#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ooa n GLY 39 N 0.00 1.41 3.68 -0.02 0.00 -1.26 -5.04 105.19 103.96 1ooa n GLY 39 Ca 0.00 -1.94 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 1ooa n GLY 39 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ooa n PRO 40 N 0.00 1.62 -3.98 1.61 -0.02 -1.26 -4.92 135.00 128.05 1ooa n PRO 40 Ca 0.00 0.59 -0.10 0.00 -2.02 0.00 0.00 63.50 61.97 1ooa n PRO 40 Cb 0.00 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 31.08 1ooa n PRO 40 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1ooa s TYR 41 N -1.28 0.45 0.00 6.00 1.13 -1.09 -4.78 117.35 117.78 1ooa s TYR 41 Ca 0.66 -0.80 -0.00 0.00 -1.41 0.00 0.00 57.07 55.51 1ooa s TYR 41 Cb -0.48 -0.08 -0.04 0.00 -1.10 0.00 0.00 41.96 40.26 1ooa s TYR 41 CO 0.54 -0.73 0.07 -1.17 -2.51 0.00 0.00 175.55 171.76 1ooa s LEU 42 N -2.98 3.85 -0.01 -3.49 1.98 -1.26 -1.16 118.68 115.60 1ooa s LEU 42 Ca 0.19 0.12 0.00 0.00 -2.89 0.00 0.00 54.13 51.55 1ooa s LEU 42 Cb 0.03 -2.26 0.02 0.00 0.66 0.00 0.00 46.19 44.65 1ooa s LEU 42 CO 0.01 0.27 0.02 -1.58 -1.89 0.00 0.00 176.35 173.18 1ooa s GLN 43 N -1.75 -0.02 -0.29 1.98 0.74 0.47 -4.91 119.66 115.87 1ooa s GLN 43 Ca 0.23 0.14 -0.28 0.00 0.05 0.00 0.00 55.36 55.49 1ooa s GLN 43 Cb -0.12 -0.19 0.01 0.00 1.10 0.00 0.00 33.01 33.81 1ooa s GLN 43 CO 0.14 -0.12 1.02 0.42 -0.55 0.00 0.00 175.29 176.19 1ooa s ILE 44 N 0.79 4.60 0.01 -2.34 1.01 -1.26 0.80 121.20 124.81 1ooa s ILE 44 Ca -0.07 1.73 -0.08 0.00 0.00 0.00 0.00 60.65 62.23 1ooa s ILE 44 Cb -0.10 -4.34 -0.30 0.00 0.01 0.00 0.00 42.46 37.73 1ooa s ILE 44 CO -0.02 -0.36 0.89 -0.07 0.00 0.00 0.00 174.94 175.38 1ooa h LEU 45 N 9.80 0.55 -7.30 2.97 4.07 0.71 -3.45 115.31 122.66 1ooa h LEU 45 Ca -0.21 -0.70 -0.36 0.00 0.08 0.00 0.00 57.88 56.70 1ooa h LEU 45 Cb 1.07 -0.18 -0.38 0.00 1.08 0.00 0.00 40.66 42.24 1ooa h LEU 45 CO 0.99 1.57 -0.72 -0.70 -1.08 0.00 0.00 178.44 178.50 1ooa s GLU 46 N -2.61 -0.06 0.64 1.13 2.12 -0.36 -4.95 118.70 114.61 1ooa s GLU 46 Ca -0.10 0.41 -0.14 0.00 0.36 0.00 0.00 54.97 55.50 1ooa s GLU 46 Cb 0.06 -0.46 -0.02 0.00 0.26 0.00 0.00 34.13 33.97 1ooa s GLU 46 CO 0.88 -0.32 1.06 -0.65 -0.54 0.00 0.00 175.26 175.69 1ooa s GLN 47 N 2.17 3.11 0.64 4.30 -1.52 -1.26 -1.81 119.66 125.30 1ooa s GLN 47 Ca 0.04 1.14 -0.14 0.00 -1.95 0.00 0.00 55.36 54.46 1ooa s GLN 47 Cb -0.12 -2.01 -0.01 0.00 -0.22 0.00 0.00 33.01 30.65 1ooa s GLN 47 CO -0.03 -0.97 1.08 -1.25 -0.25 0.00 0.00 175.29 173.86 1ooa s PRO 48 N -4.40 3.01 0.26 2.91 0.04 -1.26 0.90 135.00 136.46 1ooa s PRO 48 Ca 0.62 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 62.58 1ooa s PRO 48 Cb -0.16 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1ooa s PRO 48 CO 0.43 -1.06 1.27 0.21 0.04 0.00 0.00 177.00 177.89 1ooa s LYS 49 N -4.31 4.43 0.13 4.56 2.47 0.15 -4.19 119.74 122.99 1ooa s LYS 49 Ca 0.63 2.05 -0.01 0.00 -1.56 0.00 0.00 55.97 57.09 1ooa s LYS 49 Cb -0.17 -3.15 -0.09 0.00 -1.46 0.00 0.00 37.83 32.95 1ooa s LYS 49 CO 0.43 -0.14 1.30 1.96 0.16 0.00 0.00 175.35 179.06 1ooa h GLN 50 N 4.43 0.29 -5.39 4.03 4.20 -1.89 -3.46 115.11 117.32 1ooa h GLN 50 Ca -0.46 -0.34 -0.41 0.00 0.06 0.00 0.00 58.65 57.49 1ooa h GLN 50 Cb 1.22 0.10 -0.19 0.00 0.30 0.00 0.00 27.48 28.91 1ooa h GLN 50 CO 0.71 1.06 -0.77 1.03 -0.67 0.00 0.00 178.83 180.20 1ooa s ARG 51 N -3.12 0.95 0.00 1.46 0.52 -1.26 -0.94 118.95 116.56 1ooa s ARG 51 Ca -0.04 -1.14 0.00 0.00 -0.52 0.00 0.00 55.73 54.03 1ooa s ARG 51 Cb 0.09 -0.87 0.00 0.00 0.52 0.00 0.00 34.95 34.69 1ooa s ARG 51 CO 0.85 0.17 0.00 0.41 0.02 0.00 0.00 175.30 176.76 1ooa n GLY 52 N 0.79 0.53 3.86 -3.53 0.00 -1.26 -5.06 105.19 100.53 1ooa n GLY 52 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 1ooa n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ooa s PHE 53 N -2.00 3.64 -0.23 1.61 5.36 -1.26 -4.86 117.98 120.24 1ooa s PHE 53 Ca 0.00 0.72 -0.10 0.00 -0.96 0.00 0.00 56.93 56.59 1ooa s PHE 53 Cb 0.00 -2.09 -0.05 0.00 -0.34 0.00 0.00 43.02 40.55 1ooa s PHE 53 CO 0.00 0.66 0.14 0.50 -1.46 0.00 0.00 175.22 175.06 1ooa s ARG 54 N -1.28 4.02 0.32 10.12 3.52 -1.26 -0.94 118.95 133.45 1ooa s ARG 54 Ca 0.22 -0.30 -0.27 0.00 -0.13 0.00 0.00 55.73 55.25 1ooa s ARG 54 Cb -0.14 -3.47 -0.09 0.00 -1.56 0.00 0.00 34.95 29.69 1ooa s ARG 54 CO 0.11 0.08 1.03 -0.06 -0.81 0.00 0.00 175.30 175.65 1ooa s PHE 55 N 0.98 3.58 -0.09 5.12 0.40 -1.26 -4.75 117.98 121.96 1ooa s PHE 55 Ca 0.07 1.74 0.03 0.00 -0.60 0.00 0.00 56.93 58.16 1ooa s PHE 55 Cb -0.13 -3.13 -0.01 0.00 0.51 0.00 0.00 43.02 40.26 1ooa s PHE 55 CO 0.04 -0.28 -0.19 1.03 0.70 0.00 0.00 175.22 176.52 1ooa s ARG 56 N -1.81 2.90 0.57 0.44 1.81 -0.20 -4.80 118.95 117.87 1ooa s ARG 56 Ca 0.49 -0.79 -0.10 0.00 -1.72 0.00 0.00 55.73 53.61 1ooa s ARG 56 Cb -0.26 -2.38 -0.04 0.00 -0.45 0.00 0.00 34.95 31.82 1ooa s ARG 56 CO 0.33 0.33 0.96 0.71 -0.68 0.00 0.00 175.30 176.95 1ooa s TYR 57 N -0.01 3.60 0.20 -0.53 1.51 -1.26 -0.16 117.35 120.70 1ooa s TYR 57 Ca -0.06 1.17 -0.11 0.00 -1.01 0.00 0.00 57.07 57.07 1ooa s TYR 57 Cb -0.15 -2.61 0.22 0.00 -0.11 0.00 0.00 41.96 39.31 1ooa s TYR 57 CO 0.05 -0.55 1.78 0.28 -1.11 0.00 0.00 175.55 176.00 1ooa h VAL 58 N -0.06 0.91 0.00 0.71 2.07 -1.93 -1.77 116.25 116.17 1ooa h VAL 58 Ca -0.45 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1ooa h VAL 58 Cb 1.19 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1ooa h VAL 58 CO 0.62 0.10 0.00 0.00 0.02 0.00 0.00 177.57 178.31 1ooa n GLU 60 N -1.41 0.79 0.00 0.00 1.02 -0.67 -5.05 120.64 115.32 1ooa n GLU 60 Ca 0.03 -0.29 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 1ooa n GLU 60 Cb 0.08 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1ooa n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ooa n GLY 61 N 1.26 -0.37 3.98 0.62 0.00 -1.12 -5.03 105.19 104.53 1ooa n GLY 61 Ca 0.15 -1.78 -0.26 0.00 0.00 0.00 0.00 46.02 44.14 1ooa n GLY 61 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ooa s PRO 62 N -1.61 1.25 -0.42 1.61 0.02 -1.26 -4.81 135.00 129.79 1ooa s PRO 62 Ca 0.00 -0.98 -0.10 0.00 0.02 0.00 0.00 61.00 59.93 1ooa s PRO 62 Cb 0.00 -2.18 0.02 0.00 0.02 0.00 0.00 34.50 32.35 1ooa s PRO 62 CO 0.00 -1.82 0.39 0.43 -0.33 0.00 0.00 177.00 175.68 1ooa n SER 63 N -3.15 -3.16 -1.02 2.53 7.64 -1.26 -4.90 113.62 110.30 1ooa n SER 63 Ca 0.16 -0.41 0.09 0.00 1.01 0.00 0.00 58.87 59.73 1ooa n SER 63 Cb 0.60 -0.99 0.23 0.00 -1.01 0.00 0.00 64.21 63.04 1ooa n SER 63 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ooa n HIS 64 N -1.13 0.68 0.00 1.43 8.25 -1.26 -5.05 115.22 118.14 1ooa n HIS 64 Ca -0.14 -0.44 0.00 0.00 -0.26 0.00 0.00 57.72 56.87 1ooa n HIS 64 Cb 0.43 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.53 1ooa n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ooa n GLY 65 N 1.17 3.43 3.91 -1.41 0.00 -1.26 -5.07 105.19 105.97 1ooa n GLY 65 Ca 0.18 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.22 1ooa n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ooa s GLY 66 N 0.00 1.82 0.09 -0.02 0.00 -1.26 -4.39 107.32 103.55 1ooa s GLY 66 Ca 0.00 -0.68 -0.31 0.00 0.00 0.00 0.00 44.72 43.74 1ooa s GLY 66 CO 0.00 -0.59 1.76 -2.27 0.00 0.00 0.00 