#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wya s MET 50 N 0.00 4.31 0.60 -1.46 1.75 -1.26 -4.96 119.30 118.27 2wya s MET 50 Ca 0.00 2.21 -0.20 0.00 -1.25 0.00 0.00 55.69 56.45 2wya s MET 50 Cb 0.00 -3.15 -0.03 0.00 2.84 0.00 0.00 34.83 34.49 2wya s MET 50 CO 0.00 -0.36 1.34 -1.25 -0.65 0.00 0.00 175.02 174.09 2wya s PRO 51 N -0.20 2.85 0.17 4.11 0.04 -1.26 -4.99 135.00 135.72 2wya s PRO 51 Ca 0.59 2.17 -0.08 0.00 0.04 0.00 0.00 61.00 63.72 2wya s PRO 51 Cb -0.40 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.02 2wya s PRO 51 CO 0.41 -1.40 0.45 0.15 0.04 0.00 0.00 177.00 176.65 2wya s LYS 52 N -3.13 3.72 -1.42 4.56 1.02 -1.26 -4.51 119.74 118.72 2wya s LYS 52 Ca 0.77 0.11 -0.08 0.00 0.02 0.00 0.00 55.97 56.79 2wya s LYS 52 Cb -0.40 -2.80 0.05 0.00 -0.52 0.00 0.00 37.83 34.16 2wya s LYS 52 CO 0.44 0.42 0.93 -0.25 -0.92 0.00 0.00 175.35 175.98 2wya n ASP 53 N 0.15 -3.81 -4.73 2.83 8.00 -1.26 -0.52 116.55 117.21 2wya n ASP 53 Ca -0.02 -0.75 -0.42 0.00 0.71 0.00 0.00 54.79 54.31 2wya n ASP 53 Cb 0.52 -4.17 -0.02 0.00 -0.02 0.00 0.00 41.12 37.43 2wya n ASP 53 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2wya n VAL 54 N -4.59 0.55 -2.85 2.53 0.31 -1.26 -0.97 118.33 112.06 2wya n VAL 54 Ca -0.08 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2wya n VAL 54 Cb 0.58 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 2wya n VAL 54 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wya n GLY 55 N 2.95 -0.56 3.65 2.92 0.00 -0.57 -1.60 105.19 111.98 2wya n GLY 55 Ca 0.12 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 2wya n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wya s ILE 56 N -3.15 4.92 -0.16 -0.61 1.01 -0.35 -1.56 121.20 121.29 2wya s ILE 56 Ca 0.00 1.40 0.13 0.00 0.00 0.00 0.00 60.65 62.18 2wya s ILE 56 Cb 0.00 -4.04 -0.24 0.00 0.01 0.00 0.00 42.46 38.19 2wya s ILE 56 CO 0.00 0.01 0.21 0.18 0.00 0.00 0.00 174.94 175.34 2wya n LEU 57 N 5.59 0.80 -3.70 2.97 4.77 0.28 -3.33 117.00 124.38 2wya n LEU 57 Ca 0.02 0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 55.97 2wya n LEU 57 Cb 0.49 0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.61 2wya n LEU 57 CO 0.46 0.55 0.13 0.00 -1.33 0.00 0.00 177.39 177.20 2wya s ALA 58 N -2.53 -1.04 -0.05 -1.18 0.00 -1.20 -4.68 121.76 111.09 2wya s ALA 58 Ca -0.13 0.59 -0.03 0.00 0.00 0.00 0.00 51.96 52.39 2wya s ALA 58 Cb 0.07 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.26 2wya s ALA 58 CO 0.79 -0.29 0.13 -1.17 0.00 0.00 0.00 175.76 175.23 2wya s LEU 59 N -1.27 1.11 -0.03 0.00 0.20 -1.26 -1.02 118.68 116.41 2wya s LEU 59 Ca -0.13 0.26 0.04 0.00 0.69 0.00 0.00 54.13 54.99 2wya s LEU 59 Cb -0.04 0.37 -0.00 0.00 -0.43 0.00 0.00 46.19 46.09 2wya s LEU 59 CO 0.06 -0.10 -0.13 -0.70 -0.29 0.00 0.00 176.35 175.19 2wya s GLU 60 N 0.65 1.30 0.03 1.98 2.56 0.07 -4.93 118.70 120.36 2wya s GLU 60 Ca -0.05 -0.46 0.09 0.00 0.00 0.00 0.00 54.97 54.55 2wya s GLU 60 Cb -0.07 -1.18 -0.03 0.00 2.00 0.00 0.00 34.13 34.86 2wya s GLU 60 CO -0.03 0.21 -0.26 0.08 -0.56 0.00 0.00 175.26 174.69 2wya s VAL 61 N 0.01 2.12 -0.02 3.70 1.01 -1.26 -1.12 120.40 124.83 2wya s VAL 61 Ca -0.01 -1.34 0.04 0.00 0.00 0.00 0.00 61.98 60.67 2wya s VAL 61 Cb -0.09 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 2wya s VAL 61 CO 0.01 0.40 -0.14 -0.47 0.00 0.00 0.00 175.10 174.90 2wya s TYR 62 N -0.77 1.35 0.03 5.22 5.04 0.24 -5.00 117.35 123.46 2wya s TYR 62 Ca 0.11 -0.32 -0.05 0.00 -2.44 0.00 0.00 57.07 54.37 2wya s TYR 62 Cb -0.10 -0.90 -0.01 0.00 0.35 0.00 0.00 41.96 41.30 2wya s TYR 62 CO 0.01 -0.08 0.09 -0.59 -1.34 0.00 0.00 175.55 173.64 2wya s PHE 63 N -0.10 0.18 0.95 4.97 -0.12 -1.26 -1.03 117.98 121.57 2wya s PHE 63 Ca 0.01 -0.45 -0.12 0.00 -0.05 0.00 0.00 56.93 56.32 2wya s PHE 63 Cb -0.08 -0.13 0.16 0.00 -0.63 0.00 0.00 43.02 42.33 2wya s PHE 63 CO 0.00 -0.33 1.09 -1.25 -0.05 0.00 0.00 175.22 174.68 2wya s PRO 64 N -2.29 0.82 -0.02 1.99 0.04 -1.26 -4.93 135.00 129.35 2wya s PRO 64 Ca -0.08 0.79 0.10 0.00 0.04 0.00 0.00 61.00 61.86 2wya s PRO 64 Cb -0.03 -1.76 0.33 0.00 0.04 0.00 0.00 34.50 33.08 2wya s PRO 64 CO -0.03 -2.54 1.23 0.00 0.04 0.00 0.00 177.00 175.70 2wya n ALA 65 N -4.08 2.58 -2.86 8.56 0.00 -1.26 -4.85 120.51 118.60 2wya n ALA 65 Ca 0.06 -0.68 -0.10 0.00 0.00 0.00 0.00 53.44 52.72 2wya n ALA 65 Cb 0.55 -0.99 -0.09 0.00 0.00 0.00 0.00 19.45 18.92 2wya n ALA 65 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2wya s GLN 66 N -1.59 0.57 0.14 0.00 0.00 -1.26 -1.17 119.66 116.36 2wya s GLN 66 Ca 0.24 -0.63 -0.05 0.00 -0.00 0.00 0.00 55.36 54.92 2wya s GLN 66 Cb 0.14 0.23 -0.02 0.00 0.00 0.00 0.00 33.01 33.36 2wya s GLN 66 CO 0.14 -0.15 0.17 1.52 0.00 0.00 0.00 175.29 176.98 2wya s TYR 67 N -2.23 0.56 -0.09 9.60 -0.85 -0.78 -3.09 117.35 120.47 2wya s TYR 67 Ca -0.08 -0.94 -0.00 0.00 -0.52 0.00 0.00 57.07 55.52 2wya s TYR 67 Cb -0.03 -0.24 -0.03 0.00 0.38 0.00 0.00 41.96 42.04 2wya s TYR 67 CO -0.03 -0.61 -0.06 0.54 -1.52 0.00 0.00 175.55 173.88 2wya s VAL 68 N -3.98 3.80 0.09 -3.49 0.11 -0.16 -0.77 120.40 115.99 2wya s VAL 68 Ca 0.18 -0.43 -0.30 0.00 -2.93 0.00 0.00 61.98 58.50 2wya s VAL 68 Cb 0.05 -2.58 -0.05 0.00 -1.53 0.00 0.00 36.38 32.27 2wya s VAL 68 CO -0.01 0.58 1.00 -1.81 -3.33 0.00 0.00 175.10 171.53 2wya s ASP 69 N -0.54 7.40 0.25 3.54 1.01 -1.26 -1.26 116.67 125.81 2wya s ASP 69 Ca 0.08 1.81 -0.02 0.00 0.71 0.00 0.00 52.55 55.13 2wya s ASP 69 Cb -0.12 -2.58 0.30 0.00 1.01 0.00 0.00 42.92 41.53 2wya s ASP 69 CO 0.02 -0.17 1.73 1.56 0.21 0.00 0.00 175.17 178.52 2wya h GLN 70 N 5.93 0.78 -0.74 8.23 1.08 -1.47 0.23 115.11 129.16 2wya h GLN 70 Ca -0.42 -0.24 -0.02 0.00 -1.45 0.00 0.00 58.65 56.52 2wya h GLN 70 Cb 1.21 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.53 2wya h GLN 70 CO 0.73 0.83 0.39 1.15 -0.95 0.00 0.00 178.83 180.98 2wya h THR 71 N 0.71 1.23 -0.65 -0.54 2.02 -1.89 0.83 112.91 114.62 2wya h THR 71 Ca 0.13 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 2wya h THR 71 Cb 0.53 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 2wya h THR 71 CO 0.03 0.25 0.29 0.44 0.37 0.00 0.00 175.52 176.90 2wya h ASP 72 N 1.02 0.88 -0.47 4.18 3.32 -1.85 -2.74 116.42 120.76 2wya h ASP 72 Ca 0.26 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 2wya h ASP 72 Cb 0.05 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2wya h ASP 72 CO -0.04 0.79 0.10 0.25 -1.72 0.00 0.00 179.24 178.62 2wya h LEU 73 N 0.91 0.77 -0.28 1.55 5.85 -0.37 -0.02 115.31 123.73 2wya h LEU 73 Ca 0.22 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.83 2wya h LEU 73 Cb 0.16 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2wya h LEU 73 CO -0.02 0.78 0.04 -0.33 -0.34 0.00 0.00 178.44 178.56 2wya h GLU 74 N 0.79 0.13 -0.51 1.25 5.08 -0.60 0.26 114.58 120.98 2wya h GLU 74 Ca 0.17 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 2wya h GLU 74 Cb 0.33 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2wya h GLU 74 CO 0.00 0.09 -0.08 0.87 -1.00 0.00 0.00 179.01 178.89 2wya h LYS 75 N 0.14 0.95 -0.72 2.33 1.57 -1.14 -1.14 116.57 118.55 2wya h LYS 75 Ca 0.13 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 2wya h LYS 75 Cb 0.15 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 2wya h LYS 75 CO -0.19 1.01 0.37 -0.92 -0.57 0.00 0.00 179.45 179.15 2wya h TYR 76 N 0.81 1.01 -0.01 -1.35 3.20 -0.78 -2.26 116.97 117.58 2wya h TYR 76 Ca 0.13 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2wya h TYR 76 Cb 0.63 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.59 2wya h TYR 76 CO 0.05 0.73 0.00 0.09 -1.64 0.00 0.00 178.16 177.38 2wya n ASN 77 N -4.46 0.37 -3.78 -2.11 3.02 0.06 -4.92 115.26 103.44 2wya n ASN 77 Ca 0.06 -1.19 -0.27 0.00 -0.03 0.00 0.00 54.58 53.16 2wya n ASN 77 Cb 0.11 -0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.32 2wya n ASN 77 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2wya n ASN 78 N -0.68 -4.53 -4.92 6.41 0.23 -0.62 -5.00 115.26 106.15 2wya n ASN 78 Ca 0.21 -0.72 -0.20 0.00 -0.53 0.00 0.00 54.58 53.35 2wya n ASN 78 Cb 0.16 -4.27 -0.02 0.00 -2.08 0.00 0.00 39.78 33.57 2wya n ASN 78 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 2wya s VAL 79 N -3.36 3.13 0.38 3.53 -7.23 -0.53 -5.04 120.40 111.28 2wya s VAL 79 Ca 0.51 -1.23 -0.28 0.00 -1.81 0.00 0.00 61.98 59.17 2wya s VAL 79 Cb -0.25 -3.10 -0.11 0.00 0.56 0.00 0.00 36.38 33.49 2wya s VAL 79 CO 0.80 -0.06 1.50 -1.61 -0.31 0.00 0.00 175.10 175.41 2wya s GLU 80 N -4.15 4.09 0.21 4.82 8.01 -1.26 -4.63 118.70 125.78 2wya s GLU 80 Ca 0.47 2.60 -0.32 0.00 0.01 0.00 0.00 54.97 57.73 2wya s GLU 80 Cb -0.06 -2.96 -0.14 0.00 -4.31 0.00 0.00 34.13 26.67 2wya s GLU 80 CO 0.29 -0.56 1.49 0.00 0.01 0.00 0.00 175.26 176.49 2wya n ALA 81 N 0.42 1.25 0.00 5.21 0.00 -1.26 -1.97 120.51 124.17 2wya n ALA 81 Ca 0.01 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2wya n ALA 81 Cb 0.39 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.53 2wya n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wya n GLY 82 N 2.71 1.22 0.37 0.00 0.00 -1.26 -4.93 105.19 103.29 2wya n GLY 82 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.21 2wya n GLY 82 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wya h LYS 83 N 3.20 1.06 0.07 1.61 3.64 -1.76 0.29 116.57 124.68 2wya h LYS 83 Ca 0.00 -0.06 -0.33 0.00 -1.27 0.00 0.00 60.65 58.99 2wya h LYS 83 Cb 0.00 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.55 2wya h LYS 83 CO 0.00 0.70 -1.81 0.66 -2.27 0.00 0.00 179.45 176.73 2wya n TYR 84 N -4.56 1.02 0.12 1.91 4.01 -1.26 -2.22 117.16 116.19 2wya n TYR 84 Ca 0.17 0.29 -0.03 0.00 -0.16 0.00 0.00 57.90 58.18 2wya n TYR 84 Cb 0.26 -1.12 0.14 0.00 -0.31 0.00 0.00 39.34 38.31 2wya n TYR 84 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 2wya h THR 85 N -0.36 1.45 0.00 -0.72 1.35 -1.60 -1.13 112.91 111.90 2wya h THR 85 Ca -0.43 -2.18 -0.27 0.00 -0.55 0.00 0.00 66.41 62.99 2wya h THR 85 Cb 1.75 2.17 -0.04 0.00 -1.73 0.00 0.00 68.15 70.30 2wya h THR 85 CO -0.06 0.63 -1.92 0.52 -0.25 0.00 0.00 175.52 174.44 2wya n VAL 86 N -3.79 0.91 -0.04 6.82 0.31 0.84 -3.48 118.33 119.90 2wya n VAL 86 Ca -0.01 -0.27 -0.11 0.00 -0.01 0.00 0.00 64.34 63.94 2wya n VAL 86 Cb 0.64 -1.51 -0.05 0.00 -0.91 0.00 0.00 33.84 32.01 2wya n VAL 86 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2wya h GLY 87 N -0.02 0.26 0.58 2.92 0.00 -0.56 -3.12 103.07 103.13 2wya h GLY 87 Ca -0.40 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 2wya h GLY 87 CO -0.19 0.12 -1.42 1.04 0.00 0.00 0.00 176.54 176.08 2wya n LEU 88 N -4.90 0.50 -0.17 3.11 4.77 -0.94 -4.73 117.00 114.64 2wya n LEU 88 Ca -0.04 0.19 -0.02 0.00 -0.03 0.00 0.00 56.01 56.11 2wya n LEU 88 Cb 0.09 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2wya n LEU 88 CO 0.34 -0.11 -0.02 0.61 -1.33 0.00 0.00 177.39 176.89 2wya n GLY 89 N 1.22 0.41 3.69 -0.72 0.00 -0.59 -1.38 105.19 107.81 2wya n GLY 89 Ca -0.02 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 2wya n GLY 89 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wya s GLN 90 N -3.11 2.94 -0.16 1.61 -1.52 -0.53 -4.45 119.66 114.44 2wya s GLN 90 Ca 0.00 -0.46 -0.08 0.00 -1.95 0.00 0.00 55.36 52.87 2wya s GLN 90 Cb 0.00 -2.76 -0.07 0.00 -0.22 0.00 0.00 33.01 29.96 2wya s GLN 90 CO 0.00 0.68 -0.21 2.41 -0.25 0.00 0.00 175.29 177.92 2wya n THR 91 N 1.92 0.89 -3.94 -0.19 -1.04 0.31 -3.62 114.28 108.61 2wya n THR 91 Ca -0.17 -0.22 -0.10 0.00 -2.04 0.00 0.00 64.05 61.52 2wya n THR 91 Cb 0.53 -1.72 -0.11 0.00 -1.82 0.00 0.00 70.33 67.21 2wya n THR 91 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2wya s ARG 92 N -2.30 0.34 -0.16 -2.82 0.52 -0.48 -1.22 118.95 112.83 2wya s ARG 92 Ca -0.22 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 54.52 2wya s ARG 92 Cb 0.09 0.13 0.02 0.00 0.52 0.00 0.00 34.95 35.70 2wya s ARG 92 CO 0.28 -0.06 -0.18 1.41 0.02 0.00 0.00 175.30 176.76 2wya s MET 93 N -1.29 2.74 0.50 3.54 -2.45 -0.39 -2.36 119.30 119.60 2wya s MET 93 Ca -0.14 -0.74 -0.19 0.00 -1.25 0.00 0.00 55.69 53.38 2wya s MET 93 Cb -0.08 -2.37 -0.08 0.00 1.25 0.00 0.00 34.83 33.55 2wya s MET 93 CO -0.00 -0.18 1.00 0.20 1.05 0.00 0.00 175.02 177.09 2wya s GLY 94 N 1.25 2.28 0.13 2.11 0.00 0.07 -0.99 107.32 112.17 2wya s GLY 94 Ca 0.02 0.39 -0.17 0.00 0.00 0.00 0.00 44.72 44.97 2wya s GLY 94 CO -0.10 0.69 0.42 -0.11 0.00 0.00 0.00 173.10 174.00 2wya s PHE 95 N -2.30 -0.23 -0.00 1.90 -0.12 -1.18 -3.81 117.98 112.24 2wya s PHE 95 Ca 0.63 -0.08 0.08 0.00 -0.05 0.00 0.00 56.93 57.51 2wya s PHE 95 Cb -0.12 0.29 -0.02 0.00 -0.63 0.00 0.00 43.02 42.53 2wya s PHE 95 CO 0.24 -0.72 -0.24 0.00 -0.05 0.00 0.00 175.22 174.45 2wya s SER 97 N -0.83 2.72 0.03 0.00 1.04 -1.26 -4.93 113.70 110.47 2wya s SER 97 Ca 0.11 0.30 0.07 0.00 0.48 0.00 0.00 55.95 56.91 2wya s SER 97 Cb -0.10 -0.36 0.32 0.00 0.10 0.00 0.00 66.02 65.98 2wya s SER 97 CO 0.00 -2.98 1.22 1.33 0.98 0.00 0.00 173.24 173.79 2wya n VAL 98 N -3.94 1.56 0.36 5.02 0.24 -1.26 -2.04 118.33 118.26 2wya n VAL 98 Ca 0.15 0.42 0.13 0.00 -2.04 0.00 0.00 64.34 63.01 2wya n VAL 98 Cb 0.59 -1.33 0.56 0.00 -1.47 0.00 0.00 33.84 32.19 2wya n VAL 98 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 2wya h GLN 99 N 0.00 0.00 -6.47 7.34 4.15 -1.88 -3.43 115.11 114.82 2wya h GLN 99 Ca 0.00 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.75 2wya h GLN 99 Cb 0.10 0.00 -0.28 0.00 0.21 0.00 0.00 27.48 27.50 2wya h GLN 99 CO 0.00 0.00 -0.87 -1.21 -1.93 0.00 0.00 178.83 174.82 2wya s GLU 100 N -3.43 1.85 0.29 1.69 2.02 -0.87 -0.40 118.70 119.85 2wya s GLU 100 Ca 0.03 -0.94 0.07 0.00 0.02 0.00 0.00 54.97 54.14 2wya s GLU 100 Cb 0.09 -1.88 -0.02 0.00 0.10 0.00 0.00 34.13 32.42 2wya s GLU 100 CO 0.42 0.50 0.24 -0.40 0.02 0.00 0.00 175.26 176.04 2wya n ASP 101 N 2.21 -0.56 -0.21 -0.19 5.68 -1.26 -4.80 116.55 117.41 2wya n ASP 101 Ca -0.16 -2.88 0.01 0.00 -0.50 0.00 0.00 54.79 51.26 2wya n ASP 101 Cb 0.52 1.42 0.25 0.00 -1.14 0.00 0.00 41.12 42.17 2wya n ASP 101 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2wya h ILE 102 N 1.91 1.18 -0.24 2.12 6.09 -1.98 -0.72 117.51 125.88 2wya h ILE 102 Ca -0.20 -0.34 -0.01 0.00 -1.37 0.00 0.00 64.86 62.93 2wya h ILE 102 Cb 1.03 0.09 -0.01 0.00 0.47 0.00 0.00 36.82 38.40 2wya h ILE 102 CO 0.30 0.18 0.11 0.78 -3.07 0.00 0.00 178.15 176.45 2wya h ASN 103 N 1.00 0.32 -0.18 2.19 2.35 -1.96 -2.06 115.58 117.23 2wya h ASN 103 Ca 0.28 -0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.77 2wya h ASN 103 Cb -0.10 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 2wya h ASN 103 CO -0.06 0.37 -0.26 0.77 -1.65 0.00 0.00 177.43 176.59 2wya h SER 104 N 0.24 0.67 -0.39 5.81 4.64 -1.73 0.59 113.55 123.38 2wya h SER 104 Ca 0.08 -0.25 0.01 0.00 -0.47 0.00 0.00 61.79 61.16 2wya h SER 104 Cb 0.14 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 2wya h SER 104 CO -0.01 0.91 0.25 -0.07 -0.87 0.00 0.00 176.83 177.03 2wya h LEU 105 N 0.57 0.41 -0.24 5.97 4.07 -1.07 -0.94 115.31 124.09 2wya h LEU 105 Ca 0.08 -0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.86 2wya h LEU 105 Cb 0.74 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.39 2wya h LEU 105 CO 0.06 0.30 -0.53 0.00 -1.08 0.00 0.00 178.44 177.18 2wya h LEU 107 N 0.52 0.69 0.04 0.00 3.38 -0.80 -1.44 115.31 117.70 2wya h LEU 107 Ca 0.00 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2wya h LEU 107 Cb 1.15 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2wya h LEU 107 CO 0.12 0.41 -0.02 0.74 0.09 0.00 0.00 178.44 179.78 2wya h THR 108 N 0.81 1.12 -0.21 0.22 2.02 -0.94 -1.24 112.91 114.70 2wya h THR 108 Ca 0.38 -0.48 -0.14 0.00 0.77 0.00 0.00 66.41 66.94 2wya h THR 108 Cb 0.30 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 2wya h THR 108 CO -0.22 0.12 -0.48 1.62 0.37 0.00 0.00 175.52 176.93 2wya h VAL 109 N -0.26 