#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y42 n LYS 40 N 0.00 0.70 -0.13 0.54 2.85 -1.26 -1.40 118.16 119.47 1y42 n LYS 40 Ca 0.00 0.25 0.03 0.00 -1.05 0.00 0.00 58.31 57.54 1y42 n LYS 40 Cb 0.00 -1.71 0.33 0.00 -0.65 0.00 0.00 35.03 33.00 1y42 n LYS 40 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 177.40 176.43 1y42 h TYR 41 N 0.04 0.75 -0.29 5.58 3.20 -2.05 -2.72 116.97 121.48 1y42 h TYR 41 Ca -0.40 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.43 1y42 h TYR 41 Cb 2.03 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 40.04 1y42 h TYR 41 CO 0.04 0.46 -0.05 1.15 -1.64 0.00 0.00 178.16 178.12 1y42 h THR 42 N 0.79 1.28 -0.37 1.81 2.02 -1.96 0.89 112.91 117.37 1y42 h THR 42 Ca 0.23 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1y42 h THR 42 Cb -0.04 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1y42 h THR 42 CO -0.06 0.34 0.24 0.00 0.37 0.00 0.00 175.52 176.41 1y42 h ALA 43 N 0.79 0.47 -0.70 6.16 0.00 -1.22 0.11 119.26 124.86 1y42 h ALA 43 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1y42 h ALA 43 Cb 0.53 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1y42 h ALA 43 CO 0.03 -0.06 0.41 0.87 0.00 0.00 0.00 179.25 180.49 1y42 h LYS 44 N 0.49 0.96 -0.63 0.00 1.57 -1.30 -0.23 116.57 117.43 1y42 h LYS 44 Ca 0.13 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1y42 h LYS 44 Cb -0.03 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 1y42 h LYS 44 CO -0.03 0.70 0.40 0.82 -0.57 0.00 0.00 179.45 180.77 1y42 h ILE 45 N 0.95 1.17 -0.66 1.86 1.08 -0.42 -1.52 117.51 119.97 1y42 h ILE 45 Ca 0.25 -0.34 -0.02 0.00 -0.39 0.00 0.00 64.86 64.36 1y42 h ILE 45 Cb -0.00 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 33.99 1y42 h ILE 45 CO -0.04 0.17 0.32 0.78 -0.69 0.00 0.00 178.15 178.68 1y42 h ASN 46 N 0.85 0.86 -0.61 1.72 2.35 -0.42 -0.73 115.58 119.60 1y42 h ASN 46 Ca 0.23 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1y42 h ASN 46 Cb -0.07 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.05 1y42 h ASN 46 CO -0.05 0.75 0.21 -0.08 -1.65 0.00 0.00 177.43 176.61 1y42 h GLU 47 N 0.91 0.94 -0.59 0.81 4.81 -0.84 -1.30 114.58 119.32 1y42 h GLU 47 Ca 0.23 -0.19 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1y42 h GLU 47 Cb 0.12 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 1y42 h GLU 47 CO -0.03 0.83 0.26 0.00 -0.73 0.00 0.00 179.01 179.34 1y42 h ALA 48 N 1.07 0.77 -0.28 2.92 0.00 -0.99 0.22 119.26 122.97 1y42 h ALA 48 Ca 0.20 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1y42 h ALA 48 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1y42 h ALA 48 CO -0.01 -0.13 -0.36 1.05 0.00 0.00 0.00 179.25 179.80 1y42 h GLU 49 N 0.48 0.63 -0.39 0.00 9.09 -0.72 0.45 114.58 124.11 1y42 h GLU 49 Ca 0.28 -0.30 -0.08 0.00 0.05 0.00 0.00 59.36 59.31 1y42 h GLU 49 Cb 0.28 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.36 1y42 h GLU 49 CO -0.24 0.89 -0.06 0.93 0.05 0.00 0.00 179.01 180.58 1y42 h GLU 50 N 0.52 0.73 -0.78 1.06 5.08 -0.81 -0.44 114.58 119.94 1y42 h GLU 50 Ca 0.05 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1y42 h GLU 50 Cb 0.87 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 1y42 h GLU 50 CO 0.07 0.85 0.52 -0.91 -1.00 0.00 0.00 179.01 178.55 1y42 h ASN 51 N 0.55 0.89 -0.58 1.42 -0.26 -0.41 -1.18 115.58 116.02 1y42 h ASN 51 Ca 0.10 -0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 55.76 1y42 h ASN 51 Cb 0.56 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.57 1y42 h ASN 51 CO 0.03 0.64 0.13 -0.25 -1.06 0.00 0.00 177.43 176.93 1y42 h TRP 52 N 1.06 1.01 -0.21 1.19 2.91 -0.56 -1.58 115.95 119.78 1y42 h TRP 52 Ca 0.29 -0.11 -0.17 0.00 1.13 0.00 0.00 58.89 60.03 1y42 h TRP 52 Cb -0.11 -0.29 -0.00 0.00 -0.51 0.00 0.00 29.16 28.25 1y42 h TRP 52 CO -0.02 0.84 -0.55 1.96 -1.03 0.00 0.00 178.44 179.64 1y42 h GLN 53 N 0.92 0.62 -0.50 2.65 1.08 -0.75 0.23 115.11 119.37 1y42 h GLN 53 Ca 0.19 -0.39 -0.02 0.00 -1.45 0.00 0.00 58.65 56.98 1y42 h GLN 53 Cb 0.35 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 1y42 h GLN 53 CO 0.00 1.01 0.24 0.00 -0.95 0.00 0.00 178.83 179.13 1y42 h ALA 54 N 0.91 0.65 -0.49 3.87 0.00 -1.06 -0.52 119.26 122.62 1y42 h ALA 54 Ca 0.01 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.89 1y42 h ALA 54 Cb 1.11 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 1y42 h ALA 54 CO 0.11 0.21 0.05 -0.09 0.00 0.00 0.00 179.25 179.53 1y42 h ARG 55 N 0.66 0.17 -0.88 0.00 2.43 -1.03 0.51 114.38 116.25 1y42 h ARG 55 Ca 0.17 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.40 1y42 h ARG 55 Cb 0.12 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.57 1y42 h ARG 55 CO -0.02 0.11 0.55 0.00 -1.51 0.00 0.00 179.97 179.10 1y42 h ALA 56 N 1.41 1.22 -0.25 2.80 0.00 -0.04 -1.17 119.26 123.23 1y42 h ALA 56 Ca 0.25 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1y42 h ALA 56 Cb 0.35 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1y42 h ALA 56 CO -0.36 0.29 -0.44 1.49 0.00 0.00 0.00 179.25 180.23 1y42 h GLU 57 N 0.99 0.74 -0.89 0.00 4.57 -0.57 -1.68 114.58 117.74 1y42 h GLU 57 Ca 0.39 -0.46 0.13 0.00 -1.18 0.00 0.00 59.36 58.23 1y42 h GLU 57 Cb 0.19 0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 28.74 1y42 h GLU 57 CO -0.18 1.09 0.51 0.00 -1.18 0.00 0.00 179.01 179.25 1y42 h ALA 58 N 0.65 1.34 0.04 2.92 0.00 -0.65 0.80 119.26 124.36 1y42 h ALA 58 Ca 0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1y42 h ALA 58 Cb 1.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1y42 h ALA 58 CO 0.10 0.04 -0.02 0.82 0.00 0.00 0.00 179.25 180.19 1y42 h ILE 59 N 0.77 1.11 -0.94 0.00 2.04 -1.11 0.13 117.51 119.51 1y42 h ILE 59 Ca 0.46 -0.48 0.15 0.00 1.00 0.00 0.00 64.86 65.99 1y42 h ILE 59 Cb 0.56 1.43 -0.10 0.00 -0.74 0.00 0.00 36.82 37.98 1y42 h ILE 59 CO -0.31 0.12 0.55 0.50 0.00 0.00 0.00 178.15 179.01 1y42 h LYS 60 N -0.27 0.76 -0.00 2.37 3.64 -0.81 -0.18 116.57 122.07 1y42 h LYS 60 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1y42 h LYS 60 Cb 0.24 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1y42 h LYS 60 CO 0.01 0.50 -0.04 1.63 -2.27 0.00 0.00 179.45 179.28 1y42 n LYS 61 N -4.76 0.63 -0.95 1.90 5.02 0.23 -4.92 118.16 115.31 1y42 n LYS 61 Ca 0.20 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1y42 n LYS 61 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 1y42 n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y42 n GLY 62 N 1.24 0.51 0.18 0.72 0.00 -0.08 -4.91 105.19 102.84 1y42 n GLY 62 Ca 0.16 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1y42 n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y42 h LYS 63 N 0.99 0.00 -3.88 1.61 1.57 -0.99 -3.45 116.57 112.42 1y42 h LYS 63 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 1y42 h LYS 63 Cb 0.00 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 31.99 1y42 h LYS 63 CO 0.00 0.28 -0.75 0.21 -0.57 0.00 0.00 179.45 178.62 1y42 s LYS 64 N -3.11 0.34 -0.01 3.15 2.47 -1.06 -4.95 119.74 116.56 1y42 s LYS 64 Ca 0.05 -0.01 -0.30 0.00 -1.56 0.00 0.00 55.97 54.15 1y42 s LYS 64 Cb 0.07 -0.44 -0.04 0.00 -1.46 0.00 0.00 37.83 35.96 1y42 s LYS 64 CO 0.71 -0.06 1.19 -1.14 0.16 0.00 0.00 175.35 176.21 1y42 s GLN 65 N 0.62 4.39 0.06 4.03 0.74 -1.26 -4.00 119.66 124.23 1y42 s GLN 65 Ca -0.06 1.69 -0.34 0.00 0.05 0.00 0.00 55.36 56.70 1y42 s GLN 65 Cb -0.09 -3.48 -0.13 0.00 1.10 0.00 0.00 33.01 30.40 1y42 s GLN 65 CO -0.01 -0.36 1.68 -1.71 -0.55 0.00 0.00 175.29 174.34 1y42 n ASN 66 N 4.71 3.13 -0.33 6.67 4.05 -1.26 -4.90 115.26 127.33 1y42 n ASN 66 Ca 0.10 1.04 0.23 0.00 0.45 0.00 0.00 54.58 56.40 1y42 n ASN 66 Cb 0.47 -1.39 0.50 0.00 1.23 0.00 0.00 39.78 40.59 1y42 n ASN 66 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 1y42 h THR 67 N 4.30 0.50 -0.54 -0.44 2.02 -1.94 0.16 112.91 116.97 1y42 h THR 67 Ca -0.46 -0.14 0.08 0.00 0.77 0.00 0.00 66.41 66.66 1y42 h THR 67 Cb 1.27 0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.68 1y42 h THR 67 CO 0.91 0.07 0.19 -0.25 0.37 0.00 0.00 175.52 176.81 1y42 h TRP 68 N 0.40 0.34 -0.05 3.16 2.91 -1.90 0.50 115.95 121.31 1y42 h TRP 68 Ca 0.61 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 60.55 1y42 h TRP 68 Cb 1.53 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 30.09 1y42 h TRP 68 CO -0.00 0.10 -0.45 -0.44 -1.03 0.00 0.00 178.44 176.61 1y42 h ASP 69 N 0.38 0.12 -0.39 2.65 3.32 -1.10 -1.69 116.42 119.71 1y42 h ASP 69 Ca 0.26 -0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.31 1y42 h ASP 69 Cb 0.29 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.76 1y42 h ASP 69 CO -0.26 0.56 0.10 0.25 -1.72 0.00 0.00 179.24 178.17 1y42 h LEU 70 N 0.09 0.07 -0.48 1.55 6.46 -0.74 0.60 115.31 122.87 1y42 h LEU 70 Ca 0.00 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.89 1y42 h LEU 70 Cb 0.84 0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.77 1y42 h LEU 70 CO 0.06 0.08 0.13 -0.26 -0.62 0.00 0.00 178.44 177.83 1y42 h PHE 71 N 0.24 0.22 -0.30 1.25 0.05 -0.18 0.28 116.94 118.50 1y42 h PHE 71 Ca 0.18 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.96 1y42 h PHE 71 Cb 0.19 -0.03 -0.01 0.00 2.00 0.00 0.00 35.95 38.10 1y42 h PHE 71 CO -0.17 0.04 0.06 0.93 -0.18 0.00 0.00 178.31 178.99 1y42 h GLU 72 N 0.28 0.50 -0.78 1.51 5.08 -1.09 -1.08 114.58 118.99 1y42 h GLU 72 Ca 0.23 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1y42 h GLU 72 Cb 0.28 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1y42 h GLU 72 CO -0.27 0.59 0.40 1.49 -1.00 0.00 0.00 179.01 180.22 1y42 h GLU 73 N 0.32 1.10 0.00 2.33 4.81 -0.38 -2.73 114.58 120.03 1y42 h GLU 73 Ca 0.09 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1y42 h GLU 73 Cb 0.33 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1y42 h GLU 73 CO 0.00 0.83 -0.29 0.00 -0.73 0.00 0.00 179.01 178.82 1y42 h ARG 74 N 1.10 0.00 0.00 1.92 3.08 -0.93 -3.48 114.38 116.07 1y42 h ARG 74 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1y42 h ARG 74 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1y42 h ARG 74 CO -0.04 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.27 1y42 n GLY 75 N 1.22 1.04 0.12 0.04 0.00 -0.82 -4.10 105.19 102.70 1y42 n GLY 75 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1y42 n GLY 75 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1y42 h TYR 76 N 0.00 0.00 -3.66 1.61 0.05 -1.47 -3.43 116.97 110.08 1y42 h TYR 76 Ca 0.00 0.00 -0.65 0.00 0.05 0.00 0.00 58.73 58.13 1y42 h TYR 76 Cb 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 37.58 1y42 h TYR 76 CO 0.00 0.00 -0.23 0.08 -1.05 0.00 0.00 178.16 176.96 1y42 s VAL 77 N -3.20 5.13 0.00 -2.88 1.01 -1.26 -3.96 120.40 115.25 1y42 s VAL 77 Ca 0.08 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1y42 s VAL 77 Cb 0.11 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1y42 s VAL 77 CO 0.52 -0.09 0.00 1.17 0.00 0.00 0.00 175.10 176.70 1y42 n LYS 78 N 5.46 0.00 -4.25 2.72 4.81 0.28 -4.83 118.16 122.35 1y42 n LYS 78 Ca -0.08 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.06 1y42 n LYS 78 Cb 0.49 -0.03 -0.10 0.00 0.02 0.00 0.00 35.03 35.41 1y42 n LYS 78 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1y42 s ASP 79 N -1.17 4.29 -0.04 3.14 -0.00 -1.22 -4.95 116.67 116.72 1y42 s ASP 79 Ca 0.00 -0.42 0.06 0.00 -0.00 0.00 0.00 52.55 52.19 1y42 s ASP 79 Cb 0.00 -0.78 -0.01 0.00 -0.00 0.00 0.00 42.92 42.13 1y42 s ASP 79 CO 0.00 0.18 -0.21 0.42 -0.00 0.00 0.00 175.17 175.56 1y42 s THR 80 N -1.19 1.73 -0.49 -1.27 -4.23 -1.26 -0.92 115.64 108.00 1y42 s THR 80 Ca 0.21 -0.90 -0.12 0.00 -1.18 0.00 0.00 61.69 59.70 1y42 s THR 80 Cb -0.11 -1.46 0.12 0.00 1.34 0.00 0.00 72.50 72.39 1y42 s THR 80 CO 0.13 0.49 0.40 0.00 -0.54 0.00 0.00 174.62 175.09 1y42 s ALA 81 N -0.20 3.48 0.00 3.99 0.00 0.12 -4.84 121.76 124.32 1y42 s ALA 81 Ca 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 51.96 49.44 1y42 s ALA 81 Cb -0.11 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1y42 s ALA 81 CO 0.02 -1.94 0.00 0.41 0.00 0.00 0.00 175.76 174.25 1y42 n GLY 82 N 5.03 2.95 3.76 0.00 0.00 -1.26 -1.03 105.19 114.64 1y42 n GLY 82 Ca -0.10 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 1y42 n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y42 s THR 83 N -1.57 3.12 0.45 2.61 -4.23 -1.26 -4.85 115.64 109.91 1y42 s THR 83 Ca 0.00 0.48 0.13 0.00 -1.18 0.00 0.00 61.69 61.12 1y42 s THR 83 Cb 0.00 -2.98 0.20 0.00 1.34 0.00 0.00 72.50 71.06 1y42 s THR 83 CO 0.00 -0.36 2.01 0.11 -0.54 0.00 0.00 174.62 175.85 1y42 h LYS 84 N -0.31 0.09 -0.26 3.99 1.57 -1.98 -0.90 116.57 118.78 1y42 h LYS 84 Ca -0.46 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.21 1y42 h LYS 84 Cb 1.25 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1y42 h LYS 84 CO 0.53 0.20 -0.20 0.93 -0.57 0.00 0.00 179.45 180.33 1y42 h GLU 85 N 0.09 0.59 0.10 3.15 3.07 -1.99 -0.88 114.58 118.71 1y42 h GLU 85 Ca 0.02 -0.29 0.01 0.00 -0.50 0.00 0.00 59.36 58.60 1y42 h GLU 85 Cb 0.24 