173.10 172.00 1ooa s LEU 67 N -3.48 4.39 0.36 0.66 2.96 0.49 -4.78 118.68 119.27 1ooa s LEU 67 Ca 0.42 2.62 -0.22 0.00 -0.22 0.00 0.00 54.13 56.72 1ooa s LEU 67 Cb -0.11 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.92 1ooa s LEU 67 CO 0.30 -0.96 0.91 -2.84 -1.32 0.00 0.00 176.35 172.44 1ooa s PRO 68 N 2.89 4.35 0.78 0.98 0.02 -1.26 -4.56 135.00 138.20 1ooa s PRO 68 Ca 0.78 1.13 -0.12 0.00 0.02 0.00 0.00 61.00 62.82 1ooa s PRO 68 Cb -0.43 -2.51 0.06 0.00 0.02 0.00 0.00 34.50 31.64 1ooa s PRO 68 CO 0.35 0.15 1.10 0.20 -0.33 0.00 0.00 177.00 178.47 1ooa s GLY 69 N -1.92 1.62 0.47 0.52 0.00 -0.18 0.34 107.32 108.17 1ooa s GLY 69 Ca 0.55 -0.26 0.32 0.00 0.00 0.00 0.00 44.72 45.33 1ooa s GLY 69 CO 0.18 0.16 1.94 0.00 0.00 0.00 0.00 173.10 175.39 1ooa h ALA 70 N -1.00 1.00 -0.01 3.20 0.00 0.35 -2.63 119.26 120.17 1ooa h ALA 70 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ooa h ALA 70 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ooa h ALA 70 CO 0.61 0.00 -0.39 0.43 0.00 0.00 0.00 179.25 179.90 1ooa n SER 71 N -2.77 1.46 -4.60 0.00 7.64 -1.26 -4.88 113.62 109.21 1ooa n SER 71 Ca 0.00 -1.23 -0.41 0.00 1.01 0.00 0.00 58.87 58.25 1ooa n SER 71 Cb 0.22 0.55 0.02 0.00 -1.01 0.00 0.00 64.21 63.99 1ooa n SER 71 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ooa n SER 72 N -0.32 0.98 -4.24 6.43 2.88 -0.99 -4.79 113.62 113.58 1ooa n SER 72 Ca 0.06 0.97 -0.13 0.00 -1.33 0.00 0.00 58.87 58.44 1ooa n SER 72 Cb 0.32 -1.34 -0.10 0.00 -0.75 0.00 0.00 64.21 62.33 1ooa n SER 72 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ooa s GLU 73 N -2.13 1.18 0.48 -1.46 0.41 -0.36 -4.85 118.70 111.96 1ooa s GLU 73 Ca 0.66 -1.60 0.20 0.00 -0.41 0.00 0.00 54.97 53.82 1ooa s GLU 73 Cb -0.53 -0.07 1.21 0.00 -1.78 0.00 0.00 34.13 32.96 1ooa s GLU 73 CO 0.55 -0.25 2.03 -0.22 -0.49 0.00 0.00 175.26 176.88 1ooa h LYS 74 N 2.62 0.00 0.00 1.61 3.64 -2.01 -2.94 116.57 119.50 1ooa h LYS 74 Ca -0.37 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 58.73 1ooa h LYS 74 Cb 1.22 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 1ooa h LYS 74 CO 0.60 0.16 -1.61 -1.71 -2.27 0.00 0.00 179.45 174.62 1ooa n ASN 75 N -4.00 1.89 -4.17 4.20 5.15 -1.26 -4.70 115.26 112.36 1ooa n ASN 75 Ca -0.02 0.41 -0.39 0.00 -0.60 0.00 0.00 54.58 53.97 1ooa n ASN 75 Cb 0.25 -0.91 -0.06 0.00 -0.53 0.00 0.00 39.78 38.52 1ooa n ASN 75 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1ooa s LYS 76 N -2.41 3.21 -0.07 1.20 1.02 -1.21 -5.06 119.74 116.41 1ooa s LYS 76 Ca -0.31 -2.87 -0.30 0.00 0.02 0.00 0.00 55.97 52.51 1ooa s LYS 76 Cb 0.08 -4.04 -0.04 0.00 -0.52 0.00 0.00 37.83 33.32 1ooa s LYS 76 CO 0.54 -1.24 1.33 0.15 -0.92 0.00 0.00 175.35 175.21 1ooa s LYS 77 N -0.62 4.28 0.37 1.68 1.02 -1.11 -1.23 119.74 124.13 1ooa s LYS 77 Ca 0.22 1.81 0.08 0.00 0.02 0.00 0.00 55.97 58.11 1ooa s LYS 77 Cb -0.13 -3.67 -0.07 0.00 -0.52 0.00 0.00 37.83 33.45 1ooa s LYS 77 CO -0.08 -0.61 -0.03 0.45 -0.92 0.00 0.00 175.35 174.16 1ooa s SER 78 N 1.95 3.88 0.21 2.83 0.15 -1.26 -4.89 113.70 116.56 1ooa s SER 78 Ca 0.60 -1.23 -0.01 0.00 0.70 0.00 0.00 55.95 56.00 1ooa s SER 78 Cb -0.27 -0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 63.61 1ooa s SER 78 CO 0.22 -0.32 0.16 -0.31 1.20 0.00 0.00 173.24 174.19 1ooa s TYR 79 N -2.64 1.15 0.41 3.44 2.02 -1.26 -1.01 117.35 119.46 1ooa s TYR 79 Ca 0.34 -1.36 -0.25 0.00 -0.37 0.00 0.00 57.07 55.43 1ooa s TYR 79 Cb 0.05 -0.53 -0.11 0.00 -0.40 0.00 0.00 41.96 40.97 1ooa s TYR 79 CO 0.18 -0.67 1.10 -2.30 -1.57 0.00 0.00 175.55 172.28 1ooa n PRO 80 N -0.29 1.54 -3.67 -1.71 -0.02 -1.25 -4.54 135.00 125.06 1ooa n PRO 80 Ca 0.02 0.55 -0.09 0.00 -2.02 0.00 0.00 63.50 61.96 1ooa n PRO 80 Cb 0.66 -2.14 -0.09 0.00 -0.02 0.00 0.00 33.50 31.91 1ooa n PRO 80 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ooa s GLN 81 N -2.04 0.51 0.34 -0.52 0.74 -0.75 -0.87 119.66 117.07 1ooa s GLN 81 Ca 0.62 0.97 0.07 0.00 0.05 0.00 0.00 55.36 57.08 1ooa s GLN 81 Cb -0.55 0.07 -0.07 0.00 1.10 0.00 0.00 33.01 33.56 1ooa s GLN 81 CO 0.57 -0.16 -0.04 0.14 -0.55 0.00 0.00 175.29 175.26 1ooa s VAL 82 N 1.57 1.87 -0.00 1.34 -7.23 -0.47 0.13 120.40 117.61 1ooa s VAL 82 Ca -0.09 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 57.97 1ooa s VAL 82 Cb -0.07 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.17 1ooa s VAL 82 CO -0.16 -0.16 -0.00 -0.75 -0.31 0.00 0.00 175.10 173.72 1ooa s LYS 83 N -3.71 0.05 -0.25 4.82 2.20 0.24 -2.01 119.74 121.09 1ooa s LYS 83 Ca 0.33 -0.01 -0.16 0.00 -0.36 0.00 0.00 55.97 55.77 1ooa s LYS 83 Cb 0.05 -0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.27 1ooa s LYS 83 CO 0.15 0.00 0.40 0.42 -0.36 0.00 0.00 175.35 175.97 1ooa s ILE 84 N 0.04 5.16 0.19 5.43 1.01 -0.90 -0.39 121.20 131.75 1ooa s ILE 84 Ca -0.00 0.66 0.06 0.00 0.00 0.00 0.00 60.65 61.36 1ooa s ILE 84 Cb -0.01 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1ooa s ILE 84 CO -0.00 0.17 0.15 0.00 0.00 0.00 0.00 174.94 175.26 1ooa n ASN 86 N -0.58 -5.41 -3.64 0.00 5.03 -1.26 -2.68 115.26 106.72 1ooa n ASN 86 Ca -0.08 -0.22 -0.09 0.00 0.87 0.00 0.00 54.58 55.05 1ooa n ASN 86 Cb 0.56 -4.42 -0.07 0.00 -1.02 0.00 0.00 39.78 34.83 1ooa n ASN 86 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1ooa s TYR 87 N -3.06 -0.52 -0.06 3.10 5.04 -1.26 -4.30 117.35 116.29 1ooa s TYR 87 Ca 0.25 1.25 -0.02 0.00 -2.44 0.00 0.00 57.07 56.11 1ooa s TYR 87 Cb -0.12 0.35 0.03 0.00 0.35 0.00 0.00 41.96 42.58 1ooa s TYR 87 CO 0.31 -0.25 0.05 0.08 -1.34 0.00 0.00 175.55 174.40 1ooa s VAL 88 N 0.30 -0.02 -5.00 3.14 1.01 -1.26 -4.94 120.40 113.62 1ooa s VAL 88 Ca 0.02 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1ooa s VAL 88 Cb -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1ooa s VAL 88 CO -0.06 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1ooa n GLY 89 N 5.27 -0.49 3.75 4.51 0.00 -1.17 -5.05 105.19 112.02 1ooa n GLY 89 Ca -0.04 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 1ooa n GLY 89 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ooa s PRO 90 N -2.00 2.72 -0.15 1.61 0.02 -1.26 -4.26 135.00 131.69 1ooa s PRO 90 Ca 0.00 1.75 -0.30 0.00 0.02 0.00 0.00 61.00 62.47 1ooa s PRO 90 Cb 0.00 -1.91 0.13 0.00 0.02 0.00 0.00 34.50 32.74 1ooa s PRO 90 CO 0.00 -1.38 1.03 0.00 -0.33 0.00 0.00 177.00 176.31 1ooa s ALA 91 N -1.80 -1.94 -0.06 -1.55 0.00 -1.23 -4.42 121.76 110.76 1ooa s ALA 91 Ca 0.75 1.52 0.03 0.00 0.00 0.00 0.00 51.96 54.26 1ooa s ALA 91 Cb -0.29 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1ooa s ALA 91 CO 0.37 -0.39 -0.14 0.21 0.00 0.00 0.00 175.76 175.82 1ooa s LYS 92 N -1.54 2.66 -0.10 0.00 2.20 -0.07 -0.26 119.74 122.64 1ooa s LYS 92 Ca 0.01 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 1ooa s LYS 92 Cb -0.01 -2.43 0.02 0.00 -1.51 0.00 0.00 37.83 33.91 1ooa s LYS 92 CO -0.01 0.55 -0.08 0.08 -0.36 0.00 0.00 175.35 175.53 1ooa s VAL 93 N -0.55 0.99 0.13 4.02 1.01 -0.47 0.14 120.40 125.68 1ooa s VAL 93 Ca 0.08 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 61.83 1ooa s VAL 93 Cb -0.12 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1ooa s VAL 93 CO 0.01 0.35 -0.06 0.27 0.00 0.00 0.00 175.10 175.67 