1.31 -0.15 3.16 3.04 -1.24 -1.59 116.25 120.52 2wya h VAL 109 Ca -0.00 -1.68 -0.04 0.00 -1.01 0.00 0.00 66.70 63.96 2wya h VAL 109 Cb 0.24 1.67 -0.00 0.00 -2.01 0.00 0.00 31.29 31.18 2wya h VAL 109 CO 0.01 0.53 -0.06 0.58 -1.01 0.00 0.00 177.57 177.61 2wya h VAL 110 N 0.43 1.30 -0.28 1.51 2.07 -1.23 -1.94 116.25 118.12 2wya h VAL 110 Ca 0.02 -1.07 -0.11 0.00 0.82 0.00 0.00 66.70 66.37 2wya h VAL 110 Cb 0.99 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2wya h VAL 110 CO 0.09 0.31 -0.28 -0.61 0.02 0.00 0.00 177.57 177.10 2wya h GLN 111 N -0.01 0.57 -0.46 1.57 4.15 -1.18 -1.14 115.11 118.62 2wya h GLN 111 Ca 0.04 -0.24 -0.01 0.00 0.77 0.00 0.00 58.65 59.21 2wya h GLN 111 Cb 0.52 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.16 2wya h GLN 111 CO 0.02 0.80 0.24 -0.09 -1.93 0.00 0.00 178.83 177.86 2wya h ARG 112 N 0.50 0.64 0.01 1.69 2.43 -1.27 -0.44 114.38 117.94 2wya h ARG 112 Ca 0.06 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2wya h ARG 112 Cb 0.74 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2wya h ARG 112 CO 0.06 0.53 -0.05 1.25 -1.51 0.00 0.00 179.97 180.25 2wya h LEU 113 N 0.60 -0.14 -0.88 3.80 5.85 -1.01 -1.47 115.31 122.06 2wya h LEU 113 Ca 0.16 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 2wya h LEU 113 Cb 0.08 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2wya h LEU 113 CO -0.02 -0.08 0.35 0.24 -0.34 0.00 0.00 178.44 178.60 2wya h MET 114 N -0.09 1.17 -0.42 1.25 2.86 -0.96 -2.28 114.93 116.46 2wya h MET 114 Ca 0.02 -0.19 -0.13 0.00 -2.06 0.00 0.00 59.70 57.34 2wya h MET 114 Cb 0.11 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 2wya h MET 114 CO -0.05 0.92 -0.25 0.93 1.06 0.00 0.00 176.91 179.53 2wya h GLU 115 N 1.15 0.90 -0.58 1.72 5.08 -1.00 0.74 114.58 122.60 2wya h GLU 115 Ca 0.27 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 2wya h GLU 115 Cb 0.16 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2wya h GLU 115 CO -0.03 1.07 0.19 -0.09 -1.00 0.00 0.00 179.01 179.15 2wya h ARG 116 N 0.73 0.90 -0.37 2.33 2.43 -0.91 -2.90 114.38 116.59 2wya h ARG 116 Ca 0.09 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2wya h ARG 116 Cb 0.82 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2wya h ARG 116 CO 0.07 0.80 0.00 0.44 -1.51 0.00 0.00 179.97 179.77 2wya n ILE 117 N -4.43 0.47 -3.71 1.20 -5.35 -0.89 -4.96 119.36 101.68 2wya n ILE 117 Ca 0.03 -0.73 -0.22 0.00 -0.27 0.00 0.00 62.75 61.57 2wya n ILE 117 Cb 0.20 1.01 0.03 0.00 -1.74 0.00 0.00 39.64 39.14 2wya n ILE 117 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wya n GLN 118 N 1.48 -4.59 -2.60 6.28 6.02 0.09 -4.90 117.38 119.17 2wya n GLN 118 Ca 0.19 0.60 -0.43 0.00 -0.01 0.00 0.00 57.00 57.36 2wya n GLN 118 Cb 0.61 -5.10 -0.02 0.00 1.02 0.00 0.00 30.24 26.75 2wya n GLN 118 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2wya s LEU 119 N -6.67 4.22 0.36 1.08 2.96 -0.28 -5.00 118.68 115.36 2wya s LEU 119 Ca 0.03 1.59 -0.28 0.00 -0.22 0.00 0.00 54.13 55.24 2wya s LEU 119 Cb -0.01 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 43.03 2wya s LEU 119 CO 0.82 -0.56 1.34 -2.84 -1.32 0.00 0.00 176.35 173.79 2wya s PRO 120 N 2.47 4.20 0.42 0.98 0.02 -1.26 -4.90 135.00 136.92 2wya s PRO 120 Ca 0.50 2.26 0.13 0.00 0.02 0.00 0.00 61.00 63.91 2wya s PRO 120 Cb -0.20 -2.96 0.98 0.00 0.02 0.00 0.00 34.50 32.34 2wya s PRO 120 CO 0.16 -0.34 1.97 -1.49 -0.33 0.00 0.00 177.00 176.97 2wya h TRP 121 N 3.11 0.50 -0.05 6.54 6.55 -1.96 -1.82 115.95 128.82 2wya h TRP 121 Ca -0.49 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.36 2wya h TRP 121 Cb 1.23 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 29.37 2wya h TRP 121 CO 0.55 0.24 0.00 -0.40 -1.05 0.00 0.00 178.44 177.77 2wya n ASP 122 N -4.48 0.46 -0.53 -3.49 5.68 -1.26 -3.71 116.55 109.22 2wya n ASP 122 Ca 0.11 -1.54 0.12 0.00 -0.50 0.00 0.00 54.79 52.98 2wya n ASP 122 Cb 0.37 -0.03 0.20 0.00 -1.14 0.00 0.00 41.12 40.52 2wya n ASP 122 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2wya n SER 123 N -0.46 1.91 -4.42 -1.12 3.41 -0.69 -4.85 113.62 107.39 2wya n SER 123 Ca 0.14 -1.46 -0.36 0.00 -0.26 0.00 0.00 58.87 56.92 2wya n SER 123 Cb 0.13 0.21 -0.13 0.00 -0.26 0.00 0.00 64.21 64.17 2wya n SER 123 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2wya s VAL 124 N -2.30 4.10 -0.49 -3.33 1.01 -1.24 -0.47 120.40 117.67 2wya s VAL 124 Ca 0.25 -0.25 0.14 0.00 0.00 0.00 0.00 61.98 62.13 2wya s VAL 124 Cb 0.19 -2.90 -0.18 0.00 0.00 0.00 0.00 36.38 33.49 2wya s VAL 124 CO 0.46 0.37 0.53 0.61 0.00 0.00 0.00 175.10 177.07 2wya n GLY 125 N 4.81 -0.44 3.08 4.51 0.00 0.17 -4.79 105.19 112.53 2wya n GLY 125 Ca -0.17 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 2wya n GLY 125 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wya s ARG 126 N -2.54 0.24 -0.11 1.61 3.52 -1.18 -1.69 118.95 118.79 2wya s ARG 126 Ca 0.02 0.37 -0.05 0.00 -0.13 0.00 0.00 55.73 55.94 2wya s ARG 126 Cb 0.10 0.05 0.06 0.00 -1.56 0.00 0.00 34.95 33.60 2wya s ARG 126 CO 0.60 -0.07 0.24 -1.17 -0.81 0.00 0.00 175.30 174.09 2wya s LEU 127 N 0.45 -0.07 -0.08 -0.88 2.96 -0.15 -0.08 118.68 120.82 2wya s LEU 127 Ca -0.03 0.53 -0.07 0.00 -0.22 0.00 0.00 54.13 54.34 2wya s LEU 127 Cb -0.04 0.63 0.02 0.00 0.50 0.00 0.00 46.19 47.30 2wya s LEU 127 CO -0.02 -0.22 0.22 -0.70 -1.32 0.00 0.00 176.35 174.31 2wya s GLU 128 N 2.10 0.25 -0.16 1.98 2.12 -1.00 -4.00 118.70 119.99 2wya s GLU 128 Ca -0.01 0.33 -0.04 0.00 0.36 0.00 0.00 54.97 55.61 2wya s GLU 128 Cb -0.12 0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.34 2wya s GLU 128 CO -0.08 -0.05 -0.03 0.08 -0.54 0.00 0.00 175.26 174.64 2wya s VAL 129 N 0.28 3.90 -0.18 3.70 1.01 -0.39 -1.48 120.40 127.25 2wya s VAL 129 Ca -0.01 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 2wya s VAL 129 Cb -0.03 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2wya s VAL 129 CO -0.01 0.48 0.06 -0.83 0.00 0.00 0.00 175.10 174.80 2wya s GLY 130 N 0.48 1.90 0.10 4.51 0.00 0.37 -0.70 107.32 113.98 2wya s GLY 130 Ca -0.03 -0.75 -0.25 0.00 0.00 0.00 0.00 44.72 43.69 2wya s GLY 130 CO 0.03 0.02 0.79 -1.08 0.00 0.00 0.00 173.10 172.86 2wya s THR 131 N 0.30 0.00 -0.05 0.90 -1.32 -1.20 -2.70 115.64 111.57 2wya s THR 131 Ca 0.03 -0.21 0.08 0.00 -1.21 0.00 0.00 61.69 60.38 2wya s THR 131 Cb -0.12 -1.26 0.12 0.00 -1.51 0.00 0.00 72.50 69.72 2wya s THR 131 CO 0.00 0.00 1.00 -1.84 -2.21 0.00 0.00 174.62 171.57 2wya n GLU 132 N -0.35 1.38 -3.36 7.08 0.28 -1.26 -4.45 120.64 119.96 2wya n GLU 132 Ca -0.11 -1.73 -0.45 0.00 -0.16 0.00 0.00 57.16 54.72 2wya n GLU 132 Cb 0.62 -1.05 -0.06 0.00 1.43 0.00 0.00 31.44 32.38 2wya n GLU 132 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2wya s THR 133 N -1.46 5.03 -0.27 3.84 2.01 -1.26 -5.00 115.64 118.53 2wya s THR 133 Ca 0.13 -1.53 -0.08 0.00 0.31 0.00 0.00 61.69 60.52 2wya s THR 133 Cb 0.11 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.38 2wya s THR 133 CO 0.01 -0.84 0.08 -0.63 -0.69 0.00 0.00 174.62 172.56 2wya s ILE 134 N 1.56 4.29 -0.51 1.82 -1.09 -1.26 -4.86 121.20 121.14 2wya s ILE 134 Ca 0.04 -0.30 0.04 0.00 -2.23 0.00 0.00 60.65 58.19 2wya s ILE 134 Cb -0.29 -3.07 0.03 0.00 -1.58 0.00 0.00 42.46 37.55 2wya s ILE 134 CO 0.02 0.25 0.62 2.30 -1.23 0.00 0.00 174.94 176.90 2wya n ILE 135 N 4.92 0.00 -3.70 2.92 -5.35 -1.26 -4.95 119.36 111.95 2wya n ILE 135 Ca -0.16 -0.50 -0.11 0.00 -0.27 0.00 0.00 62.75 61.72 2wya n ILE 135 Cb 0.50 1.08 -0.11 0.00 -1.74 0.00 0.00 39.64 39.38 2wya n ILE 135 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2wya s ASP 136 N -0.38 -0.44 0.14 7.28 -1.08 -1.26 -5.05 116.67 115.87 2wya s ASP 136 Ca 0.05 0.82 0.26 0.00 -0.52 0.00 0.00 52.55 53.16 2wya s ASP 136 Cb 0.03 0.73 0.95 0.00 -1.46 0.00 0.00 42.92 43.18 2wya s ASP 136 CO 0.06 -0.19 1.80 0.29 0.52 0.00 0.00 175.17 177.64 2wya n LYS 137 N 4.34 0.16 0.00 4.34 5.02 -1.26 -4.16 118.16 126.59 2wya n LYS 137 Ca -0.23 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2wya n LYS 137 Cb 0.54 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 2wya n LYS 137 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wya n SER 138 N -1.97 4.06 -4.59 4.39 3.41 -1.26 -5.02 113.62 112.64 2wya n SER 138 Ca 0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.25 2wya n SER 138 Cb 0.36 0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 64.50 2wya n SER 138 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2wya s LYS 139 N -1.89 3.84 0.44 4.33 2.20 -1.26 -5.03 119.74 122.37 2wya s LYS 139 Ca 0.00 0.33 -0.23 0.00 -0.36 0.00 0.00 55.97 55.71 2wya s LYS 139 Cb 0.00 -3.76 -0.08 0.00 -1.51 0.00 0.00 37.83 32.48 2wya s LYS 139 CO 0.00 -0.68 1.07 0.00 -0.36 0.00 0.00 175.35 175.37 2wya s ALA 140 N 2.81 3.00 0.32 3.13 0.00 -1.26 -4.69 121.76 125.07 2wya s ALA 140 Ca 0.28 0.72 0.07 0.00 0.00 0.00 0.00 51.96 53.03 2wya s ALA 140 Cb -0.14 -3.29 0.75 0.00 0.00 0.00 0.00 23.12 20.44 2wya s ALA 140 CO 0.14 -0.33 1.83 0.28 0.00 0.00 0.00 175.76 177.67 2wya h VAL 141 N 1.93 0.79 -0.91 0.00 2.07 -1.95 -1.22 116.25 116.96 2wya h VAL 141 Ca -0.49 -0.26 0.23 0.00 0.82 0.00 0.00 66.70 67.00 2wya h VAL 141 Cb 1.22 -0.04 -0.13 0.00 -1.52 0.00 0.00 31.29 30.82 2wya h VAL 141 CO 0.61 0.14 0.40 0.50 0.02 0.00 0.00 177.57 179.24 2wya h LYS 142 N 0.77 0.37 -0.59 1.57 1.63 -1.92 -0.46 116.57 117.94 2wya h LYS 142 Ca 0.51 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 60.22 2wya h LYS 142 Cb 0.78 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 32.30 2wya h LYS 142 CO -0.28 0.25 0.09 1.79 -3.45 0.00 0.00 179.45 177.85 2wya h THR 143 N 0.39 1.25 -0.44 1.00 1.35 -1.59 -2.18 112.91 112.68 2wya h THR 143 Ca 0.58 -0.96 -0.11 0.00 -0.55 0.00 0.00 66.41 65.37 2wya h THR 143 Cb 1.12 0.69 -0.02 0.00 -1.73 0.00 0.00 68.15 68.22 2wya h THR 143 CO -0.54 0.36 -0.16 0.58 -0.25 0.00 0.00 175.52 175.51 2wya h VAL 144 N 0.90 1.27 0.00 6.82 2.07 -1.16 -2.43 116.25 123.72 2wya h VAL 144 Ca 0.18 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 2wya h VAL 144 Cb 0.40 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2wya h VAL 144 CO 0.01 0.43 -0.03 -0.07 0.02 0.00 0.00 177.57 177.93 2wya h LEU 145 N 0.74 0.00 -2.08 2.57 3.38 -0.56 -1.48 115.31 117.88 2wya h LEU 145 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2wya h LEU 145 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2wya h LEU 145 CO 0.05 0.03 0.00 0.24 0.09 0.00 0.00 178.44 178.84 2wya h MET 146 N 0.00 0.00 -0.78 1.13 2.86 -0.90 -0.21 114.93 117.04 2wya h MET 146 Ca -0.00 0.00 0.23 0.00 -2.06 0.00 0.00 59.70 57.87 2wya h MET 146 Cb 0.13 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 2wya h MET 146 CO 0.00 0.00 0.60 0.93 1.06 0.00 0.00 176.91 179.50 2wya h GLU 147 N 0.00 0.00 0.00 1.72 4.39 -1.42 0.22 114.58 119.50 2wya h GLU 147 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2wya h GLU 147 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2wya h GLU 147 CO 0.00 0.00 -0.22 -0.07 -1.16 0.00 0.00 179.01 177.56 2wya h LEU 148 N 0.00 0.00 0.00 1.33 3.38 -1.25 -3.40 115.31 115.37 2wya h LEU 148 Ca 0.37 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.25 2wya h LEU 148 Cb 1.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 2wya h LEU 148 CO -0.00 0.03 -1.14 0.49 0.09 0.00 0.00 178.44 177.91 2wya n PHE 149 N -2.39 0.00 -0.07 1.13 3.72 0.02 -4.85 117.46 115.02 2wya n PHE 149 Ca 0.04 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.41 2wya n PHE 149 Cb 0.46 -0.10 0.19 0.00 -0.94 0.00 0.00 39.48 39.09 2wya n PHE 149 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 2wya h GLN 150 N 0.00 0.70 0.00 -1.08 3.07 -0.87 -2.64 115.11 114.29 2wya h GLN 150 Ca -0.05 -0.19 -0.04 0.00 0.09 0.00 0.00 58.65 58.45 2wya h GLN 150 Cb 1.11 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.58 2wya h GLN 150 CO -0.00 0.74 -0.19 -0.44 0.09 0.00 0.00 178.83 179.03 2wya h ASP 151 N 0.65 0.00 0.84 0.06 3.32 -1.83 -1.29 116.42 118.16 2wya h ASP 151 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2wya h ASP 151 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2wya h ASP 151 CO 0.02 0.19 0.00 -1.54 -1.72 0.00 0.00 179.24 176.19 2wya n SER 152 N -3.88 0.00 0.00 6.45 3.41 -1.00 -4.90 113.62 113.70 2wya n SER 152 Ca -0.02 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 2wya n SER 152 Cb 0.28 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2wya n SER 152 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wya n GLY 153 N 1.14 0.80 3.21 5.00 0.00 -0.49 -5.03 105.19 109.83 2wya n GLY 153 Ca 0.07 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2wya n GLY 153 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wya s ASN 154 N -2.08 6.11 0.00 1.61 0.01 -1.20 -4.81 114.94 114.58 2wya s ASN 154 Ca 0.00 -2.92 0.03 0.00 -0.71 0.00 0.00 52.86 49.26 2wya s ASN 154 Cb 0.00 -2.04 0.02 0.00 0.41 0.00 0.00 41.25 39.65 2wya s ASN 154 CO 0.00 -0.43 0.60 0.35 -1.51 0.00 0.00 177.10 176.11 2wya n THR 155 N 3.53 0.02 -2.11 1.60 -2.24 -1.26 -4.37 114.28 109.45 2wya n THR 155 Ca 0.13 -0.51 -0.42 0.00 -2.27 0.00 0.00 64.05 60.98 2wya n THR 155 Cb 0.42 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 2wya n THR 155 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2wya n ASP 156 N 0.15 4.92 -3.91 3.42 2.03 -1.26 -4.89 116.55 117.01 2wya n ASP 156 Ca 0.02 -3.02 -0.30 0.00 0.52 0.00 0.00 54.79 52.01 2wya n ASP 156 Cb 0.08 -1.53 -0.16 0.00 -0.72 0.00 0.00 41.12 38.79 2wya n ASP 156 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2wya s ILE 157 N 1.19 1.41 0.83 5.18 1.01 -1.26 -4.80 121.20 124.77 2wya s ILE 157 Ca 0.43 -1.21 -0.11 0.00 0.00 0.00 0.00 60.65 59.76 2wya s ILE 157 Cb 0.12 -1.74 0.09 0.00 0.01 0.00 0.00 42.46 40.93 2wya s ILE 157 CO -0.03 -0.17 1.10 -0.70 0.00 0.00 0.00 174.94 175.14 2wya s GLU 158 N 1.44 1.76 0.00 2.79 2.12 -0.68 -4.71 118.70 121.42 2wya s GLU 158 Ca -0.04 1.23 0.00 0.00 0.36 0.00 0.00 54.97 56.52 2wya s GLU 158 Cb -0.19 -1.84 0.00 0.00 0.26 0.00 0.00 34.13 32.37 2wya s GLU 158 CO -0.08 -2.01 0.00 0.41 -0.54 0.00 0.00 175.26 173.04 2wya n GLY 159 N -0.79 2.55 0.00 -1.50 0.00 -1.26 -0.98 105.19 103.21 2wya n GLY 159 Ca 0.09 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2wya n GLY 159 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wya n ILE 160 N 1.13 0.00 -4.30 -0.61 -5.35 -1.26 -4.81 119.36 104.17 2wya n ILE 160 Ca 0.00 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.23 2wya n ILE 160 Cb 0.00 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 37.81 2wya n ILE 160 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2wya s ASP 161 N 1.00 4.30 -0.08 7.28 1.11 -1.26 -1.26 116.67 127.77 2wya s ASP 161 Ca 0.00 -0.63 -0.05 0.00 0.18 0.00 0.00 52.55 52.06 2wya s ASP 161 Cb 0.00 -0.73 0.03 0.00 1.07 0.00 0.00 42.92 43.29 2wya s ASP 161 CO 0.00 0.07 0.18 0.28 1.18 0.00 0.00 175.17 176.88 2wya s THR 162 N -1.95 -0.03 -0.04 -1.27 -1.32 0.12 -4.92 115.64 106.22 2wya s THR 162 Ca 0.27 0.11 0.01 0.00 -1.21 0.00 0.00 61.69 60.87 2wya s THR 162 Cb -0.08 -0.28 0.02 0.00 -1.51 0.00 0.00 72.50 70.65 2wya s THR 162 CO 0.17 0.05 -0.02 -0.89 -2.21 0.00 0.00 174.62 171.71 2wya s THR 163 N 0.84 0.36 -0.29 5.08 2.01 -1.26 -3.22 115.64 119.16 2wya s THR 163 Ca -0.06 -0.00 0.03 0.00 0.31 0.00 0.00 61.69 61.96 2wya s THR 163 Cb -0.08 -0.43 0.18 0.00 0.01 0.00 0.00 72.50 72.18 2wya s THR 163 CO -0.05 0.19 0.49 0.21 -0.69 0.00 0.00 174.62 174.78 2wya s ASN 164 N 1.08 -0.57 0.52 3.53 2.47 -1.26 -4.95 114.94 115.76 2wya s ASN 164 Ca -0.09 -0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.18 2wya s ASN 164 Cb -0.14 1.56 0.00 0.00 -1.45 0.00 0.00 41.25 41.22 2wya s ASN 164 CO -0.01 -0.32 0.00 0.00 -3.72 0.00 0.00 177.10 173.05 2wya n ALA 165 N 5.39 0.00 1.38 1.71 0.00 -1.26 -1.06 120.51 126.66 2wya n ALA 165 