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.10 1y42 h GLU 85 CO 0.01 0.88 -0.52 1.25 -1.40 0.00 0.00 179.01 179.23 1y42 h HIS 86 N 0.31 -1.51 -0.73 4.33 2.76 -1.84 -1.94 115.15 116.53 1y42 h HIS 86 Ca 0.05 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 1y42 h HIS 86 Cb 0.74 0.65 -0.03 0.00 1.55 0.00 0.00 27.41 30.32 1y42 h HIS 86 CO 0.07 -0.59 0.28 0.82 -1.30 0.00 0.00 177.93 177.21 1y42 h ILE 87 N -0.74 1.25 -0.33 6.26 2.04 -1.08 0.34 117.51 125.25 1y42 h ILE 87 Ca 0.00 -0.80 0.03 0.00 1.00 0.00 0.00 64.86 65.09 1y42 h ILE 87 Cb 0.75 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1y42 h ILE 87 CO -0.30 0.32 0.14 0.00 0.00 0.00 0.00 178.15 178.31 1y42 h ALA 88 N 1.14 0.40 -0.15 1.87 0.00 -1.13 -0.95 119.26 120.43 1y42 h ALA 88 Ca 0.24 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 1y42 h ALA 88 Cb 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1y42 h ALA 88 CO -0.02 -0.25 -0.62 1.49 0.00 0.00 0.00 179.25 179.85 1y42 h GLU 89 N 0.30 0.52 -0.50 0.00 4.57 -0.92 0.56 114.58 119.11 1y42 h GLU 89 Ca 0.15 -0.36 0.01 0.00 -1.18 0.00 0.00 59.36 57.97 1y42 h GLU 89 Cb 0.09 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 1y42 h GLU 89 CO -0.13 0.98 0.33 1.25 -1.18 0.00 0.00 179.01 180.26 1y42 h LEU 90 N 0.39 0.56 -0.77 1.64 5.85 -0.70 -1.68 115.31 120.58 1y42 h LEU 90 Ca -0.01 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.58 1y42 h LEU 90 Cb 1.18 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1y42 h LEU 90 CO 0.11 0.40 -0.37 0.24 -0.34 0.00 0.00 178.44 178.48 1y42 h MET 91 N 0.66 0.49 -0.23 1.25 2.86 -0.78 -1.36 114.93 117.82 1y42 h MET 91 Ca 0.19 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1y42 h MET 91 Cb -0.06 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1y42 h MET 91 CO -0.05 0.79 0.04 -0.09 1.06 0.00 0.00 176.91 178.66 1y42 h ARG 92 N 0.41 0.38 0.00 1.72 2.43 -0.79 -3.34 114.38 115.19 1y42 h ARG 92 Ca 0.04 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1y42 h ARG 92 Cb 0.84 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1y42 h ARG 92 CO 0.07 0.51 -0.94 0.25 -1.51 0.00 0.00 179.97 178.35 1y42 n THR 93 N -4.71 0.27 -4.08 0.20 -2.24 -0.64 -4.27 114.28 98.81 1y42 n THR 93 Ca -0.04 -0.30 -0.18 0.00 -2.27 0.00 0.00 64.05 61.27 1y42 n THR 93 Cb 0.19 0.03 -0.16 0.00 -2.10 0.00 0.00 70.33 68.30 1y42 n THR 93 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1y42 s ARG 94 N -3.22 0.54 -1.20 -0.78 3.52 -0.52 -4.90 118.95 112.38 1y42 s ARG 94 Ca 0.03 -0.05 -0.18 0.00 -0.13 0.00 0.00 55.73 55.40 1y42 s ARG 94 Cb 0.13 -0.60 -0.03 0.00 -1.56 0.00 0.00 34.95 32.89 1y42 s ARG 94 CO 0.78 -0.06 2.06 -2.13 -0.81 0.00 0.00 175.30 175.14 1y42 n ARG 95 N 3.83 2.38 -1.05 5.12 0.63 -1.26 -4.59 116.66 121.71 1y42 n ARG 95 Ca -0.23 -2.43 -0.30 0.00 -0.92 0.00 0.00 57.85 53.97 1y42 n ARG 95 Cb 0.52 -3.22 0.16 0.00 0.45 0.00 0.00 32.46 30.37 1y42 n ARG 95 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1y42 s ILE 96 N 4.40 2.50 0.07 5.15 -4.36 -1.26 -4.61 121.20 123.09 1y42 s ILE 96 Ca 0.53 0.16 -0.02 0.00 -0.26 0.00 0.00 60.65 61.05 1y42 s ILE 96 Cb 0.12 -2.53 -0.05 0.00 1.25 0.00 0.00 42.46 41.25 1y42 s ILE 96 CO 0.01 -0.21 0.26 -0.83 0.24 0.00 0.00 174.94 174.41 1y42 s GLY 97 N -3.20 2.21 0.08 6.27 0.00 -1.16 -2.33 107.32 109.19 1y42 s GLY 97 Ca 0.64 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 44.66 1y42 s GLY 97 CO 0.58 -0.66 -0.06 0.00 0.00 0.00 0.00 173.10 172.96 1y42 s ALA 98 N -1.52 0.80 0.03 3.20 0.00 0.15 -1.40 121.76 123.02 1y42 s ALA 98 Ca 0.35 -1.20 -0.08 0.00 0.00 0.00 0.00 51.96 51.03 1y42 s ALA 98 Cb -0.13 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1y42 s ALA 98 CO 0.25 -0.22 0.16 1.52 0.00 0.00 0.00 175.76 177.47 1y42 s TYR 99 N -3.24 0.08 -0.06 0.00 -0.85 -0.54 -0.95 117.35 111.80 1y42 s TYR 99 Ca 0.06 -0.29 0.05 0.00 -0.52 0.00 0.00 57.07 56.38 1y42 s TYR 99 Cb 0.03 -0.06 -0.01 0.00 0.38 0.00 0.00 41.96 42.31 1y42 s TYR 99 CO -0.05 -0.39 -0.23 0.08 -1.52 0.00 0.00 175.55 173.45 1y42 s VAL 100 N -2.33 1.88 -0.12 -3.49 1.01 -0.68 -0.66 120.40 116.01 1y42 s VAL 100 Ca -0.07 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 1y42 s VAL 100 Cb -0.02 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1y42 s VAL 100 CO -0.03 0.53 0.12 -0.83 0.00 0.00 0.00 175.10 174.89 1y42 s GLY 101 N -0.00 2.11 -0.09 4.51 0.00 -1.26 -0.21 107.32 112.37 1y42 s GLY 101 Ca -0.07 -0.67 0.01 0.00 0.00 0.00 0.00 44.72 43.99 1y42 s GLY 101 CO 0.04 -0.37 -0.10 -0.42 0.00 0.00 0.00 173.10 172.25 1y42 s ILE 102 N -0.92 1.12 -0.22 0.90 1.01 0.81 -4.92 121.20 118.98 1y42 s ILE 102 Ca 0.14 -0.41 -0.25 0.00 0.00 0.00 0.00 60.65 60.14 1y42 s ILE 102 Cb -0.12 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 1y42 s ILE 102 CO 0.03 0.37 0.83 -1.81 0.00 0.00 0.00 174.94 174.37 1y42 s ASP 103 N 1.21 6.87 -1.17 3.58 1.11 -1.26 -0.61 116.67 126.40 1y42 s ASP 103 Ca -0.04 1.08 -0.19 0.00 0.18 0.00 0.00 52.55 53.57 1y42 s ASP 103 Cb -0.14 -2.44 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 1y42 s ASP 103 CO -0.03 -0.48 1.94 -0.81 1.18 0.00 0.00 175.17 176.97 1y42 n PRO 104 N 5.79 2.26 0.00 8.23 -0.04 -1.26 -4.68 135.00 145.29 1y42 n PRO 104 Ca 0.05 -2.55 0.14 0.00 -0.04 0.00 0.00 63.50 61.10 1y42 n PRO 104 Cb 0.48 -3.37 0.62 0.00 -0.04 0.00 0.00 33.50 31.18 1y42 n PRO 104 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1y42 n THR 105 N 6.41 0.00 -3.66 0.52 -2.24 -1.26 -4.71 114.28 109.34 1y42 n THR 105 Ca 0.49 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 62.03 1y42 n THR 105 Cb 0.43 0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.79 1y42 n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y42 s ALA 106 N -2.15 -1.28 -0.55 6.98 0.00 -1.26 -5.07 121.76 118.42 1y42 s ALA 106 Ca 0.37 0.01 0.25 0.00 0.00 0.00 0.00 51.96 52.59 1y42 s ALA 106 Cb 0.21 0.87 0.92 0.00 0.00 0.00 0.00 23.12 25.12 1y42 s ALA 106 CO 0.39 -0.87 1.75 -0.35 0.00 0.00 0.00 175.76 176.67 1y42 n PRO 107 N -0.40 0.24 -4.50 0.00 -0.04 -1.26 -4.69 135.00 124.34 1y42 n PRO 107 Ca -0.10 0.35 -0.22 0.00 -0.04 0.00 0.00 63.50 63.49 1y42 n PRO 107 Cb 0.62 -1.87 -0.14 0.00 -0.04 0.00 0.00 33.50 32.07 1y42 n PRO 107 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1y42 s SER 108 N -4.44 1.89 0.77 3.54 0.15 -1.26 -4.15 113.70 110.20 1y42 s SER 108 Ca 0.07 -0.43 -0.11 0.00 0.70 0.00 0.00 55.95 56.18 1y42 s SER 108 Cb 0.10 -0.15 0.05 0.00 -1.71 0.00 0.00 66.02 64.32 1y42 s SER 108 CO 0.48 0.10 1.08 -0.76 1.20 0.00 0.00 173.24 175.34 1y42 s LEU 109 N -0.97 2.93 0.44 3.45 1.43 -1.26 -4.94 118.68 119.76 1y42 s LEU 109 Ca 0.04 1.69 0.03 0.00 -1.03 0.00 0.00 54.13 54.87 1y42 s LEU 109 Cb -0.08 -4.40 -0.02 0.00 0.03 0.00 0.00 46.19 41.72 1y42 s LEU 109 CO 0.01 -1.95 0.10 -1.38 0.23 0.00 0.00 176.35 173.35 1y42 s HIS 110 N -2.96 1.81 0.28 0.29 -3.43 -1.26 -1.17 115.29 108.86 1y42 s HIS 110 Ca 0.61 -1.20 0.26 0.00 -0.80 0.00 0.00 55.06 53.93 1y42 s HIS 110 Cb -0.16 -1.29 1.18 0.00 -1.43 0.00 0.00 32.58 30.89 1y42 s HIS 110 CO 0.56 -0.15 1.95 -0.39 -2.00 0.00 0.00 174.74 174.70 1y42 h VAL 111 N 1.66 0.58 0.00 -5.38 -1.51 -1.54 -0.58 116.25 109.47 1y42 h VAL 111 Ca -0.38 -0.84 -0.01 0.00 -1.23 0.00 0.00 66.70 64.24 1y42 h VAL 111 Cb 1.28 1.56 -0.00 0.00 -2.13 0.00 0.00 31.29 32.00 1y42 h VAL 111 CO 0.61 0.18 -0.04 1.23 -1.23 0.00 0.00 177.57 178.32 1y42 h GLY 112 N 1.44 0.00 2.00 5.19 0.00 -1.86 -0.52 103.07 109.32 1y42 h GLY 112 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1y42 h GLY 112 CO 0.02 0.00 -0.15 0.45 0.00 0.00 0.00 176.54 176.86 1y42 h HIS 113 N 0.00 0.00 0.00 5.60 -0.00 -1.49 -3.12 115.15 116.14 1y42 h HIS 113 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 1y42 h HIS 113 Cb 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.48 1y42 h HIS 113 CO 0.00 0.15 -0.26 -0.07 -0.00 0.00 0.00 177.93 177.75 1y42 h LEU 114 N 0.00 0.00 0.40 2.43 3.38 -1.16 -3.32 115.31 117.04 1y42 h LEU 114 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1y42 h LEU 114 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1y42 h LEU 114 CO 0.02 0.26 -0.29 0.25 0.09 0.00 0.00 178.44 178.77 1y42 h LEU 115 N 0.00 -0.74 -1.72 1.67 5.85 -1.67 -1.13 115.31 117.57 1y42 h LEU 115 Ca -0.00 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1y42 h LEU 115 Cb 0.51 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 1y42 h LEU 115 CO 0.03 -0.44 -0.14 1.55 -0.34 0.00 0.00 178.44 179.10 1y42 h PRO 116 N -0.68 0.00 0.00 5.25 0.13 -1.81 -2.37 132.00 132.52 1y42 h PRO 116 Ca -0.04 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.01 1y42 h PRO 116 Cb 0.58 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1y42 h PRO 116 CO 0.01 0.14 -0.41 -0.07 -0.23 0.00 0.00 178.00 177.45 1y42 h LEU 117 N 0.00 0.00 0.31 1.56 3.38 -1.54 -3.30 115.31 115.73 1y42 h LEU 117 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1y42 h LEU 117 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1y42 h LEU 117 CO 0.02 0.41 -0.15 0.24 0.09 0.00 0.00 178.44 179.05 1y42 h MET 118 N 0.00 -0.40 -0.58 1.13 2.86 -0.66 0.28 114.93 117.56 1y42 h MET 118 Ca -0.00 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1y42 h MET 118 Cb 0.83 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.55 1y42 h MET 118 CO 0.05 -0.21 0.38 -1.00 1.06 0.00 0.00 176.91 177.20 1y42 h PRO 119 N -0.51 0.68 -0.46 -0.22 0.13 -1.73 0.76 132.00 130.65 1y42 h PRO 119 Ca -0.04 -0.04 0.02 0.00 -0.87 0.00 0.00 66.00 65.07 1y42 h PRO 119 Cb 0.38 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 31.33 1y42 h PRO 119 CO 0.07 0.45 0.27 1.25 -0.23 0.00 0.00 178.00 179.81 1y42 h LEU 120 N 0.70 0.45 -0.75 1.56 5.85 -1.53 -0.70 115.31 120.88 1y42 h LEU 120 Ca 0.23 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 1y42 h LEU 120 Cb 0.06 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1y42 h LEU 120 CO -0.06 0.32 0.07 -0.26 -0.34 0.00 0.00 178.44 178.17 1y42 h PHE 121 N 0.55 1.09 -0.54 1.25 0.05 0.80 -1.79 116.94 118.35 1y42 h PHE 121 Ca 0.18 -0.15 0.07 0.00 3.82 0.00 0.00 57.97 61.89 1y42 h PHE 121 Cb 0.01 -0.30 -0.06 0.00 2.00 0.00 0.00 35.95 37.60 1y42 h PHE 121 CO -0.07 0.93 0.22 -1.49 -0.18 0.00 0.00 178.31 177.72 1y42 h TRP 122 N 0.95 0.38 -0.62 -0.55 4.06 -0.63 0.19 115.95 119.73 1y42 h TRP 122 Ca 0.18 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.14 1y42 h TRP 122 Cb 0.46 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 28.50 1y42 h TRP 122 CO 0.03 0.13 0.31 0.52 -3.56 0.00 0.00 178.44 175.88 1y42 h MET 123 N 0.41 0.89 0.04 0.49 2.86 -0.87 -0.97 114.93 117.78 1y42 h MET 123 Ca 0.26 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1y42 h MET 123 Cb 0.27 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1y42 h MET 123 CO -0.24 0.70 -0.10 -0.92 1.06 0.00 0.00 176.91 177.41 1y42 h TYR 124 N 0.86 -0.25 -1.00 -0.22 3.20 -0.66 -1.10 116.97 117.80 1y42 h TYR 124 Ca 0.22 0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.25 1y42 h TYR 124 Cb 0.10 0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.38 1y42 h TYR 124 CO -0.00 -0.15 0.62 -0.07 -1.64 0.00 0.00 178.16 176.92 1y42 h LEU 125 N -0.18 0.84 0.00 2.82 3.38 -0.60 -0.70 115.31 120.86 1y42 h LEU 125 Ca 0.03 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1y42 h LEU 125 Cb 0.21 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1y42 h LEU 125 CO -0.07 0.38 0.00 -0.62 0.09 0.00 0.00 178.44 178.22 1y42 n GLU 126 N -4.68 0.11 0.00 1.13 -0.58 -0.40 -4.90 120.64 111.33 1y42 n GLU 126 Ca 0.21 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 1y42 n GLU 126 Cb 0.47 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 1y42 n GLU 126 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y42 n GLY 127 N 0.50 1.04 3.75 0.62 0.00 -0.27 -5.07 105.19 105.77 1y42 n GLY 127 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1y42 n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y42 s TYR 128 N -2.00 0.94 -0.22 1.61 1.51 -0.60 -3.98 117.35 114.61 1y42 s TYR 128 Ca 0.00 0.40 -0.10 0.00 -1.01 0.00 0.00 57.07 56.35 1y42 s TYR 128 Cb 0.00 -3.77 -0.05 0.00 -0.11 0.00 0.00 41.96 38.03 1y42 s TYR 128 CO 0.00 -3.35 0.14 0.15 -1.11 0.00 0.00 175.55 171.39 1y42 s LYS 129 N -5.65 4.11 -0.05 -0.62 1.02 -0.98 -2.04 119.74 115.54 1y42 s LYS 129 Ca 0.73 -0.25 0.01 0.00 0.02 0.00 0.00 55.97 56.47 1y42 s LYS 129 Cb -0.07 -3.48 0.02 0.00 -0.52 0.00 0.00 37.83 33.79 1y42 s LYS 129 CO 0.55 0.16 -0.04 0.00 -0.92 0.00 0.00 175.35 175.10 1y42 s ALA 130 N 0.76 0.70 -0.00 5.17 0.00 0.49 -0.67 121.76 128.21 1y42 s ALA 130 Ca 0.08 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.00 1y42 s ALA 130 Cb -0.12 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 1y42 s ALA 130 CO 0.02 -0.11 -0.16 -0.06 0.00 0.00 0.00 175.76 175.46 1y42 s PHE 131 N 1.12 1.39 -0.29 0.00 0.40 -0.12 -1.16 117.98 119.33 1y42 s PHE 131 Ca -0.08 -0.28 -0.08 0.00 -0.60 0.00 0.00 56.93 55.89 1y42 s PHE 131 Cb -0.14 -0.88 -0.01 0.00 0.51 0.00 0.00 43.02 42.51 1y42 s PHE 131 CO -0.01 -0.01 0.10 0.95 0.70 0.00 0.00 175.22 176.95 1y42 s THR 132 N -0.46 4.23 -0.21 0.64 -4.23 -0.44 -1.69 115.64 113.47 1y42 s THR 132 Ca 0.05 -0.47 -0.17 0.00 -1.18 0.00 0.00 61.69 59.92 1y42 s THR 132 Cb -0.06 -3.11 -0.03 0.00 1.34 0.00 0.00 72.50 70.63 1y42 s THR 132 CO -0.00 0.15 0.48 -0.22 -0.54 0.00 0.00 174.62 174.49 1y42 s LEU 133 N 1.56 4.13 -0.17 4.79 2.96 0.70 -2.11 118.68 130.55 1y42 s LEU 133 Ca 0.04 0.58 -0.18 0.00 -0.22 0.00 0.00 54.13 54.36 1y42 s LEU 133 Cb -0.16 -2.