1ooa s ILE 94 N 1.45 3.51 -0.11 2.22 -4.36 0.38 -1.84 121.20 122.44 1ooa s ILE 94 Ca -0.00 -1.34 0.01 0.00 -0.26 0.00 0.00 60.65 59.06 1ooa s ILE 94 Cb -0.13 -2.69 0.02 0.00 1.25 0.00 0.00 42.46 40.90 1ooa s ILE 94 CO -0.05 0.02 -0.12 -0.69 0.24 0.00 0.00 174.94 174.34 1ooa s VAL 95 N -1.44 1.31 0.23 8.37 1.01 0.40 -1.28 120.40 129.01 1ooa s VAL 95 Ca 0.24 -0.51 0.11 0.00 0.00 0.00 0.00 61.98 61.83 1ooa s VAL 95 Cb -0.10 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 1ooa s VAL 95 CO 0.16 0.41 -0.19 -1.10 0.00 0.00 0.00 175.10 174.37 1ooa s GLN 96 N 1.25 1.70 -0.11 2.72 -0.21 -0.77 -1.72 119.66 122.52 1ooa s GLN 96 Ca -0.02 -1.58 -0.15 0.00 0.02 0.00 0.00 55.36 53.62 1ooa s GLN 96 Cb -0.14 -1.87 -0.05 0.00 1.00 0.00 0.00 33.01 31.95 1ooa s GLN 96 CO -0.05 0.37 0.37 -0.51 -2.12 0.00 0.00 175.29 173.36 1ooa s LEU 97 N -3.09 4.30 0.28 2.90 1.43 -1.26 -1.12 118.68 122.12 1ooa s LEU 97 Ca 0.26 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 54.08 1ooa s LEU 97 Cb -0.07 -2.51 -0.06 0.00 0.03 0.00 0.00 46.19 43.58 1ooa s LEU 97 CO 0.13 0.12 0.04 0.68 0.23 0.00 0.00 176.35 177.55 1ooa s VAL 98 N 0.18 1.03 0.73 -1.59 -7.23 0.10 -1.61 120.40 112.00 1ooa s VAL 98 Ca 0.21 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.25 1ooa s VAL 98 Cb -0.14 -2.59 0.03 0.00 0.56 0.00 0.00 36.38 34.23 1ooa s VAL 98 CO 0.08 -0.13 1.08 0.42 -0.31 0.00 0.00 175.10 176.24 1ooa s THR 99 N -3.42 3.62 -0.35 5.32 -4.23 0.58 -0.85 115.64 116.31 1ooa s THR 99 Ca 0.34 0.53 0.07 0.00 -1.18 0.00 0.00 61.69 61.45 1ooa s THR 99 Cb 0.07 -3.37 0.58 0.00 1.34 0.00 0.00 72.50 71.13 1ooa s THR 99 CO 0.13 -0.69 1.65 -3.20 -0.54 0.00 0.00 174.62 171.97 1ooa n ASN 100 N -3.16 3.14 -1.39 3.99 4.05 -1.26 -4.57 115.26 116.06 1ooa n ASN 100 Ca 0.07 -3.65 0.00 0.00 0.45 0.00 0.00 54.58 51.45 1ooa n ASN 100 Cb 0.56 -0.71 0.00 0.00 1.23 0.00 0.00 39.78 40.85 1ooa n ASN 100 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ooa n GLY 101 N -1.04 0.70 0.17 8.20 0.00 -1.26 -4.99 105.19 106.96 1ooa n GLY 101 Ca 0.43 -1.86 -0.16 0.00 0.00 0.00 0.00 46.02 44.43 1ooa n GLY 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ooa h LYS 102 N 0.00 0.51 -4.47 1.61 1.79 -2.03 -3.40 116.57 110.58 1ooa h LYS 102 Ca 0.00 -0.57 -0.71 0.00 -2.18 0.00 0.00 60.65 57.19 1ooa h LYS 102 Cb 0.00 0.17 -0.30 0.00 -1.58 0.00 0.00 32.23 30.52 1ooa h LYS 102 CO 0.00 1.20 -0.49 -0.80 -1.08 0.00 0.00 179.45 178.28 1ooa s ASN 103 N -7.18 5.51 0.12 0.86 0.02 -1.26 -5.07 114.94 107.93 1ooa s ASN 103 Ca -0.07 -1.64 -0.35 0.00 -1.02 0.00 0.00 52.86 49.78 1ooa s ASN 103 Cb 0.08 -1.94 -0.15 0.00 0.02 0.00 0.00 41.25 39.26 1ooa s ASN 103 CO 0.89 -0.53 1.45 -0.38 0.02 0.00 0.00 177.10 178.55 1ooa n ILE 104 N 4.83 0.00 -4.02 0.60 2.08 -1.26 -4.94 119.36 116.65 1ooa n ILE 104 Ca -0.09 -0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.13 1ooa n ILE 104 Cb 0.42 -1.15 -0.08 0.00 -0.75 0.00 0.00 39.64 38.08 1ooa n ILE 104 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 1ooa s HIS 105 N 0.71 0.51 0.37 1.39 3.76 -1.26 -4.36 115.29 116.40 1ooa s HIS 105 Ca 0.82 -0.92 -0.28 0.00 -0.15 0.00 0.00 55.06 54.53 1ooa s HIS 105 Cb -0.83 -0.25 -0.10 0.00 1.11 0.00 0.00 32.58 32.51 1ooa s HIS 105 CO 0.43 -0.56 1.40 -0.51 -0.85 0.00 0.00 174.74 174.65 1ooa s LEU 106 N -2.96 4.32 0.25 0.89 1.43 -1.19 -0.30 118.68 121.12 1ooa s LEU 106 Ca 0.15 2.87 -0.01 0.00 -1.03 0.00 0.00 54.13 56.11 1ooa s LEU 106 Cb 0.06 -3.72 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 1ooa s LEU 106 CO -0.04 -0.79 0.45 -2.28 0.23 0.00 0.00 176.35 173.92 1ooa s HIS 107 N -1.15 3.48 -0.05 0.29 5.65 -0.63 -4.59 115.29 118.28 1ooa s HIS 107 Ca 0.53 0.36 0.17 0.00 0.25 0.00 0.00 55.06 56.37 1ooa s HIS 107 Cb -0.43 -1.88 0.32 0.00 -1.18 0.00 0.00 32.58 29.41 1ooa s HIS 107 CO 0.57 0.29 1.56 0.00 -0.65 0.00 0.00 174.74 176.51 1ooa h ALA 108 N 1.59 0.79 -2.30 1.58 0.00 -1.91 -3.46 119.26 115.55 1ooa h ALA 108 Ca -0.49 -0.39 -0.48 0.00 0.00 0.00 0.00 54.91 53.55 1ooa h ALA 108 Cb 1.20 -0.07 0.16 0.00 0.00 0.00 0.00 17.79 19.08 1ooa h ALA 108 CO 0.66 0.54 0.22 -1.01 0.00 0.00 0.00 179.25 179.65 1ooa s HIS 109 N -3.19 2.10 0.04 0.00 3.76 -1.26 -4.79 115.29 111.95 1ooa s HIS 109 Ca 0.03 1.34 0.07 0.00 -0.15 0.00 0.00 55.06 56.35 1ooa s HIS 109 Cb 0.09 -3.17 -0.02 0.00 1.11 0.00 0.00 32.58 30.58 1ooa s HIS 109 CO 0.72 -2.62 -0.20 -1.12 -0.85 0.00 0.00 174.74 170.67 1ooa s SER 110 N -3.19 2.42 -0.08 1.40 0.01 -0.95 -4.80 113.70 108.51 1ooa s SER 110 Ca 0.64 -0.50 -0.20 0.00 1.31 0.00 0.00 55.95 57.20 1ooa s SER 110 Cb -0.20 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.79 1ooa s SER 110 CO 0.58 0.16 0.56 -0.22 0.41 0.00 0.00 173.24 174.73 1ooa s LEU 111 N -1.10 4.32 0.09 2.44 2.96 -0.92 -0.23 118.68 126.24 1ooa s LEU 111 Ca 0.07 0.99 0.02 0.00 -0.22 0.00 0.00 54.13 54.98 1ooa s LEU 111 Cb -0.09 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 1ooa s LEU 111 CO 0.01 0.00 -0.07 0.54 -1.32 0.00 0.00 176.35 175.52 1ooa s VAL 112 N 0.44 0.67 0.00 1.68 0.11 -0.38 -3.81 120.40 119.11 1ooa s VAL 112 Ca 0.30 -1.87 0.00 0.00 -2.93 0.00 0.00 61.98 57.48 1ooa s VAL 112 Cb -0.16 -1.60 0.00 0.00 -1.53 0.00 0.00 36.38 33.09 1ooa s VAL 112 CO 0.14 -0.84 0.00 0.61 -3.33 0.00 0.00 175.10 171.68 1ooa n GLY 113 N 0.07 0.23 3.64 6.54 0.00 -1.26 -1.22 105.19 113.18 1ooa n GLY 113 Ca -0.13 -2.02 -0.57 0.00 0.00 0.00 0.00 46.02 43.30 1ooa n GLY 113 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ooa n LYS 114 N 0.00 1.02 -1.25 1.61 4.81 -1.07 -1.18 118.16 122.10 1ooa n LYS 114 Ca 0.00 0.36 -0.09 0.00 -0.87 0.00 0.00 58.31 57.71 1ooa n LYS 114 Cb 0.00 -2.10 -0.04 0.00 0.02 0.00 0.00 35.03 32.91 1ooa n LYS 114 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1ooa n HIS 115 N 6.27 0.00 -3.94 5.64 8.25 -1.26 -4.88 115.22 125.30 1ooa n HIS 115 Ca 0.31 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.45 1ooa n HIS 115 Cb 0.13 -2.10 -0.05 0.00 1.12 0.00 0.00 29.99 29.09 1ooa n HIS 115 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ooa s GLU 117 N -2.25 0.71 -1.45 0.00 2.12 -0.59 -4.71 118.70 112.53 1ooa s GLU 117 Ca 0.31 1.12 -0.09 0.00 0.36 0.00 0.00 54.97 56.67 1ooa s GLU 117 Cb -0.13 0.20 0.04 0.00 0.26 0.00 0.00 34.13 34.49 1ooa s GLU 117 CO 0.23 -0.13 0.93 -0.25 -0.54 0.00 0.00 175.26 175.50 1ooa n ASP 118 N 3.87 -5.69 0.00 -1.70 8.00 -1.26 -2.03 116.55 117.73 1ooa n ASP 118 Ca -0.18 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 54.79 1ooa n ASP 118 Cb 0.58 -4.54 0.00 0.00 -0.02 0.00 0.00 41.12 37.14 1ooa n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ooa n GLY 119 N -1.73 0.53 3.23 0.44 0.00 -1.25 -4.94 105.19 101.47 1ooa n GLY 119 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 1ooa n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ooa s VAL 120 N -2.44 1.69 -0.23 1.61 1.01 -0.86 -2.17 120.40 119.02 1ooa s VAL 120 Ca 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 1ooa s VAL 120 Cb 0.00 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 1ooa s VAL 120 CO 0.00 0.48 0.15 0.00 0.00 0.00 0.00 175.10 175.73 1ooa s THR 122 N 0.83 1.90 -0.06 0.00 2.01 -0.92 -0.45 115.64 118.95 1ooa s THR 122 