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.48 2wya n ALA 165 Cb 0.51 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.03 2wya n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wya n TYR 167 N -0.06 0.11 -0.03 0.00 9.36 -0.23 -4.14 117.16 122.17 2wya n TYR 167 Ca 0.05 0.03 0.11 0.00 3.32 0.00 0.00 57.90 61.41 2wya n TYR 167 Cb 0.18 -0.35 0.52 0.00 -0.63 0.00 0.00 39.34 39.06 2wya n TYR 167 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 2wya h GLY 168 N 4.45 0.46 0.94 2.98 0.00 -1.68 -1.72 103.07 108.50 2wya h GLY 168 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 2wya h GLY 168 CO 0.00 0.10 0.15 -1.33 0.00 0.00 0.00 176.54 175.46 2wya h GLY 169 N 0.35 0.61 1.04 4.60 0.00 -1.78 -0.83 103.07 107.07 2wya h GLY 169 Ca 0.22 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 2wya h GLY 169 CO -0.05 0.31 0.30 -0.84 0.00 0.00 0.00 176.54 176.26 2wya h THR 170 N 0.47 1.26 -0.59 4.70 2.02 -1.64 -0.22 112.91 118.91 2wya h THR 170 Ca 0.13 -0.82 0.05 0.00 0.77 0.00 0.00 66.41 66.54 2wya h THR 170 Cb 0.19 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 66.90 2wya h THR 170 CO -0.01 0.33 0.31 0.00 0.37 0.00 0.00 175.52 176.53 2wya h ALA 171 N 1.15 0.78 -0.63 6.16 0.00 -1.09 0.40 119.26 126.03 2wya h ALA 171 Ca 0.26 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2wya h ALA 171 Cb 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2wya h ALA 171 CO -0.02 -0.03 0.13 1.03 0.00 0.00 0.00 179.25 180.36 2wya h SER 172 N 0.59 0.98 -0.06 0.00 0.87 -0.73 0.08 113.55 115.29 2wya h SER 172 Ca 0.26 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2wya h SER 172 Cb 0.17 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2wya h SER 172 CO -0.18 0.98 0.03 0.25 -0.53 0.00 0.00 176.83 177.38 2wya h LEU 173 N 0.95 0.04 -0.53 2.23 5.85 -0.50 -0.24 115.31 123.11 2wya h LEU 173 Ca 0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2wya h LEU 173 Cb 0.40 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2wya h LEU 173 CO 0.01 0.03 0.34 -0.26 -0.34 0.00 0.00 178.44 178.23 2wya h PHE 174 N 0.06 0.67 -0.83 1.25 0.04 -0.74 -1.69 116.94 115.70 2wya h PHE 174 Ca 0.02 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.84 2wya h PHE 174 Cb 0.00 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 37.88 2wya h PHE 174 CO -0.08 0.43 0.54 -0.91 -0.60 0.00 0.00 178.31 177.69 2wya h ASN 175 N 0.71 0.87 -0.21 2.17 2.35 -0.75 0.54 115.58 121.26 2wya h ASN 175 Ca 0.19 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 2wya h ASN 175 Cb -0.07 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 2wya h ASN 175 CO -0.04 0.60 -0.07 0.00 -1.65 0.00 0.00 177.43 176.27 2wya h ALA 176 N 1.52 0.29 -0.59 -0.83 0.00 -0.47 -0.47 119.26 118.71 2wya h ALA 176 Ca 0.33 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2wya h ALA 176 Cb 0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2wya h ALA 176 CO -0.10 0.09 0.28 0.00 0.00 0.00 0.00 179.25 179.52 2wya h ALA 177 N 0.73 0.77 -0.20 0.00 0.00 -1.11 -1.13 119.26 118.31 2wya h ALA 177 Ca 0.05 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2wya h ALA 177 Cb 0.53 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2wya h ALA 177 CO 0.02 0.34 0.04 -0.91 0.00 0.00 0.00 179.25 178.74 2wya h ASN 178 N 0.81 0.01 -0.30 0.00 2.35 -0.77 -2.08 115.58 115.61 2wya h ASN 178 Ca 0.20 0.03 0.03 0.00 -0.55 0.00 0.00 56.30 56.02 2wya h ASN 178 Cb 0.13 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 2wya h ASN 178 CO -0.02 0.04 0.10 -0.25 -1.65 0.00 0.00 177.43 175.64 2wya h TRP 179 N 0.12 0.18 0.00 1.19 7.01 -0.92 -2.61 115.95 120.92 2wya h TRP 179 Ca 0.09 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.08 2wya h TRP 179 Cb 0.08 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.10 2wya h TRP 179 CO -0.14 0.08 -0.12 1.98 -2.79 0.00 0.00 178.44 177.45 2wya h MET 180 N 0.23 0.00 -0.02 2.65 4.05 -0.89 -1.84 114.93 119.11 2wya h MET 180 Ca 0.13 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 2wya h MET 180 Cb 0.10 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 2wya h MET 180 CO -0.14 0.12 -0.00 0.39 0.23 0.00 0.00 176.91 177.51 2wya n GLU 181 N -3.98 1.90 -2.90 0.39 1.02 -0.81 -4.67 120.64 111.59 2wya n GLU 181 Ca -0.02 -1.30 -0.21 0.00 -0.02 0.00 0.00 57.16 55.61 2wya n GLU 181 Cb 0.21 -1.47 0.07 0.00 -0.02 0.00 0.00 31.44 30.23 2wya n GLU 181 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2wya s SER 182 N -2.00 4.93 0.07 1.62 1.04 -0.69 -4.90 113.70 113.76 2wya s SER 182 Ca 0.34 -0.67 0.17 0.00 0.48 0.00 0.00 55.95 56.27 2wya s SER 182 Cb 0.21 0.12 0.72 0.00 0.10 0.00 0.00 66.02 67.17 2wya s SER 182 CO 0.32 -1.44 1.53 -1.54 0.98 0.00 0.00 173.24 173.09 2wya n SER 183 N -2.38 0.17 -0.04 7.02 3.41 -1.26 -2.64 113.62 117.90 2wya n SER 183 Ca 0.15 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 2wya n SER 183 Cb 0.61 -0.58 0.30 0.00 -0.26 0.00 0.00 64.21 64.28 2wya n SER 183 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2wya n SER 184 N -1.69 0.55 -4.75 4.04 7.64 -1.26 -4.89 113.62 113.26 2wya n SER 184 Ca 0.03 -0.32 -0.41 0.00 1.01 0.00 0.00 58.87 59.18 2wya n SER 184 Cb 0.19 0.18 -0.02 0.00 -1.01 0.00 0.00 64.21 63.55 2wya n SER 184 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 2wya s TRP 185 N -2.91 2.91 -0.15 1.43 -0.00 -1.08 -4.90 118.94 114.23 2wya s TRP 185 Ca 0.14 0.94 0.18 0.00 -0.00 0.00 0.00 56.10 57.36 2wya s TRP 185 Cb 0.18 -3.92 0.38 0.00 -0.00 0.00 0.00 33.47 30.12 2wya s TRP 185 CO 0.66 -3.01 1.26 -0.40 -0.00 0.00 0.00 176.95 175.45 2wya n ASP 186 N 2.19 2.88 0.00 5.86 5.68 -1.26 -4.96 116.55 126.94 2wya n ASP 186 Ca 0.07 -3.11 0.00 0.00 -0.50 0.00 0.00 54.79 51.25 2wya n ASP 186 Cb 0.39 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 2wya n ASP 186 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wya n GLY 187 N -1.09 1.25 3.93 6.12 0.00 -1.26 -5.04 105.19 109.09 2wya n GLY 187 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 2wya n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wya s ARG 188 N -0.57 2.91 0.72 1.61 0.52 -1.26 -5.07 118.95 117.81 2wya s ARG 188 Ca 0.00 -0.20 -0.12 0.00 -0.52 0.00 0.00 55.73 54.89 2wya s ARG 188 Cb 0.00 -2.36 0.03 0.00 0.52 0.00 0.00 34.95 33.13 2wya s ARG 188 CO 0.00 -0.60 1.09 0.71 0.02 0.00 0.00 175.30 176.52 2wya s TYR 189 N -2.86 2.73 0.06 -0.53 2.02 0.38 -4.63 117.35 114.51 2wya s TYR 189 Ca 0.53 1.52 0.03 0.00 -0.37 0.00 0.00 57.07 58.78 2wya s TYR 189 Cb -0.10 -3.04 -0.04 0.00 -0.40 0.00 0.00 41.96 38.38 2wya s TYR 189 CO 0.43 -1.61 0.04 0.00 -1.57 0.00 0.00 175.55 172.84 2wya s ALA 190 N -2.77 3.43 -0.17 3.71 0.00 -0.66 -0.65 121.76 124.64 2wya s ALA 190 Ca 0.62 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2wya s ALA 190 Cb -0.17 -1.36 0.01 0.00 0.00 0.00 0.00 23.12 21.60 2wya s ALA 190 CO 0.51 0.71 -0.17 1.41 0.00 0.00 0.00 175.76 178.22 2wya s MET 191 N -2.11 3.12 -0.22 0.00 1.75 0.89 -0.40 119.30 122.33 2wya s MET 191 Ca 0.25 -0.78 -0.07 0.00 -1.25 0.00 0.00 55.69 53.84 2wya s MET 191 Cb -0.12 -2.62 -0.03 0.00 2.84 0.00 0.00 34.83 34.90 2wya s MET 191 CO 0.17 -0.09 0.06 0.08 -0.65 0.00 0.00 175.02 174.59 2wya s VAL 192 N 1.06 4.42 -0.04 10.11 1.01 -0.06 -2.37 120.40 134.54 2wya s VAL 192 Ca -0.01 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 61.89 2wya s VAL 192 Cb -0.14 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 2wya s VAL 192 CO -0.05 0.38 -0.22 -0.69 0.00 0.00 0.00 175.10 174.52 2wya s VAL 193 N 1.18 1.78 0.05 2.92 1.01 -0.55 -0.36 120.40 126.42 2wya s VAL 193 Ca 0.04 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 2wya s VAL 193 Cb -0.14 -1.50 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 2wya s VAL 193 CO 0.03 0.50 0.15 0.00 0.00 0.00 0.00 175.10 175.79 2wya n GLY 195 N 0.51 0.37 3.57 0.00 0.00 -1.10 -0.26 105.19 108.29 2wya n GLY 195 Ca -0.18 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 44.95 2wya n GLY 195 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wya s ASP 196 N 0.00 -0.23 -0.31 1.61 1.01 -0.56 -4.39 116.67 113.80 2wya s ASP 196 Ca 0.00 0.09 -0.02 0.00 0.71 0.00 0.00 52.55 53.33 2wya s ASP 196 Cb 0.00 0.22 0.05 0.00 1.01 0.00 0.00 42.92 44.21 2wya s ASP 196 CO 0.00 -0.33 0.01 -0.63 0.21 0.00 0.00 175.17 174.43 2wya s ILE 197 N -2.15 2.98 -0.39 0.77 1.01 -1.26 -1.93 121.20 120.23 2wya s ILE 197 Ca 0.06 -1.44 -0.15 0.00 0.00 0.00 0.00 60.65 59.11 2wya s ILE 197 Cb -0.01 -2.74 0.01 0.00 0.01 0.00 0.00 42.46 39.73 2wya s ILE 197 CO -0.05 -0.15 0.35 0.00 0.00 0.00 0.00 174.94 175.10 2wya s ALA 198 N 1.24 3.47 0.02 9.38 0.00 0.71 -4.95 121.76 131.63 2wya s ALA 198 Ca -0.04 -1.50 0.03 0.00 0.00 0.00 0.00 51.96 50.45 2wya s ALA 198 Cb -0.20 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 2wya s ALA 198 CO -0.01 -1.35 -0.09 0.14 0.00 0.00 0.00 175.76 174.45 2wya s VAL 199 N 1.90 0.68 0.20 0.00 -7.23 -1.26 -1.68 120.40 113.01 2wya s VAL 199 Ca 0.09 -0.66 0.07 0.00 -1.81 0.00 0.00 61.98 59.67 2wya s VAL 199 Cb -0.18 -0.62 -0.05 0.00 0.56 0.00 0.00 36.38 36.09 2wya s VAL 199 CO 0.12 -0.01 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.45 2wya s TYR 200 N -0.63 1.64 0.95 2.82 2.02 -1.26 -4.60 117.35 118.29 2wya s TYR 200 Ca -0.01 -0.62 -0.12 0.00 -0.37 0.00 0.00 57.07 55.96 2wya s TYR 200 Cb -0.06 -0.78 0.16 0.00 -0.40 0.00 0.00 41.96 40.88 2wya s TYR 200 CO 0.00 0.30 1.09 -1.25 -1.57 0.00 0.00 175.55 174.12 2wya s PRO 201 N -3.67 0.79 0.22 -1.71 0.04 -1.26 -4.73 135.00 124.68 2wya s PRO 201 Ca 0.22 0.85 -0.32 0.00 0.04 0.00 0.00 61.00 61.79 2wya s PRO 201 Cb 0.00 -1.75 -0.14 0.00 0.04 0.00 0.00 34.50 32.65 2wya s PRO 201 CO 0.06 -2.57 1.29 0.45 0.04 0.00 0.00 177.00 176.27 2wya n SER 202 N -4.11 2.13 0.00 6.66 2.88 -1.26 -4.05 113.62 115.87 2wya n SER 202 Ca 0.07 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 2wya n SER 202 Cb 0.55 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 2wya n SER 202 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wya n GLY 203 N 2.02 0.66 0.11 0.46 0.00 -1.26 -4.94 105.19 102.24 2wya n GLY 203 Ca 0.13 -1.82 0.11 0.00 0.00 0.00 0.00 46.02 44.44 2wya n GLY 203 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wya n ASN 204 N 3.00 0.58 0.05 1.61 6.94 -1.26 -2.38 115.26 123.80 2wya n ASN 204 Ca 0.00 0.64 0.08 0.00 -0.02 0.00 0.00 54.58 55.29 2wya n ASN 204 Cb 0.00 -0.77 -0.06 0.00 -2.36 0.00 0.00 39.78 36.59 2wya n ASN 204 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wya n ALA 205 N -1.74 2.43 -0.36 -2.53 0.00 -1.26 -4.46 120.51 112.59 2wya n ALA 205 Ca 0.02 -0.41 0.09 0.00 0.00 0.00 0.00 53.44 53.14 2wya n ALA 205 Cb 0.22 -0.95 0.27 0.00 0.00 0.00 0.00 19.45 18.98 2wya n ALA 205 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wya h ARG 206 N 0.00 0.90 0.00 0.00 2.43 -1.61 0.88 114.38 116.98 2wya h ARG 206 Ca -0.06 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2wya h ARG 206 Cb 1.17 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2wya h ARG 206 CO 0.01 0.59 0.00 -2.30 -1.51 0.00 0.00 179.97 176.76 2wya n PRO 207 N -4.66 0.35 -0.54 0.20 -0.02 -1.26 -2.63 135.00 126.44 2wya n PRO 207 Ca 0.20 0.06 0.05 0.00 -2.02 0.00 0.00 63.50 61.79 2wya n PRO 207 Cb 0.42 -1.50 0.25 0.00 -0.02 0.00 0.00 33.50 32.65 2wya n PRO 207 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wya n THR 208 N -1.10 2.37 -1.30 3.45 -2.24 0.30 -4.97 114.28 110.79 2wya n THR 208 Ca 0.09 -2.04 0.00 0.00 -2.27 0.00 0.00 64.05 59.83 2wya n THR 208 Cb 0.07 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 2wya n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wya n GLY 209 N -0.64 -0.17 0.00 3.38 0.00 -1.08 -4.04 105.19 102.65 2wya n GLY 209 Ca 0.25 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2wya n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wya n GLY 210 N 5.00 -2.05 3.58 -0.02 0.00 -0.68 -1.50 105.19 109.52 2wya n GLY 210 Ca 0.00 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 2wya n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wya s ALA 211 N -1.48 -1.91 0.00 4.61 0.00 -1.25 -0.21 121.76 121.52 2wya s ALA 211 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 51.96 53.59 2wya s ALA 211 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.33 2wya s ALA 211 CO 0.00 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.87 2wya n GLY 212 N 1.16 -2.04 3.35 0.00 0.00 -0.81 -4.44 105.19 102.41 2wya n GLY 212 Ca -0.12 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 2wya n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wya s ALA 213 N -1.47 -0.88 -0.00 4.61 0.00 -0.20 -1.50 121.76 122.32 2wya s ALA 213 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.84 2wya s ALA 213 Cb 0.00 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.85 2wya s ALA 213 CO 0.00 -0.67 -0.02 0.08 0.00 0.00 0.00 175.76 175.15 2wya s VAL 214 N -3.83 0.14 -0.05 0.00 1.01 0.64 -0.59 120.40 117.73 2wya s VAL 214 Ca 0.05 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.02 2wya s VAL 214 Cb 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 36.38 36.25 2wya s VAL 214 CO -0.10 0.05 -0.24 0.00 0.00 0.00 0.00 175.10 174.82 2wya s ALA 215 N 0.04 2.02 -0.06 5.51 0.00 -0.28 -1.24 121.76 127.75 2wya s ALA 215 Ca -0.00 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.01 2wya s ALA 215 Cb -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.50 2wya s ALA 215 CO -0.00 0.41 -0.17 -1.64 0.00 0.00 0.00 175.76 174.36 2wya s MET 216 N -0.22 2.03 -0.18 0.00 -1.94 0.51 -0.76 119.30 118.74 2wya s MET 216 Ca -0.01 -0.60 -0.19 0.00 -1.71 0.00 0.00 55.69 53.18 2wya s MET 216 Cb -0.12 -1.67 -0.03 0.00 2.01 0.00 0.00 34.83 35.01 2wya s MET 216 CO 0.02 0.16 0.52 -1.17 -0.01 0.00 0.00 175.02 174.55 2wya s LEU 217 N 0.31 4.17 -0.13 -0.03 2.96 -0.19 -0.88 118.68 124.90 2wya s LEU 217 Ca -0.11 0.72 -0.02 0.00 -0.22 0.00 0.00 54.13 54.50 2wya s LEU 217 Cb -0.14 -2.72 -0.03 0.00 0.50 0.00 0.00 46.19 43.79 2wya s LEU 217 CO 0.04 -0.16 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.25 2wya s ILE 218 N 1.48 3.93 0.31 6.68 -1.09 0.46 -0.55 121.20 132.42 2wya s ILE 218 Ca 0.25 -0.36 -0.19 0.00 -2.23 0.00 0.00 60.65 58.12 2wya s ILE 218 Cb -0.15 -2.69 0.04 0.00 -1.58 0.00 0.00 42.46 38.08 2wya s ILE 218 CO 0.10 0.53 0.79 -0.83 -1.23 0.00 0.00 174.94 174.30 2wya s GLY 219 N -0.09 0.11 0.88 6.18 0.00 -0.60 -1.66 107.32 112.13 2wya s GLY 219 Ca 0.02 -0.47 -0.11 0.00 0.00 0.00 0.00 44.72 44.17 2wya s GLY 219 CO 0.02 -0.03 1.10 -4.14 0.00 0.00 0.00 173.10 170.05 2wya s PRO 220 N -3.09 1.39 -1.43 2.90 0.02 -1.26 -1.51 135.00 132.03 2wya s PRO 220 Ca 0.14 1.05 -0.11 0.00 0.02 0.00 0.00 61.00 62.10 2wya s PRO 220 Cb -0.05 -1.81 0.04 0.00 0.02 0.00 0.00 34.50 32.70 2wya s PRO 220 CO 0.08 -2.21 1.11 1.63 -0.33 0.00 0.00 177.00 177.28 2wya n LYS 221 N -3.89 -7.02 -3.17 5.54 5.02 0.32 -4.87 118.16 110.08 2wya n LYS 221 Ca 0.08 0.74 -0.34 0.00 -2.02 0.00 0.00 58.31 56.77 2wya n LYS 221 Cb 0.54 -5.73 -0.06 0.00 -0.02 0.00 0.00 35.03 29.75 2wya n LYS 221 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wya s ALA 222 N -3.31 3.41 0.13 7.82 0.00 -0.14 -4.98 121.76 124.69 2wya s ALA 222 Ca 0.62 0.04 0.22 0.00 0.00 0.00 0.00 51.96 52.84 2wya s ALA 222 Cb -0.29 -2.73 0.81 0.00 0.00 0.00 0.00 23.12 20.91 2wya s ALA 222 CO 0.77 0.36 1.78 -1.00 0.00 0.00 0.00 175.76 177.67 2wya h PRO 223 N 2.86 0.00 -3.91 0.00 0.13 -1.88 -3.33 132.00 125.88 2wya h PRO 223 Ca -0.48 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.95 2wya h PRO 223 Cb 1.18 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.97 2wya h PRO 223 CO 0.66 0.28 -0.41 -0.51 -0.23 0.00 0.00 178.00 177.78 2wya s LEU 224 N -6.87 5.30 -0.13 1.56 1.43 -1.21 -0.57 118.68 118.19 2wya s LEU 224 Ca 0.01 -2.55 -0.17 0.00 -1.03 0.00 0.00 54.13 50.39 2wya s LEU 224 Cb 0.10 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 