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.86 1y42 s LEU 133 CO 0.04 -0.17 0.46 -0.63 -1.32 0.00 0.00 176.35 174.73 1y42 s ILE 134 N 1.69 5.17 -1.43 6.68 1.01 0.18 -0.13 121.20 134.37 1y42 s ILE 134 Ca 0.22 0.88 -0.08 0.00 0.00 0.00 0.00 60.65 61.66 1y42 s ILE 134 Cb -0.15 -3.80 0.05 0.00 0.01 0.00 0.00 42.46 38.57 1y42 s ILE 134 CO 0.09 0.26 2.47 0.61 0.00 0.00 0.00 174.94 178.38 1y42 n GLY 135 N 3.63 4.75 0.31 6.18 0.00 0.22 -1.13 105.19 119.15 1y42 n GLY 135 Ca -0.07 -1.83 0.01 0.00 0.00 0.00 0.00 46.02 44.13 1y42 n GLY 135 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1y42 h GLY 136 N 6.88 1.24 1.17 -0.02 0.00 -1.92 -0.04 103.07 110.37 1y42 h GLY 136 Ca 0.70 -0.34 -0.24 0.00 0.00 0.00 0.00 47.33 47.45 1y42 h GLY 136 CO 1.65 0.20 -1.47 1.76 0.00 0.00 0.00 176.54 178.68 1y42 h SER 137 N 0.87 0.00 0.96 0.19 0.02 -1.87 -3.38 113.55 110.35 1y42 h SER 137 Ca 0.37 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.22 1y42 h SER 137 Cb 0.23 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1y42 h SER 137 CO -0.20 0.86 -1.09 0.00 -1.14 0.00 0.00 176.83 175.25 1y42 h THR 138 N 0.00 0.37 -0.48 -2.27 1.03 -1.88 -3.11 112.91 106.57 1y42 h THR 138 Ca -0.20 -1.67 0.06 0.00 -0.01 0.00 0.00 66.41 64.59 1y42 h THR 138 Cb 1.83 1.92 -0.03 0.00 -1.07 0.00 0.00 68.15 70.80 1y42 h THR 138 CO 0.08 0.21 0.32 0.00 -0.01 0.00 0.00 175.52 176.12 1y42 h ALA 139 N 1.64 1.95 0.00 0.00 0.00 -1.18 0.27 119.26 121.94 1y42 h ALA 139 Ca -0.08 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1y42 h ALA 139 Cb 1.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1y42 h ALA 139 CO 0.03 -0.04 -0.38 0.87 0.00 0.00 0.00 179.25 179.73 1y42 h LYS 140 N 0.38 0.00 0.01 0.00 1.57 -1.75 -3.05 116.57 113.74 1y42 h LYS 140 Ca 0.21 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 1y42 h LYS 140 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1y42 h LYS 140 CO -0.05 0.38 -0.31 0.82 -0.57 0.00 0.00 179.45 179.72 1y42 h ILE 141 N 0.00 1.60 0.00 1.86 1.08 -1.53 -3.51 117.51 117.01 1y42 h ILE 141 Ca -0.00 -2.33 0.00 0.00 -0.39 0.00 0.00 64.86 62.14 1y42 h ILE 141 Cb 0.69 3.15 0.00 0.00 -3.07 0.00 0.00 36.82 37.60 1y42 h ILE 141 CO 0.05 0.56 0.00 0.61 -0.69 0.00 0.00 178.15 178.68 1y42 n GLY 142 N 1.58 -2.72 3.65 5.37 0.00 0.88 -4.76 105.19 109.20 1y42 n GLY 142 Ca -0.15 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 1y42 n GLY 142 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y42 s ASP 143 N -0.89 6.67 0.00 1.61 3.68 -1.26 -4.78 116.67 121.70 1y42 s ASP 143 Ca 0.00 2.01 0.27 0.00 2.13 0.00 0.00 52.55 56.97 1y42 s ASP 143 Cb 0.00 -2.53 1.38 0.00 -1.45 0.00 0.00 42.92 40.32 1y42 s ASP 143 CO 0.00 -0.96 1.94 -0.81 0.13 0.00 0.00 175.17 175.47 1y42 n PRO 144 N 7.13 0.40 -1.61 4.34 -0.04 -1.26 -4.95 135.00 139.01 1y42 n PRO 144 Ca 0.17 0.03 -0.54 0.00 -0.04 0.00 0.00 63.50 63.12 1y42 n PRO 144 Cb 0.44 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.33 1y42 n PRO 144 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1y42 n THR 145 N -1.28 0.06 0.00 0.52 5.66 -1.26 -4.97 114.28 113.00 1y42 n THR 145 Ca 0.13 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 1y42 n THR 145 Cb 0.22 -0.82 0.00 0.00 -1.55 0.00 0.00 70.33 68.17 1y42 n THR 145 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1y42 n GLY 146 N 2.77 0.04 5.00 1.09 0.00 -1.26 -5.10 105.19 107.73 1y42 n GLY 146 Ca 0.20 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1y42 n GLY 146 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1y42 n ASP 158 N 0.00 0.00 0.17 1.61 10.43 -1.26 -4.25 116.55 123.24 1y42 n ASP 158 Ca 0.00 0.00 0.02 0.00 2.57 0.00 0.00 54.79 57.38 1y42 n ASP 158 Cb 0.00 0.00 0.28 0.00 1.84 0.00 0.00 41.12 43.24 1y42 n ASP 158 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1y42 h ALA 159 N 0.00 1.13 0.13 2.24 0.00 -1.98 0.19 119.26 120.97 1y42 h ALA 159 Ca 0.00 -0.43 -0.17 0.00 0.00 0.00 0.00 54.91 54.31 1y42 h ALA 159 Cb 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.73 1y42 h ALA 159 CO 0.00 0.59 -0.73 1.15 0.00 0.00 0.00 179.25 180.26 1y42 h THR 160 N 0.00 1.54 -0.80 0.00 2.02 -1.98 -1.97 112.91 111.72 1y42 h THR 160 Ca -0.00 -2.52 0.04 0.00 0.77 0.00 0.00 66.41 64.70 1y42 h THR 160 Cb 0.88 3.23 -0.05 0.00 -1.74 0.00 0.00 68.15 70.47 1y42 h THR 160 CO 0.06 0.71 0.53 0.24 0.37 0.00 0.00 175.52 177.43 1y42 h MET 161 N -0.44 0.94 -0.75 6.66 2.07 -1.98 -0.22 114.93 121.21 1y42 h MET 161 Ca -0.13 -0.06 -0.04 0.00 -2.07 0.00 0.00 59.70 57.41 1y42 h MET 161 Cb 1.58 -0.21 -0.03 0.00 -1.87 0.00 0.00 31.60 31.06 1y42 h MET 161 CO 0.14 0.62 0.32 -0.91 1.07 0.00 0.00 176.91 178.15 1y42 h ASN 162 N 0.97 1.01 -0.73 1.22 2.35 -0.58 -1.69 115.58 118.12 1y42 h ASN 162 Ca 0.32 -0.16 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 1y42 h ASN 162 Cb 0.08 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 1y42 h ASN 162 CO -0.10 0.89 0.22 -0.03 -1.65 0.00 0.00 177.43 176.76 1y42 h MET 163 N 1.06 1.15 -0.37 0.81 4.05 -0.50 -0.67 114.93 120.46 1y42 h MET 163 Ca 0.25 -0.25 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 1y42 h MET 163 Cb 0.18 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 1y42 h MET 163 CO -0.03 0.98 0.08 1.15 0.23 0.00 0.00 176.91 179.33 1y42 h THR 164 N 1.09 1.23 -0.39 -0.77 2.02 -0.84 -2.19 112.91 113.05 1y42 h THR 164 Ca 0.24 -0.79 -0.06 0.00 0.77 0.00 0.00 66.41 66.56 1y42 h THR 164 Cb 0.32 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1y42 h THR 164 CO -0.01 0.27 0.01 0.11 0.37 0.00 0.00 175.52 176.28 1y42 h LYS 165 N 0.45 0.69 -0.72 6.66 1.57 -1.10 -1.75 116.57 122.37 1y42 h LYS 165 Ca 0.12 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1y42 h LYS 165 Cb 0.32 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1y42 h LYS 165 CO 0.00 0.77 0.21 0.82 -0.57 0.00 0.00 179.45 180.68 1y42 h ILE 166 N 0.52 1.26 0.15 1.86 2.04 -1.13 -0.08 117.51 122.13 1y42 h ILE 166 Ca 0.11 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 65.06 1y42 h ILE 166 Cb 0.45 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1y42 h ILE 166 CO 0.02 0.36 -0.24 -0.74 0.00 0.00 0.00 178.15 177.55 1y42 h HIS 167 N 1.08 -0.63 -0.65 1.37 2.76 -1.29 -0.17 115.15 117.61 1y42 h HIS 167 Ca 0.23 0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.55 1y42 h HIS 167 Cb 0.33 0.26 -0.11 0.00 1.55 0.00 0.00 27.41 29.44 1y42 h HIS 167 CO 0.03 -0.34 0.02 -0.92 -1.30 0.00 0.00 177.93 175.41 1y42 h TYR 168 N -0.46 -0.02 -0.31 5.26 5.03 -1.12 -0.50 116.97 124.85 1y42 h TYR 168 Ca 0.02 0.05 -0.13 0.00 2.58 0.00 0.00 58.73 61.24 1y42 h TYR 168 Cb 0.47 0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.84 1y42 h TYR 168 CO -0.20 -0.17 -0.35 1.96 -1.32 0.00 0.00 178.16 178.08 1y42 h GLN 169 N 0.13 0.69 -0.40 1.82 4.20 -0.69 -2.00 115.11 118.87 1y42 h GLN 169 Ca 0.34 -0.33 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 1y42 h GLN 169 Cb 0.57 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1y42 h GLN 169 CO -0.55 0.94 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.28 1y42 h LEU 170 N 0.58 0.78 -0.47 1.46 3.38 -0.72 -1.32 115.31 118.99 1y42 h LEU 170 Ca 0.06 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1y42 h LEU 170 Cb 0.87 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1y42 h LEU 170 CO 0.08 0.97 0.11 0.50 0.09 0.00 0.00 178.44 180.19 1y42 h LYS 171 N 0.68 0.76 -0.20 1.13 3.64 -0.95 -1.05 116.57 120.59 1y42 h LYS 171 Ca 0.10 -0.19 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1y42 h LYS 171 Cb 0.71 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1y42 h LYS 171 CO 0.05 0.75 0.12 -0.22 -2.27 0.00 0.00 179.45 177.88 1y42 h LYS 172 N 0.64 0.24 -0.27 1.90 3.64 -1.29 -1.93 116.57 119.50 1y42 h LYS 172 Ca 0.15 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1y42 h LYS 172 Cb 0.33 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1y42 h LYS 172 CO 0.00 0.16 0.10 1.25 -2.27 0.00 0.00 179.45 178.70 1y42 h LEU 173 N 0.25 0.39 -0.98 5.20 5.85 -1.14 -2.18 115.31 122.69 1y42 h LEU 173 Ca 0.08 -0.18 0.13 0.00 0.84 0.00 0.00 57.88 58.75 1y42 h LEU 173 Cb -0.01 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 40.83 1y42 h LEU 173 CO -0.03 0.46 0.61 -0.50 -0.34 0.00 0.00 178.44 178.64 1y42 h TRP 174 N 0.29 1.09 -0.79 1.25 -0.00 -1.15 0.94 115.95 117.58 1y42 h TRP 174 Ca 0.09 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 58.97 1y42 h TRP 174 Cb 0.20 -0.34 -0.04 0.00 -0.00 0.00 0.00 29.16 28.99 1y42 h TRP 174 CO -0.00 0.40 0.32 0.93 -0.00 0.00 0.00 178.44 180.08 1y42 h GLU 175 N 0.92 1.18 -0.39 0.49 5.08 -1.03 -1.75 114.58 119.08 1y42 h GLU 175 Ca 0.50 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.55 1y42 h GLU 175 Cb 0.55 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1y42 h GLU 175 CO -0.29 0.95 -0.17 -0.91 -1.00 0.00 0.00 179.01 177.59 1y42 h ASN 176 N 1.15 0.73 -0.27 1.42 -0.26 -0.59 -1.91 115.58 115.85 1y42 h ASN 176 Ca 0.26 -0.24 0.05 0.00 -0.56 0.00 0.00 56.30 55.82 1y42 h ASN 176 Cb 0.21 -0.20 -0.05 0.00 -1.06 0.00 0.00 38.32 37.22 1y42 h ASN 176 CO -0.02 0.91 -0.06 0.58 -1.06 0.00 0.00 177.43 177.77 1y42 h VAL 177 N 0.65 0.74 -0.59 2.81 2.07 -0.63 -0.21 116.25 121.10 1y42 h VAL 177 Ca 0.10 -0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.70 1y42 h VAL 177 Cb 0.65 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 1y42 h VAL 177 CO 0.05 0.00 0.25 0.44 0.02 0.00 0.00 177.57 178.33 1y42 h ASP 178 N 0.01 0.30 -0.48 0.57 3.45 -0.94 0.39 116.42 119.72 1y42 h ASP 178 Ca 0.13 0.06 0.05 0.00 0.43 0.00 0.00 57.03 57.70 1y42 h ASP 178 Cb 0.19 0.02 -0.05 0.00 -0.56 0.00 0.00 39.33 38.94 1y42 h ASP 178 CO -0.27 0.19 0.22 0.74 -1.57 0.00 0.00 179.24 178.55 1y42 h THR 179 N 0.46 0.92 -0.43 0.35 2.02 -0.96 -1.44 112.91 113.83 1y42 h THR 179 Ca 0.29 -0.15 -0.11 0.00 0.77 0.00 0.00 66.41 67.21 1y42 h THR 179 Cb 0.30 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1y42 h THR 179 CO -0.26 0.08 -0.18 1.56 0.37 0.00 0.00 175.52 177.09 1y42 h GLN 180 N 0.44 0.82 -0.36 6.66 1.08 0.02 -1.53 115.11 122.25 1y42 h GLN 180 Ca 0.22 -0.31 0.06 0.00 -1.45 0.00 0.00 58.65 57.16 1y42 h GLN 180 Cb 0.16 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.49 1y42 h GLN 180 CO -0.17 0.94 0.03 1.98 -0.95 0.00 0.00 178.83 180.66 1y42 h MET 181 N 0.72 0.14 -0.90 1.46 4.05 0.41 0.11 114.93 120.92 1y42 h MET 181 Ca 0.11 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 1y42 h MET 181 Cb 0.69 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.42 1y42 h MET 181 CO 0.05 0.09 0.52 0.00 0.23 0.00 0.00 176.91 177.80 1y42 h ARG 182 N 0.14 1.24 0.00 0.39 3.08 -1.14 -2.52 114.38 115.57 1y42 h ARG 182 Ca 0.17 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 1y42 h ARG 182 Cb 0.22 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1y42 h ARG 182 CO -0.26 0.89 -0.36 0.00 -1.07 0.00 0.00 179.97 179.17 1y42 h ALA 183 N 1.28 0.91 -0.56 0.04 0.00 -0.40 -3.03 119.26 117.50 1y42 h ALA 183 Ca 0.32 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1y42 h ALA 183 Cb -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1y42 h ALA 183 CO -0.06 0.45 0.00 0.54 0.00 0.00 0.00 179.25 180.19 1y42 n ARG 184 N -3.39 2.64 -0.74 0.00 5.12 0.29 -4.95 116.66 115.64 1y42 n ARG 184 Ca 0.01 -2.16 0.00 0.00 -1.93 0.00 0.00 57.85 53.77 1y42 n ARG 184 Cb 0.55 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 30.29 1y42 n ARG 184 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1y42 n GLY 185 N 1.26 0.57 3.79 -0.13 0.00 -1.14 -5.04 105.19 104.50 1y42 n GLY 185 Ca 0.20 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 1y42 n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y42 s TYR 186 N -2.00 3.87 0.38 1.61 1.51 -0.96 -5.05 117.35 116.70 1y42 s TYR 186 Ca 0.00 1.49 -0.04 0.00 -1.01 0.00 0.00 57.07 57.51 1y42 s TYR 186 Cb 0.00 -2.66 -0.04 0.00 -0.11 0.00 0.00 41.96 39.15 1y42 s TYR 186 CO 0.00 0.54 0.65 -1.21 -1.11 0.00 0.00 175.55 174.42 1y42 s GLU 187 N -1.15 3.58 0.48 -0.62 2.02 -1.26 -4.57 118.70 117.19 1y42 s GLU 187 Ca 0.33 0.02 -0.24 0.00 0.02 0.00 0.00 54.97 55.11 1y42 s GLU 187 Cb -0.22 -2.54 -0.07 0.00 0.10 0.00 0.00 34.13 31.41 1y42 s GLU 187 CO 0.23 0.04 1.38 0.00 0.02 0.00 0.00 175.26 176.93 1y42 s ALA 188 N -2.39 3.07 -0.17 5.21 0.00 -1.26 -5.01 121.76 121.21 1y42 s ALA 188 Ca 0.45 1.37 -0.04 0.00 0.00 0.00 0.00 51.96 53.74 1y42 s ALA 188 Cb -0.10 -3.56 0.08 0.00 0.00 0.00 0.00 