Ca 0.08 -0.92 -0.08 0.00 0.31 0.00 0.00 61.69 61.08 1ooa s THR 122 Cb -0.13 -1.66 0.02 0.00 0.01 0.00 0.00 72.50 70.74 1ooa s THR 122 CO 0.02 0.52 0.20 0.54 -0.69 0.00 0.00 174.62 175.22 1ooa s VAL 123 N 0.47 0.02 -0.18 3.82 0.11 -0.77 -4.83 120.40 119.03 1ooa s VAL 123 Ca -0.17 -0.14 -0.16 0.00 -2.93 0.00 0.00 61.98 58.59 1ooa s VAL 123 Cb -0.17 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 1ooa s VAL 123 CO 0.07 -0.07 0.40 0.28 -3.33 0.00 0.00 175.10 172.44 1ooa s THR 124 N -0.20 5.21 -0.56 5.04 -1.32 -1.26 -1.36 115.64 121.19 1ooa s THR 124 Ca -0.03 0.72 -0.28 0.00 -1.21 0.00 0.00 61.69 60.89 1ooa s THR 124 Cb -0.03 -3.73 0.03 0.00 -1.51 0.00 0.00 72.50 67.26 1ooa s THR 124 CO 0.01 0.28 1.22 0.00 -2.21 0.00 0.00 174.62 173.92 1ooa s ALA 125 N 1.09 2.99 0.08 11.08 0.00 0.65 -4.94 121.76 132.71 1ooa s ALA 125 Ca 0.20 -0.73 -0.13 0.00 0.00 0.00 0.00 51.96 51.30 1ooa s ALA 125 Cb -0.14 -4.02 -0.08 0.00 0.00 0.00 0.00 23.12 18.87 1ooa s ALA 125 CO 0.08 -2.63 0.26 0.41 0.00 0.00 0.00 175.76 173.87 1ooa n GLY 126 N 5.06 -0.73 0.34 0.00 0.00 -1.07 -3.47 105.19 105.32 1ooa n GLY 126 Ca 0.10 0.17 0.19 0.00 0.00 0.00 0.00 46.02 46.48 1ooa n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ooa h PRO 127 N 0.53 0.00 0.00 1.61 0.13 -1.92 -3.13 132.00 129.21 1ooa h PRO 127 Ca -0.14 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.83 1ooa h PRO 127 Cb 0.65 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.75 1ooa h PRO 127 CO 0.26 0.00 -1.57 1.63 -0.23 0.00 0.00 178.00 178.09 1ooa n LYS 128 N -3.16 0.22 -2.48 0.86 5.02 -1.26 -3.02 118.16 114.34 1ooa n LYS 128 Ca -0.02 0.09 -0.43 0.00 -2.02 0.00 0.00 58.31 55.93 1ooa n LYS 128 Cb 0.22 -0.90 -0.02 0.00 -0.02 0.00 0.00 35.03 34.31 1ooa n LYS 128 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ooa s ASP 129 N -5.81 6.61 -0.18 4.39 -1.08 -1.18 -4.89 116.67 114.53 1ooa s ASP 129 Ca -0.14 0.90 0.13 0.00 -0.52 0.00 0.00 52.55 52.91 1ooa s ASP 129 Cb 0.05 -2.54 0.69 0.00 -1.46 0.00 0.00 42.92 39.66 1ooa s ASP 129 CO 0.18 -1.19 1.56 0.23 0.52 0.00 0.00 175.17 176.47 1ooa n MET 130 N 7.59 4.14 -5.28 4.34 2.81 -1.26 -2.58 117.12 126.87 1ooa n MET 130 Ca 0.14 -2.65 -0.31 0.00 -1.81 0.00 0.00 57.70 53.07 1ooa n MET 130 Cb 0.48 -2.09 -0.16 0.00 -0.71 0.00 0.00 33.22 30.74 1ooa n MET 130 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1ooa s VAL 131 N -2.36 2.03 -0.01 2.03 1.01 -1.26 -2.11 120.40 119.73 1ooa s VAL 131 Ca 0.46 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1ooa s VAL 131 Cb 0.34 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1ooa s VAL 131 CO 0.15 0.57 -0.09 0.68 0.00 0.00 0.00 175.10 176.42 1ooa s VAL 132 N -0.45 0.68 0.38 2.92 -7.23 -0.85 -4.82 120.40 111.03 1ooa s VAL 132 Ca 0.05 -0.37 0.08 0.00 -1.81 0.00 0.00 61.98 59.94 1ooa s VAL 132 Cb -0.11 -0.58 -0.06 0.00 0.56 0.00 0.00 36.38 36.19 1ooa s VAL 132 CO 0.01 0.19 0.02 -0.83 -0.31 0.00 0.00 175.10 174.18 1ooa s GLY 133 N -0.18 2.28 -0.30 2.32 0.00 -1.26 -1.37 107.32 108.81 1ooa s GLY 133 Ca 0.03 -2.12 -0.02 0.00 0.00 0.00 0.00 44.72 42.60 1ooa s GLY 133 CO -0.00 -1.99 0.11 -1.36 0.00 0.00 0.00 173.10 169.86 1ooa s PHE 134 N -2.61 1.05 0.32 1.90 0.08 -0.05 -4.97 117.98 113.70 1ooa s PHE 134 Ca 0.36 -1.33 0.09 0.00 0.12 0.00 0.00 56.93 56.16 1ooa s PHE 134 Cb 0.04 -1.33 -0.05 0.00 -0.57 0.00 0.00 43.02 41.12 1ooa s PHE 134 CO 0.19 -0.86 0.04 0.00 -0.10 0.00 0.00 175.22 174.49 1ooa s ALA 135 N 1.84 3.26 -1.31 5.36 0.00 -1.26 -3.77 121.76 125.88 1ooa s ALA 135 Ca 0.09 -1.85 -0.04 0.00 0.00 0.00 0.00 51.96 50.17 1ooa s ALA 135 Cb -0.17 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.40 1ooa s ALA 135 CO -0.31 0.11 0.94 -1.71 0.00 0.00 0.00 175.76 174.80 1ooa n ASN 136 N -0.98 -2.98 -4.37 0.00 4.05 -1.26 -4.57 115.26 105.14 1ooa n ASN 136 Ca -0.04 -0.69 -0.33 0.00 0.45 0.00 0.00 54.58 53.97 1ooa n ASN 136 Cb 0.61 -4.61 -0.14 0.00 1.23 0.00 0.00 39.78 36.87 1ooa n ASN 136 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1ooa s LEU 137 N -6.77 2.70 0.09 1.20 2.96 -1.26 -2.58 118.68 115.01 1ooa s LEU 137 Ca 0.21 -0.33 0.08 0.00 -0.22 0.00 0.00 54.13 53.87 1ooa s LEU 137 Cb -0.10 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 1ooa s LEU 137 CO 0.77 0.17 -0.21 -0.83 -1.32 0.00 0.00 176.35 174.93 1ooa s GLY 138 N 0.31 1.22 -0.42 7.98 0.00 -0.36 0.18 107.32 116.23 1ooa s GLY 138 Ca -0.10 -1.20 -0.17 0.00 0.00 0.00 0.00 44.72 43.25 1ooa s GLY 138 CO 0.06 -1.18 0.40 -0.42 0.00 0.00 0.00 173.10 171.95 1ooa s ILE 139 N -1.06 5.14 -0.56 0.90 1.01 -1.26 -1.25 121.20 124.12 1ooa s ILE 139 Ca 0.07 -0.49 -0.27 0.00 0.00 0.00 0.00 60.65 59.97 1ooa s ILE 139 Cb -0.10 -4.02 0.03 0.00 0.01 0.00 0.00 42.46 38.39 1ooa s ILE 139 CO 0.04 -0.40 1.08 -0.22 0.00 0.00 0.00 174.94 175.44 1ooa s LEU 140 N 1.98 3.73 -0.47 2.97 2.96 0.68 -1.03 118.68 129.50 1ooa s LEU 140 Ca 0.09 -0.06 -0.28 0.00 -0.22 0.00 0.00 54.13 53.66 1ooa s LEU 140 Cb -0.18 -3.05 0.01 0.00 0.50 0.00 0.00 46.19 43.47 1ooa s LEU 140 CO 0.12 -1.36 1.39 -2.28 -1.32 0.00 0.00 176.35 172.91 1ooa s HIS 141 N 4.51 2.39 0.87 5.38 5.65 0.78 -2.23 115.29 132.63 1ooa s HIS 141 Ca 0.38 0.61 -0.12 0.00 0.25 0.00 0.00 55.06 56.19 1ooa s HIS 141 Cb -0.09 -4.35 0.11 0.00 -1.18 0.00 0.00 32.58 27.07 1ooa s HIS 141 CO 0.23 -1.92 1.10 0.14 -0.65 0.00 0.00 174.74 173.64 1ooa s VAL 142 N 5.60 2.68 0.45 0.89 -7.23 -1.26 -4.23 120.40 117.30 1ooa s VAL 142 Ca 0.57 0.22 -0.12 0.00 -1.81 0.00 0.00 61.98 60.84 1ooa s VAL 142 Cb -0.12 -2.85 -0.07 0.00 0.56 0.00 0.00 36.38 33.90 1ooa s VAL 142 CO 0.30 -0.29 0.85 0.42 -0.31 0.00 0.00 175.10 176.07 1ooa s THR 143 N -3.08 4.71 -0.33 5.32 -4.23 -1.26 -4.93 115.64 111.85 1ooa s THR 143 Ca 0.63 0.79 0.22 0.00 -1.18 0.00 0.00 61.69 62.14 1ooa s THR 143 Cb -0.16 -3.74 0.22 0.00 1.34 0.00 0.00 72.50 70.16 1ooa s THR 143 CO 0.55 -0.63 1.67 1.17 -0.54 0.00 0.00 174.62 176.84 1ooa n LYS 144 N -1.52 0.16 0.08 3.99 4.81 -1.26 -1.69 118.16 122.72 1ooa n LYS 144 Ca 0.04 0.55 -0.14 0.00 -0.87 0.00 0.00 58.31 57.88 1ooa n LYS 144 Cb 0.54 -1.91 -0.14 0.00 0.02 0.00 0.00 35.03 33.54 1ooa n LYS 144 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1ooa h LYS 145 N 0.00 0.20 -0.68 1.64 1.57 -2.04 -3.35 116.57 113.92 1ooa h LYS 145 Ca 0.00 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1ooa h LYS 145 Cb 0.15 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1ooa h LYS 145 CO 0.00 1.11 0.00 1.63 -0.57 0.00 0.00 179.45 181.62 1ooa n LYS 146 N -3.45 3.63 0.21 3.15 5.02 -0.68 -4.55 118.16 121.48 1ooa n LYS 146 Ca -0.10 -2.88 -0.15 0.00 -2.02 0.00 0.00 58.31 53.16 1ooa n LYS 146 Cb 1.02 -1.86 -0.08 0.00 -0.02 0.00 0.00 35.03 34.08 1ooa n LYS 146 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ooa h VAL 147 N 4.21 0.65 0.43 -0.18 2.07 -1.67 -2.33 116.25 119.43 1ooa h VAL 147 Ca 0.00 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1ooa h VAL 147 Cb 1.40 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1ooa h VAL 147 CO 0.20 0.02 -0.49 0.15 0.02 0.00 0.00 177.57 177.48 1ooa h PHE 148 N -0.55 -1.35 -0.97 1.57 3.04 -1.87 0.22 116.94 117.03 1ooa h PHE 148 Ca -0.05 0.01 0.02 0.00 3.98 0.00 0.00 57.97 61.94 1ooa h PHE 148 Cb 0.41 0.53 -0.05 0.00 2.56 0.00 0.00 35.95 39.40 1ooa h PHE 148 CO -0.03 -0.64 0.64 1.05 -2.02 0.00 0.00 178.31 177.30 1ooa h GLU 149 N -0.94 1.23 -0.39 1.11 4.11 -1.87 -0.53 114.58 117.30 1ooa h GLU 149 Ca -0.05 -0.07 -0.10 0.00 0.07 0.00 0.00 59.36 59.21 1ooa h GLU 149 Cb 0.83 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1ooa h GLU 149 CO -0.09 0.81 -0.16 1.15 0.07 0.00 0.00 179.01 180.79 1ooa h THR 150 N 1.26 1.28 0.64 -1.06 2.02 -1.25 0.29 112.91 116.10 1ooa h THR 150 Ca 0.37 -1.