2wya s LEU 224 CO 0.66 -0.44 0.42 0.00 0.23 0.00 0.00 176.35 177.21 2wya s ALA 225 N 0.38 3.51 0.25 4.21 0.00 -0.56 -1.22 121.76 128.34 2wya s ALA 225 Ca 0.14 -0.27 -0.31 0.00 0.00 0.00 0.00 51.96 51.52 2wya s ALA 225 Cb -0.21 -2.57 -0.11 0.00 0.00 0.00 0.00 23.12 20.22 2wya s ALA 225 CO -0.04 0.02 1.63 -0.51 0.00 0.00 0.00 175.76 176.87 2wya s LEU 226 N 0.59 4.36 -0.29 0.00 1.43 -0.63 -0.24 118.68 123.89 2wya s LEU 226 Ca 0.23 2.87 -0.29 0.00 -1.03 0.00 0.00 54.13 55.91 2wya s LEU 226 Cb -0.14 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.47 2wya s LEU 226 CO 0.08 -0.92 1.15 -1.61 0.23 0.00 0.00 176.35 175.28 2wya s GLU 227 N 0.27 4.06 0.28 1.70 2.02 -0.21 -4.82 118.70 122.00 2wya s GLU 227 Ca 0.68 1.19 -0.29 0.00 0.02 0.00 0.00 54.97 56.56 2wya s GLU 227 Cb -0.48 -3.77 -0.10 0.00 0.10 0.00 0.00 34.13 29.88 2wya s GLU 227 CO 0.40 -0.92 1.38 1.03 0.02 0.00 0.00 175.26 177.18 2wya s ARG 228 N 3.74 4.30 0.00 1.61 0.52 -1.26 -2.62 118.95 125.24 2wya s ARG 228 Ca 0.49 2.27 0.00 0.00 -0.52 0.00 0.00 55.73 57.96 2wya s ARG 228 Cb -0.14 -3.09 0.00 0.00 0.52 0.00 0.00 34.95 32.23 2wya s ARG 228 CO 0.17 -0.33 0.00 0.41 0.02 0.00 0.00 175.30 175.57 2wya n GLY 229 N 1.62 0.81 2.74 -3.53 0.00 -1.26 -4.95 105.19 100.63 2wya n GLY 229 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2wya n GLY 229 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wya n LEU 230 N 0.00 5.45 -4.08 0.99 4.77 -1.08 -4.89 117.00 118.16 2wya n LEU 230 Ca 0.00 -5.39 -0.32 0.00 -0.03 0.00 0.00 56.01 50.26 2wya n LEU 230 Cb 0.01 -0.95 -0.15 0.00 -2.33 0.00 0.00 43.42 40.00 2wya n LEU 230 CO 0.00 1.98 -0.40 -0.13 -1.33 0.00 0.00 177.39 177.50 2wya s ARG 231 N -3.07 2.09 -0.54 3.23 0.52 -1.26 -4.15 118.95 115.76 2wya s ARG 231 Ca 0.38 -1.48 -0.20 0.00 -0.52 0.00 0.00 55.73 53.91 2wya s ARG 231 Cb 0.14 -3.04 0.06 0.00 0.52 0.00 0.00 34.95 32.63 2wya s ARG 231 CO -0.01 -0.68 0.73 0.20 0.02 0.00 0.00 175.30 175.56 2wya s GLY 232 N 1.11 1.66 0.04 -3.53 0.00 0.33 -4.79 107.32 102.15 2wya s GLY 232 Ca -0.03 -1.72 0.06 0.00 0.00 0.00 0.00 44.72 43.03 2wya s GLY 232 CO -0.05 1.66 -0.13 -1.59 0.00 0.00 0.00 173.10 172.98 2wya s THR 233 N 3.03 3.13 -0.12 0.90 2.01 -1.26 -0.49 115.64 122.83 2wya s THR 233 Ca 0.18 -1.08 -0.06 0.00 0.31 0.00 0.00 61.69 61.04 2wya s THR 233 Cb -0.18 -2.36 0.06 0.00 0.01 0.00 0.00 72.50 70.02 2wya s THR 233 CO 0.12 0.31 0.28 -2.28 -0.69 0.00 0.00 174.62 172.37 2wya s HIS 234 N -0.99 -0.41 0.03 4.92 5.65 -0.25 -4.81 115.29 119.42 2wya s HIS 234 Ca 0.16 0.94 0.04 0.00 0.25 0.00 0.00 55.06 56.45 2wya s HIS 234 Cb -0.11 0.05 -0.02 0.00 -1.18 0.00 0.00 32.58 31.33 2wya s HIS 234 CO 0.07 -0.30 -0.12 -1.64 -0.65 0.00 0.00 174.74 172.10 2wya s MET 235 N 1.73 0.83 0.22 2.88 -1.94 -1.26 -1.33 119.30 120.43 2wya s MET 235 Ca -0.05 -0.66 -0.20 0.00 -1.71 0.00 0.00 55.69 53.06 2wya s MET 235 Cb -0.11 -0.80 0.04 0.00 2.01 0.00 0.00 34.83 35.97 2wya s MET 235 CO -0.09 0.20 0.62 -1.83 -0.01 0.00 0.00 175.02 173.91 2wya s GLU 236 N -0.99 1.53 -0.51 2.03 -1.05 -1.00 -5.00 118.70 113.69 2wya s GLU 236 Ca 0.00 -0.82 -0.20 0.00 -0.15 0.00 0.00 54.97 53.80 2wya s GLU 236 Cb -0.07 0.58 0.05 0.00 -0.44 0.00 0.00 34.13 34.25 2wya s GLU 236 CO 0.01 -0.68 0.70 1.21 0.95 0.00 0.00 175.26 177.45 2wya s ASN 237 N -2.86 6.26 0.22 0.83 2.47 -1.26 -0.54 114.94 120.05 2wya s ASN 237 Ca 0.08 -0.74 0.02 0.00 0.42 0.00 0.00 52.86 52.63 2wya s ASN 237 Cb -0.03 -2.33 -0.05 0.00 -1.45 0.00 0.00 41.25 37.40 2wya s ASN 237 CO -0.01 -0.96 0.05 0.68 -3.72 0.00 0.00 177.10 173.13 2wya s VAL 238 N 2.94 0.66 -0.41 -5.21 -7.23 -0.17 -4.91 120.40 106.07 2wya s VAL 238 Ca 0.19 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.45 2wya s VAL 238 Cb -0.17 -2.40 0.43 0.00 0.56 0.00 0.00 36.38 34.80 2wya s VAL 238 CO 0.14 -0.23 1.07 -1.22 -0.31 0.00 0.00 175.10 174.55 2wya n TYR 239 N -0.37 2.89 0.06 2.82 4.01 -1.26 -4.40 117.16 120.90 2wya n TYR 239 Ca -0.03 -3.04 -0.17 0.00 -0.16 0.00 0.00 57.90 54.50 2wya n TYR 239 Cb 0.65 -0.15 -0.08 0.00 -0.31 0.00 0.00 39.34 39.45 2wya n TYR 239 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 2wya h ASP 240 N 2.68 0.71 -3.11 7.72 2.03 -1.91 -3.44 116.42 121.09 2wya h ASP 240 Ca 0.21 -0.58 -0.06 0.00 -0.73 0.00 0.00 57.03 55.87 2wya h ASP 240 Cb 0.98 -0.22 -0.24 0.00 -0.83 0.00 0.00 39.33 39.02 2wya h ASP 240 CO 0.77 1.38 -0.16 0.12 -1.03 0.00 0.00 179.24 180.32 2wya s PHE 241 N -3.25 -0.81 0.23 4.15 5.36 -1.26 -1.17 117.98 121.24 2wya s PHE 241 Ca -0.08 1.67 -0.22 0.00 -0.96 0.00 0.00 56.93 57.34 2wya s PHE 241 Cb 0.08 0.43 0.04 0.00 -0.34 0.00 0.00 43.02 43.23 2wya s PHE 241 CO 0.89 -0.43 0.70 1.52 -1.46 0.00 0.00 175.22 176.44 2wya s TYR 242 N 1.53 -0.30 -0.54 10.12 -0.85 -0.71 -4.25 117.35 122.35 2wya s TYR 242 Ca -0.10 -0.07 0.06 0.00 -0.52 0.00 0.00 57.07 56.44 2wya s TYR 242 Cb -0.07 0.66 0.21 0.00 0.38 0.00 0.00 41.96 43.14 2wya s TYR 242 CO -0.16 -1.09 0.52 1.63 -1.52 0.00 0.00 175.55 174.93 2wya n LYS 243 N -0.43 1.29 0.00 -3.49 5.02 -1.26 -0.53 118.16 118.75 2wya n LYS 243 Ca -0.08 -3.87 0.12 0.00 -2.02 0.00 0.00 58.31 52.45 2wya n LYS 243 Cb 0.61 -1.85 0.18 0.00 -0.02 0.00 0.00 35.03 33.94 2wya n LYS 243 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2wya n PRO 244 N 1.79 0.13 -3.02 1.97 -0.04 -1.26 -4.61 135.00 129.96 2wya n PRO 244 Ca 0.25 -0.08 -0.44 0.00 -0.04 0.00 0.00 63.50 63.18 2wya n PRO 244 Cb 0.44 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 2wya n PRO 244 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2wya s ASN 245 N -2.93 6.51 0.48 3.54 0.01 -1.26 -4.89 114.94 116.40 2wya s ASN 245 Ca 0.12 -1.90 0.23 0.00 -0.71 0.00 0.00 52.86 50.60 2wya s ASN 245 Cb 0.17 -2.35 1.24 0.00 0.41 0.00 0.00 41.25 40.72 2wya s ASN 245 CO 0.71 -1.04 2.01 -0.07 -1.51 0.00 0.00 177.10 177.20 2wya h LEU 246 N 10.03 0.00 -1.48 0.60 3.38 -1.97 -0.41 115.31 125.46 2wya h LEU 246 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2wya h LEU 246 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2wya h LEU 246 CO 1.06 0.17 0.00 0.00 0.09 0.00 0.00 178.44 179.76 2wya n ALA 247 N -2.35 2.49 -2.49 1.53 0.00 -1.26 -4.85 120.51 113.57 2wya n ALA 247 Ca -0.02 -0.67 -0.32 0.00 0.00 0.00 0.00 53.44 52.44 2wya n ALA 247 Cb 0.27 -1.02 -0.13 0.00 0.00 0.00 0.00 19.45 18.58 2wya n ALA 247 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wya s SER 248 N -1.52 4.05 0.41 0.00 0.15 -0.16 -4.95 113.70 111.69 2wya s SER 248 Ca 0.34 -0.26 0.29 0.00 0.70 0.00 0.00 55.95 57.01 2wya s SER 248 Cb 0.19 -0.81 1.07 0.00 -1.71 0.00 0.00 66.02 64.75 2wya s SER 248 CO 0.27 0.31 1.83 -0.33 1.20 0.00 0.00 173.24 176.52 2wya h GLU 249 N 4.96 0.00 -6.37 5.44 5.08 -1.89 -3.46 114.58 118.34 2wya h GLU 249 Ca -0.47 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.34 2wya h GLU 249 Cb 1.16 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 2wya h GLU 249 CO 0.50 0.00 0.09 0.71 -1.00 0.00 0.00 179.01 179.31 2wya s TYR 250 N -3.45 3.84 0.60 4.33 2.02 -1.26 -4.85 117.35 118.59 2wya s TYR 250 Ca 0.04 1.46 -0.09 0.00 -0.37 0.00 0.00 57.07 58.11 2wya s TYR 250 Cb 0.09 -2.66 -0.03 0.00 -0.40 0.00 0.00 41.96 38.96 2wya s TYR 250 CO 0.52 0.51 0.98 -1.25 -1.57 0.00 0.00 175.55 174.74 2wya s PRO 251 N -0.98 3.42 -0.13 -1.71 0.04 -1.26 -4.78 135.00 129.61 2wya s PRO 251 Ca 0.33 0.53 -0.22 0.00 0.04 0.00 0.00 61.00 61.68 2wya s PRO 251 Cb -0.21 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 2wya s PRO 251 CO 0.23 -0.57 0.65 0.42 0.04 0.00 0.00 177.00 177.76 2wya s ILE 252 N -3.10 5.05 -0.03 0.56 1.01 0.31 -4.96 121.20 120.05 2wya s ILE 252 Ca 0.54 1.29 0.01 0.00 0.00 0.00 0.00 60.65 62.48 2wya s ILE 252 Cb -0.11 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.40 2wya s ILE 252 CO 0.51 0.20 -0.03 0.54 0.00 0.00 0.00 174.94 176.15 2wya s VAL 253 N 1.26 0.40 -0.50 2.92 0.11 -1.26 -1.73 120.40 121.59 2wya s VAL 253 Ca 0.33 -0.09 -0.14 0.00 -2.93 0.00 0.00 61.98 59.14 2wya s VAL 253 Cb -0.16 -0.42 0.11 0.00 -1.53 0.00 0.00 36.38 34.38 2wya s VAL 253 CO 0.14 0.17 0.43 -0.62 -3.33 0.00 0.00 175.10 171.89 2wya s ASP 254 N 0.64 6.07 0.12 3.54 -1.08 -0.31 -4.99 116.67 120.65 2wya s ASP 254 Ca -0.08 -1.67 -0.25 0.00 -0.52 0.00 0.00 52.55 50.03 2wya s ASP 254 Cb -0.11 -2.16 -0.06 0.00 -1.46 0.00 0.00 42.92 39.14 2wya s ASP 254 CO -0.00 -0.76 1.64 1.23 0.52 0.00 0.00 175.17 177.80 2wya h GLY 255 N 8.76 -0.35 1.01 2.66 0.00 -1.99 0.71 103.07 113.87 2wya h GLY 255 Ca -0.28 0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.33 2wya h GLY 255 CO 0.95 -0.20 0.40 1.70 0.00 0.00 0.00 176.54 179.40 2wya h LYS 256 N -0.37 0.81 -0.69 4.80 3.64 -1.96 -2.17 116.57 120.63 2wya h LYS 256 Ca 0.06 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 2wya h LYS 256 Cb 0.45 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 2wya h LYS 256 CO -0.20 0.54 0.24 1.25 -2.27 0.00 0.00 179.45 179.01 2wya h LEU 257 N 0.83 0.98 -1.21 5.20 5.85 -1.81 -1.68 115.31 123.46 2wya h LEU 257 Ca 0.22 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2wya h LEU 257 Cb -0.09 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.65 2wya h LEU 257 CO -0.05 0.91 0.42 0.77 -0.34 0.00 0.00 178.44 180.16 2wya h SER 258 N 1.00 0.85 -0.27 1.25 4.64 -0.46 0.14 113.55 120.69 2wya h SER 258 Ca 0.22 -0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.39 2wya h SER 258 Cb 0.27 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2wya h SER 258 CO -0.01 0.65 -0.24 0.40 -0.87 0.00 0.00 176.83 176.76 2wya h ILE 259 N 0.97 1.31 -0.78 0.95 2.04 -1.09 -1.21 117.51 119.70 2wya h ILE 259 Ca 0.25 -1.40 -0.04 0.00 1.00 0.00 0.00 64.86 64.68 2wya h ILE 259 Cb -0.03 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 2wya h ILE 259 CO -0.05 0.44 0.33 1.56 0.00 0.00 0.00 178.15 180.43 2wya h GLN 260 N 0.37 1.15 -0.37 2.37 4.20 -0.80 -1.96 115.11 120.07 2wya h GLN 260 Ca 0.05 -0.19 -0.15 0.00 0.06 0.00 0.00 58.65 58.41 2wya h GLN 260 Cb 0.80 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2wya h GLN 260 CO 0.06 0.92 -0.37 0.00 -0.67 0.00 0.00 178.83 178.77 2wya h TYR 262 N 0.70 0.19 -0.28 0.00 3.20 -1.11 -0.07 116.97 119.60 2wya h TYR 262 Ca 0.06 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.79 2wya h TYR 262 Cb 0.97 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 2wya h TYR 262 CO 0.07 0.09 -0.43 -0.07 -1.64 0.00 0.00 178.16 176.17 2wya h LEU 263 N 0.24 0.77 -0.50 2.82 3.38 -1.19 -0.14 115.31 120.69 2wya h LEU 263 Ca 0.13 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 2wya h LEU 263 Cb 0.10 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2wya h LEU 263 CO -0.13 1.10 0.09 -0.09 0.09 0.00 0.00 178.44 179.49 2wya h ARG 264 N 0.58 0.82 -0.88 1.13 2.43 -0.78 -1.01 114.38 116.67 2wya h ARG 264 Ca 0.04 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 58.98 2wya h ARG 264 Cb 0.98 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 2wya h ARG 264 CO 0.09 0.81 0.50 0.00 -1.51 0.00 0.00 179.97 179.87 2wya h ALA 265 N 0.97 1.23 -0.25 2.80 0.00 -0.82 -1.26 119.26 121.95 2wya h ALA 265 Ca 0.15 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2wya h ALA 265 Cb 0.38 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2wya h ALA 265 CO 0.01 0.64 0.14 1.25 0.00 0.00 0.00 179.25 181.28 2wya h LEU 266 N 1.22 0.22 -0.23 0.00 5.85 -0.65 0.61 115.31 122.33 2wya h LEU 266 Ca 0.31 0.00 0.06 0.00 0.84 0.00 0.00 57.88 59.09 2wya h LEU 266 Cb -0.01 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 2wya h LEU 266 CO -0.05 0.16 -0.17 0.44 -0.34 0.00 0.00 178.44 178.48 2wya h ASP 267 N 0.29 -0.54 -0.40 1.25 3.32 -0.73 -0.33 116.42 119.28 2wya h ASP 267 Ca 0.10 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 2wya h ASP 267 Cb 0.01 0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 2wya h ASP 267 CO -0.05 -0.21 0.05 0.03 -1.72 0.00 0.00 179.24 177.34 2wya h ARG 268 N -0.16 0.68 -0.50 3.56 2.47 -0.92 -1.37 114.38 118.13 2wya h ARG 268 Ca 0.13 -0.19 -0.13 0.00 -1.26 0.00 0.00 59.98 58.53 2wya h ARG 268 Cb 0.36 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 2wya h ARG 268 CO -0.32 0.74 -0.17 0.00 0.56 0.00 0.00 179.97 180.77 2wya h TYR 270 N 0.87 1.18 -0.45 0.00 3.20 -0.95 0.53 116.97 121.35 2wya h TYR 270 Ca 0.12 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 2wya h TYR 270 Cb 0.75 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 2wya h TYR 270 CO 0.05 0.95 0.20 1.15 -1.64 0.00 0.00 178.16 178.88 2wya h THR 271 N 1.06 1.19 -0.40 1.81 2.02 -1.12 -0.04 112.91 117.44 2wya h THR 271 Ca 0.22 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 2wya h THR 271 Cb 0.36 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 2wya h THR 271 CO 0.00 0.22 0.19 -1.28 0.37 0.00 0.00 175.52 175.01 2wya h SER 272 N 0.59 0.53 -0.25 4.18 0.87 -0.99 -1.27 113.55 117.21 2wya h SER 272 Ca 0.15 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2wya h SER 272 Cb 0.15 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2wya h SER 272 CO -0.02 0.51 0.14 0.22 -0.53 0.00 0.00 176.83 177.16 2wya h TYR 273 N 0.50 0.34 -0.90 2.24 3.20 -0.79 -1.80 116.97 119.76 2wya h TYR 273 Ca 0.14 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.02 2wya h TYR 273 Cb 0.13 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.24 2wya h TYR 273 CO -0.01 0.28 0.59 0.00 -1.64 0.00 0.00 178.16 177.38 2wya h ARG 274 N 0.30 1.15 -0.52 1.82 3.08 -0.85 -0.83 114.38 118.53 2wya h ARG 274 Ca 0.09 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2wya h ARG 274 Cb 0.05 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 2wya h ARG 274 CO -0.02 0.76 0.32 -0.22 -1.07 0.00 0.00 179.97 179.74 2wya h LYS 275 N 1.18 0.70 -0.38 0.04 3.64 -1.01 -0.46 116.57 120.29 2wya h LYS 275 Ca 0.34 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.59 2wya h LYS 275 Cb -0.08 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 2wya h LYS 275 CO -0.09 0.50 -0.04 0.87 -2.27 0.00 0.00 179.45 178.42 2wya h LYS 276 N 0.69 0.69 -0.08 1.90 1.57 -0.80 -1.00 116.57 119.55 2wya h LYS 276 Ca 0.19 -0.24 -0.17 0.00 -1.87 0.00 0.00 60.65 58.56 2wya h LYS 276 Cb -0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2wya h LYS 276 CO -0.04 0.82 -0.67 0.97 -0.57 0.00 0.00 179.45 179.96 2wya h ILE 277 N 0.50 1.39 -0.30 1.86 2.10 -1.09 -2.20 117.51 119.77 2wya h ILE 277 Ca 0.10 -2.09 -0.08 0.00 1.08 0.00 0.00 64.86 63.88 2wya h ILE 277 Cb 0.53 2.07 -0.02 0.00 -1.09 0.00 0.00 36.82 38.31 2wya h ILE 277 CO 0.03 0.62 -0.15 1.56 -1.08 0.00 0.00 178.15 179.13 2wya h GLN 278 N 0.23 0.53 -0.54 2.19 4.20 -0.98 0.14 115.11 120.89 2wya h GLN 278 Ca -0.02 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 2wya h GLN 278 Cb 1.22 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 2wya h GLN 278 CO 0.11 0.67 0.05 -0.91 -0.67 0.00 0.00 178.83 178.09 2wya h ASN 279 N 0.49 0.89 -0.48 1.46 2.35 -0.95 0.13 115.58 119.46 2wya h ASN 279 Ca 0.09 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 2wya h ASN 279 Cb 0.55 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 2wya h ASN 279 CO 0.03 0.95 0.25 1.56 -1.65 0.00 0.00 177.43 178.57 2wya h GLN 280 N 0.80 0.68 -0.69 0.81 4.20 -0.91 -2.07 115.11 117.93 2wya h GLN 280 Ca 0.16 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2wya h GLN 280 Cb 0.46 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 2wya h GLN 280 CO 0.02 0.55 0.41 -1.49 -0.67 0.00 0.00 178.83 177.65 2wya h TRP 281 N 0.64 0.91 -0.55 2.96 6.55 -0.40 -1.94 115.95 124.12 2wya h TRP 281 Ca 0.17 -0.00 0.02 0.00 0.95 0.00 0.00 58.89 60.03 2wya h TRP 281 Cb 0.08 -0.30 -0.03 0.00 -0.86 0.00 0.00 29.16 28.04 2wya h TRP 281 CO -0.01 0.62 0.34 0.87 -1.05 0.00 0.00 178.44 179.20 2wya h LYS 282 N 0.94 0.66 0.00 0.49 1.57 -0.24 0.14 116.57 120.13 2wya h LYS 282 Ca 0.25 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2wya