23.12 19.53 1y42 s ALA 188 CO 0.36 -1.21 0.22 0.34 0.00 0.00 0.00 175.76 175.48 1y42 s ASP 189 N -0.74 1.01 0.34 0.00 -1.08 -1.26 -5.03 116.67 109.91 1y42 s ASP 189 Ca 0.65 0.07 0.12 0.00 -0.52 0.00 0.00 52.55 52.87 1y42 s ASP 189 Cb -0.41 0.45 0.95 0.00 -1.46 0.00 0.00 42.92 42.45 1y42 s ASP 189 CO 0.51 -0.29 1.74 -0.25 0.52 0.00 0.00 175.17 177.41 1y42 h TRP 190 N 8.31 0.91 0.00 -5.34 7.01 -1.99 -2.05 115.95 122.81 1y42 h TRP 190 Ca -0.16 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.87 1y42 h TRP 190 Cb 1.14 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.94 1y42 h TRP 190 CO 0.24 0.07 -0.37 0.00 -2.79 0.00 0.00 178.44 175.60 1y42 n ALA 191 N -2.36 3.10 -1.88 2.65 0.00 -1.26 -4.80 120.51 115.96 1y42 n ALA 191 Ca 0.26 -0.26 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 1y42 n ALA 191 Cb 0.78 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 1y42 n ALA 191 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1y42 s ARG 192 N -3.02 4.22 -0.03 0.00 3.52 -0.77 -4.62 118.95 118.25 1y42 s ARG 192 Ca 0.11 2.37 -0.05 0.00 -0.13 0.00 0.00 55.73 58.04 1y42 s ARG 192 Cb 0.17 -3.11 0.01 0.00 -1.56 0.00 0.00 34.95 30.46 1y42 s ARG 192 CO 0.65 -0.53 0.11 0.21 -0.81 0.00 0.00 175.30 174.93 1y42 s LYS 193 N 0.23 0.23 0.06 5.12 2.20 -0.86 -4.98 119.74 121.73 1y42 s LYS 193 Ca 0.64 -0.03 0.05 0.00 -0.36 0.00 0.00 55.97 56.27 1y42 s LYS 193 Cb -0.44 0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 35.96 1y42 s LYS 193 CO 0.39 -0.04 -0.13 -0.98 -0.36 0.00 0.00 175.35 174.23 1y42 s ARG 194 N -0.41 0.80 0.20 4.03 1.70 -1.26 -0.38 118.95 123.63 1y42 s ARG 194 Ca -0.05 -0.87 -0.21 0.00 -0.47 0.00 0.00 55.73 54.14 1y42 s ARG 194 Cb -0.03 -0.77 0.04 0.00 -0.57 0.00 0.00 34.95 33.62 1y42 s ARG 194 CO 0.00 0.17 0.60 0.20 -1.08 0.00 0.00 175.30 175.20 1y42 s GLY 195 N -1.54 -0.32 -0.13 3.88 0.00 -0.31 -4.93 107.32 103.96 1y42 s GLY 195 Ca -0.02 0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.79 1y42 s GLY 195 CO 0.02 -0.04 -0.20 -0.42 0.00 0.00 0.00 173.10 172.45 1y42 s ILE 196 N -3.83 1.92 0.00 0.90 1.01 -1.26 -1.33 121.20 118.62 1y42 s ILE 196 Ca 0.06 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 59.86 1y42 s ILE 196 Cb -0.02 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 1y42 s ILE 196 CO -0.05 0.52 -0.16 -0.69 0.00 0.00 0.00 174.94 174.56 1y42 s VAL 197 N 0.85 1.30 -0.15 2.92 1.01 -0.90 -4.99 120.40 120.44 1y42 s VAL 197 Ca -0.07 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 1y42 s VAL 197 Cb -0.15 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 1y42 s VAL 197 CO -0.02 0.28 -0.10 0.21 0.00 0.00 0.00 175.10 175.48 1y42 s ASN 198 N -0.61 4.22 0.00 3.32 3.84 -1.26 0.52 114.94 124.97 1y42 s ASN 198 Ca 0.06 -0.29 0.14 0.00 0.21 0.00 0.00 52.86 52.98 1y42 s ASN 198 Cb -0.07 -1.67 0.61 0.00 -0.55 0.00 0.00 41.25 39.58 1y42 s ASN 198 CO 0.00 0.14 1.46 -0.46 -2.79 0.00 0.00 177.10 175.45 1y42 n ASN 199 N 3.71 0.00 0.31 -4.21 0.23 -0.28 -1.54 115.26 113.48 1y42 n ASN 199 Ca -0.18 0.49 0.21 0.00 -0.53 0.00 0.00 54.58 54.57 1y42 n ASN 199 Cb 0.52 -0.50 1.11 0.00 -2.08 0.00 0.00 39.78 38.84 1y42 n ASN 199 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1y42 h ASN 200 N 0.00 0.00 -0.97 0.53 7.08 -1.91 -0.71 115.58 119.60 1y42 h ASN 200 Ca 0.00 0.00 0.07 0.00 -3.08 0.00 0.00 56.30 53.29 1y42 h ASN 200 Cb 0.24 0.00 -0.07 0.00 -2.08 0.00 0.00 38.32 36.42 1y42 h ASN 200 CO 0.00 0.00 0.62 -0.74 -2.08 0.00 0.00 177.43 175.23 1y42 h HIS 201 N 0.00 1.13 0.00 4.14 2.76 -1.68 -2.53 115.15 118.97 1y42 h HIS 201 Ca 0.00 0.03 -0.32 0.00 -2.20 0.00 0.00 60.37 57.88 1y42 h HIS 201 Cb 0.00 -0.37 -0.06 0.00 1.55 0.00 0.00 27.41 28.54 1y42 h HIS 201 CO 0.00 0.57 -2.21 -2.67 -1.30 0.00 0.00 177.93 172.32 1y42 n TRP 202 N -4.51 0.00 0.23 5.26 2.14 -0.86 -4.68 117.44 115.03 1y42 n TRP 202 Ca 0.15 0.00 0.09 0.00 2.07 0.00 0.00 57.50 59.81 1y42 n TRP 202 Cb 0.21 -0.84 0.56 0.00 -0.81 0.00 0.00 31.31 30.43 1y42 n TRP 202 CO 0.00 0.00 0.00 -1.49 2.07 0.00 0.00 177.69 178.27 1y42 h TRP 203 N 0.00 0.00 -0.93 -2.67 -0.00 -1.14 -0.81 115.95 110.41 1y42 h TRP 203 Ca -0.47 0.00 0.07 0.00 -0.00 0.00 0.00 58.89 58.48 1y42 h TRP 203 Cb 1.92 0.00 -0.06 0.00 -0.00 0.00 0.00 29.16 31.02 1y42 h TRP 203 CO 0.01 0.22 0.60 -0.91 -0.00 0.00 0.00 178.44 178.36 1y42 h ASN 204 N 0.00 0.93 0.00 -3.49 2.35 -1.70 -3.29 115.58 110.38 1y42 h ASN 204 Ca -0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1y42 h ASN 204 Cb 0.52 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1y42 h ASN 204 CO 0.03 0.60 0.00 0.29 -1.65 0.00 0.00 177.43 176.70 1y42 n LYS 205 N -4.49 5.82 -1.60 0.81 5.02 -1.18 -5.04 118.16 117.50 1y42 n LYS 205 Ca 0.14 -0.07 -0.45 0.00 -2.02 0.00 0.00 58.31 55.91 1y42 n LYS 205 Cb 0.20 -0.56 -0.04 0.00 -0.02 0.00 0.00 35.03 34.60 1y42 n LYS 205 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1y42 n GLN 206 N -0.85 2.01 -1.69 1.97 -0.06 -0.32 -4.90 117.38 113.54 1y42 n GLN 206 Ca 0.00 0.62 -0.44 0.00 -2.00 0.00 0.00 57.00 55.18 1y42 n GLN 206 Cb 0.00 -2.99 -0.03 0.00 -4.06 0.00 0.00 30.24 23.16 1y42 n GLN 206 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1y42 n PRO 207 N 8.16 2.34 -0.28 3.69 -0.02 -1.26 -4.92 135.00 142.71 1y42 n PRO 207 Ca 0.29 0.84 0.03 0.00 -2.02 0.00 0.00 63.50 62.64 1y42 n PRO 207 Cb 0.38 -2.61 0.17 0.00 -0.02 0.00 0.00 33.50 31.42 1y42 n PRO 207 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1y42 h MET 208 N 5.71 0.71 0.09 -0.52 4.05 -2.00 -2.88 114.93 120.08 1y42 h MET 208 Ca -0.45 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 58.93 1y42 h MET 208 Cb 1.24 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.88 1y42 h MET 208 CO 0.87 0.47 -0.04 1.25 0.23 0.00 0.00 176.91 179.69 1y42 h LEU 209 N 0.73 -0.10 -0.93 3.39 6.46 -1.99 -0.69 115.31 122.18 1y42 h LEU 209 Ca 0.39 -0.01 0.06 0.00 -0.12 0.00 0.00 57.88 58.21 1y42 h LEU 209 Cb 0.39 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.29 1y42 h LEU 209 CO -0.26 -0.06 0.59 -0.08 -0.62 0.00 0.00 178.44 178.01 1y42 h GLU 210 N -0.13 1.05 -0.49 1.25 4.81 -1.94 0.16 114.58 119.29 1y42 h GLU 210 Ca -0.01 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1y42 h GLU 210 Cb 0.11 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1y42 h GLU 210 CO 0.02 0.69 0.14 0.28 -0.73 0.00 0.00 179.01 179.41 1y42 h VAL 211 N 1.08 1.23 -0.46 0.32 2.07 -1.25 -0.81 116.25 118.44 1y42 h VAL 211 Ca 0.40 -0.80 -0.11 0.00 0.82 0.00 0.00 66.70 67.01 1y42 h VAL 211 Cb 0.16 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1y42 h VAL 211 CO -0.17 0.29 -0.15 -0.07 0.02 0.00 0.00 177.57 177.49 1y42 h LEU 212 N 0.66 0.88 -0.55 2.57 3.38 -0.58 -1.38 115.31 120.30 1y42 h LEU 212 Ca 0.16 -0.30 -0.15 0.00 0.09 0.00 0.00 57.88 57.68 1y42 h LEU 212 Cb 0.30 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1y42 h LEU 212 CO -0.00 1.03 -0.47 0.03 0.09 0.00 0.00 178.44 179.12 1y42 h ARG 213 N 0.78 0.62 0.02 1.13 3.08 -0.76 0.13 114.38 119.38 1y42 h ARG 213 Ca 0.12 -0.35 -0.23 0.00 0.07 0.00 0.00 59.98 59.59 1y42 h ARG 213 Cb 0.68 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 1y42 h ARG 213 CO 0.05 0.96 -1.12 0.00 -1.07 0.00 0.00 179.97 178.79 1y42 h ARG 214 N 0.49 0.05 0.00 0.04 2.47 -1.00 -3.41 114.38 113.02 1y42 h ARG 214 Ca 0.03 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1y42 h ARG 214 Cb 1.01 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 1y42 h ARG 214 CO 0.09 0.99 -0.49 1.33 0.56 0.00 0.00 179.97 182.45 1y42 n VAL 215 N -3.35 0.00 0.21 2.04 0.24 -0.53 -3.58 118.33 113.35 1y42 n VAL 215 Ca -0.03 -0.01 0.07 0.00 -2.04 0.00 0.00 64.34 62.33 1y42 n VAL 215 Cb 0.97 0.28 0.43 0.00 -1.47 0.00 0.00 33.84 34.05 1y42 n VAL 215 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1y42 h GLY 216 N 0.00 0.00 1.87 7.63 0.00 -0.71 -1.91 103.07 109.95 1y42 h GLY 216 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1y42 h GLY 216 CO 0.00 0.00 -0.10 0.45 0.00 0.00 0.00 176.54 176.89 1y42 h HIS 217 N 0.00 0.00 0.00 5.60 3.86 -1.83 -3.32 115.15 119.46 1y42 h HIS 217 Ca -0.00 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 1y42 h HIS 217 Cb 0.73 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.19 1y42 h HIS 217 CO 0.00 0.00 -1.83 0.00 0.86 0.00 0.00 177.93 176.96 1y42 n ALA 218 N -1.82 2.38 -2.61 2.45 0.00 -0.74 -4.86 120.51 115.32 1y42 n ALA 218 Ca 0.05 -0.64 -0.39 0.00 0.00 0.00 0.00 53.44 52.46 1y42 n ALA 218 Cb 0.44 -0.73 -0.09 0.00 0.00 0.00 0.00 19.45 19.08 1y42 n ALA 218 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1y42 s LEU 219 N -5.03 4.04 0.02 0.00 2.01 -1.09 -5.07 118.68 113.57 1y42 s LEU 219 Ca -0.06 0.34 -0.12 0.00 0.01 0.00 0.00 54.13 54.29 1y42 s LEU 219 Cb 0.11 -2.47 -0.06 0.00 0.01 0.00 0.00 46.19 43.79 1y42 s LEU 219 CO 0.86 -0.20 0.38 -0.13 1.01 0.00 0.00 176.35 178.28 1y42 s ARG 220 N 2.08 3.82 0.34 1.70 1.81 -1.26 -4.95 118.95 122.49 1y42 s ARG 220 Ca 0.16 0.29 0.27 0.00 -1.72 0.00 0.00 55.73 54.72 1y42 s ARG 220 Cb -0.16 -3.14 0.92 0.00 -0.45 0.00 0.00 34.95 32.12 1y42 s ARG 220 CO 0.10 0.65 1.78 -0.84 -0.68 0.00 0.00 175.30 176.30 1y42 h ILE 221 N 3.42 0.00 0.61 1.52 3.07 -1.97 -3.32 117.51 120.84 1y42 h ILE 221 Ca -0.51 -0.49 -0.03 0.00 1.55 0.00 0.00 64.86 65.38 1y42 h ILE 221 Cb 1.21 1.41 0.01 0.00 -0.27 0.00 0.00 36.82 39.17 1y42 h ILE 221 CO 0.63 0.00 -0.30 1.23 -1.05 0.00 0.00 178.15 178.66 1y42 h GLY 222 N 3.12 -0.86 0.22 0.16 0.00 -1.97 0.45 103.07 104.18 1y42 h GLY 222 Ca 0.00 0.32 0.20 0.00 0.00 0.00 0.00 47.33 47.85 1y42 h GLY 222 CO 0.00 -0.31 0.61 -2.55 0.00 0.00 0.00 176.54 174.29 1y42 h PRO 223 N -1.08 0.57 -0.52 4.80 0.11 -1.84 2.28 132.00 136.32 1y42 h PRO 223 Ca -0.08 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.91 1y42 h PRO 223 Cb 0.68 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.64 1y42 h PRO 223 CO 0.14 0.38 0.01 0.52 -0.21 0.00 0.00 178.00 178.84 1y42 h MET 224 N 0.59 0.91 -0.01 1.05 2.86 -1.57 -3.26 114.93 115.49 1y42 h MET 224 Ca 0.52 -0.29 -0.07 0.00 -2.06 0.00 0.00 59.70 57.81 1y42 h MET 224 Cb 1.04 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.62 1y42 h MET 224 CO -0.27 0.93 -0.28 -0.07 1.06 0.00 0.00 176.91 178.28 1y42 h LEU 225 N 0.78 0.26 -6.93 1.22 3.38 0.20 -3.31 115.31 110.90 1y42 h LEU 225 Ca 0.15 -0.75 -0.65 0.00 0.09 0.00 0.00 57.88 56.72 1y42 h LEU 225 Cb 0.51 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1y42 h LEU 225 CO 0.02 0.98 2.46 -1.54 0.09 0.00 0.00 178.44 180.45 1y42 n SER 226 N -4.48 3.95 -3.73 -0.43 3.41 0.75 -4.10 113.62 108.99 1y42 n SER 226 Ca -0.10 -2.83 -0.13 0.00 -0.26 0.00 0.00 58.87 55.56 1y42 n SER 226 Cb 0.51 -1.62 -0.10 0.00 -0.26 0.00 0.00 64.21 62.74 1y42 n SER 226 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1y42 s ARG 227 N 4.19 0.49 0.26 4.33 0.52 -1.25 -4.69 118.95 122.80 1y42 s ARG 227 Ca 0.53 0.60 -0.03 0.00 -0.52 0.00 0.00 55.73 56.32 1y42 s ARG 227 Cb 0.09 0.22 0.41 0.00 0.52 0.00 0.00 34.95 36.19 1y42 s ARG 227 CO 0.02 -0.07 1.86 -0.44 0.02 0.00 0.00 175.30 176.70 1y42 h ASP 228 N 5.58 0.93 -0.17 0.23 3.32 -1.92 -1.76 116.42 122.64 1y42 h ASP 228 Ca -0.28 0.02 0.02 0.00 0.02 0.00 0.00 57.03 56.82 1y42 h ASP 228 Cb 1.18 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 1y42 h ASP 228 CO 0.24 0.57 0.02 0.74 -1.72 0.00 0.00 179.24 179.10 1y42 h THR 229 N 1.05 0.91 0.00 0.35 2.02 -1.95 1.06 112.91 116.35 1y42 h THR 229 Ca 0.42 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 67.52 1y42 h THR 229 Cb 0.24 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1y42 h THR 229 CO -0.19 0.02 -0.26 0.58 0.37 0.00 0.00 175.52 176.03 1y42 h VAL 230 N 0.09 0.66 0.12 3.16 2.07 -1.72 -2.09 116.25 118.54 1y42 h VAL 230 Ca 0.08 -1.17 -0.32 0.00 0.82 0.00 0.00 66.70 66.10 1y42 h VAL 230 Cb 0.08 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1y42 h VAL 230 CO -0.11 0.25 -1.68 0.11 0.02 0.00 0.00 177.57 176.17 1y42 h LYS 231 N 0.00 0.26 0.00 1.57 1.57 -1.15 -3.34 116.57 115.47 1y42 h LYS 231 Ca -0.00 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1y42 h LYS 231 Cb 0.74 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1y42 h LYS 231 CO 0.03 1.11 0.00 0.09 -0.57 0.00 0.00 179.45 180.12 1y42 n ASN 232 N -3.45 0.00 0.00 0.86 5.03 0.36 -1.38 115.26 116.69 1y42 n ASN 232 Ca -0.21 0.66 0.04 0.00 0.87 0.00 0.00 54.58 55.94 1y42 n ASN 232 Cb 1.05 -0.16 0.19 0.00 -1.02 0.00 0.00 39.78 39.84 1y42 n ASN 232 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1y42 n LYS 233 N -1.09 0.05 -0.03 3.52 2.85 -0.82 -1.32 118.16 121.33 1y42 n LYS 233 Ca 0.00 0.30 -0.14 0.00 -1.05 0.00 0.00 58.31 57.42 1y42 n LYS 233 Cb 0.00 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 32.74 1y42 n LYS 233 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 1y42 n MET 234 N -1.42 0.68 0.00 -1.58 1.56 -1.22 -2.87 117.12 112.27 1y42 n MET 234 Ca 0.03 0.25 0.00 0.00 -0.27 0.00 0.00 57.70 57.71 1y42 n MET 234 Cb 0.09 -1.72 0.00 