.00 0.00 58.65 58.41 1n8i h GLN 603 Cb 0.94 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.35 1n8i h GLN 603 CO 0.09 0.54 0.14 1.03 -2.65 0.00 0.00 178.83 177.98 1n8i h SER 604 N 0.59 0.82 -0.16 -0.69 0.87 -1.04 -1.11 113.55 112.83 1n8i h SER 604 Ca 0.16 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.45 1n8i h SER 604 Cb 0.10 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1n8i h SER 604 CO -0.02 0.84 -0.02 0.40 -0.53 0.00 0.00 176.83 177.49 1n8i h ILE 605 N 0.77 1.27 -0.45 2.23 2.04 -0.81 -2.83 117.51 119.73 1n8i h ILE 605 Ca 0.17 -0.94 -0.08 0.00 1.00 0.00 0.00 64.86 65.02 1n8i h ILE 605 Cb 0.33 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1n8i h ILE 605 CO 0.00 0.28 -0.02 -0.07 0.00 0.00 0.00 178.15 178.34 1n8i h LEU 606 N 0.02 0.80 -0.75 1.44 3.38 -0.72 -0.66 115.31 118.82 1n8i h LEU 606 Ca 0.04 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1n8i h LEU 606 Cb 0.43 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1n8i h LEU 606 CO 0.01 0.93 0.47 1.23 0.09 0.00 0.00 178.44 181.17 1n8i h GLY 607 N 0.65 1.08 0.34 0.83 0.00 -1.25 -1.83 103.07 102.89 1n8i h GLY 607 Ca 0.12 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1n8i h GLY 607 CO 0.03 0.42 -0.05 -1.82 0.00 0.00 0.00 176.54 175.11 1n8i h TYR 608 N 1.02 -0.14 -0.68 5.60 3.20 -1.46 -3.34 116.97 121.18 1n8i h TYR 608 Ca 0.27 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 1n8i h TYR 608 Cb -0.07 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 1n8i h TYR 608 CO -0.01 0.36 0.41 0.28 -1.64 0.00 0.00 178.16 177.55 1n8i h VAL 609 N -0.81 1.19 -0.86 1.81 2.07 -1.11 -2.21 116.25 116.33 1n8i h VAL 609 Ca -0.02 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1n8i h VAL 609 Cb 0.56 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1n8i h VAL 609 CO 0.03 0.20 0.43 1.62 0.02 0.00 0.00 177.57 179.86 1n8i h VAL 610 N 0.94 1.26 0.00 2.57 3.04 -1.47 -0.15 116.25 122.43 1n8i h VAL 610 Ca 0.25 -0.70 -0.09 0.00 -1.01 0.00 0.00 66.70 65.15 1n8i h VAL 610 Cb -0.04 0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 29.37 1n8i h VAL 610 CO -0.05 0.30 -0.43 0.03 -1.01 0.00 0.00 177.57 176.42 1n8i h ARG 611 N 1.21 0.00 0.25 4.17 3.08 -1.62 -2.22 114.38 119.25 1n8i h ARG 611 Ca 0.30 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 1n8i h ARG 611 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1n8i h ARG 611 CO -0.04 0.43 -0.12 2.35 -1.07 0.00 0.00 179.97 181.52 1n8i h TRP 612 N 0.00 -0.31 -0.10 3.04 7.01 -0.76 -1.32 115.95 123.52 1n8i h TRP 612 Ca -0.00 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 60.93 1n8i h TRP 612 Cb 1.16 0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 28.32 1n8i h TRP 612 CO 0.00 0.06 -0.15 0.28 -2.79 0.00 0.00 178.44 175.84 1n8i h VAL 613 N -0.90 1.38 0.10 2.65 2.07 -1.13 -1.53 116.25 118.89 1n8i h VAL 613 Ca -0.03 -1.40 -0.26 0.00 0.82 0.00 0.00 66.70 65.83 1n8i h VAL 613 Cb 0.50 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1n8i h VAL 613 CO 0.06 0.40 -1.18 0.44 0.02 0.00 0.00 177.57 177.31 1n8i h ASP 614 N -0.16 0.43 0.00 0.57 5.19 -1.57 -3.40 116.42 117.48 1n8i h ASP 614 Ca 0.01 -0.44 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1n8i h ASP 614 Cb 0.72 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.09 1n8i h ASP 614 CO 0.04 1.32 0.00 0.00 -3.12 0.00 0.00 179.24 177.47 1n8i n GLN 615 N -3.57 0.21 -2.60 3.56 6.02 -1.01 -5.02 117.38 114.97 1n8i n GLN 615 Ca -0.08 -0.79 -0.17 0.00 -0.01 0.00 0.00 57.00 55.95 1n8i n GLN 615 Cb 0.98 -0.99 0.01 0.00 1.02 0.00 0.00 30.24 31.26 1n8i n GLN 615 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n8i n GLY 616 N -0.15 -0.26 3.40 1.08 0.00 -0.58 -4.96 105.19 103.72 1n8i n GLY 616 Ca 0.00 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1n8i n GLY 616 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n8i s VAL 617 N -2.92 4.30 -2.18 1.61 1.01 -0.54 -4.25 120.40 117.42 1n8i s VAL 617 Ca 0.13 -0.54 0.18 0.00 0.00 0.00 0.00 61.98 61.75 1n8i s VAL 617 Cb -0.06 -3.20 0.42 0.00 0.00 0.00 0.00 36.38 33.54 1n8i s VAL 617 CO 0.16 0.08 1.48 0.61 0.00 0.00 0.00 175.10 177.43 1n8i n GLY 618 N 4.93 0.26 3.32 4.51 0.00 -1.25 -3.14 105.19 113.82 1n8i n GLY 618 Ca -0.14 -0.38 -0.07 0.00 