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.24 1ooa h THR 150 Cb -0.07 1.29 0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1ooa h THR 150 CO -0.10 0.43 -0.31 0.25 0.37 0.00 0.00 175.52 176.15 1ooa h LEU 151 N 0.59 -0.73 -1.30 2.58 6.46 -0.20 -2.13 115.31 120.58 1ooa h LEU 151 Ca 0.09 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1ooa h LEU 151 Cb 0.70 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.82 1ooa h LEU 151 CO 0.05 -0.43 0.00 -0.08 -0.62 0.00 0.00 178.44 177.37 1ooa h GLU 152 N -1.02 0.00 0.92 1.25 4.81 -1.16 0.26 114.58 119.65 1ooa h GLU 152 Ca -0.09 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 1ooa h GLU 152 Cb 0.70 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.09 1ooa h GLU 152 CO 0.15 0.00 -0.44 0.00 -0.73 0.00 0.00 179.01 177.98 1ooa h ALA 153 N 2.11 -1.27 0.39 2.92 0.00 0.07 -2.27 119.26 121.21 1ooa h ALA 153 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1ooa h ALA 153 Cb 0.34 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ooa h ALA 153 CO 0.00 -1.18 -0.19 0.00 0.00 0.00 0.00 179.25 177.89 1ooa h ARG 154 N -1.31 -0.50 -0.83 0.00 3.08 -1.04 -2.85 114.38 110.94 1ooa h ARG 154 Ca -0.13 0.03 0.25 0.00 0.07 0.00 0.00 59.98 60.21 1ooa h ARG 154 Cb 0.95 0.11 -0.15 0.00 0.08 0.00 0.00 29.97 30.96 1ooa h ARG 154 CO 0.21 -0.19 0.11 -0.12 -1.07 0.00 0.00 179.97 178.91 1ooa n MET 155 N -5.18 -0.06 0.08 0.04 1.56 0.89 0.11 117.12 114.56 1ooa n MET 155 Ca -0.10 1.22 -0.13 0.00 -0.27 0.00 0.00 57.70 58.42 1ooa n MET 155 Cb 0.28 -1.99 -0.07 0.00 2.15 0.00 0.00 33.22 33.59 1ooa n MET 155 CO 0.00 0.00 0.00 1.15 -0.73 0.00 0.00 175.97 176.39 1ooa h THR 156 N 0.00 1.46 -0.93 1.12 2.02 -1.43 -3.29 112.91 111.86 1ooa h THR 156 Ca 0.55 -2.69 0.04 0.00 0.77 0.00 0.00 66.41 65.07 1ooa h THR 156 Cb 1.22 2.60 -0.05 0.00 -1.74 0.00 0.00 68.15 70.18 1ooa h THR 156 CO -0.75 0.79 0.61 -0.08 0.37 0.00 0.00 175.52 176.46 1ooa h GLU 157 N 0.15 1.13 0.66 6.66 4.81 0.11 -3.06 114.58 125.04 1ooa h GLU 157 Ca -0.09 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 1ooa h GLU 157 Cb 1.69 -0.25 0.01 0.00 0.63 0.00 0.00 28.75 30.82 1ooa h GLU 157 CO 0.17 0.75 -0.31 0.00 -0.73 0.00 0.00 179.01 178.88 1ooa h ALA 158 N 1.46 -1.17 -0.76 2.92 0.00 -1.35 -3.16 119.26 117.20 1ooa h ALA 158 Ca 0.37 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.24 1ooa h ALA 158 Cb 0.01 0.34 -0.14 0.00 0.00 0.00 0.00 17.79 18.00 1ooa h ALA 158 CO -0.11 -1.11 -0.17 0.00 0.00 0.00 0.00 179.25 177.87 1ooa h ILE 160 N 0.00 1.23 -0.50 0.00 2.04 -1.59 -2.48 117.51 116.21 1ooa h ILE 160 Ca 0.37 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1ooa h ILE 160 Cb 0.60 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1ooa h ILE 160 CO -0.77 0.34 0.00 0.54 0.00 0.00 0.00 178.15 178.26 1ooa n ARG 161 N -4.22 2.85 -1.68 2.37 1.74 0.11 -3.23 116.66 114.60 1ooa n ARG 161 Ca 0.02 -2.10 -0.06 0.00 -0.77 0.00 0.00 57.85 54.94 1ooa n ARG 161 Cb 0.30 -1.66 -0.02 0.00 -1.02 0.00 0.00 32.46 30.07 1ooa n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ooa n GLY 162 N 1.04 0.16 0.00 -0.13 0.00 -0.41 -3.89 105.19 101.97 1ooa n GLY 162 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1ooa n GLY 162 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ooa n TYR 163 N -2.00 0.00 -2.73 1.61 4.01 -1.17 -0.60 117.16 116.28 1ooa n TYR 163 Ca -0.07 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.61 1ooa n TYR 163 Cb 0.34 -0.46 0.04 0.00 -0.31 0.00 0.00 39.34 38.95 1ooa n TYR 163 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1ooa n ASN 164 N -2.25 -2.69 0.09 7.72 4.05 -1.26 -4.44 115.26 116.47 1ooa n ASN 164 Ca 0.00 -2.78 -0.12 0.00 0.45 0.00 0.00 54.58 52.13 1ooa n ASN 164 Cb 0.00 1.55 -0.06 0.00 1.23 0.00 0.00 39.78 42.50 1ooa n ASN 164 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1ooa h PRO 165 N 4.15 -0.22 0.00 1.20 0.11 -1.82 -2.62 132.00 132.80 1ooa h PRO 165 Ca -0.10 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1ooa h PRO 165 Cb 1.09 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1ooa h PRO 165 CO 0.13 -0.14 0.00 0.41 -0.21 0.00 0.00 178.00 178.19 1ooa n GLY 166 N -1.23 -1.13 0.08 -0.55 0.00 -1.19 -0.52 105.19 100.66 1ooa n GLY 166 Ca -0.07 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 1ooa n GLY 166 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ooa n LEU 167 N -1.51 1.80 -1.89 0.99 0.00 -1.15 -4.38 117.00 110.87 1ooa n LEU 167 Ca 0.04 0.32 0.01 0.00 0.00 0.00 0.00 56.01 56.39 1ooa n LEU 167 Cb 0.21 -0.73 0.34 0.00 0.00 0.00 0.00 43.42 43.24 1ooa n LEU 167 CO 0.17 -0.30 0.92 0.18 0.00 0.00 0.00 177.39 178.36 1ooa n LEU 168 N -4.33 5.69 0.00 -1.96 4.77 -1.00 -4.53 117.00 115.63 1ooa n LEU 168 Ca -0.13 -2.92 0.00 0.00 -0.03 0.00 0.00 56.01 52.93 1ooa n LEU 168 Cb 0.47 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1ooa n LEU 168 CO 0.19 0.69 0.00 0.52 -1.33 0.00 0.00 177.39 177.46 1ooa n VAL 169 N 0.27 0.00 -3.63 4.08 0.31 -0.88 -3.18 118.33 115.31 1ooa n VAL 169 Ca 0.32 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.53 1ooa n VAL 169 Cb 1.24 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 34.11 1ooa n VAL 169 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1ooa s HIS 170 N -0.20 -0.30 0.00 3.52 2.46 0.32 -4.99 115.29 116.10 1ooa s HIS 170 Ca 0.00 0.22 0.00 0.00 0.47 0.00 0.00 55.06 55.75 1ooa s HIS 170 Cb 0.00 0.26 0.00 0.00 -0.13 0.00 0.00 32.58 32.71 1ooa s HIS 170 CO 0.00 -0.62 0.66 0.43 -2.47 0.00 0.00 174.74 172.74 1ooa n SER 171 N 0.32 0.00 -1.96 9.88 7.64 -1.26 -3.14 113.62 125.09 1ooa n SER 171 Ca -0.18 0.68 -0.00 0.00 1.01 0.00 0.00 58.87 60.38 1ooa n SER 171 Cb 0.61 -0.24 -0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1ooa n SER 171 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1ooa n ASP 172 N -1.21 1.11 -0.02 6.43 5.68 -1.26 -0.85 116.55 126.43 1ooa n ASP 172 Ca 0.00 -1.34 0.00 0.00 -0.50 0.00 0.00 54.79 52.95 1ooa n ASP 172 Cb 0.00 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 1ooa n ASP 172 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1ooa n LEU 173 N 2.02 0.00 -1.56 -2.12 7.94 -1.23 -4.89 117.00 117.16 1ooa n LEU 173 Ca 0.01 -0.23 -0.08 0.00 -1.11 0.00 0.00 56.01 54.60 1ooa n LEU 173 Cb 0.11 0.00 0.13 0.00 0.53 0.00 0.00 43.42 44.20 1ooa n LEU 173 CO 0.03 0.21 0.84 0.00 -1.11 0.00 0.00 177.39 177.36 1ooa n ALA 174 N 0.00 3.94 -0.19 1.96 0.00 -0.03 -4.08 120.51 122.11 1ooa n ALA 174 Ca 0.00 -1.44 0.12 0.00 0.00 0.00 0.00 53.44 52.12 1ooa n ALA 174 Cb 0.51 -1.20 0.30 0.00 0.00 0.00 0.00 19.45 19.06 1ooa n ALA 174 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1ooa n TYR 175 N -0.19 0.89 -3.90 0.00 