h LYS 282 Cb -0.02 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 2wya h LYS 282 CO -0.05 0.44 -0.03 1.96 -0.57 0.00 0.00 179.45 181.20 2wya h GLN 283 N 0.68 0.00 -0.50 3.15 4.20 -1.06 -0.00 115.11 121.58 2wya h GLN 283 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2wya h GLN 283 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2wya h GLN 283 CO -0.09 0.03 0.00 0.00 -0.67 0.00 0.00 178.83 178.11 2wya n ALA 284 N -2.52 2.47 -0.99 3.87 0.00 -0.52 -4.92 120.51 117.89 2wya n ALA 284 Ca -0.03 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.54 2wya n ALA 284 Cb 0.12 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2wya n ALA 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wya n GLY 285 N 1.23 0.84 2.97 0.00 0.00 -0.01 -5.04 105.19 105.18 2wya n GLY 285 Ca 0.16 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 2wya n GLY 285 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wya s SER 286 N -2.62 1.73 0.00 1.61 0.15 0.38 -4.97 113.70 109.97 2wya s SER 286 Ca 0.00 -0.27 0.24 0.00 0.70 0.00 0.00 55.95 56.62 2wya s SER 286 Cb 0.00 -0.76 0.41 0.00 -1.71 0.00 0.00 66.02 63.96 2wya s SER 286 CO 0.00 -0.02 1.39 0.47 1.20 0.00 0.00 173.24 176.27 2wya n ASP 287 N 4.14 3.05 -4.76 5.45 9.92 -1.26 -2.17 116.55 130.93 2wya n ASP 287 Ca -0.21 -1.95 -0.37 0.00 -0.53 0.00 0.00 54.79 51.73 2wya n ASP 287 Cb 0.51 -0.14 0.02 0.00 -0.64 0.00 0.00 41.12 40.87 2wya n ASP 287 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wya s ARG 288 N -1.72 3.43 0.33 -1.24 1.70 -1.26 -5.00 118.95 115.18 2wya s ARG 288 Ca 0.34 1.96 -0.22 0.00 -0.47 0.00 0.00 55.73 57.35 2wya s ARG 288 Cb 0.21 -2.29 -0.10 0.00 -0.57 0.00 0.00 34.95 32.20 2wya s ARG 288 CO 0.31 -0.88 0.87 -1.25 -1.08 0.00 0.00 175.30 173.27 2wya s PRO 289 N -2.85 4.32 0.04 3.89 0.04 -1.26 -4.92 135.00 134.26 2wya s PRO 289 Ca 0.68 1.07 -0.28 0.00 0.04 0.00 0.00 61.00 62.51 2wya s PRO 289 Cb -0.33 -2.57 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 2wya s PRO 289 CO 0.40 0.19 0.90 0.12 0.04 0.00 0.00 177.00 178.65 2wya s PHE 290 N -1.82 3.72 0.36 0.56 5.36 -1.26 -5.04 117.98 119.85 2wya s PHE 290 Ca 0.53 1.64 0.06 0.00 -0.96 0.00 0.00 56.93 58.20 2wya s PHE 290 Cb -0.14 -3.00 -0.03 0.00 -0.34 0.00 0.00 43.02 39.51 2wya s PHE 290 CO 0.19 0.13 0.23 0.95 -1.46 0.00 0.00 175.22 175.26 2wya s THR 291 N 0.44 0.18 0.63 0.12 -4.23 -1.26 -5.02 115.64 106.50 2wya s THR 291 Ca 0.46 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.29 2wya s THR 291 Cb -0.21 -2.43 0.36 0.00 1.34 0.00 0.00 72.50 71.55 2wya s THR 291 CO 0.27 0.00 2.06 -0.07 -0.54 0.00 0.00 174.62 176.33 2wya h LEU 292 N 2.02 0.00 -2.39 4.79 3.38 -1.94 0.35 115.31 121.52 2wya h LEU 292 Ca -0.28 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2wya h LEU 292 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 2wya h LEU 292 CO 0.43 0.00 -0.01 0.44 0.09 0.00 0.00 178.44 179.39 2wya h ASP 293 N 0.00 0.00 -0.10 -0.43 3.32 -1.99 -1.86 116.42 115.36 2wya h ASP 293 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2wya h ASP 293 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2wya h ASP 293 CO -0.00 0.01 0.00 0.47 -1.72 0.00 0.00 179.24 178.00 2wya n ASP 294 N -3.17 1.62 -4.38 6.45 8.00 0.11 -4.77 116.55 120.42 2wya n ASP 294 Ca -0.02 -1.62 -0.33 0.00 0.71 0.00 0.00 54.79 53.53 2wya n ASP 294 Cb 0.16 -0.06 -0.14 0.00 -0.02 0.00 0.00 41.12 41.06 2wya n ASP 294 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wya s LEU 295 N -1.76 2.72 0.03 0.64 1.43 -0.70 -4.79 118.68 116.26 2wya s LEU 295 Ca 0.35 -0.32 0.09 0.00 -1.03 0.00 0.00 54.13 53.22 2wya s LEU 295 Cb 0.19 -1.61 -0.23 0.00 0.03 0.00 0.00 46.19 44.58 2wya s LEU 295 CO 0.30 0.18 0.95 1.56 0.23 0.00 0.00 176.35 179.56 2wya h GLN 296 N 6.62 0.02 -4.12 1.70 7.50 -1.43 -3.47 115.11 121.93 2wya h GLN 296 Ca -0.27 -0.04 -0.16 0.00 0.50 0.00 0.00 58.65 58.68 2wya h GLN 296 Cb 1.21 0.01 -0.19 0.00 0.05 0.00 0.00 27.48 28.56 2wya h GLN 296 CO 0.55 0.77 -0.70 0.71 -1.50 0.00 0.00 178.83 178.66 2wya s TYR 297 N -2.65 0.39 -0.14 2.96 2.02 -1.05 -4.40 117.35 114.49 2wya s TYR 297 Ca -0.03 -0.70 -0.04 0.00 -0.37 0.00 0.00 57.07 55.93 2wya s TYR 297 Cb 0.09 -0.28 0.07 0.00 -0.40 0.00 0.00 41.96 41.44 2wya s TYR 297 CO 0.82 -0.24 0.22 1.41 -1.57 0.00 0.00 175.55 176.20 2wya s MET 298 N -2.27 0.13 0.18 -0.62 -2.45 -0.45 -0.68 119.30 113.13 2wya s MET 298 Ca -0.08 0.52 0.11 0.00 -1.25 0.00 0.00 55.69 55.00 2wya s MET 298 Cb -0.04 -0.47 -0.04 0.00 1.25 0.00 0.00 34.83 35.52 2wya s MET 298 CO -0.04 -0.41 -0.23 0.96 1.05 0.00 0.00 175.02 176.35 2wya s ILE 299 N 2.35 2.40 0.02 10.11 -4.36 -0.12 -4.33 121.20 127.29 2wya s ILE 299 Ca 0.04 -1.97 -0.00 0.00 -0.26 0.00 0.00 60.65 58.45 2wya s ILE 299 Cb -0.13 -2.15 -0.02 0.00 1.25 0.00 0.00 42.46 41.41 2wya s ILE 299 CO -0.09 -0.09 -0.03 -0.36 0.24 0.00 0.00 174.94 174.61 2wya s PHE 300 N -1.60 0.27 0.15 1.37 0.08 -1.26 -1.01 117.98 115.97 2wya s PHE 300 Ca 0.20 -0.54 -0.34 0.00 0.12 0.00 0.00 56.93 56.37 2wya s PHE 300 Cb -0.08 -0.20 -0.14 0.00 -0.57 0.00 0.00 43.02 42.03 2wya s PHE 300 CO 0.10 -0.20 1.56 1.58 -0.10 0.00 0.00 175.22 178.16 2wya n HIS 301 N 1.55 2.21 -3.89 0.36 -0.00 -0.12 -4.35 115.22 110.98 2wya n HIS 301 Ca -0.24 0.30 -0.30 0.00 -0.00 0.00 0.00 57.72 57.48 2wya n HIS 301 Cb 0.55 -2.53 -0.14 0.00 -0.00 0.00 0.00 29.99 27.88 2wya n HIS 301 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2wya s THR 302 N 0.93 2.15 0.22 3.57 2.01 -1.26 -4.90 115.64 118.36 2wya s THR 302 Ca 0.80 -2.87 0.15 0.00 0.31 0.00 0.00 61.69 60.08 2wya s THR 302 Cb -0.70 -2.52 0.08 0.00 0.01 0.00 0.00 72.50 69.36 2wya s THR 302 CO 0.39 -0.78 1.70 1.55 -0.69 0.00 0.00 174.62 176.79 2wya h PRO 303 N 6.83 0.00 -2.01 4.92 0.13 -1.94 -3.40 132.00 136.53 2wya h PRO 303 Ca -0.06 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.18 2wya h PRO 303 Cb 0.93 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.88 2wya h PRO 303 CO 0.60 0.46 0.53 -0.59 -0.23 0.00 0.00 178.00 178.76 2wya s PHE 304 N -3.65 -0.34 0.24 1.56 -0.12 -1.26 -4.37 117.98 110.03 2wya s PHE 304 Ca -0.01 0.34 -0.03 0.00 -0.05 0.00 0.00 56.93 57.19 2wya s PHE 304 Cb 0.12 0.51 0.27 0.00 -0.63 0.00 0.00 43.02 43.29 2wya s PHE 304 CO 0.72 -0.46 1.70 0.00 -0.05 0.00 0.00 175.22 177.12 2wya h LYS 306 N 0.68 1.05 -0.89 0.00 1.63 -1.51 -1.32 116.57 116.20 2wya h LYS 306 Ca 0.11 -0.07 0.11 0.00 -0.85 0.00 0.00 60.65 59.96 2wya h LYS 306 Cb 0.60 -0.23 -0.08 0.00 -0.60 0.00 0.00 32.23 31.91 2wya h LYS 306 CO 0.04 0.70 0.52 1.98 -3.45 0.00 0.00 179.45 179.24 2wya h MET 307 N 1.08 0.80 -0.13 1.90 4.05 -1.71 -1.48 114.93 119.44 2wya h MET 307 Ca 0.29 -0.05 -0.22 0.00 -0.28 0.00 0.00 59.70 59.44 2wya h MET 307 Cb -0.12 -0.18 0.01 0.00 -0.80 0.00 0.00 31.60 30.51 2wya h MET 307 CO -0.06 0.53 -0.79 0.28 0.23 0.00 0.00 176.91 177.10 2wya h VAL 308 N 0.83 1.30 -0.78 -5.77 2.07 -1.27 -0.38 116.25 112.25 2wya h VAL 308 Ca 0.45 -2.03 0.02 0.00 0.82 0.00 0.00 66.70 65.95 2wya h VAL 308 Cb 0.47 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 2wya h VAL 308 CO -0.28 0.64 0.51 -0.61 0.02 0.00 0.00 177.57 177.85 2wya h GLN 309 N 0.47 0.99 -0.10 1.57 4.15 -1.05 -0.47 115.11 120.67 2wya h GLN 309 Ca -0.05 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.23 2wya h GLN 309 Cb 1.41 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 2wya h GLN 309 CO 0.16 0.66 -0.28 0.87 -1.93 0.00 0.00 178.83 178.30 2wya h LYS 310 N 1.02 0.17 -0.28 1.69 1.57 -1.10 -2.48 116.57 117.16 2wya h LYS 310 Ca 0.29 -0.06 -0.19 0.00 -1.87 0.00 0.00 60.65 58.82 2wya h LYS 310 Cb -0.07 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.22 2wya h LYS 310 CO -0.08 0.45 -0.56 0.77 -0.57 0.00 0.00 179.45 179.46 2wya h SER 311 N 0.16 0.98 -0.69 0.86 0.02 -0.17 -0.69 113.55 114.02 2wya h SER 311 Ca 0.02 -0.54 -0.06 0.00 -0.84 0.00 0.00 61.79 60.37 2wya h SER 311 Cb 0.59 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 2wya h SER 311 CO 0.04 1.34 0.19 0.25 -1.14 0.00 0.00 176.83 177.51 2wya h LEU 312 N 0.67 1.04 -1.05 5.07 5.85 -1.03 -1.26 115.31 124.60 2wya h LEU 312 Ca 0.01 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.55 2wya h LEU 312 Cb 1.18 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 2wya h LEU 312 CO 0.13 0.99 0.64 0.00 -0.34 0.00 0.00 178.44 179.85 2wya h ALA 313 N 1.14 1.35 -0.65 1.25 0.00 -1.26 -1.60 119.26 119.51 2wya h ALA 313 Ca 0.22 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2wya h ALA 313 Cb 0.34 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2wya h ALA 313 CO -0.00 0.56 0.12 -0.09 0.00 0.00 0.00 179.25 179.85 2wya h ARG 314 N 1.25 1.04 -0.76 0.00 9.65 -0.51 -1.30 114.38 123.75 2wya h ARG 314 Ca 0.38 -0.26 -0.05 0.00 -1.10 0.00 0.00 59.98 58.95 2wya h ARG 314 Cb -0.04 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.38 2wya h ARG 314 CO -0.11 0.94 0.26 -0.07 2.80 0.00 0.00 179.97 183.80 2wya h LEU 315 N 0.98 1.09 -1.04 3.80 3.38 -0.73 -1.20 115.31 121.60 2wya h LEU 315 Ca 0.20 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2wya h LEU 315 Cb 0.39 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2wya h LEU 315 CO 0.01 0.99 0.17 -0.03 0.09 0.00 0.00 178.44 179.67 2wya h MET 316 N 1.12 0.86 -0.38 1.13 4.05 -0.86 -1.02 114.93 119.84 2wya h MET 316 Ca 0.25 -0.16 -0.10 0.00 -0.28 0.00 0.00 59.70 59.41 2wya h MET 316 Cb 0.28 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.93 2wya h MET 316 CO -0.01 0.75 -0.16 0.35 0.23 0.00 0.00 176.91 178.07 2wya h PHE 317 N 0.83 0.76 -0.51 1.39 3.57 -0.80 -0.41 116.94 121.78 2wya h PHE 317 Ca 0.19 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2wya h PHE 317 Cb 0.26 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2wya h PHE 317 CO 0.02 0.81 0.25 -0.97 -2.23 0.00 0.00 178.31 176.18 2wya h ASN 318 N 0.62 0.67 -0.38 0.41 -0.73 -0.64 0.12 115.58 115.65 2wya h ASN 318 Ca 0.10 -0.13 0.05 0.00 1.87 0.00 0.00 56.30 58.19 2wya h ASN 318 Cb 0.62 -0.17 -0.04 0.00 0.27 0.00 0.00 38.32 38.99 2wya h ASN 318 CO 0.04 0.61 0.13 0.44 -0.37 0.00 0.00 177.43 178.28 2wya h ASP 319 N 0.68 0.13 0.13 1.15 3.32 -0.69 -1.38 116.42 119.77 2wya h ASP 319 Ca 0.18 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2wya h ASP 319 Cb 0.12 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2wya h ASP 319 CO -0.02 0.11 -0.11 0.15 -1.72 0.00 0.00 179.24 177.65 2wya h PHE 320 N 0.28 -0.28 0.00 4.55 3.57 -0.77 -1.41 116.94 122.89 2wya h PHE 320 Ca 0.18 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 2wya h PHE 320 Cb 0.16 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 2wya h PHE 320 CO -0.15 -0.17 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.46 2wya h LEU 321 N -0.25 0.00 0.00 0.59 3.38 -0.80 -1.90 115.31 116.32 2wya h LEU 321 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wya h LEU 321 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2wya h LEU 321 CO -0.01 0.23 -0.29 -1.20 0.09 0.00 0.00 178.44 177.26 2wya n SER 322 N -3.77 0.50 -4.85 -0.43 7.64 -0.53 -4.93 113.62 107.25 2wya n SER 322 Ca -0.01 0.24 -0.32 0.00 1.01 0.00 0.00 58.87 59.79 2wya n SER 322 Cb 0.34 -0.21 -0.01 0.00 -1.01 0.00 0.00 64.21 63.31 2wya n SER 322 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wya s ALA 323 N -3.07 3.04 0.75 -0.43 0.00 -0.56 -5.04 121.76 116.44 2wya s ALA 323 Ca 0.10 0.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.00 2wya s ALA 323 Cb 0.15 -3.11 0.05 0.00 0.00 0.00 0.00 23.12 20.21 2wya s ALA 323 CO 0.64 -0.54 1.13 -1.54 0.00 0.00 0.00 175.76 175.45 2wya s SER 324 N -3.59 4.38 0.25 0.00 1.04 -1.26 -4.76 113.70 109.75 2wya s SER 324 Ca 0.57 2.05 -0.03 0.00 0.48 0.00 0.00 55.95 59.02 2wya s SER 324 Cb -0.11 -2.55 0.48 0.00 0.10 0.00 0.00 66.02 63.94 2wya s SER 324 CO 0.43 -2.13 1.74 -1.28 0.98 0.00 0.00 173.24 172.98 2wya h SER 325 N -0.70 0.34 -0.21 7.02 0.87 -1.96 0.85 113.55 119.75 2wya h SER 325 Ca -0.45 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2wya h SER 325 Cb 1.26 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.27 2wya h SER 325 CO 0.50 0.13 0.12 0.44 -0.53 0.00 0.00 176.83 177.50 2wya h ASP 326 N 0.49 0.26 -0.71 6.23 3.32 -2.00 -2.13 116.42 121.88 2wya h ASP 326 Ca 0.43 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.37 2wya h ASP 326 Cb 0.65 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 2wya h ASP 326 CO -0.40 0.25 0.28 0.74 -1.72 0.00 0.00 179.24 178.40 2wya h THR 327 N 0.25 1.25 -0.14 0.35 2.02 -1.66 -1.48 112.91 113.49 2wya h THR 327 Ca 0.08 -0.79 0.03 0.00 0.77 0.00 0.00 66.41 66.50 2wya h THR 327 Cb 0.04 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 2wya h THR 327 CO -0.01 0.32 -0.07 1.56 0.37 0.00 0.00 175.52 177.69 2wya h GLN 328 N 1.05 -0.05 -0.46 6.66 4.20 -0.59 0.08 115.11 126.00 2wya h GLN 328 Ca 0.24 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.87 2wya h GLN 328 Cb 0.21 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2wya h GLN 328 CO -0.02 -0.03 -0.06 1.79 -0.67 0.00 0.00 178.83 179.84 2wya h THR 329 N -0.05 1.25 -0.03 -0.54 1.35 -1.09 -1.42 112.91 112.38 2wya h THR 329 Ca 0.08 -1.10 -0.10 0.00 -0.55 0.00 0.00 66.41 64.74 2wya h THR 329 Cb 0.17 0.96 0.01 0.00 -1.73 0.00 0.00 68.15 67.55 2wya h THR 329 CO -0.18 0.38 -0.39 0.77 -0.25 0.00 0.00 175.52 175.86 2wya h SER 330 N 0.74 0.39 0.00 5.36 4.64 -1.00 -3.38 113.55 120.28 2wya h SER 330 Ca 0.13 -0.73 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 2wya h SER 330 Cb 0.53 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2wya h SER 330 CO 0.03 1.06 -1.26 0.18 -0.87 0.00 0.00 176.83 175.96 2wya n LEU 331 N -4.38 0.29 -2.47 5.97 4.77 -0.01 -4.67 117.00 116.50 2wya n LEU 331 Ca -0.09 -0.21 -0.16 0.00 -0.03 0.00 0.00 56.01 55.51 2wya n LEU 331 Cb 0.56 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.67 2wya n LEU 331 CO 0.43 0.07 0.08 -1.22 -1.33 0.00 0.00 177.39 175.41 2wya n TYR 332 N -1.73 2.27 -0.36 -1.77 4.01 -0.54 -4.90 117.16 114.14 2wya n TYR 332 Ca -0.00 -2.59 0.07 0.00 -0.16 0.00 0.00 57.90 55.22 2wya n TYR 332 Cb 0.32 -0.25 0.25 0.00 -0.31 0.00 0.00 39.34 39.35 2wya n TYR 332 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2wya h LYS 333 N 2.57 0.96 0.00 -0.72 6.56 -1.74 0.43 116.57 124.63 2wya h LYS 333 Ca 0.14 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 2wya h LYS 333 Cb 1.22 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 32.67 2wya h LYS 333 CO 0.60 0.64 0.00 0.41 -2.06 0.00 0.00 179.45 179.04 2wya n GLY 334 N -1.36 -0.98 0.10 3.86 0.00 -1.26 -2.89 105.19 102.67 2wya n GLY 334 Ca 0.19 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.21 2wya n GLY 334 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wya n LEU 335 N -1.44 0.88 0.04 0.99 4.77 0.13 -4.62 117.00 117.74 2wya n LEU 335 Ca 0.05 -0.58 0.12 0.00 -0.03 0.00 0.00 56.01 55.56 2wya n LEU 335 Cb 0.17 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 41.83 2wya n LEU 335 CO 0.14 0.19 1.15 -0.33 -1.33 0.00 0.00 177.39 177.22 2wya h GLU 336 N 0.47 0.22 0.00 3.23 5.08 -1.37 0.64 114.58 122.85 2wya h GLU 336 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2wya h GLU 336 Cb 0.36 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2wya h GLU 336 CO 0.00 0.15 0.00 0.00 -1.00 0.00 0.00 179.01 178.16 2wya n ALA 337 N -2.55 1.15 -0.60 3.43 0.00 -1.26 -2.19 120.51 118.49 2wya n ALA 337 Ca 0.05 0.15 0.06 0.00 0.00 0.00 0.00 53.44 53.70 2wya n ALA 337 Cb 0.30 -1.28 0.10 0.00 0.00 0.00 0.00 19.45 18.57 2wya n ALA 337 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wya n PHE 338 N -2.13 0.10 0.33 0.00 3.72 0.21 -4.76 117.46 114.92 2wya n PHE 338 Ca -0.01 -0.77 0.21 0.00 -0.05 0.00 0.00 57.45 56.84 2wya n PHE 338 Cb 0.06 -0.12 1.14 0.00 -0.94 0.00 0.00 39.48 39.63 2wya n PHE 338 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2wya h GLY 