0.00 0.00 0.00 46.02 45.43 1n8i n GLY 618 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8i s SER 620 N 2.68 0.63 -0.34 0.00 0.01 -1.08 -4.98 113.70 110.62 1n8i s SER 620 Ca -0.01 -0.84 -0.18 0.00 1.31 0.00 0.00 55.95 56.22 1n8i s SER 620 Cb -0.12 0.13 -0.01 0.00 0.21 0.00 0.00 66.02 66.24 1n8i s SER 620 CO -0.14 -0.46 0.53 -0.54 0.41 0.00 0.00 173.24 173.04 1n8i s LYS 621 N -3.09 3.70 -0.16 12.44 1.02 -1.26 -0.40 119.74 131.99 1n8i s LYS 621 Ca 0.01 -0.05 0.01 0.00 0.02 0.00 0.00 55.97 55.96 1n8i s LYS 621 Cb 0.01 -3.78 0.02 0.00 -0.52 0.00 0.00 37.83 33.56 1n8i s LYS 621 CO -0.06 -0.61 -0.18 0.08 -0.92 0.00 0.00 175.35 173.66 1n8i s VAL 622 N 2.43 1.86 0.25 3.17 1.01 0.82 -4.85 120.40 125.08 1n8i s VAL 622 Ca 0.20 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 1n8i s VAL 622 Cb -0.15 -1.69 -0.09 0.00 0.00 0.00 0.00 36.38 34.44 1n8i s VAL 622 CO 0.13 0.51 1.32 -2.84 0.00 0.00 0.00 175.10 174.22 1n8i s PRO 623 N 1.23 4.37 0.12 2.72 0.02 -1.26 -1.58 135.00 140.63 1n8i s PRO 623 Ca 0.02 2.12 -0.02 0.00 0.02 0.00 0.00 61.00 63.15 1n8i s PRO 623 Cb -0.14 -3.15 0.03 0.00 0.02 0.00 0.00 34.50 31.26 1n8i s PRO 623 CO -0.09 -0.24 0.16 -0.40 -0.33 0.00 0.00 177.00 176.10 1n8i n ASP 624 N 2.04 0.05 0.29 2.53 5.68 -0.46 -4.78 116.55 121.91 1n8i n ASP 624 Ca 0.04 -1.08 0.19 0.00 -0.50 0.00 0.00 54.79 53.44 1n8i n ASP 624 Cb 0.42 -0.12 1.01 0.00 -1.14 0.00 0.00 41.12 41.29 1n8i n ASP 624 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1n8i h ILE 625 N -0.92 0.00 -0.59 2.12 2.10 -1.91 0.29 117.51 118.60 1n8i h ILE 625 Ca -0.05 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.84 1n8i h ILE 625 Cb 0.15 0.91 0.00 0.00 -1.09 0.00 0.00 36.82 36.79 1n8i h ILE 625 CO 0.04 0.00 0.00 1.41 -1.08 0.00 0.00 178.15 178.52 1n8i n HIS 626 N -2.85 0.78 -1.22 2.19 8.25 -1.26 -4.93 115.22 116.18 1n8i n HIS 626 Ca -0.02 -0.39 -0.08 0.00 -0.26 0.00 0.00 57.72 56.97 1n8i n HIS 626 Cb 0.08 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 1n8i n HIS 626 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1n8i n ASP 627 N 1.46 -4.66 -4.70 0.41 4.64 0.10 -4.99 116.55 108.82 1n8i n ASP 627 Ca 0.22 0.19 -0.41 0.00 -1.38 0.00 0.00 54.79 53.41 1n8i n ASP 627 Cb 0.58 -2.82 -0.04 0.00 -1.04 0.00 0.00 41.12 37.79 1n8i n ASP 627 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1n8i s VAL 628 N -2.03 4.96 -0.26 5.18 1.01 -1.26 -4.67 120.40 123.33 1n8i s VAL 628 Ca 0.00 1.63 -0.29 0.00 0.00 0.00 0.00 61.98 63.32 1n8i s VAL 628 Cb 0.00 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1n8i s VAL 628 CO 0.00 0.17 1.84 0.00 0.00 0.00 0.00 175.10 177.10 1n8i s ALA 629 N 1.25 2.99 -0.09 5.51 0.00 -1.26 -1.35 121.76 128.80 1n8i s ALA 629 Ca 0.41 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1n8i s ALA 629 Cb -0.18 -3.97 -0.03 0.00 0.00 0.00 0.00 23.12 18.94 1n8i s ALA 629 CO 0.18 -2.43 -0.09 -0.51 0.00 0.00 0.00 175.76 172.92 1n8i s LEU 630 N 6.57 3.02 -0.20 0.00 1.43 -0.61 -3.32 118.68 125.57 1n8i s LEU 630 Ca 0.82 -0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 53.50 1n8i s LEU 630 Cb -0.26 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.30 1n8i s LEU 630 CO 0.33 0.28 1.02 -0.32 0.23 0.00 0.00 176.35 177.90 1n8i s MET 631 N -0.35 4.30 -0.11 1.70 -2.45 0.50 -0.13 119.30 122.76 1n8i s MET 631 Ca 0.04 1.35 -0.04 0.00 -1.25 0.00 0.00 55.69 55.80 1n8i s MET 631 Cb -0.12 -3.62 -0.03 0.00 1.25 0.00 0.00 34.83 32.30 1n8i s MET 631 CO 0.02 -0.55 0.03 -1.21 1.05 0.00 0.00 175.02 174.36 1n8i s GLU 632 N 2.90 3.29 0.33 4.11 0.41 0.47 -4.92 118.70 125.28 1n8i s GLU 632 Ca 0.45 -0.36 0.03 0.00 -0.41 0.00 0.00 54.97 54.67 1n8i s GLU 632 Cb -0.16 -2.94 -0.01 0.00 -1.78 0.00 0.00 34.13 29.25 1n8i s GLU 632 CO 0.09 0.60 0.38 -0.40 -0.49 0.00 0.00 175.26 175.43 1n8i n ASP 633 N 2.49 -1.02 0.04 -0.19 5.75 -1.26 -2.64 116.55 119.72 1n8i n ASP 633 Ca -0.18 -2.97 0.06 0.00 -0.01 0.00 0.00 54.79 51.69 1n8i n ASP 633 Cb 0.53 2.06 0.48 0.00 -1.03 0.00 0.00 41.12 43.17 1n8i n ASP 633 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1n8i h ARG 634 N 0.00 0.40 -0.29 0.11 3.08 -1.72 -1.68 114.38 114.27 1n8i h ARG 634 Ca -0.25 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.71 1n8i h ARG 634 Cb 