0.18 -1.26 -4.66 117.16 108.22 1ooa n TYR 175 Ca 0.28 -0.45 -0.29 0.00 1.88 0.00 0.00 57.90 59.32 1ooa n TYR 175 Cb 1.04 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.88 1ooa n TYR 175 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1ooa s LEU 176 N -1.07 4.75 1.21 -3.48 1.02 -1.26 -5.10 118.68 114.75 1ooa s LEU 176 Ca 0.47 -3.63 -0.17 0.00 0.02 0.00 0.00 54.13 50.82 1ooa s LEU 176 Cb 0.25 -1.66 0.29 0.00 0.02 0.00 0.00 46.19 45.08 1ooa s LEU 176 CO 0.32 -0.13 1.05 -1.10 0.02 0.00 0.00 176.35 176.52 1ooa s GLN 177 N -1.14 -1.24 0.05 1.70 -1.52 -1.26 -4.42 119.66 111.84 1ooa s GLN 177 Ca 0.23 0.24 -0.13 0.00 -1.95 0.00 0.00 55.36 53.75 1ooa s GLN 177 Cb -0.10 -1.57 -0.06 0.00 -0.22 0.00 0.00 33.01 31.06 1ooa s GLN 177 CO -0.12 -3.78 0.43 0.00 -0.25 0.00 0.00 175.29 171.56 1ooa s ALA 178 N -2.75 3.69 -0.36 6.09 0.00 0.23 -4.31 121.76 124.35 1ooa s ALA 178 Ca 0.69 -0.26 0.14 0.00 0.00 0.00 0.00 51.96 52.52 1ooa s ALA 178 Cb -0.15 -2.36 0.40 0.00 0.00 0.00 0.00 23.12 21.00 1ooa s ALA 178 CO 0.58 0.51 0.91 0.39 0.00 0.00 0.00 175.76 178.15 1ooa n GLU 179 N 1.33 1.06 -0.97 0.00 1.02 -1.26 -4.88 120.64 116.94 1ooa n GLU 179 Ca -0.10 -3.06 0.00 0.00 -0.02 0.00 0.00 57.16 53.97 1ooa n GLU 179 Cb 0.52 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 1ooa n GLU 179 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ooa n GLY 180 N 0.07 0.83 0.26 0.62 0.00 -1.26 -4.59 105.19 101.12 1ooa n GLY 180 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ooa n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ooa n GLY 181 N -2.14 0.95 6.51 -0.02 0.00 -1.25 -5.04 105.19 104.21 1ooa n GLY 181 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1ooa n GLY 181 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ooa n GLY 182 N 0.00 1.64 1.78 -0.02 0.00 -1.26 -4.59 105.19 102.75 1ooa n GLY 182 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 46.02 45.70 1ooa n GLY 182 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ooa n ASP 183 N 9.18 -0.68 0.00 1.61 9.92 -1.25 -4.83 116.55 130.50 1ooa n ASP 183 Ca 0.00 -1.28 0.00 0.00 -0.53 0.00 0.00 54.79 52.98 1ooa n ASP 183 Cb 0.00 1.09 0.00 0.00 -0.64 0.00 0.00 41.12 41.57 1ooa n ASP 183 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1ooa n ARG 184 N -0.37 0.00 -1.01 -1.24 0.63 -1.20 -4.74 116.66 108.73 1ooa n ARG 184 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1ooa n ARG 184 Cb 0.26 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.17 1ooa n ARG 184 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1ooa n GLN 185 N -1.55 -0.27 -2.30 -0.14 7.27 -1.26 -5.03 117.38 114.09 1ooa n GLN 185 Ca 0.00 0.67 -0.32 0.00 0.07 0.00 0.00 57.00 57.42 1ooa n GLN 185 Cb 0.00 -0.66 -0.02 0.00 2.41 0.00 0.00 30.24 31.97 1ooa n GLN 185 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1ooa s LEU 186 N -0.03 3.57 0.79 1.69 1.02 -1.26 -5.08 118.68 119.38 1ooa s LEU 186 Ca 0.00 1.58 -0.04 0.00 0.02 0.00 0.00 54.13 55.69 1ooa s LEU 186 Cb 0.00 -4.51 0.15 0.00 0.02 0.00 0.00 46.19 41.86 1ooa s LEU 186 CO 0.00 -0.68 1.09 0.42 0.02 0.00 0.00 176.35 177.19 1ooa s THR 187 N -2.66 2.06 0.26 5.49 -4.23 -1.26 -4.88 115.64 110.41 1ooa s THR 187 Ca 0.59 -0.47 0.14 0.00 -1.18 0.00 0.00 61.69 60.77 1ooa s THR 187 Cb -0.11 -2.59 0.05 0.00 1.34 0.00 0.00 72.50 71.20 1ooa s THR 187 CO 0.34 0.00 1.70 0.44 -0.54 0.00 0.00 174.62 176.56 1ooa h ASP 188 N -0.83 0.00 0.48 3.99 3.32 -1.99 -1.86 116.42 119.54 1ooa h ASP 188 Ca -0.37 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.50 1ooa h ASP 188 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1ooa h ASP 188 CO 0.38 0.49 -0.76 -0.09 -1.72 0.00 0.00 179.24 177.53 1ooa h ARG 189 N 0.00 0.22 -0.02 3.56 2.43 -1.99 -2.51 114.38 116.07 1ooa h ARG 189 Ca -0.00 -0.20 -0.13 0.00 -0.81 0.00 0.00 59.98 58.84 1ooa h ARG 189 Cb 0.95 0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1ooa h ARG 189 CO 0.06 0.88 -0.49 0.93 -1.51 0.00 0.00 179.97 179.85 1ooa h GLU 190 N 0.14 0.37 -0.28 0.20 5.08 -1.90 -2.42 114.58 115.77 1ooa h GLU 190 Ca -0.03 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1ooa h GLU 190 Cb 1.34 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 1ooa h GLU 190 CO 0.12 1.04 0.19 0.87 -1.00 0.00 0.00 179.01 180.22 1ooa h LYS 191 N -0.16 0.36 -0.19 2.33 1.57 -1.39 -0.46 116.57 118.63 1ooa h LYS 191 Ca -0.05 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.53 1ooa h LYS 191 Cb 1.19 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1ooa h LYS 191 CO 0.10 0.24 -0.56 1.49 -0.57 0.00 0.00 179.45 180.15 1ooa h GLU 192 N 0.37 0.72 -0.64 3.15 4.57 -1.43 -0.95 114.58 120.37 1ooa h GLU 192 Ca 0.10 -0.51 -0.09 0.00 -1.18 0.00 0.00 59.36 57.68 1ooa h GLU 192 Cb -0.03 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1ooa h GLU 192 CO -0.02 1.13 0.04 0.82 -1.18 0.00 0.00 179.01 179.81 1ooa h ILE 193 N 0.42 1.27 -0.76 2.32 2.04 -0.90 0.53 117.51 122.43 1ooa h ILE 193 Ca -0.02 -1.11 -0.05 0.00 1.00 0.00 0.00 64.86 64.68 1ooa h ILE 193 Cb 1.18 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1ooa h ILE 193 CO 0.12 0.41 0.26 0.40 0.00 0.00 0.00 178.15 179.34 1ooa h ILE 194 N 1.01 1.26 0.69 -0.67 2.04 -1.07 -1.23 117.51 119.55 1ooa h ILE 194 Ca 0.19 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1ooa h ILE 194 Cb 0.51 0.40 0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1ooa h ILE 194 CO 0.02 0.35 -0.33 -0.09 0.00 0.00 0.00 178.15 178.10 1ooa h ARG 195 N 1.13 -0.90 -0.62 2.37 2.43 -0.74 -0.26 114.38 117.80 1ooa h ARG 195 Ca 0.25 0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.59 1ooa h ARG 195 Cb 0.28 0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 1ooa h ARG 195 CO -0.01 -0.58 0.41 1.96 -1.51 0.00 0.00 179.97 180.25 1ooa h GLN 196 N -1.19 0.39 -0.07 0.20 4.20 -0.91 -0.39 115.11 117.34 1ooa h GLN 196 Ca -0.10 -0.02 -0.22 0.00 0.06 0.00 0.00 58.65 58.37 1ooa h GLN 196 Cb 0.73 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.44 1ooa h GLN 196 CO 0.16 0.25 -0.81 0.00 -0.67 0.00 0.00 178.83 177.76 1ooa h ALA 197 N 1.69 0.19 -0.07 3.87 0.00 -1.18 -1.78 119.26 121.98 1ooa h ALA 197 Ca 0.29 -0.62 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 1ooa h ALA 197 Cb 0.60 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1ooa h ALA 197 CO -0.08 0.59 -0.22 0.00 0.00 0.00 0.00 179.25 179.54 1ooa h ALA 198 N 0.45 1.50 0.56 0.00 0.00 -0.17 0.46 119.26 122.07 1ooa h ALA 198 Ca -0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1ooa h ALA 198 Cb 1.47 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.20 1ooa h ALA 198 CO 0.16 0.36 -0.27 0.28 0.00 0.00 0.00 179.25 179.79 1ooa h VAL 199 N 0.11 0.00 -0.74 0.00 2.07 -1.03 -2.18 116.25 114.48 1ooa h VAL 199 Ca 0.02 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.20 1ooa h VAL 199 Cb 0.46 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.19 1ooa h VAL 199 CO 0.03 0.00 0.49 -0.61 0.02 0.00 0.00 177.57 177.50 1ooa h GLN 200 N -1.15 0.77 0.00 1.57 4.15 -1.23 -1.56 115.11 117.65 1ooa h GLN 200 Ca -0.08 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 1ooa h GLN 200 Cb 0.58 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 1ooa h