0.00 2.15 0.00 0.00 33.22 33.73 1y42 n MET 234 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 1y42 n THR 235 N -3.18 0.00 -2.41 1.12 -1.04 -0.43 -4.82 114.28 103.51 1y42 n THR 235 Ca -0.25 0.02 -0.39 0.00 -2.04 0.00 0.00 64.05 61.39 1y42 n THR 235 Cb 1.06 -0.10 -0.03 0.00 -1.82 0.00 0.00 70.33 69.44 1y42 n THR 235 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1y42 s GLN 236 N 0.00 4.33 0.00 -2.82 -1.52 -0.66 -4.78 119.66 114.21 1y42 s GLN 236 Ca 0.00 1.77 0.00 0.00 -1.95 0.00 0.00 55.36 55.18 1y42 s GLN 236 Cb 0.00 -2.87 0.00 0.00 -0.22 0.00 0.00 33.01 29.92 1y42 s GLN 236 CO 0.00 -0.06 0.00 0.41 -0.25 0.00 0.00 175.29 175.39 1y42 n GLY 237 N 0.79 -1.19 0.00 3.09 0.00 -1.26 -3.29 105.19 103.34 1y42 n GLY 237 Ca 0.02 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1y42 n GLY 237 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1y42 n ASP 238 N -1.52 0.00 -2.26 1.61 8.00 -1.14 -4.53 116.55 116.72 1y42 n ASP 238 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 1y42 n ASP 238 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1y42 n ASP 238 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y42 n GLY 239 N 0.77 3.29 3.30 0.44 0.00 -1.23 -4.12 105.19 107.64 1y42 n GLY 239 Ca 0.00 -2.19 -0.35 0.00 0.00 0.00 0.00 46.02 43.48 1y42 n GLY 239 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y42 s VAL 240 N -0.47 3.35 0.62 1.61 0.11 -1.26 -4.58 120.40 119.78 1y42 s VAL 240 Ca 0.02 -0.58 -0.18 0.00 -2.93 0.00 0.00 61.98 58.32 1y42 s VAL 240 Cb -0.00 -2.56 -0.02 0.00 -1.53 0.00 0.00 36.38 32.27 1y42 s VAL 240 CO 0.01 0.37 1.20 -0.94 -3.33 0.00 0.00 175.10 172.41 1y42 s SER 241 N 1.46 5.01 0.27 3.54 1.04 -1.26 -4.85 113.70 118.91 1y42 s SER 241 Ca 0.05 2.36 0.00 0.00 0.48 0.00 0.00 55.95 58.84 1y42 s SER 241 Cb -0.15 -2.59 0.54 0.00 0.10 0.00 0.00 66.02 63.92 1y42 s SER 241 CO -0.03 -1.72 1.79 0.15 0.98 0.00 0.00 173.24 174.42 1y42 h PHE 242 N 0.63 0.94 -0.20 5.02 3.57 -2.00 -0.33 116.94 124.57 1y42 h PHE 242 Ca -0.50 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.06 1y42 h PHE 242 Cb 1.29 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 1y42 h PHE 242 CO 0.47 0.30 0.05 0.00 -2.23 0.00 0.00 178.31 176.90 1y42 h ALA 243 N 1.55 0.21 -0.54 2.41 0.00 -1.97 -1.48 119.26 119.44 1y42 h ALA 243 Ca 0.48 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.49 1y42 h ALA 243 Cb 0.59 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1y42 h ALA 243 CO -0.32 -0.37 0.22 0.93 0.00 0.00 0.00 179.25 179.71 1y42 h GLU 244 N 0.14 0.40 -0.10 0.00 5.08 -1.69 -1.43 114.58 116.98 1y42 h GLU 244 Ca 0.09 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1y42 h GLU 244 Cb 0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1y42 h GLU 244 CO -0.10 0.27 -0.07 0.35 -1.00 0.00 0.00 179.01 178.45 1y42 h PHE 245 N 0.42 0.15 0.00 4.33 3.04 -0.85 -2.90 116.94 121.12 1y42 h PHE 245 Ca 0.26 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.20 1y42 h PHE 245 Cb 0.26 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.73 1y42 h PHE 245 CO -0.15 0.22 -0.66 1.15 -2.02 0.00 0.00 178.31 176.86 1y42 h THR 246 N 0.14 0.00 -0.70 4.41 2.02 -0.65 -3.39 112.91 114.74 1y42 h THR 246 Ca 0.03 -0.87 0.12 0.00 0.77 0.00 0.00 66.41 66.47 1y42 h THR 246 Cb 0.23 1.52 -0.13 0.00 -1.74 0.00 0.00 68.15 68.02 1y42 h THR 246 CO 0.01 0.00 -0.31 0.22 0.37 0.00 0.00 175.52 175.81 1y42 h TYR 247 N 0.00 -0.85 -0.08 3.16 3.20 -1.06 -0.45 116.97 120.89 1y42 h TYR 247 Ca 0.00 0.08 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1y42 h TYR 247 Cb 0.93 0.48 -0.00 0.00 1.54 0.00 0.00 36.73 39.68 1y42 h TYR 247 CO 0.00 -0.38 0.06 -1.00 -1.64 0.00 0.00 178.16 175.21 1y42 h PRO 248 N -0.10 0.00 -0.22 1.82 0.13 -1.77 -1.41 132.00 130.45 1y42 h PRO 248 Ca 0.28 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.24 1y42 h PRO 248 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1y42 h PRO 248 CO -0.76 0.00 -0.52 0.82 -0.23 0.00 0.00 178.00 177.31 1y42 h ILE 249 N 0.00 1.30 -0.51 -3.56 1.08 -1.38 -1.42 117.51 113.02 1y42 h ILE 249 Ca 0.04 -1.73 -0.09 0.00 -0.39 0.00 0.00 64.86 62.68 1y42 h ILE 249 Cb 0.17 1.82 -0.02 0.00 -3.07 0.00 0.00 36.82 35.72 1y42 h ILE 249 CO -0.00 0.55 -0.04 0.24 -0.69 0.00 0.00 178.15 178.21 1y42 h MET 250 N 0.46 0.90 -0.00 2.37 2.86 -0.68 -0.75 114.93 120.09 1y42 h MET 250 Ca -0.00 -0.28 -0.12 0.00 -2.06 0.00 0.00 59.70 57.24 1y42 h MET 250 Cb 1.14 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 1y42 h MET 250 CO 0.11 0.92 -0.55 0.37 1.06 0.00 0.00 176.91 178.82 1y42 h GLN 251 N 0.82 0.01 -0.27 1.72 4.15 -1.23 -0.30 115.11 120.02 1y42 h GLN 251 Ca 0.15 -0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.41 1y42 h GLN 251 Cb 0.54 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 1y42 h GLN 251 CO 0.03 0.56 -0.40 0.78 -1.93 0.00 0.00 178.83 177.87 1y42 h GLY 252 N 1.64 0.82 1.26 2.39 0.00 -0.80 -2.38 103.07 105.99 1y42 h GLY 252 Ca -0.01 -0.91 -0.04 0.00 0.00 0.00 0.00 47.33 46.37 1y42 h GLY 252 CO 0.07 0.82 0.22 -0.25 0.00 0.00 0.00 176.54 177.41 1y42 h TRP 253 N 0.49 0.96 -0.23 5.60 2.91 -0.86 -0.98 115.95 123.84 1y42 h TRP 253 Ca 0.03 -0.07 0.06 0.00 1.13 0.00 0.00 58.89 60.04 1y42 h TRP 253 Cb 1.00 -0.29 -0.07 0.00 -0.51 0.00 0.00 29.16 29.29 1y42 h TRP 253 CO 0.08 0.75 -0.30 -0.44 -1.03 0.00 0.00 178.44 177.50 1y42 h ASP 254 N 0.92 -0.94 -0.52 2.65 3.32 -0.89 0.11 116.42 121.07 1y42 h ASP 254 Ca 0.21 0.15 0.06 0.00 0.02 0.00 0.00 57.03 57.47 1y42 h ASP 254 Cb 0.22 0.42 -0.05 0.00 0.22 0.00 0.00 39.33 40.15 1y42 h ASP 254 CO -0.01 -0.32 0.24 -0.25 -1.72 0.00 0.00 179.24 177.17 1y42 h TRP 255 N -0.32 0.43 -0.71 4.55 2.91 -1.06 -0.17 115.95 121.58 1y42 h TRP 255 Ca 0.13 0.02 0.11 0.00 1.13 0.00 0.00 58.89 60.28 1y42 h TRP 255 Cb 0.52 -0.12 -0.08 0.00 -0.51 0.00 0.00 29.16 28.97 1y42 h TRP 255 CO -0.43 0.19 0.32 0.35 -1.03 0.00 0.00 178.44 177.84 1y42 h PHE 256 N 0.46 0.57 -0.56 2.65 3.57 -0.61 0.21 116.94 123.23 1y42 h PHE 256 Ca 0.24 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 1y42 h PHE 256 Cb 0.19 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 1y42 h PHE 256 CO -0.12 0.16 0.19 0.93 -2.23 0.00 0.00 178.31 177.25 1y42 h GLU 257 N 0.53 0.86 -0.17 1.11 4.39 -0.15 0.76 114.58 121.92 1y42 h GLU 257 Ca 0.36 -0.18 -0.11 0.00 0.34 0.00 0.00 59.36 59.77 1y42 h GLU 257 Cb 0.44 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1y42 h GLU 257 CO -0.31 0.77 -0.39 -0.07 -1.16 0.00 0.00 179.01 177.85 1y42 h LEU 258 N 0.78 0.39 0.30 1.33 3.38 -0.58 0.18 115.31 121.09 1y42 h LEU 258 Ca 0.18 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1y42 h LEU 258 Cb 0.25 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1y42 h LEU 258 CO -0.01 0.74 -0.14 0.15 0.09 0.00 0.00 178.44 179.27 1y42 h PHE 259 N 0.31 -0.38 -0.16 1.13 3.04 -0.19 0.37 116.94 121.06 1y42 h PHE 259 Ca 0.03 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.01 1y42 h PHE 259 Cb 0.82 0.12 -0.03 0.00 2.56 0.00 0.00 35.95 39.42 1y42 h PHE 259 CO 0.02 -0.12 -0.06 -0.92 -2.02 0.00 0.00 178.31 175.22 1y42 h TYR 260 N -0.58 -0.13 0.13 0.41 3.20 -0.76 0.11 116.97 119.35 1y42 h TYR 260 Ca -0.04 0.02 -0.29 0.00 3.14 0.00 0.00 58.73 61.55 1y42 h TYR 260 Cb 0.42 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.77 1y42 h TYR 260 CO -0.01 -0.09 -1.40 1.96 -1.64 0.00 0.00 178.16 176.98 1y42 h GLN 261 N -0.03 0.27 0.00 1.82 4.20 -0.69 -3.40 115.11 117.28 1y42 h GLN 261 Ca 0.08 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1y42 h GLN 261 Cb 0.15 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1y42 h GLN 261 CO -0.18 1.18 0.00 1.04 -0.67 0.00 0.00 178.83 180.19 1y42 n GLN 262 N -3.50 0.00 -1.29 1.46 1.13 0.08 -5.01 117.38 110.25 1y42 n GLN 262 Ca -0.13 -0.28 -0.01 0.00 -1.94 0.00 0.00 57.00 54.64 1y42 n GLN 262 Cb 1.04 -0.75 -0.00 0.00 0.11 0.00 0.00 30.24 30.63 1y42 n GLN 262 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1y42 n GLY 263 N 0.08 0.45 3.63 1.08 0.00 0.03 -4.70 105.19 105.76 1y42 n GLY 263 Ca 0.00 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 1y42 n GLY 263 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y42 s VAL 264 N -2.06 4.43 -0.77 1.61 1.01 -0.99 -2.96 120.40 120.67 1y42 s VAL 264 Ca 0.00 1.62 0.14 0.00 0.00 0.00 0.00 61.98 63.74 1y42 s VAL 264 Cb 0.00 -4.43 -0.13 0.00 0.00 0.00 0.00 36.38 31.82 1y42 s VAL 264 CO 0.00 -0.57 0.63 0.00 0.00 0.00 0.00 175.10 175.15 1y42 n GLN 265 N 7.07 2.28 -4.74 2.72 6.02 -0.49 -3.69 117.38 126.56 1y42 n GLN 265 Ca 0.12 -0.11 -0.25 0.00 -0.01 0.00 0.00 57.00 56.75 1y42 n GLN 265 Cb 0.47 -1.17 -0.16 0.00 1.02 0.00 0.00 30.24 30.40 1y42 n GLN 265 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1y42 s MET 266 N -2.24 1.63 -0.13 -1.09 1.75 -0.97 -0.66 119.30 117.59 1y42 s MET 266 Ca 0.06 -0.54 0.00 0.00 -1.25 0.00 0.00 55.69 53.97 1y42 s MET 266 Cb 0.11 -1.42 -0.01 0.00 2.84 0.00 0.00 34.83 36.34 1y42 s MET 266 CO 0.55 0.20 -0.14 -1.14 -0.65 0.00 0.00 175.02 173.84 1y42 s GLN 267 N 0.11 3.33 -0.17 4.11 0.74 -0.94 -1.47 119.66 125.38 1y42 s GLN 267 Ca -0.05 -0.71 -0.06 0.00 0.05 0.00 0.00 55.36 54.59 1y42 s GLN 267 Cb -0.11 -2.61 -0.04 0.00 1.10 0.00 0.00 33.01 31.35 1y42 s GLN 267 CO 0.02 0.18 0.04 0.42 -0.55 0.00 0.00 175.29 175.39 1y42 s ILE 268 N 0.44 4.58 0.15 -2.34 1.01 0.17 -2.07 121.20 123.13 1y42 s ILE 268 Ca -0.11 -0.11 0.11 0.00 0.00 0.00 0.00 60.65 60.54 1y42 s ILE 268 Cb -0.16 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 1y42 s ILE 268 CO 0.05 0.48 -0.25 -0.83 0.00 0.00 0.00 174.94 174.39 1y42 s GLY 269 N 0.30 1.60 1.02 6.18 0.00 -0.34 -4.32 107.32 111.75 1y42 s GLY 269 Ca 0.02 -1.52 -0.14 0.00 0.00 0.00 0.00 44.72 43.07 1y42 s GLY 269 CO 0.01 -1.53 0.44 0.61 0.00 0.00 0.00 173.10 172.63 1y42 n GLY 270 N 0.65 -1.95 0.33 0.20 0.00 -1.26 -1.77 105.19 101.38 1y42 n GLY 270 Ca -0.16 -0.80 0.16 0.00 0.00 0.00 0.00 46.02 45.22 1y42 n GLY 270 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1y42 h SER 271 N -1.86 0.00 -0.68 1.61 4.64 -1.80 -0.37 113.55 115.09 1y42 h SER 271 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1y42 h SER 271 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1y42 h SER 271 CO 0.38 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.44 1y42 n ASP 272 N -4.11 3.65 -1.12 4.97 5.75 -1.26 -4.52 116.55 119.91 1y42 n ASP 272 Ca 0.02 -2.01 0.11 0.00 -0.01 0.00 0.00 54.79 52.90 1y42 n ASP 272 Cb 0.32 -0.46 0.27 0.00 -1.03 0.00 0.00 41.12 40.22 1y42 n ASP 272 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1y42 n GLN 273 N 1.47 2.42 0.08 0.11 1.13 -0.15 -4.59 117.38 117.86 1y42 n GLN 273 Ca 0.23 -2.18 -0.12 0.00 -1.94 0.00 0.00 57.00 52.98 1y42 n GLN 273 Cb 0.58 -1.49 -0.07 0.00 0.11 0.00 0.00 30.24 29.37 1y42 n GLN 273 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 1y42 h TYR 274 N 3.77 -0.20 -0.63 1.08 3.20 -1.79 0.61 116.97 123.00 1y42 h TYR 274 Ca 0.00 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1y42 h TYR 274 Cb 0.85 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 39.14 1y42 h TYR 274 CO 0.35 -0.12 0.32 0.78 -1.64 0.00 0.00 178.16 177.85 1y42 h GLY 275 N -0.18 0.92 1.05 1.82 0.00 -1.97 -0.29 103.07 104.42 1y42 h GLY 275 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1y42 h GLY 275 CO -0.02 0.10 0.41 3.43 0.00 0.00 0.00 176.54 180.46 1y42 h ASN 276 N 0.59 1.11 -0.55 0.19 -0.26 -1.77 -0.97 115.58 113.91 1y42 h ASN 276 Ca 0.29 -0.13 -0.08 0.00 -0.56 0.00 0.00 56.30 55.82 1y42 h ASN 276 Cb 0.24 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.20 1y42 h ASN 276 CO -0.21 0.93 0.02 0.40 -1.06 0.00 0.00 177.43 177.50 1y42 h ILE 277 N 1.21 1.26 -0.27 2.81 2.04 -0.34 0.12 117.51 124.35 1y42 h ILE 277 Ca 0.29 -1.09 0.02 0.00 1.00 0.00 0.00 64.86 65.08 1y42 h ILE 277 Cb 0.11 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1y42 h ILE 277 CO -0.04 0.39 0.12 0.40 0.00 0.00 0.00 178.15 179.03 1y42 h ILE 278 N 0.85 0.98 -0.74 -0.67 1.08 -0.63 -1.19 117.51 117.19 1y42 h ILE 278 Ca 0.16 -0.09 -0.04 0.00 -0.39 0.00 0.00 64.86 64.50 1y42 h ILE 278 Cb 0.51 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 1y42 h ILE 278 CO 0.02 0.05 0.30 0.28 -0.69 0.00 0.00 178.15 178.12 1y42 h SER 279 N 0.27 1.02 -0.90 1.72 0.02 -1.07 -2.75 113.55 111.85 1y42 h SER 279 Ca 0.11 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1y42 h SER 279 Cb 0.04 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.28 1y42 h SER 279 CO -0.08 0.91 0.50 1.23 -1.14 0.00 0.00 176.83 178.24 1y42 h GLY 280 N 1.06 1.34 1.13 -3.77 0.00 -0.53 -1.23 103.07 101.08 1y42 h GLY 280 Ca 0.25 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 1y42 h GLY 280 CO -0.02 0.58 0.31 1.41 0.00 0.00 0.00 176.54 178.82 1y42 h LEU 281 N 1.26 1.02 -0.71 3.11 3.38 -1.02 0.30 115.31 122.66 1y42 h LEU 281 Ca 0.32 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1y42 h LEU 281 Cb 0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1y42 h LEU 281 CO -0.05 0.90 0.34 -0.33 0.09 0.00 0.00 178.44 179.38 1y42 h GLU 282 N 1.08 1.02 -0.07 1.13 5.08 -1.11 -0.73 114.58 120.98 1y42 h GLU 282 Ca 0.25 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1y42 h GLU 282 Cb 0.19 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1y42 h GLU 282 CO -0.02 0.80 0.02 0.28 -1.00 0.00 0.00 179.01 179.09 1y42 h VAL 283 N 0.99 1.17 -0.69 3.13 2.07 -0.77 -0.37 116.25 121.78 1y42 h VAL 283 Ca 0.24 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1y42 h VAL 283 Cb 0.12 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1y42 h VAL 283 CO -0.03 0.14 0.32 0.58 0.02 0.00 0.00 177.57 178.60 1y42 h VAL 284 N -0.08 1.23 -0.59 2.57 2.07 -0.81 -1.04 116.25 119.61 1y42 h VAL 284 Ca 0.02 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 1y42 h VAL 284 Cb 0.21 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1y42 h VAL 284 CO -0.00 0.27 0.19 0.50 0.02 0.00 0.00 177.57 178.56 1y42 h LYS 285 N 0.96 0.91 -0.17 1.57 1.63 -1.03 -1.17 116.57 119.28 1y42 h LYS 285 Ca 0.23 -0.19 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1y42 h LYS 285 Cb 0.14 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1y42 h LYS 285 CO -0.03 0.81 0.10 0.00 -3.45 0.00 0.00 179.45 176.88 1y42 h ALA 286 N 1.06 0.21 -0.72 5.00 0.00 -0.67 -1.17 119.26 122.97 1y42 h ALA 286 Ca 0.19 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1y42 h ALA 286 Cb 0.27 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1y42 h ALA 286 CO -0.01 -0.27 0.31 0.00 0.00 0.00 0.00 179.25 179.28 1y42 h ALA 287 N 1.02 0.94 -0.15 0.00 0.00 -1.08 -0.10 119.26 119.89 1y42 h ALA 287 Ca 0.06 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1y42 h ALA 287 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1y42 h ALA 287 CO -0.01 0.54 -0.60 0.00 0.00 0.00 0.00 179.25 179.18 1y42 h ARG 288 N 1.03 0.51 0.00 0.00 3.08 -1.02 -2.95 114.38 115.03 1y42 h ARG 288 Ca 0.24 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 1y42 h ARG 288 Cb 0.18 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1y42 h ARG 288 CO -0.02 0.96 -0.44 0.93 -1.07 0.00 0.00 179.97 180.32 1y42 h GLU 289 N 0.38 0.00 -0.01 0.04 4.39 -0.91 -3.28 114.58 115.18 1y42 h GLU 289 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1y42 h GLU 289 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1y42 h GLU 289 CO 0.11 0.44 -0.15 -1.13 -1.16 0.00 0.00 179.01 177.12 1y42 n SER 290 N -3.42 1.47 -4.52 1.42 3.41 -0.08 -4.92 113.62 106.98 1y42 n SER 290 Ca 0.00 -1.29 -0.52 0.00 -0.26 0.00 0.00 58.87 56.80 1y42 n SER 290 Cb 0.60 0.10 -0.07 0.00 -0.26 0.00 0.00 64.21 64.57 1y42 n SER 290 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1y42 n GLU 291 N -0.09 1.17 -0.04 4.33 4.07 -1.13 -4.87 120.64 124.08 1y42 n GLU 291 Ca 0.15 0.36 -0.17 0.00 -0.06 0.00 0.00 57.16 57.45 1y42 n GLU 291 Cb 0.38 -2.35 -0.06 0.00 -0.06 0.00 0.00 31.44 29.34 1y42 n GLU 291 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1y42 h PRO 292 N 10.69 0.81 -6.35 5.31 0.13 -1.93 -3.45 132.00 137.21 1y42 h PRO 292 Ca -0.33 -0.62 -0.54 0.00 -0.87 0.00 0.00 66.00 63.65 1y42 h PRO 292 Cb 1.32 0.11 0.01 0.00 0.13 0.00 0.00 31.00 32.58 1y42 h PRO 292 CO 1.00 1.23 1.16 0.34 -0.23 0.00 0.00 178.00 181.51 1y42 s ASP 293 N -7.04 6.52 0.31 1.44 3.68 -1.26 -4.91 116.67 115.41 1y42 s ASP 293 Ca -0.11 2.54 0.02 0.00 2.13 0.00 0.00 52.55 57.13 1y42 s ASP 293 Cb 0.09 -2.54 0.57 0.00 -1.45 0.00 0.00 42.92 39.59 1y42 s ASP 293 CO 0.90 -1.00 1.92 1.55 0.13 0.00 0.00 175.17 178.66 1y42 h PRO 294 N 9.95 0.95 -0.48 4.34 0.13 -2.00 -2.07 132.00 142.82 1y42 h PRO 294 Ca -0.46 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 64.49 1y42 h PRO 294 Cb 1.22 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 1y42 h PRO 294 CO 0.94 0.63 -0.18 1.96 -0.23 0.00 0.00 178.00 181.12 1y42 h GLN 295 N 0.98 0.95 -0.24 0.86 7.50 -1.99 -3.06 115.11 120.11 1y42 h GLN 295 Ca 0.38 -0.38 -0.12 0.00 0.50 0.00 0.00 58.65 59.03 1y42 h GLN 295 Cb 0.22 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.70 1y42 h GLN 295 CO -0.14 1.04 -0.34 0.93 -1.50 0.00 0.00 178.83 178.82 1y42 h GLU 296 N 0.83 0.53 -0.33 1.46 4.39 -1.92 -3.14 114.58 116.39 1y42 h GLU 296 Ca 0.12 -0.24 0.05 0.00 0.34 0.00 0.00 59.36 59.63 1y42 h GLU 296 Cb 0.74 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 1y42 h GLU 296 CO 0.06 0.80 0.23 0.00 -1.16 0.00 0.00 179.01 178.94 1y42 h ARG 297 N 0.45 0.22 -0.97 2.33 3.08 -1.27 0.20 114.38 118.42 1y42 h ARG 297 Ca 0.05 -0.01 0.17 0.00 0.07 0.00 0.00 59.98 60.26 1y42 h ARG 297 Cb 0.81 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.73 1y42 h ARG 297 CO 0.07 0.14 0.61 0.87 -1.07 0.00 0.00 179.97 180.59 1y42 h LYS 298 N 0.23 0.71 0.04 0.04 1.79 -1.53 -0.90 116.57 116.93 1y42 h LYS 298 Ca 0.15 -0.04 -0.37 0.00 -2.18 0.00 0.00 60.65 58.20 1y42 h LYS 298 Cb 0.29 -0.16 -0.05 0.00 -1.58 0.00 0.00 32.23 30.73 1y42 h LYS 298 CO -0.03 0.47 -2.25 0.66 -1.08 0.00 0.00 179.45 177.22 1y42 n TYR 299 N -4.65 0.48 -0.09 -1.35 0.53 0.21 -4.71 117.16 107.57 1y42 n TYR 299 Ca 0.21 0.12 -0.09 0.00 -1.02 0.00 0.00 57.90 57.12 1y42 n TYR 299 Cb 0.54 -1.07 -0.16 0.00 -1.03 0.00 0.00 39.34 37.62 1y42 n TYR 299 CO 0.00 0.00 0.00 1.33 -1.02 0.00 0.00 176.86 177.17 1y42 n VAL 300 N -3.23 1.31 -2.76 -0.72 0.24 0.46 -4.93 118.33 108.71 1y42 n VAL 300 Ca -0.37 -0.84 -0.41 0.00 -2.04 0.00 0.00 64.34 60.68 1y42 n VAL 300 Cb 1.04 -0.43 -0.04 0.00 -1.47 0.00 0.00 33.84 32.94 1y42 n VAL 300 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1y42 s THR 301 N -2.55 4.81 0.44 3.34 2.01 -0.35 -4.76 115.64 118.58 1y42 s THR 301 Ca -0.10 1.98 -0.25 0.00 0.31 0.00 0.00 61.69 63.63 1y42 s THR 301 Cb 0.06 -4.28 -0.08 0.00 0.01 0.00 0.00 72.50 68.21 1y42 s THR 301 CO 0.83 0.21 1.35 -2.84 -0.69 0.00 0.00 174.62 173.48 1y42 s PRO 302 N 0.74 3.77 -0.08 4.92 0.02 -1.26 -4.86 135.00 138.25 1y42 s PRO 302 Ca 0.49 2.25 0.08 0.00 0.02 0.00 0.00 61.00 63.84 1y42 s PRO 302 Cb -0.21 -2.65 -0.11 0.00 0.02 0.00 0.00 34.50 31.55 1y42 s PRO 302 CO 0.27 -0.69 0.04 1.63 -0.33 0.00 0.00 177.00 177.92 1y42 n LYS 303 N -0.14 2.41 -4.31 5.54 5.02 -1.26 -5.08 118.16 120.34 1y42 n LYS 303 Ca 0.05 -0.01 -0.16 0.00 -2.02 0.00 0.00 58.31 56.17 1y42 n LYS 303 Cb 0.43 -1.23 -0.10 0.00 -0.02 0.00 0.00 35.03 34.11 1y42 n LYS 303 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1y42 s THR 304 N -2.24 0.70 0.22 -0.18 -1.32 -1.26 -5.05 115.64 106.51 1y42 s THR 304 Ca -0.04 -2.00 -0.06 0.00 -1.21 0.00 0.00 61.69 58.38 1y42 s THR 304 Cb 0.03 -2.51 0.11 0.00 -1.51 0.00 0.00 72.50 68.62 1y42 s THR 304 CO 0.37 -0.14 1.73 0.00 -2.21 0.00 0.00 174.62 174.37 1y42 h ALA 305 N 2.44 1.01 0.00 11.08 0.00 -2.01 -2.61 119.26 129.16 1y42 h ALA 305 Ca -0.38 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1y42 h ALA 305 Cb 1.23 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1y42 h ALA 305 CO 0.62 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.78 1y42 n LEU 306 N -4.22 0.00 0.16 0.00 4.77 -1.26 -2.42 117.00 114.03 1y42 n LEU 306 Ca 0.04 0.19 0.13 0.00 -0.03 0.00 0.00 56.01 56.34 1y42 n LEU 306 Cb 0.28 -0.19 0.49 0.00 -2.33 0.00 0.00 43.42 41.67 1y42 n LEU 306 CO 0.42 -0.01 0.89 0.44 -1.33 0.00 0.00 177.39 177.80 1y42 h ASP 307 N 0.00 0.00 -4.31 -1.43 3.45 -1.88 -3.46 116.42 108.79 1y42 h ASP 307 Ca 0.00 0.00 -0.51 0.00 0.43 0.00 0.00 57.03 56.95 1y42 h ASP 307 Cb 0.18 0.00 0.12 0.00 -0.56 0.00 0.00 39.33 39.07 1y42 h ASP 307 CO 0.00 0.00 0.33 -1.61 -1.57 0.00 0.00 179.24 176.39 1y42 s GLU 308 N -3.34 2.42 0.39 3.56 0.41 -1.02 -4.91 118.70 116.21 1y42 s GLU 308 Ca 0.05 1.09 -0.09 0.00 -0.41 0.00 0.00 54.97 55.61 1y42 s GLU 308 Cb 0.09 -1.92 -0.06 0.00 -1.78 0.00 0.00 34.13 30.46 1y42 s GLU 308 CO 0.49 -1.50 0.73 0.00 -0.49 0.00 0.00 175.26 174.48 1y42 s VAL 310 N -2.34 0.21 0.27 0.00 -7.23 0.17 -4.91 120.40 106.56 1y42 s VAL 310 Ca 0.49 -1.87 -0.19 0.00 -1.81 0.00 0.00 61.98 58.61 1y42 s VAL 310 Cb -0.10 -1.80 0.01 0.00 0.56 0.00 0.00 36.38 35.05 1y42 s VAL 310 CO 0.32 -0.72 0.65 -0.83 -0.31 0.00 0.00 175.10 174.21 1y42 s GLY 311 N -3.00 0.09 0.10 2.32 0.00 -0.20 -2.21 107.32 104.42 1y42 s GLY 311 Ca 0.16 -0.47 -0.15 0.00 0.00 0.00 0.00 44.72 44.26 1y42 s GLY 311 CO -0.04 -0.25 0.36 -0.11 0.00 0.00 0.00 173.10 173.07 1y42 s PHE 312 N -3.95 -0.15 0.26 1.90 -0.12 -0.88 0.15 117.98 115.20 1y42 s PHE 312 Ca 0.14 -0.14 0.09 0.00 -0.05 0.00 0.00 56.93 56.97 1y42 s PHE 312 Cb -0.04 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 1y42 s PHE 312 CO 0.07 -0.65 0.08 0.95 -0.05 0.00 0.00 175.22 175.63 1y42 s THR 313 N -3.56 3.85 0.29 -4.49 -4.23 -0.09 -1.20 115.64 106.20 1y42 s THR 313 Ca 0.02 -1.70 0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1y42 s THR 313 Cb 0.02 -3.07 -0.03 0.00 1.34 0.00 0.00 72.50 70.75 1y42 s THR 313 CO -0.10 -0.36 0.46 0.68 -0.54 0.00 0.00 174.62 174.75 1y42 s VAL 314 N -2.25 5.18 0.74 2.29 -7.23 -0.73 -0.56 120.40 117.84 1y42 s VAL 314 Ca 0.32 -0.68 -0.14 0.00 -1.81 0.00 0.00 61.98 59.67 1y42 s VAL 314 Cb -0.07 -3.85 0.04 0.00 0.56 0.00 0.00 36.38 33.06 1y42 s VAL 314 CO 0.22 -0.44 1.17 -2.16 -0.31 0.00 0.00 175.10 173.59 1y42 s PRO 315 N -4.10 2.16 -0.23 4.82 0.04 -1.26 -3.46 135.00 132.96 1y42 s PRO 315 Ca 0.37 1.62 -0.26 0.00 0.04 0.00 0.00 61.00 62.78 1y42 s PRO 315 Cb -0.09 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.59 1y42 s PRO 315 CO 0.33 -1.79 0.89 -1.17 0.04 0.00 0.00 177.00 175.29 1y42 s LEU 316 N -5.30 4.09 -0.31 -3.56 2.96 -1.26 -4.57 118.68 110.73 1y42 s LEU 316 Ca 0.71 1.14 -0.10 0.00 -0.22 0.00 0.00 54.13 55.66 1y42 s LEU 316 Cb -0.26 -3.29 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 1y42 s LEU 316 CO 0.46 -0.55 0.17 -0.76 -1.32 0.00 0.00 176.35 174.36 1y42 s LEU 317 N 2.88 4.16 0.21 -0.68 1.02 -1.26 -5.07 118.68 119.95 1y42 s LEU 317 Ca 0.38 -0.41 0.04 0.00 0.02 0.00 0.00 54.13 54.15 1y42 s LEU 317 Cb -0.15 -2.05 -0.05 0.00 0.02 0.00 0.00 46.19 43.96 1y42 s LEU 317 CO 0.07 -0.18 -0.02 0.42 0.02 0.00 0.00 176.35 176.67 1y42 s THR 318 N 1.66 1.03 0.46 5.49 -4.23 -1.26 -1.14 115.64 117.65 1y42 s THR 318 Ca 0.05 -2.04 -0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1y42 s THR 318 Cb -0.17 -2.24 0.09 0.00 1.34 0.00 0.00 72.50 71.53 1y42 s THR 318 CO 0.08 -0.41 0.63 -0.90 -0.54 0.00 0.00 174.62 173.47 1y42 n ASP 319 N -0.36 0.81 0.01 3.99 3.85 -0.77 -4.94 116.55 119.14 1y42 n ASP 319 Ca -0.06 -1.69 0.10 0.00 -0.71 0.00 0.00 54.79 52.43 1y42 n ASP 319 Cb 0.63 -0.41 0.45 0.00 -1.35 0.00 0.00 41.12 40.44 1y42 n ASP 319 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1y42 n SER 320 N -2.96 0.05 -0.51 -1.12 3.41 -1.26 -1.55 113.62 109.68 1y42 n SER 320 Ca 0.10 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.35 1y42 n SER 320 Cb 0.37 -0.52 0.25 0.00 -0.26 0.00 0.00 64.21 64.04 1y42 n SER 320 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1y42 n SER 321 N -1.55 1.80 0.00 4.04 7.64 -1.26 -4.97 113.62 119.31 1y42 n SER 321 Ca 0.05 -1.41 0.00 0.00 1.01 0.00 0.00 58.87 58.52 1y42 n SER 321 Cb 0.25 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1y42 n SER 321 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y42 n GLY 322 N 1.33 0.39 3.76 0.23 0.00 -0.59 -5.05 105.19 105.25 1y42 n GLY 322 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1y42 n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y42 s ALA 323 N -2.11 3.52 0.17 4.61 0.00 -1.26 -4.74 121.76 121.95 1y42 s ALA 323 Ca 0.00 1.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.89 1y42 s ALA 323 Cb 0.00 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 1y42 s ALA 323 CO 0.00 -0.62 1.27 0.15 0.00 0.00 0.00 175.76 176.56 1y42 s LYS 324 N -1.32 4.42 0.14 0.00 -0.14 -1.26 -1.85 119.74 119.73 1y42 s LYS 324 Ca 0.51 1.97 -0.34 0.00 -1.36 0.00 0.00 55.97 56.75 1y42 s LYS 324 Cb -0.39 -3.23 -0.14 0.00 -1.68 0.00 0.00 37.83 32.39 1y42 s LYS 324 CO 0.49 -0.23 1.58 0.34 -0.76 0.00 0.00 175.35 176.77 1y42 n PHE 325 N 2.91 2.22 -0.30 3.18 -0.00 -0.29 -1.80 117.46 123.38 1y42 n PHE 325 Ca 0.07 0.28 0.00 0.00 -0.00 0.00 0.00 57.45 57.80 1y42 n PHE 325 Cb 0.44 -2.53 0.00 0.00 -0.00 0.00 0.00 39.48 37.38 1y42 n PHE 325 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1y42 n GLY 326 N 3.40 0.71 3.32 7.13 0.00 -1.26 -4.46 105.19 114.03 1y42 n GLY 326 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1y42 n GLY 326 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y42 s LYS 327 N -0.70 3.36 -0.37 1.61 -0.14 -0.74 -1.18 119.74 121.57 1y42 s LYS 327 Ca 0.00 -0.66 0.03 0.00 -1.36 0.00 0.00 55.97 53.99 1y42 s LYS 327 Cb 0.00 -2.85 0.11 0.00 -1.68 0.00 0.00 37.83 33.41 1y42 s LYS 327 CO 0.00 -0.06 0.10 0.45 -0.76 0.00 0.00 175.35 175.08 1y42 s SER 328 N 1.07 4.56 0.41 2.83 0.15 -0.61 -4.71 113.70 117.40 1y42 s SER 328 Ca 0.00 -2.26 0.00 0.00 0.70 0.00 0.00 55.95 54.39 1y42 s SER 328 Cb -0.15 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.65 1y42 s SER 328 CO -0.01 -0.35 0.00 0.00 1.20 0.00 0.00 173.24 174.07 1y42 n ALA 329 N 4.10 0.00 -1.42 5.45 0.00 -1.26 -3.77 120.51 123.61 1y42 n ALA 329 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 1y42 n ALA 329 Cb 0.40 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.86 1y42 n ALA 329 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y42 n GLY 330 N 0.00 4.78 3.53 0.00 0.00 -1.26 -4.89 105.19 107.35 1y42 n GLY 330 Ca 0.00 -1.