1.15 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1n8i h ARG 634 CO 0.34 0.27 -0.10 0.00 -1.07 0.00 0.00 179.97 179.42 1n8i h ALA 635 N 1.78 0.41 -0.45 0.04 0.00 -1.95 0.64 119.26 119.73 1n8i h ALA 635 Ca 0.14 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1n8i h ALA 635 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1n8i h ALA 635 CO -0.03 0.25 0.12 1.79 0.00 0.00 0.00 179.25 181.38 1n8i h THR 636 N 0.34 1.20 -0.27 0.00 1.35 -1.80 -1.68 112.91 112.04 1n8i h THR 636 Ca 0.07 -0.69 -0.07 0.00 -0.55 0.00 0.00 66.41 65.18 1n8i h THR 636 Cb 0.59 0.73 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 1n8i h THR 636 CO 0.03 0.25 -0.08 0.25 -0.25 0.00 0.00 175.52 175.72 1n8i h LEU 637 N 0.66 0.55 -1.15 3.87 5.85 -0.97 -2.16 115.31 121.95 1n8i h LEU 637 Ca 0.15 -0.38 0.08 0.00 0.84 0.00 0.00 57.88 58.58 1n8i h LEU 637 Cb 0.23 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 1n8i h LEU 637 CO -0.00 0.80 0.59 -0.09 -0.34 0.00 0.00 178.44 179.40 1n8i h ARG 638 N 0.29 0.94 0.19 1.25 2.43 0.10 -1.01 114.38 118.57 1n8i h ARG 638 Ca 0.07 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1n8i h ARG 638 Cb 0.57 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1n8i h ARG 638 CO 0.03 0.62 -0.09 0.82 -1.51 0.00 0.00 179.97 179.84 1n8i h ILE 639 N 0.97 0.90 -0.43 1.20 2.04 -1.18 -1.51 117.51 119.50 1n8i h ILE 639 Ca 0.41 -0.79 0.05 0.00 1.00 0.00 0.00 64.86 65.53 1n8i h ILE 639 Cb 0.31 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 1n8i h ILE 639 CO -0.17 0.17 0.18 0.28 0.00 0.00 0.00 178.15 178.61 1n8i h SER 640 N -0.67 0.22 -0.47 1.72 0.02 -1.12 0.11 113.55 113.36 1n8i h SER 640 Ca -0.03 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 1n8i h SER 640 Cb 0.48 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1n8i h SER 640 CO 0.04 0.17 -0.17 0.77 -1.14 0.00 0.00 176.83 176.50 1n8i h SER 641 N 0.37 0.98 -0.05 3.07 4.64 -1.27 -2.46 113.55 118.83 1n8i h SER 641 Ca 0.20 -0.35 -0.15 0.00 -0.47 0.00 0.00 61.79 61.01 1n8i h SER 641 Cb 0.15 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1n8i h SER 641 CO -0.17 1.13 -0.49 1.56 -0.87 0.00 0.00 176.83 177.98 1n8i h GLN 642 N 0.85 0.61 0.08 4.77 1.08 -0.89 -0.33 115.11 121.29 1n8i h GLN 642 Ca 0.12 -0.36 -0.00 0.00 -1.45 0.00 0.00 58.65 56.96 1n8i h GLN 642 Cb 0.73 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 1n8i h GLN 642 CO 0.06 0.97 -0.04 1.25 -0.95 0.00 0.00 178.83 180.11 1n8i h LEU 643 N 0.48 -0.09 -0.93 1.46 7.12 -0.74 0.84 115.31 123.45 1n8i h LEU 643 Ca 0.02 -0.14 -0.05 0.00 0.13 0.00 0.00 57.88 57.85 1n8i h LEU 643 Cb 1.03 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 41.16 1n8i h LEU 643 CO 0.10 0.08 0.23 -0.07 -0.13 0.00 0.00 178.44 178.65 1n8i h LEU 644 N -0.26 0.94 -1.15 2.25 3.38 -1.43 0.11 115.31 119.16 1n8i h LEU 644 Ca -0.01 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1n8i h LEU 644 Cb 0.22 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1n8i h LEU 644 CO 0.02 0.86 0.21 0.00 0.09 0.00 0.00 178.44 179.62 1n8i h ALA 645 N 1.27 1.33 -0.20 1.53 0.00 -0.84 0.44 119.26 122.78 1n8i h ALA 645 Ca 0.22 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 1n8i h ALA 645 Cb 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1n8i h ALA 645 CO -0.01 0.50 -0.64 -0.97 0.00 0.00 0.00 179.25 178.13 1n8i h ASN 646 N 0.80 0.83 0.17 0.00 -0.73 0.24 -0.21 115.58 116.68 1n8i h ASN 646 Ca 0.19 -0.49 -0.15 0.00 1.87 0.00 0.00 56.30 57.72 1n8i h ASN 646 Cb 0.17 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.51 1n8i h ASN 646 CO -0.02 1.26 -0.57 -0.50 -0.37 0.00 0.00 177.43 177.23 1n8i h TRP 647 N 0.53 0.53 -0.21 0.67 4.06 -0.47 -2.55 115.95 118.51 1n8i h TRP 647 Ca -0.01 -0.19 -0.17 0.00 2.06 0.00 0.00 58.89 60.57 1n8i h TRP 647 Cb 1.24 -0.10 -0.00 0.00 -1.00 0.00 0.00 29.16 29.30 1n8i h TRP 647 CO 0.07 0.89 -0.57 1.25 -3.56 0.00 0.00 178.44 176.52 1n8i h LEU 648 N 0.32 0.73 -1.63 -4.49 5.85 -0.88 -0.41 115.31 114.80 1n8i h LEU 648 Ca 0.00 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.28 1n8i h LEU 648 Cb 1.10 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1n8i h LEU 648 CO 0.10 1.14 -0.19 -0.09 -0.34 0.00 0.00 178.44 179.07 1n8i h ARG 649 N 0.50 0.00 -0.31 1.25 