339 N 0.25 0.00 -2.44 1.37 0.00 -1.43 -1.85 103.07 98.97 2wya h GLY 339 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wya h GLY 339 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.17 2wya n GLY 340 N -1.11 1.94 3.98 4.60 0.00 -1.26 -4.98 105.19 108.35 2wya n GLY 340 Ca -0.03 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 2wya n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wya s LEU 341 N -1.37 3.16 0.21 0.99 1.43 -0.70 -5.11 118.68 117.29 2wya s LEU 341 Ca 0.42 -0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.44 2wya s LEU 341 Cb 0.24 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 2wya s LEU 341 CO 0.32 -1.39 0.13 -0.54 0.23 0.00 0.00 176.35 175.11 2wya s LYS 342 N -4.89 2.80 0.23 1.70 -0.14 -1.26 -5.02 119.74 113.16 2wya s LYS 342 Ca 0.60 -1.02 -0.07 0.00 -1.36 0.00 0.00 55.97 54.12 2wya s LYS 342 Cb -0.09 -2.53 0.39 0.00 -1.68 0.00 0.00 37.83 33.92 2wya s LYS 342 CO 0.40 0.44 1.70 -0.07 -0.76 0.00 0.00 175.35 177.06 2wya h LEU 343 N 2.01 0.04 -2.38 3.17 3.38 -1.99 -0.54 115.31 119.00 2wya h LEU 343 Ca -0.48 0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.65 2wya h LEU 343 Cb 1.22 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 2wya h LEU 343 CO 0.61 0.00 0.17 -0.33 0.09 0.00 0.00 178.44 178.98 2wya h GLU 344 N 0.29 0.00 0.00 1.13 3.07 -1.98 -2.19 114.58 114.89 2wya h GLU 344 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 2wya h GLU 344 Cb 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 2wya h GLU 344 CO -0.45 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 176.91 2wya n ASP 345 N -3.45 0.60 0.29 1.42 8.00 -0.21 -2.56 116.55 120.64 2wya n ASP 345 Ca -0.00 0.64 0.19 0.00 0.71 0.00 0.00 54.79 56.33 2wya n ASP 345 Cb 0.26 -0.77 0.97 0.00 -0.02 0.00 0.00 41.12 41.55 2wya n ASP 345 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2wya h THR 346 N 0.00 0.00 0.00 -3.53 1.35 -1.54 0.13 112.91 109.31 2wya h THR 346 Ca 0.00 -0.14 -0.12 0.00 -0.55 0.00 0.00 66.41 65.61 2wya h THR 346 Cb 0.37 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.82 2wya h THR 346 CO 0.00 0.00 -1.42 -1.22 -0.25 0.00 0.00 175.52 172.63 2wya n TYR 347 N -2.92 0.82 -0.03 4.73 4.02 -1.06 -4.43 117.16 118.30 2wya n TYR 347 Ca -0.02 0.26 -0.01 0.00 -0.01 0.00 0.00 57.90 58.13 2wya n TYR 347 Cb 0.13 -0.99 -0.08 0.00 -0.02 0.00 0.00 39.34 38.38 2wya n TYR 347 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2wya n THR 348 N -2.76 0.40 -3.34 -0.72 -2.24 -0.83 -4.94 114.28 99.86 2wya n THR 348 Ca -0.08 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 60.94 2wya n THR 348 Cb 0.75 -0.34 -0.09 0.00 -2.10 0.00 0.00 70.33 68.55 2wya n THR 348 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2wya s ASN 349 N -3.81 6.21 0.16 3.42 3.84 0.38 -4.96 114.94 120.18 2wya s ASN 349 Ca -0.04 -0.38 -0.05 0.00 0.21 0.00 0.00 52.86 52.59 2wya s ASN 349 Cb 0.04 -2.22 0.02 0.00 -0.55 0.00 0.00 41.25 38.54 2wya s ASN 349 CO 0.42 -0.46 1.42 0.11 -2.79 0.00 0.00 177.10 175.80 2wya h LYS 350 N 8.58 0.57 -0.61 0.43 6.56 -1.91 -0.43 116.57 129.77 2wya h LYS 350 Ca -0.28 -0.43 -0.03 0.00 -1.06 0.00 0.00 60.65 58.86 2wya h LYS 350 Cb 1.13 0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 32.83 2wya h LYS 350 CO 0.75 1.05 0.28 -0.44 -2.06 0.00 0.00 179.45 179.03 2wya h ASP 351 N 0.41 0.81 -0.13 0.86 3.32 -1.97 -1.03 116.42 118.68 2wya h ASP 351 Ca -0.02 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 2wya h ASP 351 Cb 1.26 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 2wya h ASP 351 CO 0.13 0.72 0.01 0.25 -1.72 0.00 0.00 179.24 178.63 2wya h LEU 352 N 0.84 0.21 -0.38 1.55 5.85 -1.88 -1.16 115.31 120.34 2wya h LEU 352 Ca 0.21 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.71 2wya h LEU 352 Cb 0.14 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 2wya h LEU 352 CO -0.02 0.44 0.01 -0.78 -0.34 0.00 0.00 178.44 177.75 2wya h ASP 353 N -0.03 -0.13 -0.55 1.25 3.58 -0.97 0.01 116.42 119.58 2wya h ASP 353 Ca 0.04 0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.52 2wya h ASP 353 Cb 0.33 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 2wya h ASP 353 CO 0.00 -0.03 0.16 0.11 -2.88 0.00 0.00 179.24 176.60 2wya h LYS 354 N 0.11 0.86 -0.68 0.28 6.56 -1.14 -1.10 116.57 121.46 2wya h LYS 354 Ca 0.18 -0.19 -0.05 0.00 -1.06 0.00 0.00 60.65 59.53 2wya h LYS 354 Cb 0.25 -0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 31.76 2wya h LYS 354 CO -0.30 0.80 0.21 0.00 -2.06 0.00 0.00 179.45 178.10 2wya h ALA 355 N 1.03 1.09 -0.35 3.86 0.00 -0.79 -1.72 119.26 122.36 2wya h ALA 355 Ca 0.18 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 2wya h ALA 355 Cb 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2wya h ALA 355 CO -0.00 0.62 -0.36 -0.07 0.00 0.00 0.00 179.25 179.44 2wya h LEU 356 N 1.01 0.93 -0.61 0.00 3.38 -0.75 0.27 115.31 119.53 2wya h LEU 356 Ca 0.22 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 2wya h LEU 356 Cb 0.29 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2wya h LEU 356 CO -0.01 1.21 0.30 -0.07 0.09 0.00 0.00 178.44 179.96 2wya h LEU 357 N 0.66 0.80 -0.11 1.67 3.38 -1.06 -0.33 115.31 120.32 2wya h LEU 357 Ca 0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2wya h LEU 357 Cb 0.95 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2wya h LEU 357 CO 0.09 0.70 0.03 0.50 0.09 0.00 0.00 178.44 179.85 2wya h LYS 358 N 0.84 0.16 -0.06 1.13 3.64 -1.23 -2.02 116.57 119.04 2wya h LYS 358 Ca 0.21 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 2wya h LYS 358 Cb 0.11 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2wya h LYS 358 CO -0.03 0.31 -0.20 0.00 -2.27 0.00 0.00 179.45 177.26 2wya h ALA 359 N 0.85 1.57 -0.25 5.00 0.00 -0.77 -2.91 119.26 122.75 2wya h ALA 359 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2wya h ALA 359 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2wya h ALA 359 CO -0.00 0.32 0.00 -1.13 0.00 0.00 0.00 179.25 178.44 2wya n SER 360 N -4.26 3.27 -0.16 0.00 3.41 -0.15 -4.58 113.62 111.14 2wya n SER 360 Ca -0.02 -1.99 -0.06 0.00 -0.26 0.00 0.00 58.87 56.54 2wya n SER 360 Cb 0.28 -0.16 0.03 0.00 -0.26 0.00 0.00 64.21 64.11 2wya n SER 360 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2wya h GLN 361 N 4.54 0.56 -0.33 4.33 5.75 -1.15 0.87 115.11 129.68 2wya h GLN 361 Ca 0.00 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 2wya h GLN 361 Cb 0.99 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.39 2wya h GLN 361 CO 0.00 0.37 0.14 0.22 -2.65 0.00 0.00 178.83 176.91 2wya h ASP 362 N 0.58 0.44 -0.84 -0.69 3.58 -1.81 -0.25 116.42 117.44 2wya h ASP 362 Ca 0.19 -0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 2wya h ASP 362 Cb 0.01 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 40.91 2wya h ASP 362 CO -0.08 0.47 0.39 0.24 -2.88 0.00 0.00 179.24 177.38 2wya h MET 363 N 0.39 1.22 -0.19 0.28 2.86 -1.77 -1.21 114.93 116.50 2wya h MET 363 Ca 0.11 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2wya h MET 363 Cb 0.16 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2wya h MET 363 CO -0.01 0.95 0.12 0.35 1.06 0.00 0.00 176.91 179.38 2wya h PHE 364 N 1.21 0.25 -0.90 -0.22 3.57 -0.52 0.16 116.94 120.48 2wya h PHE 364 Ca 0.29 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.81 2wya h PHE 364 Cb 0.15 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 2wya h PHE 364 CO 0.02 0.19 0.59 -0.44 -2.23 0.00 0.00 178.31 176.44 2wya h ASP 365 N 0.23 1.00 0.28 0.41 3.32 -0.74 0.71 116.42 121.64 2wya h ASP 365 Ca 0.07 -0.02 -0.34 0.00 0.02 0.00 0.00 57.03 56.76 2wya h ASP 365 Cb 0.02 -0.24 0.02 0.00 0.22 0.00 0.00 39.33 39.35 2wya h ASP 365 CO -0.01 0.71 -1.57 0.11 -1.72 0.00 0.00 179.24 176.75 2wya h LYS 366 N 1.17 0.45 0.00 3.56 1.57 -0.96 -3.38 116.57 118.98 2wya h LYS 366 Ca 0.34 -0.76 -0.15 0.00 -1.87 0.00 0.00 60.65 58.21 2wya h LYS 366 Cb -0.06 0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 2wya h LYS 366 CO -0.09 1.36 -2.08 1.63 -0.57 0.00 0.00 179.45 179.70 2wya n LYS 367 N -3.64 0.76 0.00 3.15 5.02 0.54 -4.83 118.16 119.16 2wya n LYS 367 Ca -0.19 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 2wya n LYS 367 Cb 1.09 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.62 2wya n LYS 367 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2wya n THR 368 N -2.42 0.00 -0.13 -0.18 -1.04 -0.64 -1.34 114.28 108.53 2wya n THR 368 Ca -0.15 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.81 2wya n THR 368 Cb 0.78 -0.33 0.04 0.00 -1.82 0.00 0.00 70.33 69.00 2wya n THR 368 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2wya h LYS 369 N 0.00 0.25 -0.20 -2.82 3.64 -1.08 -1.58 116.57 114.77 2wya h LYS 369 Ca 0.00 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2wya h LYS 369 Cb 0.41 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2wya h LYS 369 CO 0.00 0.16 0.12 0.00 -2.27 0.00 0.00 179.45 177.46 2wya h ALA 370 N 1.30 1.84 0.00 5.00 0.00 -1.85 -1.55 119.26 124.00 2wya h ALA 370 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2wya h ALA 370 Cb 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2wya h ALA 370 CO -0.24 0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.03 2wya n SER 371 N -4.50 0.00 -0.77 0.00 3.41 -0.60 -2.77 113.62 108.40 2wya n SER 371 Ca -0.00 0.44 0.12 0.00 -0.26 0.00 0.00 58.87 59.17 2wya n SER 371 Cb 0.08 -0.47 0.31 0.00 -0.26 0.00 0.00 64.21 63.88 2wya n SER 371 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wya n LEU 372 N -1.47 2.34 0.19 1.04 4.77 -0.58 -4.29 117.00 119.00 2wya n LEU 372 Ca 0.04 -0.90 -0.15 0.00 -0.03 0.00 0.00 56.01 54.97 2wya n LEU 372 Cb 0.16 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 2wya n LEU 372 CO 0.13 0.45 0.75 0.22 -1.33 0.00 0.00 177.39 177.61 2wya h TYR 373 N 3.33 -0.47 -0.59 -1.77 3.20 -1.68 -0.10 116.97 118.89 2wya h TYR 373 Ca 0.00 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.89 2wya h TYR 373 Cb 0.72 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 2wya h TYR 373 CO 0.09 -0.28 0.36 1.25 -1.64 0.00 0.00 178.16 177.93 2wya h LEU 374 N -0.47 0.58 -0.62 2.82 5.85 -1.85 -2.30 115.31 119.33 2wya h LEU 374 Ca -0.03 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2wya h LEU 374 Cb 0.38 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2wya h LEU 374 CO 0.04 0.41 0.41 0.28 -0.34 0.00 0.00 178.44 179.23 2wya h SER 375 N 0.71 0.70 0.75 1.25 0.02 -1.74 0.26 113.55 115.50 2wya h SER 375 Ca 0.24 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 2wya h SER 375 Cb 0.03 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2wya h SER 375 CO -0.10 0.50 -0.22 0.00 -1.14 0.00 0.00 176.83 175.87 2wya h THR 376 N 0.83 0.61 -0.00 -2.27 1.03 -0.78 0.14 112.91 112.47 2wya h THR 376 Ca 0.23 -1.02 0.00 0.00 -0.01 0.00 0.00 66.41 65.61 2wya h THR 376 Cb -0.08 1.68 0.00 0.00 -1.07 0.00 0.00 68.15 68.68 2wya h THR 376 CO -0.06 0.22 -0.77 1.41 -0.01 0.00 0.00 175.52 176.30 2wya n HIS 377 N -3.48 0.00 0.00 0.00 -0.00 -0.67 -0.53 115.22 110.54 2wya n HIS 377 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2wya n HIS 377 Cb 0.39 -0.08 0.00 0.00 -0.00 0.00 0.00 29.99 30.30 2wya n HIS 377 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 2wya n ASN 378 N -1.36 2.25 0.00 0.41 5.15 0.83 -4.20 115.26 118.34 2wya n ASN 378 Ca 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 2wya n ASN 378 Cb 0.34 0.28 0.00 0.00 -0.53 0.00 0.00 39.78 39.88 2wya n ASN 378 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wya n GLY 379 N 1.49 -1.80 3.59 8.20 0.00 0.48 -0.75 105.19 116.40 2wya n GLY 379 Ca 0.00 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 2wya n GLY 379 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wya s ASN 380 N -4.00 6.63 -0.42 1.61 3.84 -0.57 -4.66 114.94 117.38 2wya s ASN 380 Ca 0.00 0.44 0.05 0.00 0.21 0.00 0.00 52.86 53.56 2wya s ASN 380 Cb 0.00 -2.47 0.55 0.00 -0.55 0.00 0.00 41.25 38.78 2wya s ASN 380 CO 0.00 -0.96 1.71 1.15 -2.79 0.00 0.00 177.10 176.21 2wya n MET 381 N 7.00 2.28 0.00 0.43 0.00 -1.26 -2.31 117.12 123.26 2wya n MET 381 Ca 0.07 -3.23 0.00 0.00 0.00 0.00 0.00 57.70 54.54 2wya n MET 381 Cb 0.48 -2.07 0.00 0.00 0.00 0.00 0.00 33.22 31.63 2wya n MET 381 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2wya n TYR 382 N -1.07 0.00 0.06 3.17 4.01 -1.26 -2.56 117.16 119.52 2wya n TYR 382 Ca 0.49 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.34 2wya n TYR 382 Cb 1.20 0.00 0.58 0.00 -0.31 0.00 0.00 39.34 40.81 2wya n TYR 382 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 2wya h THR 383 N 0.00 0.92 -0.22 -0.72 1.35 -1.82 -0.86 112.91 111.56 2wya h THR 383 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 2wya h THR 383 Cb 0.00 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 67.13 2wya h THR 383 CO 0.00 0.04 0.00 -1.54 -0.25 0.00 0.00 175.52 173.77 2wya n SER 384 N -4.47 2.20 0.11 5.36 3.41 -1.06 -4.38 113.62 114.78 2wya n SER 384 Ca 0.05 -1.80 -0.13 0.00 -0.26 0.00 0.00 58.87 56.72 2wya n SER 384 Cb 0.29 -0.14 -0.07 0.00 -0.26 0.00 0.00 64.21 64.02 2wya n SER 384 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2wya h SER 385 N 2.91 -0.16 -0.91 4.04 0.87 -1.27 0.83 113.55 119.85 2wya h SER 385 Ca 0.00 -0.01 0.08 0.00 -1.23 0.00 0.00 61.79 60.63 2wya h SER 385 Cb 0.64 0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.57 2wya h SER 385 CO 0.00 -0.10 0.57 0.25 -0.53 0.00 0.00 176.83 177.02 2wya h LEU 386 N -0.21 0.87 -0.50 2.23 5.85 -1.76 -1.66 115.31 120.13 2wya h LEU 386 Ca -0.02 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2wya h LEU 386 Cb 0.16 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2wya h LEU 386 CO 0.03 0.54 -0.36 1.88 -0.34 0.00 0.00 178.44 180.19 2wya h TYR 387 N 1.00 0.00 -0.14 1.25 -1.99 -1.70 -1.59 116.97 113.79 2wya h TYR 387 Ca 0.41 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 61.04 2wya h TYR 387 Cb 0.25 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.97 2wya h TYR 387 CO -0.03 0.36 -0.35 0.78 -0.00 0.00 0.00 178.16 178.92 2wya h GLY 388 N 2.86 0.31 1.39 3.88 0.00 -0.15 -1.33 103.07 110.03 2wya h GLY 388 Ca -0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 2wya h GLY 388 CO 0.05 0.25 -0.41 0.00 0.00 0.00 0.00 176.54 176.43 2wya h LEU 390 N 0.55 0.74 -0.79 0.00 5.85 -1.05 -0.51 115.31 120.09 2wya h LEU 390 Ca 0.04 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.66 2wya h LEU 390 Cb 0.94 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 2wya h LEU 390 CO 0.08 0.64 0.52 0.00 -0.34 0.00 0.00 178.44 179.34 2wya h ALA 391 N 1.13 1.00 -0.69 1.25 0.00 -1.00 -1.35 119.26 119.60 2wya h ALA 391 Ca 0.20 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2wya h ALA 391 Cb 0.08 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2wya h ALA 391 CO -0.03 0.42 0.16 0.77 0.00 0.00 0.00 179.25 180.57 2wya h SER 392 N 1.08 1.05 -0.06 0.00 0.02 -0.70 -0.51 113.55 114.43 2wya h SER 392 Ca 0.29 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2wya h SER 392 Cb -0.12 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.13 2wya h SER 392 CO -0.06 1.02 -0.01 0.25 -1.14 0.00 0.00 176.83 176.88 2wya h LEU 393 N 1.05 -0.05 -1.44 5.07 5.85 -0.69 -2.24 115.31 122.87 2wya h LEU 393 Ca 0.22 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 2wya h LEU 393 Cb 0.38 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2wya h LEU 393 CO 0.00 -0.02 0.13 -0.07 -0.34 0.00 0.00 178.44 178.15 2wya h LEU 394 N 0.00 0.46 -0.79 2.25 3.38 -1.01 -2.60 115.31 117.00 2wya h LEU 394 Ca 0.03 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2wya h LEU 394 Cb 0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2wya h LEU 394 CO -0.06 0.43 -0.49 0.77 0.09 0.00 0.00 178.44 179.18 2wya h SER 395 N 0.51 0.00 0.38 -0.43 4.64 -0.71 -3.29 113.55 114.65 2wya h SER 395 Ca 0.12 