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 1y42 n GLY 330 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1y42 s ASN 331 N -0.33 -0.43 0.71 1.61 2.47 -1.25 -5.16 114.94 112.56 1y42 s ASN 331 Ca 0.52 0.29 -0.11 0.00 0.42 0.00 0.00 52.86 53.98 1y42 s ASN 331 Cb 0.38 0.39 0.01 0.00 -1.45 0.00 0.00 41.25 40.59 1y42 s ASN 331 CO -0.18 -0.53 1.06 0.00 -3.72 0.00 0.00 177.10 173.73 1y42 s ALA 332 N -2.01 2.64 -0.57 1.71 0.00 -1.26 -1.58 121.76 120.69 1y42 s ALA 332 Ca -0.01 0.07 -0.17 0.00 0.00 0.00 0.00 51.96 51.85 1y42 s ALA 332 Cb -0.01 -3.17 0.12 0.00 0.00 0.00 0.00 23.12 20.06 1y42 s ALA 332 CO -0.02 -1.28 0.59 0.42 0.00 0.00 0.00 175.76 175.48 1y42 s ILE 333 N -3.05 5.07 0.46 0.00 1.09 -0.33 -4.85 121.20 119.60 1y42 s ILE 333 Ca 0.58 -1.33 -0.20 0.00 -1.10 0.00 0.00 60.65 58.60 1y42 s ILE 333 Cb -0.14 -4.40 -0.10 0.00 -1.06 0.00 0.00 42.46 36.76 1y42 s ILE 333 CO 0.55 -0.98 0.98 0.26 -0.10 0.00 0.00 174.94 175.66 1y42 s TRP 334 N 1.98 3.23 -0.23 3.97 0.52 -1.26 -1.47 118.94 125.69 1y42 s TRP 334 Ca 0.07 1.58 0.27 0.00 0.02 0.00 0.00 56.10 58.04 1y42 s TRP 334 Cb -0.27 -2.91 0.74 0.00 -1.15 0.00 0.00 33.47 29.88 1y42 s TRP 334 CO 0.04 -0.38 1.76 -0.07 0.02 0.00 0.00 176.95 178.32 1y42 h LEU 335 N 1.62 0.00 -8.98 2.99 3.38 -1.46 -3.41 115.31 109.44 1y42 h LEU 335 Ca -0.49 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.91 1y42 h LEU 335 Cb 1.19 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.88 1y42 h LEU 335 CO 0.60 0.00 0.86 -0.62 0.09 0.00 0.00 178.44 179.38 1y42 s ASP 336 N -6.01 6.91 0.63 -0.43 3.68 -1.26 -4.92 116.67 115.27 1y42 s ASP 336 Ca 0.05 1.17 0.42 0.00 2.13 0.00 0.00 52.55 56.31 1y42 s ASP 336 Cb 0.07 -2.54 2.24 0.00 -1.45 0.00 0.00 42.92 41.23 1y42 s ASP 336 CO 0.62 -0.87 2.28 1.55 0.13 0.00 0.00 175.17 178.88 1y42 h PRO 337 N 8.20 0.00 0.00 4.34 0.13 -1.83 0.61 132.00 143.45 1y42 h PRO 337 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1y42 h PRO 337 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1y42 h PRO 337 CO 1.02 0.00 0.00 1.88 -0.23 0.00 0.00 178.00 180.67 1y42 h TYR 338 N 0.00 0.00 0.00 1.56 0.05 -1.96 -3.29 116.97 113.33 1y42 h TYR 338 Ca 0.00 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.47 1y42 h TYR 338 Cb 0.05 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.73 1y42 h TYR 338 CO 0.00 0.00 -2.16 1.04 -1.05 0.00 0.00 178.16 175.99 1y42 n GLN 339 N -2.70 0.50 -3.89 4.88 6.02 -0.24 -4.91 117.38 117.05 1y42 n GLN 339 Ca 0.03 0.12 -0.27 0.00 -0.01 0.00 0.00 57.00 56.88 1y42 n GLN 339 Cb 0.40 -1.39 -0.17 0.00 1.02 0.00 0.00 30.24 30.10 1y42 n GLN 339 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1y42 s THR 340 N -2.40 0.99 0.91 5.09 2.01 0.04 -4.90 115.64 117.38 1y42 s THR 340 Ca -0.27 -0.39 -0.10 0.00 0.31 0.00 0.00 61.69 61.24 1y42 s THR 340 Cb 0.07 -1.09 0.14 0.00 0.01 0.00 0.00 72.50 71.64 1y42 s THR 340 CO 0.46 0.26 1.15 -0.94 -0.69 0.00 0.00 174.62 174.86 1y42 s SER 341 N 1.71 2.93 0.24 3.53 1.04 -1.24 -3.81 113.70 118.10 1y42 s SER 341 Ca 0.03 2.19 -0.06 0.00 0.48 0.00 0.00 55.95 58.60 1y42 s SER 341 Cb -0.14 -2.57 0.23 0.00 0.10 0.00 0.00 66.02 63.65 1y42 s SER 341 CO -0.08 -3.10 1.84 0.58 0.98 0.00 0.00 173.24 173.46 1y42 h VAL 342 N -1.85 1.25 -0.72 5.02 2.07 -1.94 -0.67 116.25 119.41 1y42 h VAL 342 Ca -0.43 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 66.43 1y42 h VAL 342 Cb 1.27 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 1y42 h VAL 342 CO 0.42 0.30 0.43 0.15 0.02 0.00 0.00 177.57 178.89 1y42 h PHE 343 N 1.18 0.80 0.00 1.57 3.57 -1.94 0.14 116.94 122.26 1y42 h PHE 343 Ca 0.29 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.63 1y42 h PHE 343 Cb 0.11 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1y42 h PHE 343 CO 0.01 0.42 -0.84 -0.44 -2.23 0.00 0.00 178.31 175.24 1y42 h ASP 344 N 0.82 0.08 -0.09 0.41 3.32 -1.73 -0.28 116.42 118.94 1y42 h ASP 344 Ca 0.30 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1y42 h ASP 344 Cb 0.11 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1y42 h ASP 344 CO -0.15 0.88 0.00 0.15 -1.72 0.00 0.00 179.24 178.40 1y42 h PHE 345 N 0.03 0.17 -0.73 4.55 3.57 -0.46 -1.53 116.94 122.53 1y42 h PHE 345 Ca -0.02 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.50 1y42 h PHE 345 Cb 1.47 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 40.11 1y42 h PHE 345 CO 0.01 0.41 0.44 -0.92 -2.23 0.00 0.00 178.31 176.02 1y42 h TYR 346 N -0.12 0.81 -0.56 0.41 3.20 -0.72 -2.79 116.97 117.20 1y42 h TYR 346 Ca 0.03 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.95 1y42 h TYR 346 Cb 0.34 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 1y42 h TYR 346 CO 0.03 0.41 0.32 0.78 -1.64 0.00 0.00 178.16 178.07 1y42 h GLY 347 N 0.81 0.79 -0.03 1.82 0.00 -0.69 0.76 103.07 106.54 1y42 h GLY 347 Ca 0.32 -0.24 0.08 0.00 0.00 0.00 0.00 47.33 47.50 1y42 h GLY 347 CO -0.16 0.18 -0.22 -1.82 0.00 0.00 0.00 176.54 174.52 1y42 h TYR 348 N 0.63 -0.58 -0.39 5.60 5.03 -1.02 -1.88 116.97 124.36 1y42 h TYR 348 Ca 0.23 0.05 -0.12 0.00 2.58 0.00 0.00 58.73 61.47 1y42 h TYR 348 Cb 0.07 0.31 -0.01 0.00 1.55 0.00 0.00 36.73 38.65 1y42 h TYR 348 CO -0.07 -0.30 -0.25 0.74 -1.32 0.00 0.00 178.16 176.95 1y42 h PHE 349 N -0.15 0.92 0.00 -3.82 -1.00 -1.24 -3.09 116.94 108.56 1y42 h PHE 349 Ca 0.19 -0.22 -0.04 0.00 2.81 0.00 0.00 57.97 60.71 1y42 h PHE 349 Cb 0.45 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 1y42 h PHE 349 CO -0.46 0.97 -0.19 -0.24 -1.61 0.00 0.00 178.31 176.79 1y42 h VAL 350 N 0.69 0.73 -0.00 -0.55 3.04 -0.55 -2.11 116.25 117.50 1y42 h VAL 350 Ca 0.09 -0.77 0.00 0.00 -1.01 0.00 0.00 66.70 65.01 1y42 h VAL 350 Cb 0.78 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 1y42 h VAL 350 CO 0.06 0.18 -0.00 0.54 -1.01 0.00 0.00 177.57 177.35 1y42 n ARG 351 N -3.73 0.95 -1.52 4.17 1.74 -0.74 -4.74 116.66 112.80 1y42 n ARG 351 Ca -0.02 -0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.73 1y42 n ARG 351 Cb 0.30 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.32 1y42 n ARG 351 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1y42 s ARG 352 N -2.05 2.33 0.46 5.56 1.81 -0.79 -4.96 118.95 121.31 1y42 s ARG 352 Ca 0.46 1.61 -0.20 0.00 -1.72 0.00 0.00 55.73 55.89 1y42 s ARG 352 Cb 0.22 -1.87 -0.10 0.00 -0.45 0.00 0.00 34.95 32.75 1y42 s ARG 352 CO 0.38 -1.66 0.98 -1.54 -0.68 0.00 0.00 175.30 172.78 1y42 s SER 353 N -2.27 6.74 0.41 0.23 1.04 -1.26 -4.89 113.70 113.71 1y42 s SER 353 Ca 0.71 1.72 0.11 0.00 0.48 0.00 0.00 55.95 58.97 1y42 s SER 353 Cb -0.26 -2.54 0.93 0.00 0.10 0.00 0.00 66.02 64.26 1y42 s SER 353 CO 0.44 -0.50 1.99 0.44 0.98 0.00 0.00 173.24 176.60 1y42 h ASP 354 N 1.65 0.46 0.17 7.02 3.32 -1.99 -0.69 116.42 126.36 1y42 h ASP 354 Ca -0.49 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.51 1y42 h ASP 354 Cb 1.19 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1y42 h ASP 354 CO 0.61 0.29 -0.22 -0.61 -1.72 0.00 0.00 179.24 177.58 1y42 h GLN 355 N 0.52 0.10 0.00 3.56 5.75 -2.03 -3.28 115.11 119.73 1y42 h GLN 355 Ca 0.26 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.74 1y42 h GLN 355 Cb 0.36 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.90 1y42 h GLN 355 CO -0.08 0.32 -0.79 -0.85 -2.65 0.00 0.00 178.83 174.79 1y42 n GLU 356 N -4.23 2.32 -0.23 1.69 0.28 -0.90 -4.77 120.64 114.80 1y42 n GLU 356 Ca -0.02 -0.02 -0.05 0.00 -0.16 0.00 0.00 57.16 56.92 1y42 n GLU 356 Cb 0.31 -1.15 0.12 0.00 1.43 0.00 0.00 31.44 32.15 1y42 n GLU 356 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 177.13 176.73 1y42 h VAL 357 N 0.00 1.25 -0.66 3.84 3.04 -1.20 -1.58 116.25 120.93 1y42 h VAL 357 Ca 0.00 -0.82 -0.04 0.00 -1.01 0.00 0.00 66.70 64.83 1y42 h VAL 357 Cb 0.36 0.45 -0.03 0.00 -2.01 0.00 0.00 31.29 30.06 1y42 h VAL 357 CO 0.00 0.33 0.26 -0.08 -1.01 0.00 0.00 177.57 177.06 1y42 h GLU 358 N 1.03 1.00 -0.74 4.17 4.81 -1.86 0.12 114.58 123.10 1y42 h GLU 358 Ca 0.23 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1y42 h GLU 358 Cb 0.25 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1y42 h GLU 358 CO -0.01 0.84 0.38 -0.91 -0.73 0.00 0.00 179.01 178.57 1y42 h ASN 359 N 0.94 0.95 0.38 1.04 2.35 -1.78 -2.04 115.58 117.41 1y42 h ASN 359 Ca 0.22 -0.12 -0.16 0.00 -0.55 0.00 0.00 56.30 55.69 1y42 h ASN 359 Cb 0.22 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1y42 h ASN 359 CO -0.02 0.80 -0.68 -0.07 -1.65 0.00 0.00 177.43 175.81 1y42 h LEU 360 N 1.03 0.31 -0.73 1.61 3.38 -0.85 -1.76 115.31 118.31 1y42 h LEU 360 Ca 0.26 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1y42 h LEU 360 Cb 0.08 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1y42 h LEU 360 CO -0.04 0.90 0.47 -0.07 0.09 0.00 0.00 178.44 179.79 1y42 h LEU 361 N 0.19 0.78 -0.28 1.67 3.38 -0.49 -0.74 115.31 119.82 1y42 h LEU 361 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1y42 h LEU 361 Cb 1.22 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1y42 h LEU 361 CO 0.11 0.54 0.18 0.11 0.09 0.00 0.00 178.44 179.47 1y42 h LYS 362 N 0.92 0.37 -0.22 1.13 1.57 -1.16 -2.94 116.57 116.25 1y42 h LYS 362 Ca 0.29 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.85 1y42 h LYS 362 Cb -0.02 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1y42 h LYS 362 CO -0.10 0.27 -0.60 -0.07 -0.57 0.00 0.00 179.45 178.38 1y42 h LEU 363 N 0.37 0.91 -2.91 2.94 3.38 -1.14 -3.38 115.31 115.47 1y42 h LEU 363 Ca 0.10 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1y42 h LEU 363 Cb -0.02 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1y42 h LEU 363 CO -0.02 1.32 0.00 0.49 0.09 0.00 0.00 178.44 180.32 1y42 n PHE 364 N -4.04 0.45 -4.24 1.13 3.01 -0.30 -4.86 117.46 108.61 1y42 n PHE 364 Ca -0.06 -0.52 -0.13 0.00 1.01 0.00 0.00 57.45 57.75 1y42 n PHE 364 Cb 0.66 -0.04 -0.10 0.00 -0.01 0.00 0.00 39.48 39.98 1y42 n PHE 364 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1y42 s THR 365 N -1.08 0.66 -0.63 4.37 -4.23 -1.11 -4.57 115.64 109.06 1y42 s THR 365 Ca 0.22 -1.98 0.16 0.00 -1.18 0.00 0.00 61.69 58.91 1y42 s THR 365 Cb 0.12 -2.10 0.76 0.00 1.34 0.00 0.00 72.50 72.62 1y42 s THR 365 CO 0.14 -0.49 1.68 0.49 -0.54 0.00 0.00 174.62 175.91 1y42 n PHE 366 N -0.23 1.77 -1.82 3.99 3.72 -1.26 -4.85 117.46 118.77 1y42 n PHE 366 Ca -0.07 -0.69 -0.42 0.00 -0.05 0.00 0.00 57.45 56.23 1y42 n PHE 366 Cb 0.63 -0.39 -0.03 0.00 -0.94 0.00 0.00 39.48 38.75 1y42 n PHE 366 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 1y42 s MET 367 N -2.37 4.17 0.65 -1.08 -1.94 -1.26 -4.98 119.30 112.49 1y42 s MET 367 Ca 0.53 2.48 -0.17 0.00 -1.71 0.00 0.00 55.69 56.81 1y42 s MET 367 Cb 0.38 -3.40 -0.04 0.00 2.01 0.00 0.00 34.83 33.78 1y42 s MET 367 CO 0.19 -0.74 0.78 -2.30 -0.01 0.00 0.00 175.02 172.94 1y42 n PRO 368 N 4.96 0.59 -0.30 2.03 -0.02 -1.26 -4.77 135.00 136.23 1y42 n PRO 368 Ca 0.16 0.24 0.04 0.00 -2.02 0.00 0.00 63.50 61.92 1y42 n PRO 368 Cb 0.38 -2.01 0.25 0.00 -0.02 0.00 0.00 33.50 32.10 1y42 n PRO 368 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1y42 h ILE 369 N 0.06 1.06 -0.97 4.25 1.08 -1.99 -0.93 117.51 120.08 1y42 h ILE 369 Ca -0.47 -0.35 0.05 0.00 -0.39 0.00 0.00 64.86 63.70 1y42 h ILE 369 Cb 1.36 -0.04 -0.06 0.00 -3.07 0.00 0.00 36.82 35.02 1y42 h ILE 369 CO 0.47 0.18 0.63 0.77 -0.69 0.00 0.00 178.15 179.52 1y42 h SER 370 N 1.01 1.02 -0.18 1.72 4.64 -1.99 0.31 113.55 120.08 1y42 h SER 370 Ca 0.39 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.67 1y42 h SER 370 Cb 0.21 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1y42 h SER 370 CO -0.14 0.68 -0.02 -0.08 -0.87 0.00 0.00 176.83 176.40 1y42 h GLU 371 N 1.18 0.34 -0.72 4.77 4.81 -1.53 -2.10 114.58 121.32 1y42 h GLU 371 Ca 0.40 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 1y42 h GLU 371 Cb 0.08 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 1y42 h GLU 371 CO -0.14 0.57 0.47 0.82 -0.73 0.00 0.00 179.01 180.00 1y42 h ILE 372 N 0.07 1.14 -0.94 2.32 2.04 -1.08 -0.52 117.51 120.54 1y42 h ILE 372 Ca 0.05 -0.32 0.04 0.00 1.00 0.00 0.00 64.86 65.63 1y42 h ILE 372 Cb 0.43 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 1y42 h ILE 372 CO 0.01 0.17 0.61 0.74 0.00 0.00 0.00 178.15 179.68 1y42 h THR 373 N 0.93 1.15 -0.33 -0.27 2.02 -0.76 -0.23 112.91 115.41 1y42 h THR 373 Ca 0.28 -0.40 -0.11 0.00 0.77 0.00 0.00 66.41 66.94 1y42 h THR 373 Cb -0.04 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.23 1y42 h THR 373 CO -0.08 0.21 -0.24 0.50 0.37 0.00 0.00 175.52 176.28 1y42 h LYS 374 N 1.17 0.75 -0.41 6.66 1.63 -0.75 -0.59 116.57 125.03 1y42 h LYS 374 Ca 0.38 -0.36 0.08 0.00 -0.85 0.00 0.00 60.65 59.90 1y42 h LYS 374 Cb 0.03 -0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.58 1y42 h LYS 374 CO -0.13 0.98 -0.04 1.15 -3.45 0.00 0.00 179.45 177.96 1y42 h THR 375 N 0.52 0.65 -0.28 1.00 2.02 -0.83 -0.61 112.91 115.38 1y42 h THR 375 Ca 0.07 -0.02 -0.10 0.00 0.77 0.00 0.00 66.41 67.13 1y42 h THR 375 Cb 0.79 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1y42 h THR 375 CO 0.06 0.01 -0.23 0.24 0.37 0.00 0.00 175.52 175.98 1y42 h MET 376 N 0.06 0.53 -0.69 6.66 2.86 -0.78 0.21 114.93 123.78 1y42 h MET 376 Ca 0.20 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1y42 h MET 376 Cb 0.30 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1y42 h MET 376 CO -0.37 0.72 0.41 1.49 1.06 0.00 0.00 176.91 180.22 1y42 h GLU 377 N 0.47 0.95 -0.31 1.72 4.81 -0.66 -0.68 114.58 120.89 1y42 h GLU 377 Ca 0.07 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1y42 h GLU 377 Cb 0.65 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1y42 h GLU 377 CO 0.05 0.68 -0.01 0.93 -0.73 0.00 0.00 179.01 179.93 1y42 h GLU 378 N 0.95 0.55 -0.51 1.92 4.39 -0.53 -3.23 114.58 118.11 1y42 h GLU 378 Ca 0.25 -0.18 0.04 0.00 0.34 0.00 0.00 59.36 59.81 1y42 h GLU 378 Cb -0.01 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 1y42 h GLU 378 CO -0.05 0.69 0.27 1.25 -1.16 0.00 0.00 179.01 180.01 1y42 h HIS 379 N 0.34 0.49 0.00 4.33 2.76 -0.25 -1.99 115.15 120.83 1y42 h HIS 379 Ca 0.09 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1y42 h HIS 379 Cb 0.45 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.26 1y42 h HIS 379 CO 0.04 0.25 0.00 0.44 -1.30 0.00 0.00 177.93 177.35 1y42 n ILE 380 N -4.87 0.86 -0.27 6.26 -5.35 -0.29 -2.20 119.36 113.50 1y42 n ILE 380 Ca 0.04 0.22 0.08 0.00 -0.27 0.00 0.00 62.75 62.82 1y42 n ILE 380 Cb 0.13 -1.10 0.32 0.00 -1.74 0.00 0.00 39.64 37.24 1y42 n ILE 380 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1y42 h LYS 381 N 0.00 0.81 -0.87 6.28 1.57 -1.42 -3.39 116.57 119.56 1y42 h LYS 381 Ca 0.00 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1y42 h LYS 381 Cb 0.35 -0.18 -0.18 0.00 0.08 0.00 0.00 32.23 32.29 1y42 h LYS 381 CO 0.00 0.54 -0.40 0.34 -0.57 0.00 0.00 179.45 179.35 1y42 s ASP 382 N -5.91 -1.31 0.45 0.86 3.68 -0.95 -5.04 116.67 108.45 1y42 s ASP 382 Ca -0.11 -0.92 0.20 0.00 2.13 0.00 0.00 52.55 53.86 1y42 s ASP 382 Cb 0.21 1.69 1.17 0.00 -1.45 0.00 0.00 42.92 44.55 1y42 s ASP 382 CO 0.79 -0.12 1.88 -0.65 0.13 0.00 0.00 175.17 177.20 1y42 h PRO 383 N 6.19 0.30 -0.18 4.34 0.11 -1.64 -1.67 132.00 139.43 1y42 h PRO 383 Ca 0.04 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.19 1y42 h PRO 383 Cb 1.17 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1y42 h PRO 383 CO 0.05 0.20 0.31 0.66 -0.21 0.00 0.00 178.00 179.01 1y42 h SER 384 N 0.30 0.00 1.08 -2.05 4.64 -1.96 0.17 113.55 115.73 1y42 h SER 384 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1y42 h SER 384 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1y42 h SER 384 CO -0.13 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.12 1y42 n LYS 385 N -3.42 0.19 -3.32 4.77 4.76 -0.63 -4.92 118.16 115.59 1y42 n LYS 385 Ca 0.02 0.27 -0.24 0.00 -2.87 0.00 0.00 58.31 55.49 1y42 n LYS 385 Cb 0.42 -1.77 0.04 0.00 -1.84 0.00 0.00 35.03 31.89 1y42 n LYS 385 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1y42 n ARG 386 N -2.10 -5.60 -0.09 1.97 1.74 0.61 -4.89 116.66 108.30 1y42 n ARG 386 Ca 0.04 0.80 -0.06 0.00 -0.77 0.00 0.00 57.85 57.86 1y42 n ARG 386 Cb 0.33 -5.70 0.00 0.00 -1.02 0.00 0.00 32.46 26.07 1y42 n ARG 386 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1y42 h VAL 387 N -1.77 0.72 -0.42 1.55 2.07 -1.86 0.13 116.25 116.67 1y42 h VAL 387 Ca -0.54 -0.02 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 1y42 h VAL 387 Cb 1.36 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1y42 h VAL 387 CO 0.58 0.01 -0.12 0.00 0.02 0.00 0.00 177.57 178.05 1y42 h ALA 388 N 1.30 0.58 -0.44 1.67 0.00 -1.90 -1.21 119.26 119.26 1y42 h ALA 388 Ca 0.16 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 1y42 h ALA 388 Cb 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1y42 h ALA 388 CO -0.30 0.47 -0.25 1.96 0.00 0.00 0.00 179.25 181.14 1y42 h GLN 389 N 0.64 0.91 -0.49 0.00 7.50 -1.79 0.59 115.11 122.47 1y42 h GLN 389 Ca 0.10 -0.40 -0.06 0.00 0.50 0.00 0.00 58.65 58.80 1y42 h GLN 389 Cb 0.66 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.14 1y42 h GLN 389 CO 0.05 1.05 0.06 0.45 -1.50 0.00 0.00 178.83 178.94 1y42 h HIS 390 N 0.78 0.81 -0.00 2.96 3.86 -0.60 -0.15 115.15 122.81 1y42 h HIS 390 Ca 0.10 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1y42 h HIS 390 Cb 0.81 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 29.05 1y42 h HIS 390 CO 0.05 0.72 0.00 1.15 0.86 0.00 0.00 177.93 180.71 1y42 h THR 391 N 0.74 1.14 -0.15 2.45 2.02 -0.79 0.88 112.91 119.20 1y42 h THR 391 Ca 0.15 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 66.96 1y42 h THR 391 Cb 0.36 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 1y42 h THR 391 CO 0.01 0.11 -0.08 0.25 0.37 0.00 0.00 175.52 176.17 1y42 h LEU 392 N -0.18 -0.27 -0.39 2.58 5.85 -0.65 -0.24 115.31 122.02 1y42 h LEU 392 Ca 0.00 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1y42 h LEU 392 Cb 0.18 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 1y42 h LEU 392 CO -0.00 -0.11 0.04 0.00 -0.34 0.00 0.00 178.44 178.03 1y42 h ALA 393 N 1.05 0.39 -0.30 1.25 0.00 -0.96 -0.50 119.26 120.19 1y42 h ALA 393 Ca 0.09 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1y42 h ALA 393 Cb 0.20 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1y42 h ALA 393 CO -0.20 -0.36 0.15 -0.09 0.00 0.00 0.00 179.25 178.75 1y42 h ARG 394 N 0.15 0.30 -0.46 0.00 2.43 -0.47 -0.68 114.38 115.66 1y42 h ARG 394 Ca 0.19 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.25 1y42 h ARG 394 Cb 0.25 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1y42 h ARG 394 CO -0.28 0.20 -0.08 0.93 -1.51 0.00 0.00 179.97 179.23 1y42 h GLU 395 N 0.31 0.87 -0.06 0.20 4.39 -0.80 -0.64 114.58 118.85 1y42 h GLU 395 Ca 0.12 -0.32 -0.17 0.00 0.34 0.00 0.00 59.36 59.34 1y42 h GLU 395 Cb 0.04 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1y42 h GLU 395 CO -0.09 0.95 -0.63 0.28 -1.16 0.00 0.00 179.01 178.37 1y42 h VAL 396 N 0.71 1.37 -0.83 3.13 2.07 -0.94 -1.86 116.25 119.89 1y42 h VAL 396 Ca 0.12 -1.97 0.09 0.00 0.82 0.00 0.00 66.70 65.76 1y42 h VAL 396 Cb 0.61 2.32 -0.06 0.00 -1.52 0.00 0.00 31.29 32.65 1y42 h VAL 396 CO 0.04 0.59 0.54 0.58 0.02 0.00 0.00 177.57 179.34 1y42 h VAL 397 N 0.12 0.98 -0.18 2.57 2.07 -1.18 -0.86 116.25 119.77 1y42 h VAL 397 Ca -0.06 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1y42 h VAL 397 Cb 1.29 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1y42 h VAL 397 CO 0.13 0.15 0.04 0.74 0.02 0.00 0.00 177.57 178.64 1y42 h THR 398 N 0.82 1.21 -0.53 2.57 2.02 -0.93 0.34 112.91 118.41 1y42 h THR 398 Ca 0.38 -0.69 0.01 0.00 0.77 0.00 0.00 66.41 66.88 1y42 h THR 398 Cb 0.38 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 1y42 h THR 398 CO -0.15 0.21 0.35 0.25 0.37 0.00 0.00 175.52 176.55 1y42 h LEU 399 N 0.10 0.60 0.15 2.58 5.85 -0.99 -0.94 115.31 122.66 1y42 h LEU 399 Ca 0.06 -0.01 -0.33 0.00 0.84 0.00 0.00 57.88 58.43 1y42 h LEU 399 Cb 0.29 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1y42 h LEU 399 CO 0.00 0.43 -1.70 0.58 -0.34 0.00 0.00 178.44 177.42 1y42 h VAL 400 N 0.71 0.89 0.00 1.05 2.07 -0.95 -3.42 116.25 116.60 1y42 h VAL 400 Ca 0.20 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.29 1y42 h VAL 400 Cb -0.07 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1y42 h VAL 400 CO -0.05 0.81 -0.32 1.41 0.02 0.00 0.00 177.57 179.43 1y42 n HIS 401 N -3.69 0.00 0.00 1.57 8.25 0.11 -4.89 115.22 116.56 1y42 n HIS 401 Ca -0.27 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 1y42 n HIS 401 Cb 1.00 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.11 1y42 n HIS 401 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1y42 n GLY 402 N 1.17 1.18 0.33 -1.41 0.00 -0.36 -4.46 105.19 101.64 1y42 n GLY 402 Ca 0.01 -1.83 -0.02 0.00 0.00 0.00 0.00 46.02 44.18 1y42 n GLY 402 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1y42 h LYS 403 N 0.00 0.96 -0.09 1.61 2.10 -1.85 -1.61 116.57 117.69 1y42 h LYS 403 Ca 0.00 -0.12 -0.01 0.00 -2.00 0.00 0.00 60.65 58.52 1y42 h LYS 403 Cb 0.00 -0.18 -0.00 0.00 -0.90 0.00 0.00 32.23 31.14 1y42 h LYS 403 CO 0.00 0.74 0.02 1.96 -2.00 0.00 0.00 179.45 180.17 1y42 h GLN 404 N 0.96 0.15 -0.83 0.07 4.20 -1.96 -1.06 115.11 116.64 1y42 h GLN 404 Ca 0.24 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.93 1y42 h GLN 404 Cb 0.09 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 1y42 h GLN 404 CO -0.03 0.33 0.55 0.93 -0.67 0.00 0.00 178.83 179.93 1y42 h GLU 405 N -0.05 1.05 -0.46 1.46 4.39 -1.75 -1.98 114.58 117.24 1y42 h GLU 405 Ca 0.03 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1y42 h GLU 405 Cb 0.24 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1y42 h GLU 405 CO 0.00 0.70 0.20 0.00 -1.16 0.00 0.00 179.01 178.75 1y42 h ALA 406 N 1.50 0.60 -0.20 3.43 0.00 -0.96 -1.80 119.26 121.83 1y42 h ALA 406 Ca 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1y42 h ALA 406 Cb -0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1y42 h ALA 406 CO -0.08 0.18 0.09 1.03 0.00 0.00 0.00 179.25 180.48 1y42 h SER 407 N 0.61 0.27 -0.87 0.00 0.87 -0.77 -1.67 113.55 111.98 1y42 h SER 407 Ca 0.16 -0.14 0.04 0.00 -1.23 0.00 0.00 61.79 60.61 1y42 h SER 407 Cb 0.16 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 61.99 1y42 h SER 407 CO -0.02 0.34 0.56 0.00 -0.53 0.00 0.00 176.83 177.18 1y42 h ALA 408 N 0.94 1.15 -0.15 6.23 0.00 -1.33 -1.27 119.26 124.83 1y42 h ALA 408 Ca 0.07 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1y42 h ALA 408 Cb 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1y42 h ALA 408 CO -0.01 0.40 -0.60 0.00 0.00 0.00 0.00 179.25 179.04 1y42 h ALA 409 N 1.36 0.67 -0.38 0.00 0.00 -1.09 -1.41 119.26 118.41 1y42 h ALA 409 Ca 0.35 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1y42 h ALA 409 Cb 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1y42 h ALA 409 CO -0.12 0.70 0.08 1.49 0.00 0.00 0.00 179.25 181.41 1y42 h GLU 410 N 0.39 0.62 -0.47 0.00 4.81 -1.04 0.13 114.58 119.02 1y42 h GLU 410 Ca -0.00 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1y42 h GLU 410 Cb 1.15 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 1y42 h GLU 410 CO 0.11 0.66 0.29 -0.44 -0.73 0.00 0.00 179.01 178.90 1y42 h ASP 411 N 0.47 0.49 -0.74 1.04 3.32 -1.06 -0.73 116.42 119.21 1y42 h ASP 411 Ca 0.12 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.17 1y42 h ASP 411 Cb 0.33 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1y42 h ASP 411 CO 0.00 0.35 0.49 1.56 -1.72 0.00 0.00 179.24 179.92 1y42 h GLN 412 N 0.59 0.98 0.00 3.56 4.20 -1.01 -2.40 115.11 121.04 1y42 h GLN 412 Ca 0.18 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1y42 h GLN 412 Cb -0.03 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.53 1y42 h GLN 412 CO -0.06 0.66 0.00 0.72 -0.67 0.00 0.00 178.83 179.47 1y42 n HIS 413 N -4.56 0.00 -0.27 2.96 8.25 0.01 -2.21 115.22 119.40 1y42 n HIS 413 Ca 0.07 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.64 1y42 n HIS 413 Cb 0.02 -0.38 0.29 0.00 1.12 0.00 0.00 29.99 31.05 1y42 n HIS 413 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1y42 n ARG 414 N -1.38 2.71 -1.41 -0.41 1.74 -0.34 -4.93 116.66 112.66 1y42 n ARG 414 Ca 0.09 -2.55 -0.31 0.00 -0.77 0.00 0.00 57.85 54.30 1y42 n ARG 414 Cb 0.22 -1.53 0.07 0.00 -1.02 0.00 0.00 32.46 30.20 1y42 n ARG 414 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1y42 s MET 415 N -1.05 2.53 0.47 5.56 -1.94 -0.94 -4.95 119.30 118.99 1y42 s MET 415 Ca 0.45 1.11 0.32 0.00 -1.71 0.00 0.00 55.69 55.86 1y42 s MET 415 Cb 0.24 -1.93 1.53 0.00 2.01 0.00 0.00 34.83 36.67 1y42 s MET 415 CO 0.31 -1.42 1.96 0.52 -0.01 0.00 0.00 175.02 176.38 1y42 h MET 416 N -0.89 0.00 -4.31 2.03 0.00 -1.92 -3.39 114.93 106.44 1y42 h MET 416 Ca -0.44 0.00 -0.48 0.00 0.00 0.00 0.00 59.70 58.78 1y42 h MET 416 Cb 1.22 0.00 -0.34 0.00 0.00 0.00 0.00 31.60 32.48 1y42 h MET 416 CO 0.53 0.00 -0.80 -0.47 0.00 0.00 0.00 176.91 176.18 1y42 s TYR 417 N -3.69 1.21 0.00 -0.22 5.04 -1.26 -5.03 117.35 113.40 1y42 s TYR 417 Ca -0.01 -0.45 0.00 0.00 -2.44 0.00 0.00 57.07 54.17 1y42 s TYR 417 Cb 0.10 -0.96 0.00 0.00 0.35 0.00 0.00 41.96 41.45 1y42 s TYR 417 CO 0.40 -0.29 0.63 0.25 -1.34 0.00 0.00 175.55 175.21 1y42 n THR 418 N 4.10 0.36 0.00 4.34 -2.24 -1.26 -4.98 114.28 114.60 1y42 n THR 418 Ca -0.21 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1y42 n THR 418 Cb 0.51 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 1y42 n THR 418 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11