9.65 -0.88 -3.12 114.38 121.47 1n8i h ARG 649 Ca 0.01 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.85 1n8i h ARG 649 Cb 1.14 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.69 1n8i h ARG 649 CO 0.11 0.19 0.01 0.72 2.80 0.00 0.00 179.97 183.80 1n8i n HIS 650 N -4.29 1.07 -0.96 2.20 8.25 -0.97 -4.97 115.22 115.55 1n8i n HIS 650 Ca -0.02 -1.00 0.00 0.00 -0.26 0.00 0.00 57.72 56.44 1n8i n HIS 650 Cb 0.25 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 31.00 1n8i n HIS 650 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n8i n GLY 651 N -0.56 0.37 0.28 -1.41 0.00 -1.15 -4.88 105.19 97.83 1n8i n GLY 651 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 1n8i n GLY 651 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n8i h VAL 652 N 0.00 1.23 -4.24 1.61 2.07 -1.34 -3.44 116.25 112.13 1n8i h VAL 652 Ca 0.00 -0.93 -0.16 0.00 0.82 0.00 0.00 66.70 66.43 1n8i h VAL 652 Cb 0.31 0.94 -0.15 0.00 -1.52 0.00 0.00 31.29 30.88 1n8i h VAL 652 CO 0.00 0.32 -0.67 0.27 0.02 0.00 0.00 177.57 177.51 1n8i s ILE 653 N -4.94 0.25 0.44 4.57 -4.36 -1.16 -5.02 121.20 110.98 1n8i s ILE 653 Ca -0.08 -1.86 0.08 0.00 -0.26 0.00 0.00 60.65 58.52 1n8i s ILE 653 Cb 0.15 -1.73 0.01 0.00 1.25 0.00 0.00 42.46 42.14 1n8i s ILE 653 CO 0.79 -0.79 0.54 0.42 0.24 0.00 0.00 174.94 176.14 1n8i s THR 654 N -3.92 2.77 0.19 8.37 -4.23 -1.26 -4.47 115.64 113.09 1n8i s THR 654 Ca 0.14 -1.10 0.28 0.00 -1.18 0.00 0.00 61.69 59.83 1n8i s THR 654 Cb 0.07 -2.87 0.30 0.00 1.34 0.00 0.00 72.50 71.34 1n8i s THR 654 CO -0.05 0.00 1.93 0.77 -0.54 0.00 0.00 174.62 176.73 1n8i h SER 655 N 0.69 0.00 -0.15 3.99 4.64 -2.00 -2.14 113.55 118.58 1n8i h SER 655 Ca -0.39 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.73 1n8i h SER 655 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1n8i h SER 655 CO 0.48 0.14 -0.66 0.00 -0.87 0.00 0.00 176.83 175.91 1n8i h ALA 656 N 1.86 0.44 -0.53 5.18 0.00 -1.99 -1.82 119.26 122.40 1n8i h ALA 656 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1n8i h ALA 656 Cb 0.58 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1n8i h ALA 656 CO 0.02 0.69 0.35 -0.44 0.00 0.00 0.00 179.25 179.87 1n8i h ASP 657 N 0.56 0.61 0.17 0.00 3.32 -1.78 0.56 116.42 119.86 1n8i h ASP 657 Ca -0.02 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1n8i h ASP 657 Cb 1.27 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1n8i h ASP 657 CO 0.14 0.45 -0.08 0.58 -1.72 0.00 0.00 179.24 178.61 1n8i h VAL 658 N 0.72 0.89 -0.48 -1.35 2.07 -1.42 -1.55 116.25 115.14 1n8i h VAL 658 Ca 0.19 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.50 1n8i h VAL 658 Cb -0.07 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1n8i h VAL 658 CO -0.04 0.06 0.18 -0.09 0.02 0.00 0.00 177.57 177.71 1n8i h ARG 659 N -0.36 0.36 -0.62 1.57 9.65 -1.10 -1.06 114.38 122.81 1n8i h ARG 659 Ca -0.02 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 1n8i h ARG 659 Cb 0.28 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.75 1n8i h ARG 659 CO 0.04 0.24 0.25 0.00 2.80 0.00 0.00 179.97 183.30 1n8i h ALA 660 N 1.30 1.27 -0.09 2.80 0.00 -0.79 -0.56 119.26 123.19 1n8i h ALA 660 Ca 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1n8i h ALA 660 Cb 0.21 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1n8i h ALA 660 CO -0.22 0.54 -0.03 1.03 0.00 0.00 0.00 179.25 180.57 1n8i h SER 661 N 0.89 0.18 -0.64 0.00 0.87 -0.72 0.44 113.55 114.59 1n8i h SER 661 Ca 0.21 -0.39 0.05 0.00 -1.23 0.00 0.00 61.79 60.44 1n8i h SER 661 Cb 0.17 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.03 1n8i h SER 661 CO -0.02 0.53 0.36 -0.07 -0.53 0.00 0.00 176.83 177.09 1n8i h LEU 662 N -0.16 0.54 -0.70 2.23 3.38 -0.96 0.27 115.31 119.91 1n8i h LEU 662 Ca 0.02 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1n8i h LEU 662 Cb 0.45 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1n8i h LEU 662 CO 0.01 0.36 -0.04 -0.33 0.09 0.00 0.00 178.44 178.52 1n8i h GLU 663 N 0.67 0.00 0.19 1.13 5.08 -1.03 -0.01 114.58 120.61 1n8i h GLU 663 Ca 0.28 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.34 1n8i h GLU 663 Cb 0.15 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.42 1n8i h GLU 663 CO -0.17 0.04 -1.41 -0.09 -1.00 0.00 