GLN 200 CO 0.13 0.51 -0.04 1.96 -1.93 0.00 0.00 178.83 179.46 1ooa h GLN 201 N 0.79 0.00 0.21 1.69 4.20 -0.93 -3.17 115.11 117.90 1ooa h GLN 201 Ca 0.32 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.70 1ooa h GLN 201 Cb 0.23 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.04 1ooa h GLN 201 CO -0.11 0.04 -1.50 1.15 -0.67 0.00 0.00 178.83 177.74 1ooa h THR 202 N 0.00 1.24 -0.28 -0.54 2.02 -0.61 -2.41 112.91 112.33 1ooa h THR 202 Ca -0.00 -2.74 -0.09 0.00 0.77 0.00 0.00 66.41 64.36 1ooa h THR 202 Cb 0.67 2.95 -0.05 0.00 -1.74 0.00 0.00 68.15 69.98 1ooa h THR 202 CO 0.00 0.83 0.11 2.29 0.37 0.00 0.00 175.52 179.13 1ooa n LYS 203 N -3.64 2.00 0.00 6.66 2.85 -1.12 -3.35 118.16 121.55 1ooa n LYS 203 Ca -0.17 -1.13 0.00 0.00 -1.05 0.00 0.00 58.31 55.96 1ooa n LYS 203 Cb 1.08 -1.63 0.00 0.00 -0.65 0.00 0.00 35.03 33.84 1ooa n LYS 203 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1ooa n GLU 204 N 0.08 2.50 -2.68 -1.58 2.13 -1.20 -5.07 120.64 114.82 1ooa n GLU 204 Ca 0.15 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.56 1ooa n GLU 204 Cb 0.75 -0.21 -0.04 0.00 0.27 0.00 0.00 31.44 32.21 1ooa n GLU 204 CO 0.00 0.00 0.00 1.41 -0.41 0.00 0.00 177.13 178.13 1ooa s MET 205 N 0.00 4.65 -0.42 5.31 1.75 -0.91 -5.02 119.30 124.67 1ooa s MET 205 Ca 0.00 1.50 -0.18 0.00 -1.25 0.00 0.00 55.69 55.76 1ooa s MET 205 Cb 0.00 -3.37 0.02 0.00 2.84 0.00 0.00 34.83 34.32 1ooa s MET 205 CO 0.00 0.14 0.49 0.34 -0.65 0.00 0.00 175.02 175.34 1ooa s ASP 206 N 0.16 6.24 0.00 1.11 -1.08 -1.26 -4.93 116.67 116.91 1ooa s ASP 206 Ca 0.48 -0.52 0.19 0.00 -0.52 0.00 0.00 52.55 52.19 1ooa s ASP 206 Cb -0.24 -2.25 0.89 0.00 -1.46 0.00 0.00 42.92 39.86 1ooa s ASP 206 CO 0.30 -0.61 1.59 0.18 0.52 0.00 0.00 175.17 177.15 1ooa n LEU 207 N 5.77 0.00 -0.52 -1.34 7.99 -1.26 -3.11 117.00 124.53 1ooa n LEU 207 Ca -0.06 0.39 0.12 0.00 -0.01 0.00 0.00 56.01 56.44 1ooa n LEU 207 Cb 0.48 -0.39 0.10 0.00 -0.11 0.00 0.00 43.42 43.51 1ooa n LEU 207 CO 0.48 -0.14 0.44 -1.20 -1.51 0.00 0.00 177.39 175.46 1ooa n SER 208 N -1.39 1.97 -4.03 -1.43 7.64 -1.26 -4.92 113.62 110.21 1ooa n SER 208 Ca 0.07 -1.47 -0.19 0.00 1.01 0.00 0.00 58.87 58.28 1ooa n SER 208 Cb 0.18 0.33 -0.15 0.00 -1.01 0.00 0.00 64.21 63.56 1ooa n SER 208 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ooa s VAL 209 N -2.39 0.76 0.09 0.44 1.01 -1.18 -1.03 120.40 118.09 1ooa s VAL 209 Ca 0.22 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 1ooa s VAL 209 Cb 0.19 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 1ooa s VAL 209 CO 0.51 0.22 0.14 0.54 0.00 0.00 0.00 175.10 176.51 1ooa s VAL 210 N -0.18 0.15 0.07 2.92 0.11 -0.63 -4.64 120.40 118.21 1ooa s VAL 210 Ca 0.03 -1.37 0.03 0.00 -2.93 0.00 0.00 61.98 57.74 1ooa s VAL 210 Cb -0.04 -1.44 -0.03 0.00 -1.53 0.00 0.00 36.38 33.33 1ooa s VAL 210 CO -0.00 -0.70 -0.09 -0.13 -3.33 0.00 0.00 175.10 170.85 1ooa s ARG 211 N -3.89 0.68 -0.11 1.54 0.52 -0.03 0.05 118.95 117.71 1ooa s ARG 211 Ca 0.07 -0.96 -0.10 0.00 -0.52 0.00 0.00 55.73 54.22 1ooa s ARG 211 Cb 0.06 -0.41 -0.05 0.00 0.52 0.00 0.00 34.95 35.07 1ooa s ARG 211 CO -0.10 0.07 0.22 -0.51 0.02 0.00 0.00 175.30 175.01 1ooa s LEU 212 N -2.01 4.35 -0.16 2.53 1.43 -1.26 0.02 118.68 123.58 1ooa s LEU 212 Ca -0.02 0.55 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 1ooa s LEU 212 Cb -0.06 -2.24 0.02 0.00 0.03 0.00 0.00 46.19 43.94 1ooa s LEU 212 CO -0.00 0.30 -0.16 -0.32 0.23 0.00 0.00 176.35 176.39 1ooa s MET 213 N -0.55 2.57 -0.20 1.70 1.75 -0.27 -0.41 119.30 123.90 1ooa s MET 213 Ca 0.16 -0.66 -0.09 0.00 -1.25 0.00 0.00 55.69 53.84 1ooa s MET 213 Cb -0.13 -2.28 -0.05 0.00 2.84 0.00 0.00 34.83 35.21 1ooa s MET 213 CO 0.05 -0.22 0.12 -0.06 -0.65 0.00 0.00 175.02 174.26 1ooa s PHE 214 N 1.39 3.38 -0.09 4.11 0.40 0.06 -1.84 117.98 125.39 1ooa s PHE 214 Ca 0.05 0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.67 1ooa s PHE 214 Cb -0.13 -2.14 0.02 0.00 0.51 0.00 0.00 43.02 41.28 1ooa s PHE 214 CO -0.11 0.27 -0.10 0.99 0.70 0.00 0.00 175.22 176.97 1ooa s THR 215 N 0.34 1.10 -0.00 0.64 2.01 -0.40 -1.33 115.64 117.99 1ooa s THR 215 Ca 0.07 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 1ooa s THR 215 Cb -0.11 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 1ooa s THR 215 CO -0.02 0.37 0.09 0.00 -0.69 0.00 0.00 174.62 174.38 1ooa s ALA 216 N 1.25 3.63 -0.05 7.40 0.00 -1.26 -0.47 121.76 132.26 1ooa s ALA 216 Ca -0.03 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1ooa s ALA 216 Cb -0.14 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.36 1ooa s ALA 216 CO -0.03 0.70 -0.15 -0.06 0.00 0.00 0.00 175.76 176.21 1ooa s PHE 217 N -1.21 1.61 -0.00 0.00 0.08 0.37 -1.75 117.98 117.08 1ooa s PHE 217 Ca 0.23 -0.51 0.01 0.00 0.12 0.00 0.00 56.93 56.78 1ooa s PHE 217 Cb -0.12 -1.11 -0.04 0.00 -0.57 0.00 0.00 43.02 41.18 1ooa s PHE 217 CO 0.14 -0.21 0.02 -0.51 -0.10 0.00 0.00 175.22 174.57 1ooa s LEU 218 N 0.25 3.61 0.32 -0.37 1.43 0.22 -0.89 118.68 123.25 1ooa s LEU 218 Ca -0.08 0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 52.76 1ooa s LEU 218 Cb -0.13 -2.08 -0.12 0.00 0.03 0.00 0.00 46.19 43.89 1ooa s LEU 218 CO 0.03 0.28 1.34 -0.81 0.23 0.00 0.00 176.35 177.41 1ooa n PRO 219 N 1.34 2.16 -0.57 1.29 -0.04 -1.26 -1.48 135.00 136.43 1ooa n PRO 219 Ca -0.14 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 1ooa n PRO 219 Cb 0.53 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 1ooa n PRO 219 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ooa n ASP 220 N 1.13 0.00 -0.34 3.54 5.75 -0.77 -4.80 116.55 121.07 1ooa n ASP 220 Ca 0.06 -0.62 0.07 0.00 -0.01 0.00 0.00 54.79 54.29 1ooa n ASP 220 Cb 0.35 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.67 1ooa n ASP 220 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1ooa h SER 221 N 0.00 0.79 1.55 -1.12 0.02 -1.95 -1.26 113.55 111.58 1ooa h SER 221 Ca 0.00 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1ooa h SER 221 Cb 0.00 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1ooa h SER 221 CO 0.00 0.40 -0.46 0.71 -1.14 0.00 0.00 176.83 176.34 1ooa h THR 222 N 0.86 0.28 0.00 -2.27 1.35 -2.02 -3.47 112.91 107.64 1ooa h THR 222 Ca 0.48 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1ooa h THR 222 Cb 0.54 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1ooa h THR 222 CO -0.29 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 175.75 1ooa n GLY 223 N 1.18 0.82 3.72 5.82 0.00 -0.47 -5.09 105.19 111.16 1ooa n GLY 223 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1ooa n GLY 223 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ooa s SER 224 N -1.54 7.36 -1.07 1.61 0.01 -1.26 -4.50 113.70 114.31 1ooa s SER 224 Ca 0.00 1.78 -0.24 0.00 1.31 0.00 0.00 55.95 58.80 1ooa s SER 224 Cb 0.00 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 1ooa s SER 224 CO 0.00 -0.23 1.98 -0.36 0.41 0.00 0.00 173.24 175.04 1ooa s PHE 225 N 0.63 1.79 -0.00 2.43 0.08 -1.26 -1.85 117.98 119.79 1ooa s PHE 225 Ca 0.51 0.78 0.01 0.00 0.12 0.00 0.00 56.93 58.35 1ooa s PHE 225 Cb -0.23 -3.92 -0.01 0.00 -0.57 0.00 0.00 43.02 38.29 1ooa s PHE 225 CO 0.29 -1.33 0.02 0.25 -0.10 0.00 0.00 175.22 174.35 