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.13 2wya h SER 395 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2wya h SER 395 CO -0.01 0.49 -1.61 -0.74 -0.87 0.00 0.00 176.83 174.09 2wya h HIS 396 N 0.00 0.48 -2.87 4.77 -0.00 -1.04 -3.43 115.15 113.05 2wya h HIS 396 Ca -0.00 -0.35 -0.60 0.00 -0.00 0.00 0.00 60.37 59.42 2wya h HIS 396 Cb 1.03 -0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 28.36 2wya h HIS 396 CO 0.00 1.44 -0.54 -1.01 -0.00 0.00 0.00 177.93 177.83 2wya s HIS 397 N -2.60 3.34 0.66 5.26 3.76 -1.05 -5.10 115.29 119.55 2wya s HIS 397 Ca -0.11 0.11 -0.11 0.00 -0.15 0.00 0.00 55.06 54.81 2wya s HIS 397 Cb 0.07 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 32.10 2wya s HIS 397 CO 0.85 0.54 1.05 -1.54 -0.85 0.00 0.00 174.74 174.79 2wya s SER 398 N -2.76 5.79 0.24 1.40 1.04 -1.26 -4.86 113.70 113.29 2wya s SER 398 Ca 0.32 1.43 -0.06 0.00 0.48 0.00 0.00 55.95 58.12 2wya s SER 398 Cb -0.12 -2.38 0.31 0.00 0.10 0.00 0.00 66.02 63.94 2wya s SER 398 CO 0.25 -1.15 1.87 0.00 0.98 0.00 0.00 173.24 175.19 2wya h ALA 399 N -0.52 1.20 -0.71 5.32 0.00 -1.90 -2.13 119.26 120.51 2wya h ALA 399 Ca -0.44 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2wya h ALA 399 Cb 1.21 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2wya h ALA 399 CO 0.61 0.37 0.38 0.37 0.00 0.00 0.00 179.25 180.97 2wya h GLN 400 N 1.06 0.99 -0.54 0.00 5.75 -1.93 -0.27 115.11 120.17 2wya h GLN 400 Ca 0.37 -0.11 -0.10 0.00 -0.15 0.00 0.00 58.65 58.66 2wya h GLN 400 Cb 0.09 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 2wya h GLN 400 CO -0.15 0.73 -0.06 0.93 -2.65 0.00 0.00 178.83 177.63 2wya h GLU 401 N 0.99 0.96 0.00 1.69 5.08 -1.79 -3.18 114.58 118.34 2wya h GLU 401 Ca 0.25 -0.32 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 2wya h GLU 401 Cb 0.04 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2wya h GLU 401 CO -0.04 0.98 -0.50 -0.07 -1.00 0.00 0.00 179.01 178.39 2wya h LEU 402 N 0.87 0.00 -9.30 1.33 3.38 -0.96 -3.47 115.31 107.16 2wya h LEU 402 Ca 0.15 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.45 2wya h LEU 402 Cb 0.59 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.39 2wya h LEU 402 CO 0.04 0.47 0.57 0.00 0.09 0.00 0.00 178.44 179.61 2wya n ALA 403 N -2.22 -0.43 -0.97 1.53 0.00 -0.15 -1.59 120.51 116.67 2wya n ALA 403 Ca 0.02 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2wya n ALA 403 Cb 0.73 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 18.03 2wya n ALA 403 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wya n GLY 404 N 2.89 0.90 3.92 0.00 0.00 -0.39 -4.89 105.19 107.62 2wya n GLY 404 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 2wya n GLY 404 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wya s SER 405 N -2.87 5.06 -0.18 1.61 1.04 -0.62 -4.68 113.70 113.06 2wya s SER 405 Ca 0.00 0.64 -0.05 0.00 0.48 0.00 0.00 55.95 57.03 2wya s SER 405 Cb 0.00 -1.38 -0.03 0.00 0.10 0.00 0.00 66.02 64.71 2wya s SER 405 CO 0.00 -1.46 -0.01 -0.60 0.98 0.00 0.00 173.24 172.15 2wya s ARG 406 N -5.23 3.68 -0.30 4.02 3.52 -1.26 -0.83 118.95 122.54 2wya s ARG 406 Ca 0.58 -0.50 -0.07 0.00 -0.13 0.00 0.00 55.73 55.61 2wya s ARG 406 Cb -0.11 -3.01 0.01 0.00 -1.56 0.00 0.00 34.95 30.28 2wya s ARG 406 CO 0.46 0.15 0.09 0.42 -0.81 0.00 0.00 175.30 175.61 2wya s ILE 407 N 0.63 3.96 0.38 4.11 1.01 -0.40 -1.19 121.20 129.71 2wya s ILE 407 Ca -0.01 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.73 2wya s ILE 407 Cb -0.14 -3.08 -0.09 0.00 0.01 0.00 0.00 42.46 39.16 2wya s ILE 407 CO 0.02 0.03 0.81 -0.83 0.00 0.00 0.00 174.94 174.97 2wya s GLY 408 N 1.49 2.22 -0.05 6.18 0.00 0.14 -0.96 107.32 116.34 2wya s GLY 408 Ca 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 44.72 44.78 2wya s GLY 408 CO 0.03 0.29 0.10 0.00 0.00 0.00 0.00 173.10 173.52 2wya s ALA 409 N -2.18 -0.16 -0.18 3.20 0.00 0.30 -0.94 121.76 121.79 2wya s ALA 409 Ca 0.55 0.51 0.00 0.00 0.00 0.00 0.00 51.96 53.03 2wya s ALA 409 Cb -0.10 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.68 2wya s ALA 409 CO 0.21 -0.13 -0.18 0.12 0.00 0.00 0.00 175.76 175.79 2wya s PHE 410 N 0.98 2.80 -0.13 0.00 5.36 -0.18 -0.97 117.98 125.84 2wya s PHE 410 Ca -0.08 -1.49 -0.01 0.00 -0.96 0.00 0.00 56.93 54.39 2wya s PHE 410 Cb -0.10 -1.94 -0.02 0.00 -0.34 0.00 0.00 43.02 40.62 2wya s PHE 410 CO -0.04 -0.74 -0.09 0.45 -1.46 0.00 0.00 175.22 173.34 2wya s SER 411 N 1.26 4.38 0.02 6.13 0.15 0.03 -0.95 113.70 124.72 2wya s SER 411 Ca 0.04 -0.22 0.05 0.00 0.70 0.00 0.00 55.95 56.52 2wya s SER 411 Cb -0.13 -1.61 -0.02 0.00 -1.71 0.00 0.00 66.02 62.55 2wya s SER 411 CO -0.10 0.19 -0.15 -0.47 1.20 0.00 0.00 173.24 173.91 2wya s TYR 412 N 0.20 1.33 -0.03 3.44 5.04 -1.26 -1.26 117.35 124.81 2wya s TYR 412 Ca -0.05 -0.31 0.01 0.00 -2.44 0.00 0.00 57.07 54.27 2wya s TYR 412 Cb -0.15 -0.81 0.02 0.00 0.35 0.00 0.00 41.96 41.37 2wya s TYR 412 CO 0.04 0.02 -0.02 0.20 -1.34 0.00 0.00 175.55 174.45 2wya s GLY 413 N -0.84 0.30 0.71 8.97 0.00 0.36 -3.64 107.32 113.19 2wya s GLY 413 Ca 0.04 0.04 -0.16 0.00 0.00 0.00 0.00 44.72 44.64 2wya s GLY 413 CO 0.01 0.41 1.01 1.44 0.00 0.00 0.00 173.10 175.97 2wya n SER 414 N 3.90 0.68 0.00 1.64 7.64 -1.26 -0.96 113.62 125.27 2wya n SER 414 Ca -0.24 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.32 2wya n SER 414 Cb 0.52 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 2wya n SER 414 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wya n GLY 415 N 1.06 0.69 3.10 0.23 0.00 -1.26 -4.44 105.19 104.57 2wya n GLY 415 Ca 0.13 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2wya n GLY 415 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wya s LEU 416 N 0.00 2.43 -0.02 0.99 0.05 0.30 -1.00 118.68 121.43 2wya s LEU 416 Ca 0.00 -0.86 0.01 0.00 0.05 0.00 0.00 54.13 53.33 2wya s LEU 416 Cb 0.00 0.03 0.01 0.00 -2.05 0.00 0.00 46.19 44.18 2wya s LEU 416 CO 0.00 -0.45 -0.02 0.00 -0.55 0.00 0.00 176.35 175.33 2wya s ALA 417 N -3.08 0.32 -0.03 1.48 0.00 -0.13 -2.38 121.76 117.94 2wya s ALA 417 Ca 0.03 -0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.79 2wya s ALA 417 Cb 0.02 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.98 2wya s ALA 417 CO -0.05 0.01 0.37 0.00 0.00 0.00 0.00 175.76 176.10 2wya s ALA 418 N 0.39 -0.95 -0.05 0.00 0.00 -0.44 -0.49 121.76 120.22 2wya s ALA 418 Ca -0.04 0.52 -0.05 0.00 0.00 0.00 0.00 51.96 52.39 2wya s ALA 418 Cb -0.07 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.10 2wya s ALA 418 CO -0.01 -0.28 0.14 -1.12 0.00 0.00 0.00 175.76 174.50 2wya s SER 419 N -1.24 -0.14 -0.18 0.00 0.01 -0.38 -1.09 113.70 110.68 2wya s SER 419 Ca -0.13 0.25 -0.04 0.00 1.31 0.00 0.00 55.95 57.35 2wya s SER 419 Cb -0.04 0.29 -0.02 0.00 0.21 0.00 0.00 66.02 66.46 2wya s SER 419 CO 0.05 -0.07 -0.04 0.12 0.41 0.00 0.00 173.24 173.71 2wya s PHE 420 N -0.03 2.98 0.15 2.43 5.36 0.36 -0.79 117.98 128.44 2wya s PHE 420 Ca -0.01 -0.54 0.00 0.00 -0.96 0.00 0.00 56.93 55.42 2wya s PHE 420 Cb -0.02 -2.01 -0.00 0.00 -0.34 0.00 0.00 43.02 40.65 2wya s PHE 420 CO 0.00 -0.24 0.20 1.97 -1.46 0.00 0.00 175.22 175.69 2wya n PHE 421 N 4.03 -0.76 -3.65 10.12 1.16 -0.14 -0.52 117.46 127.71 2wya n PHE 421 Ca -0.18 -1.08 -0.10 0.00 -1.87 0.00 0.00 57.45 54.22 2wya n PHE 421 Cb 0.52 0.22 -0.05 0.00 -1.61 0.00 0.00 39.48 38.56 2wya n PHE 421 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 2wya s SER 422 N -1.97 -0.21 0.06 5.98 1.04 -1.26 -0.54 113.70 116.79 2wya s SER 422 Ca 0.14 -0.34 0.08 0.00 0.48 0.00 0.00 55.95 56.31 2wya s SER 422 Cb -0.00 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 2wya s SER 422 CO 0.10 -0.85 -0.20 -0.36 0.98 0.00 0.00 173.24 172.91 2wya s PHE 423 N -3.81 2.50 -0.21 5.02 0.08 -0.13 -1.05 117.98 120.39 2wya s PHE 423 Ca 0.03 -0.29 -0.06 0.00 0.12 0.00 0.00 56.93 56.73 2wya s PHE 423 Cb 0.02 -1.42 -0.03 0.00 -0.57 0.00 0.00 43.02 41.02 2wya s PHE 423 CO -0.12 0.26 0.03 0.50 -0.10 0.00 0.00 175.22 175.79 2wya s ARG 424 N -1.55 3.73 0.10 0.44 6.06 0.66 -1.28 118.95 127.12 2wya s ARG 424 Ca 0.15 -0.46 -0.25 0.00 -2.50 0.00 0.00 55.73 52.66 2wya s ARG 424 Cb -0.10 -3.17 -0.07 0.00 0.06 0.00 0.00 34.95 31.67 2wya s ARG 424 CO 0.05 0.04 0.78 0.08 -2.50 0.00 0.00 175.30 173.76 2wya s VAL 425 N 0.96 4.56 0.57 7.11 1.01 -0.01 -1.49 120.40 133.11 2wya s VAL 425 Ca 0.03 1.69 -0.18 0.00 0.00 0.00 0.00 61.98 63.51 2wya s VAL 425 Cb -0.14 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.03 2wya s VAL 425 CO 0.02 0.43 0.68 -0.24 0.00 0.00 0.00 175.10 176.00 2wya n SER 426 N 2.29 -0.37 0.19 3.32 2.88 0.26 -1.93 113.62 120.26 2wya n SER 426 Ca -0.04 0.77 0.13 0.00 -1.33 0.00 0.00 58.87 58.41 2wya n SER 426 Cb 0.49 -1.25 0.38 0.00 -0.75 0.00 0.00 64.21 63.09 2wya n SER 426 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2wya h GLN 427 N 0.38 0.00 -6.12 -1.46 1.08 -1.92 -1.02 115.11 106.05 2wya h GLN 427 Ca -0.46 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.13 2wya h GLN 427 Cb 1.39 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 28.71 2wya h GLN 427 CO 0.49 0.00 0.57 0.34 -0.95 0.00 0.00 178.83 179.27 2wya s ASP 428 N -5.38 6.48 -0.09 1.46 2.15 -1.26 -4.76 116.67 115.28 2wya s ASP 428 Ca 0.06 0.08 0.13 0.00 0.43 0.00 0.00 52.55 53.26 2wya s ASP 428 Cb 0.08 -2.45 0.21 0.00 -0.30 0.00 0.00 42.92 40.47 2wya s ASP 428 CO 0.59 -1.05 1.12 0.00 -0.17 0.00 0.00 175.17 175.65 2wya n ALA 429 N 7.15 2.20 -1.45 3.66 0.00 -1.26 -4.40 120.51 126.42 2wya n ALA 429 Ca 0.06 -2.15 -0.35 0.00 0.00 0.00 0.00 53.44 51.01 2wya n ALA 429 Cb 0.48 -0.28 0.08 0.00 0.00 0.00 0.00 19.45 19.73 2wya n ALA 429 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wya s ALA 430 N -2.33 2.22 0.23 0.00 0.00 -1.26 -4.61 121.76 116.01 2wya s ALA 430 Ca 0.23 0.89 -0.32 0.00 0.00 0.00 0.00 51.96 52.77 2wya s ALA 430 Cb 0.20 -3.46 -0.13 0.00 0.00 0.00 0.00 23.12 19.73 2wya s ALA 430 CO 0.02 -1.72 1.46 -2.30 0.00 0.00 0.00 175.76 173.22 2wya n PRO 431 N -2.49 2.12 -0.29 0.00 -0.02 -1.26 -1.32 135.00 131.74 2wya n PRO 431 Ca 0.13 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 2wya n PRO 431 Cb 0.50 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2wya n PRO 431 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wya n GLY 432 N 2.42 1.65 3.74 -1.23 0.00 -1.26 -5.04 105.19 105.46 2wya n GLY 432 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2wya n GLY 432 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wya s SER 433 N -3.27 4.02 0.35 1.61 1.04 -0.43 -4.77 113.70 112.25 2wya s SER 433 Ca 0.00 1.89 0.07 0.00 0.48 0.00 0.00 55.95 58.40 2wya s SER 433 Cb 0.00 -2.51 0.76 0.00 0.10 0.00 0.00 66.02 64.37 2wya s SER 433 CO 0.00 -2.35 1.88 -0.65 0.98 0.00 0.00 173.24 173.10 2wya h PRO 434 N -1.35 0.73 -0.25 4.02 0.11 -1.88 -0.12 132.00 133.26 2wya h PRO 434 Ca -0.44 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 2wya h PRO 434 Cb 1.24 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2wya h PRO 434 CO 0.49 0.48 -0.16 1.25 -0.21 0.00 0.00 178.00 179.85 2wya h LEU 435 N 0.75 0.58 -0.65 2.35 5.85 -1.92 -1.60 115.31 120.68 2wya h LEU 435 Ca 0.42 -0.44 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2wya h LEU 435 Cb 0.59 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 2wya h LEU 435 CO -0.19 0.89 0.42 -0.78 -0.34 0.00 0.00 178.44 178.44 2wya h ASP 436 N 0.27 0.71 -0.47 1.25 3.58 -1.60 0.09 116.42 120.25 2wya h ASP 436 Ca 0.05 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2wya h ASP 436 Cb 0.69 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 2wya h ASP 436 CO 0.05 0.50 0.30 0.11 -2.88 0.00 0.00 179.24 177.32 2wya h LYS 437 N 0.84 0.64 -0.06 0.28 1.57 -0.95 0.35 116.57 119.24 2wya h LYS 437 Ca 0.25 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2wya h LYS 437 Cb -0.04 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 2wya h LYS 437 CO -0.08 0.44 0.02 1.25 -0.57 0.00 0.00 179.45 180.52 2wya h LEU 438 N 0.64 0.09 -0.07 2.94 5.85 -0.85 -1.95 115.31 121.94 2wya h LEU 438 Ca 0.17 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 2wya h LEU 438 Cb -0.04 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 2wya h LEU 438 CO -0.03 0.26 0.05 0.58 -0.34 0.00 0.00 178.44 178.95 2wya h VAL 439 N -0.09 1.05 -0.90 1.05 2.07 -0.90 -2.66 116.25 115.86 2wya h VAL 439 Ca 0.02 -0.12 0.13 0.00 0.82 0.00 0.00 66.70 67.55 2wya h VAL 439 Cb 0.20 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 2wya h VAL 439 CO -0.00 0.04 0.58 -1.28 0.02 0.00 0.00 177.57 176.93 2wya h SER 440 N 0.07 0.73 0.29 0.57 0.87 -0.89 -1.28 113.55 113.91 2wya h SER 440 Ca 0.03 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2wya h SER 440 Cb 0.03 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2wya h SER 440 CO -0.01 0.39 0.00 -1.54 -0.53 0.00 0.00 176.83 175.14 2wya n SER 441 N -4.56 0.50 -0.33 6.23 3.41 -0.74 -2.17 113.62 115.96 2wya n SER 441 Ca 0.17 0.68 0.07 0.00 -0.26 0.00 0.00 58.87 59.53 2wya n SER 441 Cb 0.41 -0.77 0.01 0.00 -0.26 0.00 0.00 64.21 63.59 2wya n SER 441 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wya n THR 442 N -2.12 0.00 0.25 6.66 -2.24 -0.49 -4.69 114.28 111.65 2wya n THR 442 Ca 0.00 -0.38 0.09 0.00 -2.27 0.00 0.00 64.05 61.50 2wya n THR 442 Cb 0.11 1.17 0.65 0.00 -2.10 0.00 0.00 70.33 70.16 2wya n THR 442 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wya h SER 443 N 1.64 0.00 -0.31 3.42 0.02 -1.38 -2.14 113.55 114.80 2wya h SER 443 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wya h SER 443 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2wya h SER 443 CO 0.00 0.11 0.00 -0.90 -1.14 0.00 0.00 176.83 174.90 2wya n ASP 444 N -4.11 1.96 -0.06 3.07 5.75 -1.26 -4.47 116.55 117.44 2wya n ASP 444 Ca -0.02 -2.08 -0.07 0.00 -0.01 0.00 0.00 54.79 52.61 2wya n ASP 444 Cb 0.19 -0.28 -0.01 0.00 -1.03 0.00 0.00 41.12 39.99 2wya n ASP 444 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2wya h LEU 445 N 1.85 -0.32 -1.08 -2.12 5.85 -1.74 0.04 115.31 117.79 2wya h LEU 445 Ca 0.00 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2wya h LEU 445 Cb 0.56 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 2wya h LEU 445 CO 0.04 -0.12 0.43 -0.65 -0.34 0.00 0.00 178.44 177.80 2wya h PRO 446 N -0.04 1.07 -0.75 5.25 0.11 -1.85 -0.54 132.00 135.24 2wya h PRO 446 Ca 0.13 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 2wya h PRO 446 Cb 0.24 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.10 2wya h PRO 446 CO -0.29 0.78 0.40 0.87 -0.21 0.00 0.00 178.00 179.55 2wya h LYS 447 N 1.08 1.05 -0.44 1.05 1.57 -1.69 -0.91 116.57 118.28 2wya h LYS 447 Ca 0.28 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 2wya h LYS 447 Cb 0.01 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 2wya h LYS 447 CO -0.05 0.79 0.17 0.00 -0.57 0.00 0.00 179.45 179.80 2wya h ARG 448 N 1.04 0.67 -0.92 3.15 3.08 -0.44 -2.13 114.38 118.84 2wya h ARG 448 Ca 0.26 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 60.20 2wya h ARG 448 Cb 0.05 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 2wya h ARG 448 CO -0.04 0.62 0.61 -0.07 -1.07 0.00 0.00 179.97 180.02 2wya h LEU 449 N 0.58 1.04 -1.82 3.04 3.38 -0.92 -2.35 115.31 118.25 2wya h LEU 449 Ca 0.15 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2wya h LEU 449 Cb 0.21 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2wya h LEU 449 CO -0.01 0.74 -0.05 0.00 0.09 0.00 0.00 178.44 179.21 2wya h ALA 450 N 1.35 1.05 -0.00 1.53 0.00 -0.77 -2.71 119.26 119.71 2wya h ALA 450 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2wya h ALA 450 Cb -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2wya h ALA 450 CO -0.09 0.06 -0.04 -1.13 0.00 0.00 0.00 179.25 178.06 2wya n SER 451 N -3.22 0.15 -4.78 0.00 3.41 -0.84 -4.85 113.62 103.50 2wya n SER 451 Ca -0.01 -0.39 -0.30 0.00 -0.26 0.00 0.00 58.87 57.91 2wya n SER 451 Cb 0.26 -0.18 0.09 0.00 -0.26 0.00 0.00 64.21 64.12 2wya n SER 451 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2wya s ARG 452 N -2.47 2.10 -0.18 4.33 0.52 -1.02 -5.04 118.95 117.18 2wya s ARG 452 Ca 0.31 0.83 -0.09 0.00 -0.52 0.00 0.00 55.73 56.26 2wya s ARG 452 Cb 0.20 -1.90 -0.05 0.00 0.52 0.00 0.00 34.95 33.72 2wya s ARG 452 CO 0.45 -1.66 0.12 0.21 0.02 0.00 0.00 175.30 174.44 2wya s LYS 453 N -5.04 3.97 0.10 3.54 2.36 -0.31 -4.96 119.74 119.40 2wya s LYS 453 Ca 0.61 -0.22 -0.30 0.00 -2.55 0.00 0.00 55.97 53.51 2wya s LYS 453 Cb -0.16 -3.33 -0.06 0.00 -1.05 0.00 0.00 37.83 33.23 2wya s LYS 453 CO 0.55 0.41 1.03 0.00 1.55 0.00 0.00 175.35 178.90 2wya s VAL 455 N 0.26 2.53 0.67 0.00 1.01 0.05 -4.92 120.40 120.00 2wya s VAL 455 Ca 0.50 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 2wya s VAL 455 Cb -0.25 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.19 2wya s VAL 455 CO 0.31 0.57 1.26 -0.94 0.00 0.00 0.00 175.10 176.30 2wya s SER 456 N -0.71 4.48 0.43 3.32 1.04 -1.26 -4.36 113.70 116.65 2wya s SER 456 Ca 0.11 2.51 0.12 0.00 0.48 0.00 0.00 55.95 59.17 2wya s SER 456 Cb -0.10 -2.61 0.99 0.00 0.10 0.00 0.00 66.02 64.40 2wya s SER 456 CO -0.00 -2.08 2.01 -0.65 0.98 0.00 0.00 173.24 173.50 2wya h PRO 457 N 0.26 0.43 -0.06 4.02 0.11 -1.92 0.15 132.00 134.98 2wya h PRO 457 Ca -0.50 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2wya h PRO 457 Cb 1.32 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2wya h PRO 457 CO 0.52 0.28 0.03 0.93 -0.21 0.00 0.00 178.00 179.56 2wya h GLU 458 N 0.44 0.09 -0.18 1.05 3.07 -1.98 -0.52 114.58 116.56 2wya h GLU 458 Ca 0.24 -0.01 -0.15 0.00 -0.50 0.00 0.00 59.36 58.93 2wya h GLU 458 Cb 0.36 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2wya h GLU 458 CO -0.06 0.14 -0.52 1.49 -1.40 0.00 0.00 179.01 178.66 2wya h GLU 459 N 0.01 0.50 -0.57 2.33 4.81 -1.79 -1.92 114.58 117.95 2wya h GLU 459 Ca 0.02 -0.30 0.04 0.00 -0.13 0.00 0.00 59.36 58.98 2wya h GLU 459 Cb 0.08 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 2wya h GLU 459 CO -0.00 0.90 0.33 0.35 -0.73 0.00 0.00 179.01 179.85 2wya h PHE 460 N 0.39 0.61 -0.59 0.92 3.57 -0.90 -0.55 116.94 120.39 2wya h PHE 460 Ca 0.01 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 2wya h PHE 460 Cb 1.04 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 2wya h PHE 460 CO 0.04 0.33 0.17 1.15 -2.23 0.00 0.00 178.31 177.76 2wya h THR 461 N 0.64 1.25 -0.77 4.41 2.02 -0.85 -0.42 112.91 119.18 2wya h THR 461 Ca 0.24 -0.85 0.02 0.00 0.77 0.00 0.00 66.41 66.58 2wya h THR 461 Cb 0.07 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 2wya h THR 461 CO -0.12 0.32 0.50 -0.33 0.37 0.00 0.00 175.52 176.26 2wya h GLU 462 N 0.84 0.98 -0.63 6.66 3.07 -1.00 0.16 114.58 124.66 2wya h GLU 462 Ca 0.19 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 58.90 2wya h GLU 462 Cb 0.31 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 2wya h GLU 462 CO -0.00 0.65 0.06 0.82 -1.40 0.00 0.00 179.01 179.13 2wya h ILE 463 N 1.01 1.26 -0.54 3.13 2.04 -0.61 -0.12 117.51 123.68 2wya h ILE 463 Ca 0.30 -1.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 2wya h ILE 463 Cb -0.06 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2wya h ILE 463 CO -0.08 0.40 0.24 0.24 0.00 0.00 0.00 178.15 178.94 2wya h MET 464 N 0.98 0.79 -0.76 2.37 2.86 -0.68 -1.46 114.93 119.03 2wya h MET 464 Ca 0.19 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2wya h MET 464 Cb 0.48 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 2wya h MET 464 CO 0.02 0.67 0.44 -0.91 1.06 0.00 0.00 176.91 178.19 2wya h ASN 465 N 0.72 0.92 -0.45 1.22 2.35 -0.65 -1.83 115.58 117.86 2wya h ASN 465 Ca 0.18 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 2wya h ASN 465 Cb 0.16 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 2wya h ASN 465 CO -0.02 0.72 0.11 -0.61 -1.65 0.00 0.00 177.43 175.98 2wya h GLN 466 N 1.05 0.79 -0.86 0.81 4.15 -0.63 -1.54 115.11 118.88 2wya h GLN 466 Ca 0.27 -0.16 0.04 0.00 0.77 0.00 0.00 58.65 59.57 2wya h GLN 466 Cb -0.02 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.50 2wya h GLN 466 CO -0.05 0.72 0.55 0.00 -1.93 0.00 0.00 178.83 178.12 2wya h ARG 467 N 0.76 1.02 -0.45 1.69 3.08 -0.42 -0.94 114.38 119.13 2wya h ARG 467 Ca 0.17 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 2wya h ARG 467 Cb 0.30 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2wya h ARG 467 CO 0.00 0.68 0.09 0.93 -1.07 0.00 0.00 179.97 180.59 2wya h GLU 468 N 1.05 0.74 -0.55 0.04 5.08 -1.09 -2.10 114.58 117.75 2wya h GLU 468 Ca 0.35 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 2wya h GLU 468 Cb 0.04 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2wya h GLU 468 CO -0.13 0.75 0.11 1.96 -1.00 0.00 0.00 179.01 180.70 2wya h GLN 469 N 0.60 0.86 -0.01 2.33 4.20 -0.76 -3.15 115.11 119.19 2wya h GLN 469 Ca 0.14 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2wya h GLN 469 Cb 0.36 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2wya h GLN 469 CO 0.01 0.80 -0.44 1.19 -0.67 0.00 0.00 178.83 179.71 2wya n PHE 470 N -4.25 0.00 -0.27 2.96 3.72 -0.41 -4.58 117.46 114.63 2wya n PHE 470 Ca 0.04 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.50 2wya n PHE 470 Cb 0.25 -0.05 0.18 0.00 -0.94 0.00 0.00 39.48 38.91 2wya n PHE 470 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 2wya h TYR 471 N 1.72 -0.03 -0.02 1.38 5.03 -1.33 -1.83 116.97 121.88 2wya h TYR 471 Ca 0.00 0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.37 2wya h TYR 471 Cb 0.64 0.14 0.00 0.00 1.55 0.00 0.00 36.73 39.06 2wya h TYR 471 CO 0.00 -0.26 -0.02 0.72 -1.32 0.00 0.00 178.16 177.28 2wya n HIS 472 N -5.35 0.00 -1.91 -3.82 -0.00 -1.26 -5.03 115.22 97.85 2wya n HIS 472 Ca 0.15 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.50 2wya n HIS 472 Cb 0.51 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.54 2wya n HIS 472 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 2wya s LYS 473 N -1.47 2.86 0.34 -0.41 0.00 -0.69 -5.05 119.74 115.31 2wya s LYS 473 Ca 0.20 1.94 0.04 0.00 0.00 0.00 0.00 55.97 58.15 2wya s LYS 473 Cb 0.14 -1.93 -0.06 0.00 0.00 0.00 0.00 37.83 35.98 2wya s LYS 473 CO 0.23 -1.33 0.06 0.14 0.00 0.00 0.00 175.35 174.45 2wya s VAL 474 N -1.50 1.23 -1.17 1.79 -7.23 -1.26 -4.89 120.40 107.37 2wya s VAL 474 Ca 0.79 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.82 2wya s VAL 474 Cb -0.34 -2.79 -0.02 0.00 0.56 0.00 0.00 36.38 33.80 2wya s VAL 474 CO 0.36 0.00 0.78 -3.20 -0.31 0.00 0.00 175.10 172.73 2wya n ASN 475 N -0.74 -4.54 -3.60 4.85 2.85 0.43 -4.93 115.26 109.59 2wya n ASN 475 Ca -0.03 -0.93 -0.11 0.00 -0.11 0.00 0.00 54.58 53.40 2wya n ASN 475 Cb 0.67 -3.80 -0.04 0.00 1.24 0.00 0.00 39.78 37.85 2wya n ASN 475 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 2wya s PHE 476 N -3.52 -0.28 -0.22 1.20 -0.12 -0.22 -4.97 117.98 109.85 2wya s PHE 476 Ca 0.36 0.01 -0.05 0.00 -0.05 0.00 0.00 56.93 57.21 2wya s PHE 476 Cb -0.11 0.31 -0.02 0.00 -0.63 0.00 0.00 43.02 42.58 2wya s PHE 476 CO 0.83 -0.72 -0.01 -1.12 -0.05 0.00 0.00 175.22 174.16 2wya s SER 477 N -2.71 4.56 0.14 1.98 0.01 -1.26 -1.12 113.70 115.30 2wya s SER 477 Ca 0.02 -0.32 -0.35 0.00 1.31 0.00 0.00 55.95 56.61 2wya s SER 477 Cb 0.01 -1.79 -0.15 0.00 0.21 0.00 0.00 66.02 64.30 2wya s SER 477 CO -0.11 -0.01 1.52 -2.65 0.41 0.00 0.00 173.24 172.39 2wya n PRO 478 N 4.75 1.89 -1.29 12.44 -0.02 -1.26 -4.94 135.00 146.57 2wya n PRO 478 Ca -0.18 0.68 -0.31 0.00 -2.02 0.00 0.00 63.50 61.68 2wya n PRO 478 Cb 0.51 -2.42 0.09 0.00 -0.02 0.00 0.00 33.50 31.66 2wya n PRO 478 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2wya s PRO 479 N 0.81 2.28 0.00 0.52 0.04 -1.26 -4.88 135.00 132.52 2wya s PRO 479 Ca 0.80 1.19 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2wya s PRO 479 Cb -0.75 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 31.89 2wya s PRO 479 CO 0.40 -1.62 0.00 0.41 0.04 0.00 0.00 177.00 176.23 2wya n GLY 480 N -1.16 4.25 3.65 0.56 0.00 -1.26 -4.53 105.19 106.70 2wya n GLY 480 Ca 0.09 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 2wya n GLY 480 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wya s ASP 481 N 0.00 7.00 0.53 1.61 2.15 -1.26 -4.89 116.67 121.81 2wya s ASP 481 Ca 0.00 1.35 0.36 0.00 0.43 0.00 0.00 52.55 54.69 2wya s ASP 481 Cb 0.00 -2.54 1.85 0.00 -0.30 0.00 0.00 42.92 41.93 2wya s ASP 481 CO 0.00 -0.76 2.08 0.71 -0.17 0.00 0.00 175.17 177.03 2wya h THR 482 N 5.56 0.00 0.00 1.71 1.35 -1.97 0.80 112.91 120.36 2wya h THR 482 Ca -0.21 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2wya h THR 482 Cb 1.07 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 2wya h THR 482 CO 0.99 0.00 0.00 0.78 -0.25 0.00 0.00 175.52 177.04 2wya h ASN 483 N 0.00 0.00 0.28 5.36 4.21 -2.00 -1.92 115.58 121.50 2wya h ASN 483 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2wya h ASN 483 Cb 0.11 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.31 2wya h ASN 483 CO 0.00 0.00 -0.06 -1.20 -1.29 0.00 0.00 177.43 174.88 2wya n SER 484 N -2.59 0.43 -4.89 5.81 7.64 0.28 -4.83 113.62 115.47 2wya n SER 484 Ca 0.00 -0.70 -0.31 0.00 1.01 0.00 0.00 58.87 58.87 2wya n SER 484 Cb 0.20 -0.08 -0.05 0.00 -1.01 0.00 0.00 64.21 63.27 2wya n SER 484 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2wya s LEU 485 N -2.35 4.19 0.49 -3.43 1.43 -0.73 -4.72 118.68 113.58 2wya s LEU 485 Ca 0.33 0.78 -0.23 0.00 -1.03 0.00 0.00 54.13 53.99 2wya s LEU 485 Cb 0.21 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.82 2wya s LEU 485 CO 0.44 -0.04 1.33 -0.36 0.23 0.00 0.00 176.35 177.95 2wya s PHE 486 N -1.79 2.48 0.30 0.29 0.08 -1.26 -4.94 117.98 113.15 2wya s PHE 486 Ca 0.45 1.38 -0.29 0.00 0.12 0.00 0.00 56.93 58.59 2wya s PHE 486 Cb -0.11 -3.74 -0.13 0.00 -0.57 0.00 0.00 43.02 38.46 2wya s PHE 486 CO 0.23 -2.58 1.22 -2.30 -0.10 0.00 0.00 175.22 171.69 2wya n PRO 487 N -0.61 1.83 -0.53 0.24 -0.02 -1.26 -1.99 135.00 132.65 2wya n PRO 487 Ca 0.08 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2wya n PRO 487 Cb 0.45 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2wya n PRO 487 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wya n GLY 488 N 1.18 0.86 3.70 -1.23 0.00 -0.12 -4.82 105.19 104.75 2wya n GLY 488 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2wya n GLY 488 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wya s THR 489 N -3.11 4.86 0.38 2.61 2.01 -0.84 -4.72 115.64 116.83 2wya s THR 489 Ca 0.00 1.96 -0.24 0.00 0.31 0.00 0.00 61.69 63.71 2wya s THR 489 Cb 0.00 -4.28 -0.09 0.00 0.01 0.00 0.00 72.50 68.14 2wya s THR 489 CO 0.00 0.10 1.04 0.26 -0.69 0.00 0.00 174.62 175.33 2wya s TRP 490 N 1.45 3.33 0.08 4.92 0.52 -1.26 -0.81 118.94 127.17 2wya s TRP 490 Ca 0.48 1.66 -0.07 0.00 0.02 0.00 0.00 56.10 58.19 2wya s TRP 490 Cb -0.19 -3.11 -0.01 0.00 -1.15 0.00 0.00 33.47 29.01 2wya s TRP 490 CO 0.22 -0.53 0.15 1.52 0.02 0.00 0.00 176.95 178.33 2wya s TYR 491 N -1.63 0.23 -0.35 -1.98 -0.85 0.46 -4.69 117.35 108.52 2wya s TYR 491 Ca 0.56 -0.68 -0.29 0.00 -0.52 0.00 0.00 57.07 56.14 2wya s TYR 491 Cb -0.22 -0.13 0.01 0.00 0.38 0.00 0.00 41.96 42.01 2wya s TYR 491 CO 0.28 -0.51 1.20 -1.17 -1.52 0.00 0.00 175.55 173.83 2wya s LEU 492 N -2.87 3.82 -0.06 -3.49 2.96 0.47 -1.49 118.68 118.01 2wya s LEU 492 Ca 0.05 0.97 0.00 0.00 -0.22 0.00 0.00 54.13 54.94 2wya s LEU 492 Cb 0.05 -3.54 -0.26 0.00 0.50 0.00 0.00 46.19 42.95 2wya s LEU 492 CO -0.11 -1.08 0.58 -0.08 -1.32 0.00 0.00 176.35 174.35 2wya h GLU 493 N 9.00 0.18 -1.73 1.98 4.81 -1.14 -3.39 114.58 124.29 2wya h GLU 493 Ca -0.24 -0.31 0.03 0.00 -0.13 0.00 0.00 59.36 58.71 2wya h GLU 493 Cb 1.08 0.12 -0.24 0.00 0.63 0.00 0.00 28.75 30.34 2wya h GLU 493 CO 1.06 0.97 0.36 0.50 -0.73 0.00 0.00 179.01 181.17 2wya s ARG 494 N -2.59 0.65 -0.24 1.92 3.52 -1.08 -4.24 118.95 116.89 2wya s ARG 494 Ca -0.13 0.60 -0.06 0.00 -0.13 0.00 0.00 55.73 56.01 2wya s ARG 494 Cb 0.07 0.32 -0.01 0.00 -1.56 0.00 0.00 34.95 33.76 2wya s ARG 494 CO 0.81 -0.11 0.03 0.08 -0.81 0.00 0.00 175.30 175.29 2wya s VAL 495 N -0.07 3.87 0.52 7.11 1.01 -0.27 -0.61 120.40 131.96 2wya s VAL 495 Ca 0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 2wya s VAL 495 Cb -0.04 -2.82 0.12 0.00 0.00 0.00 0.00 36.38 33.63 2wya s VAL 495 CO -0.02 0.33 0.72 -0.90 0.00 0.00 0.00 175.10 175.23 2wya n ASP 496 N 4.86 0.36 0.09 3.32 5.68 -0.32 -0.43 116.55 130.10 2wya n ASP 496 Ca -0.17 -1.44 0.10 0.00 -0.50 0.00 0.00 54.79 52.78 2wya n ASP 496 Cb 0.51 -0.52 0.57 0.00 -1.14 0.00 0.00 41.12 40.54 2wya n ASP 496 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2wya h GLU 497 N 0.00 0.20 -0.65 0.11 3.07 -1.91 -0.85 114.58 114.56 2wya h GLU 497 Ca -0.23 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 2wya h GLU 497 Cb 0.72 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 2wya h GLU 497 CO 0.19 0.14 0.00 1.04 -1.40 0.00 0.00 179.01 178.98 2wya n GLN 498 N -4.48 3.94 -1.35 2.33 3.00 -1.26 -4.77 117.38 114.79 2wya n GLN 498 Ca 0.03 -2.56 -0.12 0.00 -0.01 0.00 0.00 57.00 54.34 2wya n GLN 498 Cb 0.23 -2.03 -0.05 0.00 0.00 0.00 0.00 30.24 28.39 2wya n GLN 498 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 2wya n HIS 499 N 0.66 0.00 -2.96 1.08 -0.00 -0.36 -4.98 115.22 108.66 2wya n HIS 499 Ca 0.23 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 58.01 2wya n HIS 499 Cb 0.95 -2.27 -0.05 0.00 -0.12 0.00 0.00 29.99 28.50 2wya n HIS 499 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2wya s ARG 500 N -2.99 4.49 -0.15 1.57 0.52 -1.26 -4.80 118.95 116.33 2wya s ARG 500 Ca 0.00 1.06 -0.13 0.00 -0.52 0.00 0.00 55.73 56.14 2wya s ARG 500 Cb 0.00 -3.41 -0.05 0.00 0.52 0.00 0.00 34.95 32.02 2wya s ARG 500 CO 0.00 0.16 0.27 1.03 0.02 0.00 0.00 175.30 176.77 2wya s ARG 501 N 0.41 4.13 -0.09 3.54 0.52 -1.26 -1.18 118.95 125.01 2wya s ARG 501 Ca 0.40 0.06 0.02 0.00 -0.52 0.00 0.00 55.73 55.69 2wya s ARG 501 Cb -0.20 -3.38 -0.02 0.00 0.52 0.00 0.00 34.95 31.87 2wya s ARG 501 CO 0.22 0.34 -0.14 -1.59 0.02 0.00 0.00 175.30 174.15 2wya s LYS 502 N 0.16 2.99 0.12 3.54 0.00 0.22 -5.01 119.74 121.75 2wya s LYS 502 Ca 0.16 -0.71 0.08 0.00 0.00 0.00 0.00 55.97 55.50 2wya s LYS 502 Cb -0.13 -2.50 -0.04 0.00 0.00 0.00 0.00 37.83 35.16 2wya s LYS 502 CO 0.04 0.38 -0.12 0.71 0.00 0.00 0.00 175.35 176.37 2wya s TYR 503 N -0.10 2.68 0.26 1.78 2.02 -1.26 -0.55 117.35 122.17 2wya s TYR 503 Ca -0.02 -0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.51 2wya s TYR 503 Cb -0.14 -1.39 -0.05 0.00 -0.40 0.00 0.00 41.96 39.97 2wya s TYR 503 CO 0.04 0.43 0.06 0.00 -1.57 0.00 0.00 175.55 174.50 2wya s ALA 504 N -1.26 1.83 -0.07 3.71 0.00 -0.56 -4.85 121.76 120.57 2wya s ALA 504 Ca 0.21 -1.86 0.02 0.00 0.00 0.00 0.00 51.96 50.34 2wya s ALA 504 Cb -0.11 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.83 2wya s ALA 504 CO 0.13 -0.37 -0.13 0.50 0.00 0.00 0.00 175.76 175.89 2wya s ARG 505 N -3.96 1.78 0.16 0.00 3.52 -1.26 -0.41 118.95 118.79 2wya s ARG 505 Ca 0.34 -0.44 -0.31 0.00 -0.13 0.00 0.00 55.73 55.20 2wya s ARG 505 Cb 0.07 -1.46 -0.09 0.00 -1.56 0.00 0.00 34.95 31.92 2wya s ARG 505 CO 0.12 0.03 1.38 0.50 -0.81 0.00 0.00 175.30 176.52 2wya s ARG 506 N 0.65 4.33 0.46 5.12 3.52 0.01 -4.93 118.95 128.12 2wya s ARG 506 Ca -0.15 2.11 -0.23 0.00 -0.13 0.00 0.00 55.73 57.33 2wya s ARG 506 Cb -0.16 -3.21 -0.09 0.00 -1.56 0.00 0.00 34.95 29.93 2wya s ARG 506 CO 0.04 -0.38 1.07 -2.30 -0.81 0.00 0.00 175.30 172.92 2wya n PRO 507 N 3.29 1.40 0.00 5.12 -0.02 -1.26 -0.95 135.00 142.59 2wya n PRO 507 Ca 0.09 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2wya n PRO 507 Cb 0.42 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2wya n PRO 507 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76