0.00 179.01 176.39 1n8i h ARG 664 N 0.00 0.39 0.00 2.33 2.43 0.21 -3.37 114.38 116.37 1n8i h ARG 664 Ca -0.00 -0.67 -0.19 0.00 -0.81 0.00 0.00 59.98 58.31 1n8i h ARG 664 Cb 0.80 0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 30.57 1n8i h ARG 664 CO 0.01 1.32 -0.97 0.52 -1.51 0.00 0.00 179.97 179.34 1n8i h MET 665 N -0.06 0.00 -0.51 0.20 2.86 -0.50 -3.37 114.93 113.54 1n8i h MET 665 Ca -0.27 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.47 1n8i h MET 665 Cb 1.96 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 33.53 1n8i h MET 665 CO 0.18 0.79 -0.10 0.00 1.06 0.00 0.00 176.91 178.84 1n8i h ALA 666 N 1.15 0.37 -0.36 6.32 0.00 -1.15 -1.30 119.26 124.30 1n8i h ALA 666 Ca -0.04 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1n8i h ALA 666 Cb 1.69 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 1n8i h ALA 666 CO 0.10 -0.43 0.20 -1.35 0.00 0.00 0.00 179.25 177.77 1n8i h PRO 667 N 0.03 0.48 -0.38 0.00 0.11 -1.76 -1.35 132.00 129.12 1n8i h PRO 667 Ca 0.25 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.25 1n8i h PRO 667 Cb 0.38 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1n8i h PRO 667 CO -0.50 0.36 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.55 1n8i h LEU 668 N 0.49 0.68 -0.99 2.35 3.38 -1.46 -1.98 115.31 117.78 1n8i h LEU 668 Ca 0.13 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1n8i h LEU 668 Cb 0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1n8i h LEU 668 CO -0.02 0.84 0.21 0.58 0.09 0.00 0.00 178.44 180.13 1n8i h VAL 669 N 0.51 1.23 -0.78 1.22 2.07 -0.79 -0.37 116.25 119.34 1n8i h VAL 669 Ca 0.11 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1n8i h VAL 669 Cb 0.50 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1n8i h VAL 669 CO 0.02 0.30 0.37 0.44 0.02 0.00 0.00 177.57 178.72 1n8i h ASP 670 N 0.91 1.01 0.07 0.57 3.32 -1.04 -2.60 116.42 118.67 1n8i h ASP 670 Ca 0.21 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1n8i h ASP 670 Cb 0.24 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1n8i h ASP 670 CO -0.01 0.86 -0.03 -0.09 -1.72 0.00 0.00 179.24 178.24 1n8i h ARG 671 N 1.11 -0.09 -0.07 3.56 2.43 -0.58 -2.73 114.38 118.01 1n8i h ARG 671 Ca 0.27 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.46 1n8i h ARG 671 Cb 0.12 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1n8i h ARG 671 CO -0.03 0.14 0.16 1.96 -1.51 0.00 0.00 179.97 180.70 1n8i h GLN 672 N -0.32 0.00 0.00 0.20 4.20 -0.90 -3.51 115.11 114.77 1n8i h GLN 672 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1n8i h GLN 672 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1n8i h GLN 672 CO 0.02 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.27 1n8i n ASN 673 N -3.31 0.68 0.00 1.46 4.13 -1.00 -5.10 115.26 112.12 1n8i n ASN 673 Ca -0.01 -0.81 0.00 0.00 1.68 0.00 0.00 54.58 55.44 1n8i n ASN 673 Cb 0.25 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.49 1n8i n ASN 673 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1n8i n ALA 678 N -3.00 0.00 -2.16 5.41 0.00 -1.26 -5.02 120.51 114.48 1n8i n ALA 678 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1n8i n ALA 678 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1n8i n ALA 678 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1n8i s TYR 679 N 0.00 3.84 -0.35 0.00 5.04 -1.26 -4.92 117.35 119.70 1n8i s TYR 679 Ca 0.00 1.45 -0.03 0.00 -2.44 0.00 0.00 57.07 56.05 1n8i s TYR 679 Cb 0.00 -2.66 0.07 0.00 0.35 0.00 0.00 41.96 39.72 1n8i s TYR 679 CO 0.00 0.51 0.10 1.03 -1.34 0.00 0.00 175.55 175.85 1n8i s ARG 680 N -0.98 2.33 0.29 4.97 0.52 -1.26 -5.09 118.95 119.73 1n8i s ARG 680 Ca 0.33 -1.44 -0.29 0.00 -0.52 0.00 0.00 55.73 53.81 1n8i s ARG 680 Cb -0.21 -3.40 -0.14 0.00 0.52 0.00 0.00 34.95 31.72 1n8i s ARG 680 CO 0.23 -0.80 1.14 -2.30 0.02 0.00 0.00 175.30 173.59 1n8i n PRO 681 N 4.66 1.61 0.04 3.54 -0.02 -1.26 -4.93 135.00 138.65 1n8i n PRO 681 Ca -0.09 0.57 -0.18 0.00 -2.02 0.00 0.00 63.50 61.77 1n8i n PRO 681 Cb 0.43 -2.03 -0.14 0.00 -0.02 0.00 0.00 33.50 31.74 1n8i n PRO 681 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1n8i h MET 682 N 2.49 0.26 -6.84 -0.52 2.86 -1.93 -3.46 114.93 107.78 1n8i h MET 682 Ca -0.42 -0.44 -0.49 0.00 -2.06 0.00 0.00 59.70 56.28 1n8i h MET 682 Cb 1.32 0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.14 1n8i h MET 682 CO 0.63 1.11 0.12 0.00 1.06 0.00 0.00 176.91 179.84 1n8i s ALA 683 N -2.59 3.33 0.06 6.32 0.00 -1.26 -2.60 121.76 125.02 1n8i s ALA 683 Ca -0.14 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 51.74 1n8i s ALA 683 Cb 0.07 -2.73 -0.23 0.00 0.00 0.00 0.00 23.12 20.23 1n8i s ALA 683 CO 0.83 0.03 1.05 -1.35 0.00 0.00 0.00 175.76 176.32 1n8i h PRO 684 N 1.40 0.05 -5.01 0.00 0.11 -2.02 -3.47 132.00 123.06 1n8i h PRO 684 Ca -0.47 -0.08 -0.72 0.00 0.11 0.00 0.00 66.00 64.84 1n8i h PRO 684 Cb 1.19 0.03 -0.13 0.00 0.11 0.00 0.00 31.00 32.20 1n8i h PRO 684 CO 0.64 0.89 1.87 0.09 -0.21 0.00 0.00 178.00 181.29 1n8i n ASN 685 N -3.29 5.01 -0.35 -2.05 3.02 -1.24 -4.83 115.26 111.52 1n8i n ASN 685 Ca -0.07 -2.96 0.03 0.00 -0.03 0.00 0.00 54.58 51.55 1n8i n ASN 685 Cb 0.99 -1.64 0.17 0.00 -0.61 0.00 0.00 39.78 38.69 1n8i n ASN 685 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1n8i h PHE 686 N 7.09 1.12 0.00 3.10 -1.00 -1.86 -2.47 116.94 122.92 1n8i h PHE 686 Ca 0.39 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.20 1n8i h PHE 686 Cb 0.83 -0.36 0.00 0.00 3.61 0.00 0.00 35.95 40.03 1n8i h PHE 686 CO 1.27 0.55 0.00 -0.25 -1.61 0.00 0.00 178.31 178.27 1n8i n ASP 687 N -4.56 0.00 -0.02 2.17 9.92 -1.26 -1.46 116.55 121.35 1n8i n ASP 687 Ca 0.15 -0.76 0.08 0.00 -0.53 0.00 0.00 54.79 53.74 1n8i n ASP 687 Cb 0.21 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.59 1n8i n ASP 687 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1n8i n ASP 688 N -0.89 0.87 -4.59 -2.24 10.43 -0.93 -4.90 116.55 114.30 1n8i n ASP 688 Ca 0.12 -0.93 -0.40 0.00 2.57 0.00 0.00 54.79 56.14 1n8i n ASP 688 Cb 0.05 0.98 -0.08 0.00 1.84 0.00 0.00 41.12 43.92 1n8i n ASP 688 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1n8i s SER 689 N -2.65 6.35 0.27 -2.24 0.15 -0.53 -4.95 113.70 110.10 1n8i s SER 689 Ca 0.07 0.26 -0.03 0.00 0.70 0.00 0.00 55.95 56.95 1n8i s SER 689 Cb 0.13 -2.26 0.36 0.00 -1.71 0.00 0.00 66.02 62.54 1n8i s SER 689 CO 0.72 -0.34 1.90 0.40 1.20 0.00 0.00 173.24 177.11 1n8i h ILE 690 N 5.48 1.23 -0.47 6.45 2.04 -1.90 -0.64 117.51 129.70 1n8i h ILE 690 Ca -0.29 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 1n8i h ILE 690 Cb 1.14 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1n8i h ILE 690 CO 0.72 0.26 0.13 0.00 0.00 0.00 0.00 178.15 179.26 1n8i h ALA 691 N 1.38 0.61 -0.56 1.87 0.00 -1.92 0.31 119.26 120.95 1n8i h ALA 691 Ca 0.27 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1n8i h ALA 691 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1n8i h ALA 691 CO -0.04 0.28 0.19 0.35 0.00 0.00 0.00 179.25 180.03 1n8i h PHE 692 N 0.62 0.89 -0.64 0.00 3.57 -1.73 -1.65 116.94 118.01 1n8i h PHE 692 Ca 0.15 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1n8i h PHE 692 Cb 0.30 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1n8i h PHE 692 CO 0.02 0.75 0.31 -0.07 -2.23 0.00 0.00 178.31 177.08 1n8i h LEU 693 N 0.78 0.81 -0.35 0.59 3.38 -0.79 -1.45 115.31 118.28 1n8i h LEU 693 Ca 0.18 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1n8i h LEU 693 Cb 0.26 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1n8i h LEU 693 CO -0.01 0.69 0.04 0.00 0.09 0.00 0.00 178.44 179.25 1n8i h ALA 694 N 1.44 0.47 -0.32 1.53 0.00 -0.55 0.50 119.26 122.33 1n8i h ALA 694 Ca 0.22 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1n8i h ALA 694 Cb 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1n8i h ALA 694 CO -0.03 0.19 0.14 0.00 0.00 0.00 0.00 179.25 179.56 1n8i h ALA 695 N 0.89 0.38 -0.73 0.00 0.00 -0.82 0.63 119.26 119.61 1n8i h ALA 695 Ca 0.10 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1n8i h ALA 695 Cb 0.39 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1n8i h ALA 695 CO 0.01 -0.24 0.25 0.37 0.00 0.00 0.00 179.25 179.64 1n8i h GLN 696 N 0.30 1.12 -0.47 0.00 4.15 -1.14 -2.97 115.11 116.10 1n8i h GLN 696 Ca 0.14 -0.23 -0.04 0.00 0.77 0.00 0.00 58.65 59.29 1n8i h GLN 696 Cb 0.07 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 1n8i h GLN 696 CO -0.11 0.94 0.14 1.49 -1.93 0.00 0.00 178.83 179.36 1n8i h GLU 697 N 1.07 0.73 -0.64 1.69 4.81 -0.25 -1.00 114.58 121.00 1n8i h GLU 697 Ca 0.24 -0.16 0.12 0.00 -0.13 0.00 0.00 59.36 59.42 1n8i h GLU 697 Cb 0.27 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 1n8i h GLU 697 CO -0.01 0.71 0.43 -0.07 -0.73 0.00 0.00 179.01 179.34 1n8i h LEU 698 N 0.62 0.36 0.00 1.64 3.38 -0.75 0.22 115.31 120.78 1n8i h LEU 698 Ca 0.15 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1n8i h LEU 698 Cb 0.29 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1n8i h LEU 698 CO -0.00 0.20 -0.25 0.40 0.09 0.00 0.00 178.44 178.88 1n8i h ILE 699 N 0.39 0.79 0.00 1.22 2.04 -1.36 -2.72 117.51 117.87 1n8i h ILE 699 Ca 0.30 -1.66 -0.05 0.00 1.00 0.00 0.00 64.86 64.45 1n8i h ILE 699 Cb 0.66 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1n8i h ILE 699 CO -0.09 0.27 -0.23 -0.07 0.00 0.00 0.00 178.15 178.03 1n8i h LEU 700 N -1.00 0.00 -2.45 1.44 3.38 -1.03 -2.60 115.31 113.05 1n8i h LEU 700 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1n8i h LEU 700 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1n8i h LEU 700 CO -0.03 0.23 0.00 -1.20 0.09 0.00 0.00 178.44 177.53 1n8i n SER 701 N -3.91 2.77 -0.32 -0.43 7.64 0.74 -4.65 113.62 115.48 1n8i n SER 701 Ca -0.02 -1.86 0.07 0.00 1.01 0.00 0.00 58.87 58.07 1n8i n SER 701 Cb 0.32 -0.19 0.22 0.00 -1.01 0.00 0.00 64.21 63.55 1n8i n SER 701 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1n8i h GLY 702 N 2.41 1.46 2.00 0.23 0.00 -1.12 -1.07 103.07 106.97 1n8i h GLY 702 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1n8i h GLY 702 CO 0.00 0.05 -0.15 0.00 0.00 0.00 0.00 176.54 176.44 1n8i h ALA 703 N 1.53 1.50 -0.00 3.60 0.00 -1.82 -2.75 119.26 121.33 1n8i h ALA 703 Ca 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1n8i h ALA 703 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1n8i h ALA 703 CO -0.31 0.19 -0.46 1.04 0.00 0.00 0.00 179.25 179.71 1n8i n GLN 704 N -4.00 0.17 -2.35 0.00 6.02 -0.43 -4.91 117.38 111.89 1n8i n GLN 704 Ca -0.02 -0.10 -0.38 0.00 -0.01 0.00 0.00 57.00 56.48 1n8i n GLN 704 Cb 0.24 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.97 1n8i n GLN 704 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1n8i s GLN 705 N -2.90 4.16 -0.10 -1.09 -1.52 -1.04 -4.91 119.66 112.26 1n8i s GLN 705 Ca 0.14 1.80 -0.30 0.00 -1.95 0.00 0.00 55.36 55.05 1n8i s GLN 705 Cb 0.18 -2.73 -0.07 0.00 -0.22 0.00 0.00 33.01 30.16 1n8i s GLN 705 CO 0.66 -0.22 2.10 -0.35 -0.25 0.00 0.00 175.29 177.23 1n8i n PRO 706 N 0.22 2.35 -2.12 2.91 -0.04 -1.26 -1.33 135.00 135.72 1n8i n PRO 706 Ca 0.04 0.77 -0.14 0.00 -0.04 0.00 0.00 63.50 64.12 1n8i n PRO 706 Cb 0.47 -3.09 -0.02 0.00 -0.04 0.00 0.00 33.50 30.82 1n8i n PRO 706 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1n8i n ASN 707 N 9.56 -4.17 -1.01 3.54 3.02 -1.26 -0.91 115.26 124.03 1n8i n ASN 707 Ca 0.26 0.21 -0.13 0.00 -0.03 0.00 0.00 54.58 54.89 1n8i n ASN 707 Cb 0.42 -3.62 -0.05 0.00 -0.61 0.00 0.00 39.78 35.92 1n8i n ASN 707 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n8i n GLY 708 N -0.67 1.25 3.76 7.41 0.00 -0.44 -4.72 105.19 111.77 1n8i n GLY 708 Ca -0.16 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1n8i n GLY 708 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n8i s TYR 709 N -2.49 3.35 -0.30 1.61 4.12 -0.09 -4.83 117.35 118.73 1n8i s TYR 709 Ca 0.00 1.54 0.23 0.00 0.02 0.00 0.00 57.07 58.86 1n8i s TYR 709 Cb 0.00 -3.46 0.07 0.00 -1.52 0.00 0.00 41.96 37.05 1n8i s TYR 709 CO 0.00 -1.16 1.14 1.79 0.02 0.00 0.00 175.55 177.33 1n8i h THR 710 N 3.17 0.00 -0.31 -0.71 1.35 -1.90 -3.40 112.91 111.11 1n8i h THR 710 Ca -0.47 -0.95 0.05 0.00 -0.55 0.00 0.00 66.41 64.50 1n8i h THR 710 Cb 1.22 1.51 -0.05 0.00 -1.73 0.00 0.00 68.15 69.10 1n8i h THR 710 CO 0.68 0.00 0.01 -0.33 -0.25 0.00 0.00 175.52 175.63 1n8i h GLU 711 N 0.00 0.10 -0.69 4.72 3.07 -1.96 -1.05 114.58 118.77 1n8i h GLU 711 Ca 0.00 -0.01 0.14 0.00 -0.50 0.00 0.00 59.36 58.99 1n8i h GLU 711 Cb 0.97 -0.02 -0.13 0.00 -0.84 0.00 0.00 28.75 28.73 1n8i h GLU 711 CO 0.00 0.07 -0.20 -1.35 -1.40 0.00 0.00 179.01 176.12 1n8i h PRO 712 N 0.10 -0.02 -0.05 2.33 0.11 -2.00 0.32 132.00 132.79 1n8i h PRO 712 Ca 0.15 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 1n8i h PRO 712 Cb 0.20 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1n8i h PRO 712 CO -0.24 -0.02 -0.11 0.82 -0.21 0.00 0.00 178.00 178.24 1n8i h ILE 713 N -0.03 1.43 -0.43 4.15 2.04 -1.81 -2.80 117.51 120.06 1n8i h ILE 713 Ca 0.32 -1.43 0.04 0.00 1.00 0.00 0.00 64.86 64.79 1n8i h ILE 713 Cb 0.52 2.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.82 1n8i h ILE 713 CO -0.72 0.39 0.19 -0.07 0.00 0.00 0.00 178.15 177.95 1n8i h LEU 714 N -0.35 0.26 -0.50 1.44 3.38 -0.53 -0.31 115.31 118.70 1n8i h LEU 714 Ca 0.00 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1n8i h LEU 714 Cb 0.69 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1n8i h LEU 714 CO 0.02 0.19 0.08 0.45 0.09 0.00 0.00 178.44 179.28 1n8i h HIS 715 N 0.39 0.88 -0.26 1.13 3.86 -0.48 -0.24 115.15 120.44 1n8i h HIS 715 Ca 0.19 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1n8i h HIS 715 Cb 0.13 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1n8i h HIS 715 CO -0.12 0.80 0.13 -0.09 0.86 0.00 0.00 177.93 179.52 1n8i h ARG 716 N 0.71 0.36 -0.48 2.45 2.43 -1.20 -1.11 114.38 117.54 1n8i h ARG 716 Ca 0.15 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.17 1n8i h ARG 716 Cb 0.39 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1n8i h ARG 716 CO 0.01 0.34 -0.13 0.00 -1.51 0.00 0.00 179.97 178.68 1n8i h ARG 717 N 0.30 0.90 -0.48 0.20 2.47 -0.96 -0.86 114.38 115.94 1n8i h ARG 717 Ca 0.09 -0.32 -0.05 0.00 -1.26 0.00 0.00 59.98 58.44 1n8i h ARG 717 Cb 0.09 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 1n8i h ARG 717 CO -0.01 0.97 0.11 -0.09 0.56 0.00 0.00 179.97 181.51 1n8i h ARG 718 N 0.80 0.77 -0.38 0.04 9.65 -0.90 -0.53 114.38 123.82 1n8i h ARG 718 Ca 0.13 -0.19 -0.09 0.00 -1.10 0.00 0.00 59.98 58.73 1n8i h ARG 718 Cb 0.66 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.12 1n8i h ARG 718 CO 0.05 0.75 -0.13 0.00 2.80 0.00 0.00 179.97 183.44 1n8i h ARG 719 N 0.65 0.69 -0.44 0.20 3.08 -1.07 -1.63 114.38 115.86 1n8i h ARG 719 Ca 0.15 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1n8i h ARG 719 Cb 0.33 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1n8i h ARG 719 CO 0.00 0.79 0.23 1.49 -1.07 0.00 0.00 179.97 181.42 1n8i h GLU 720 N 0.62 0.61 -0.15 0.04 4.81 -0.83 -0.51 114.58 119.18 1n8i h GLU 720 Ca 0.11 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1n8i h GLU 720 Cb 0.58 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1n8i h GLU 720 CO 0.04 0.50 0.10 0.35 -0.73 0.00 0.00 179.01 179.26 1n8i h PHE 721 N 0.57 0.18 -0.91 0.92 3.57 -0.76 -0.14 116.94 120.38 1n8i h PHE 721 Ca 0.15 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.71 1n8i h PHE 721 Cb 0.07 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.69 1n8i h PHE 721 CO -0.02 0.12 0.58 0.87 -2.23 0.00 0.00 178.31 177.63 1n8i h LYS 722 N 0.20 1.07 0.20 1.11 1.57 -1.06 0.15 116.57 119.81 1n8i h LYS 722 Ca 0.06 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1n8i h LYS 722 Cb -0.02 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.05 1n8i h LYS 722 CO -0.02 0.71 -0.10 0.00 -0.57 0.00 0.00 179.45 179.47 1n8i h ALA 723 N 1.40 -0.27 -0.59 3.86 0.00 -0.61 -1.15 119.26 121.89 1n8i h ALA 723 Ca 0.38 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1n8i h ALA 723 Cb 0.08 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1n8i h ALA 723 CO -0.14 -0.60 0.33 0.00 0.00 0.00 0.00 179.25 178.84 1n8i h ARG 724 N -0.39 0.60 0.00 0.00 2.47 -0.58 -0.75 114.38 115.74 1n8i h ARG 724 Ca -0.03 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.63 1n8i h ARG 724 Cb 0.30 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.48 1n8i h ARG 724 CO 0.05 0.40 -0.10 0.00 0.56 0.00 0.00 179.97 180.87 1n8i h ALA 725 N 1.30 1.33 0.00 0.04 0.00 -0.58 -2.53 119.26 118.82 1n8i h ALA 725 Ca 0.26 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1n8i h ALA 725 Cb 0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1n8i h ALA 725 CO -0.16 0.12 -0.66 0.00 0.00 0.00 0.00 179.25 178.55 1n8i h ALA 726 N 1.90 0.66 -0.02 0.00 0.00 0.15 -3.51 119.26 118.45 1n8i h ALA 726 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1n8i h ALA 726 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1n8i h ALA 726 CO 0.01 0.67 0.00 -0.85 0.00 0.00 0.00 179.25 179.08