1ooa n THR 226 N 8.00 0.00 -2.29 0.64 -2.24 -1.16 -4.76 114.28 112.47 1ooa n THR 226 Ca 0.43 -0.07 -0.43 0.00 -2.27 0.00 0.00 64.05 61.71 1ooa n THR 226 Cb 0.46 0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 69.21 1ooa n THR 226 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ooa s ARG 227 N -1.95 3.57 0.10 -0.78 0.52 -0.55 -4.75 118.95 115.10 1ooa s ARG 227 Ca -0.00 1.06 -0.15 0.00 -0.52 0.00 0.00 55.73 56.11 1ooa s ARG 227 Cb 0.01 -4.04 -0.07 0.00 0.52 0.00 0.00 34.95 31.37 1ooa s ARG 227 CO 0.03 -1.57 0.52 0.50 0.02 0.00 0.00 175.30 174.80 1ooa s ARG 228 N 4.99 4.01 0.18 3.54 3.52 -1.26 0.71 118.95 134.64 1ooa s ARG 228 Ca 0.64 0.52 0.06 0.00 -0.13 0.00 0.00 55.73 56.82 1ooa s ARG 228 Cb -0.16 -3.05 -0.04 0.00 -1.56 0.00 0.00 34.95 30.14 1ooa s ARG 228 CO 0.32 0.56 0.07 -0.51 -0.81 0.00 0.00 175.30 174.92 1ooa s LEU 229 N -1.62 3.54 -0.15 -0.88 1.43 -0.71 -4.97 118.68 115.32 1ooa s LEU 229 Ca 0.33 -0.28 -0.36 0.00 -1.03 0.00 0.00 54.13 52.79 1ooa s LEU 229 Cb -0.16 -2.17 -0.13 0.00 0.03 0.00 0.00 46.19 43.76 1ooa s LEU 229 CO 0.18 0.07 1.85 -0.62 0.23 0.00 0.00 176.35 178.07 1ooa n GLU 230 N -0.29 1.86 -2.08 1.70 -0.58 -1.26 -4.49 120.64 115.49 1ooa n GLU 230 Ca -0.09 0.68 -0.35 0.00 -0.42 0.00 0.00 57.16 56.99 1ooa n GLU 230 Cb 0.55 -2.49 0.02 0.00 -0.57 0.00 0.00 31.44 28.95 1ooa n GLU 230 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1ooa s PRO 231 N 4.01 3.14 -0.08 3.49 0.04 -1.26 -4.53 135.00 139.81 1ooa s PRO 231 Ca 0.95 1.58 0.03 0.00 0.04 0.00 0.00 61.00 63.60 1ooa s PRO 231 Cb -0.80 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 31.77 1ooa s PRO 231 CO 0.56 -1.01 -0.16 0.54 0.04 0.00 0.00 177.00 176.97 1ooa s VAL 232 N -1.91 1.43 0.28 -0.36 0.11 -0.44 -4.95 120.40 114.56 1ooa s VAL 232 Ca 0.72 -0.65 -0.07 0.00 -2.93 0.00 0.00 61.98 59.04 1ooa s VAL 232 Cb -0.24 -1.28 -0.06 0.00 -1.53 0.00 0.00 36.38 33.28 1ooa s VAL 232 CO 0.32 0.42 0.57 0.54 -3.33 0.00 0.00 175.10 173.62 1ooa s VAL 233 N 0.57 4.96 0.40 2.04 0.11 -1.26 -0.76 120.40 126.46 1ooa s VAL 233 Ca -0.16 0.28 0.05 0.00 -2.93 0.00 0.00 61.98 59.22 1ooa s VAL 233 Cb -0.16 -3.69 0.05 0.00 -1.53 0.00 0.00 36.38 31.05 1ooa s VAL 233 CO 0.05 -0.24 0.45 -1.54 -3.33 0.00 0.00 175.10 170.49 1ooa n SER 234 N -0.65 1.77 -4.66 3.54 3.41 0.46 -4.97 113.62 112.52 1ooa n SER 234 Ca -0.00 -2.17 -0.30 0.00 -0.26 0.00 0.00 58.87 56.14 1ooa n SER 234 Cb 0.53 -0.19 0.17 0.00 -0.26 0.00 0.00 64.21 64.46 1ooa n SER 234 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1ooa s ASP 235 N -3.41 2.85 0.34 4.04 -0.00 -1.26 -4.59 116.67 114.64 1ooa s ASP 235 Ca 0.34 1.76 -0.26 0.00 -0.00 0.00 0.00 52.55 54.39 1ooa s ASP 235 Cb -0.03 -2.37 -0.09 0.00 -0.00 0.00 0.00 42.92 40.43 1ooa s ASP 235 CO 0.22 -3.07 1.03 0.00 -0.00 0.00 0.00 175.17 173.35 1ooa s ALA 236 N -2.73 3.22 -0.21 5.23 0.00 -1.26 -4.39 121.76 121.61 1ooa s ALA 236 Ca 0.65 0.72 -0.02 0.00 0.00 0.00 0.00 51.96 53.31 1ooa s ALA 236 Cb -0.21 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1ooa s ALA 236 CO 0.59 -0.09 -0.09 0.42 0.00 0.00 0.00 175.76 176.59 1ooa s ILE 237 N -1.47 2.95 -0.20 0.00 1.01 0.11 -4.43 121.20 119.15 1ooa s ILE 237 Ca 0.51 -0.68 -0.10 0.00 0.00 0.00 0.00 60.65 60.39 1ooa s ILE 237 Cb -0.24 -2.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.84 1ooa s ILE 237 CO 0.31 0.43 0.13 -0.31 0.00 0.00 0.00 174.94 175.50 1ooa s TYR 238 N 1.41 3.39 0.02 3.97 2.02 -0.12 -1.60 117.35 126.44 1ooa s TYR 238 Ca 0.05 0.30 -0.30 0.00 -0.37 0.00 0.00 57.07 56.75 1ooa s TYR 238 Cb -0.14 -2.17 -0.07 0.00 -0.40 0.00 0.00 41.96 39.19 1ooa s TYR 238 CO -0.06 0.26 1.54 0.34 -1.57 0.00 0.00 175.55 176.06 1ooa s ASP 239 N 0.43 6.72 0.25 2.29 2.15 -0.20 -4.34 116.67 123.97 1ooa s ASP 239 Ca 0.08 2.28 0.23 0.00 0.43 0.00 0.00 52.55 55.57 1ooa s ASP 239 Cb -0.11 -2.56 0.97 0.00 -0.30 0.00 0.00 42.92 40.91 1ooa s ASP 239 CO -0.01 -0.82 1.70 -1.54 -0.17 0.00 0.00 175.17 174.33 1ooa n SER 240 N 5.75 0.65 -1.43 -0.34 3.41 -0.12 -2.47 113.62 119.07 1ooa n SER 240 Ca 0.15 0.66 -0.08 0.00 -0.26 0.00 0.00 58.87 59.34 1ooa n SER 240 Cb 0.42 -0.80 0.21 0.00 -0.26 0.00 0.00 64.21 63.78 1ooa n SER 240 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ooa n LYS 241 N -2.21 2.15 -1.32 4.33 4.76 -1.26 -5.01 118.16 119.60 1ooa n LYS 241 Ca 0.02 -3.11 -0.31 0.00 -2.87 0.00 0.00 58.31 52.05 1ooa n LYS 241 Cb 0.23 -1.93 0.10 0.00 -1.84 0.00 0.00 35.03 31.59 1ooa n LYS 241 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ooa s ALA 242 N -3.21 2.16 0.67 7.82 0.00 -1.03 -5.02 121.76 123.14 1ooa s ALA 242 Ca 0.48 0.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.45 1ooa s ALA 242 Cb 0.42 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.31 1ooa s ALA 242 CO 0.04 -1.82 1.05 -2.14 0.00 0.00 0.00 175.76 172.89 1ooa s PRO 243 N -4.95 3.12 0.40 0.00 0.02 -1.26 -4.99 135.00 127.33 1ooa s PRO 243 Ca 0.61 0.95 -0.27 0.00 0.02 0.00 0.00 61.00 62.31 1ooa s PRO 243 Cb -0.17 -2.01 -0.10 0.00 0.02 0.00 0.00 34.50 32.24 1ooa s PRO 243 CO 0.56 -0.96 1.43 1.21 -0.33 0.00 0.00 177.00 178.91 1ooa s ASN 244 N -3.73 6.24 0.00 2.53 2.47 -1.26 -4.92 114.94 116.26 1ooa s ASN 244 Ca 0.58 2.93 0.02 0.00 0.42 0.00 0.00 52.86 56.82 1ooa s ASN 244 Cb -0.14 -2.66 0.04 0.00 -1.45 0.00 0.00 41.25 37.04 1ooa s ASN 244 CO 0.52 -0.93 0.77 0.00 -3.72 0.00 0.00 177.10 173.74 1ooa n ALA 245 N 0.26 2.30 -2.70 1.71 0.00 -1.26 -5.04 120.51 115.77 1ooa n ALA 245 Ca 0.02 -0.73 -0.24 0.00 0.00 0.00 0.00 53.44 52.49 1ooa n ALA 245 Cb 0.41 -0.08 -0.07 0.00 0.00 0.00 0.00 19.45 19.71 1ooa n ALA 245 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ooa s SER 246 N -0.53 4.90 -0.04 0.00 1.04 -1.26 -5.04 113.70 112.77 1ooa s SER 246 Ca 0.03 -0.45 -0.25 0.00 0.48 0.00 0.00 55.95 55.76 1ooa s SER 246 Cb 0.02 -1.06 -0.21 0.00 0.10 0.00 0.00 66.02 64.87 1ooa s SER 246 CO 0.03 0.02 1.14 0.78 0.98 0.00 0.00 173.24 176.18 1ooa h ASN 247 N 2.02 0.10 -4.05 7.02 2.35 -1.96 -3.44 115.58 117.61 1ooa h ASN 247 Ca -0.46 -0.64 -0.50 0.00 -0.55 0.00 0.00 56.30 54.14 1ooa h ASN 247 Cb 1.23 -0.03 0.07 0.00 0.05 0.00 0.00 38.32 39.64 1ooa h ASN 247 CO 0.60 0.72 0.45 -0.76 -1.65 0.00 0.00 177.43 176.79 1ooa s LEU 248 N -8.88 3.86 -0.28 1.61 1.43 -1.26 -4.93 118.68 110.23 1ooa s LEU 248 Ca -0.16 2.23 -0.16 0.00 -1.03 0.00 0.00 54.13 55.01 1ooa s LEU 248 Cb 0.01 -4.44 0.10 0.00 0.03 0.00 0.00 46.19 41.89 1ooa s LEU 248 CO 0.70 -1.10 0.76 -0.75 0.23 0.00 0.00 176.35 176.19 1ooa s LYS 249 N -3.05 0.62 -0.34 1.70 2.20 -1.26 -4.51 119.74 115.10 1ooa s LYS 249 Ca 0.69 1.10 -0.17 0.00 -0.36 0.00 0.00 55.97 57.22 1ooa s LYS 249 Cb -0.26 0.16 -0.01 0.00 -1.51 0.00 0.00 37.83 36.21 1ooa s LYS 249 CO 0.30 -0.13 0.47 0.42 -0.36 0.00 0.00 175.35 176.05 1ooa s ILE 250 N 1.63 5.06 -0.05 5.43 1.01 -1.26 -1.57 121.20 131.45 1ooa s ILE 250 Ca -0.10 0.29 -0.09 0.00 0.00 0.00 0.00 60.65 60.76 1ooa s ILE 250 Cb -0.05 -3.92 -0.30 0.00 0.01 0.00 0.00 42.46 38.21 1ooa s ILE 250 CO -0.19 -0.17 0.66 0.58 0.00 0.00 0.00 174.94 175.83 1ooa h VAL 251 N 5.58 0.93 -1.94 2.92 2.07 -1.12 -3.49 116.25 121.20 1ooa h VAL 251 Ca -0.28 -2.54 -0.02 0.00 0.82 0.00 0.00 66.70 64.68 1ooa h VAL 251 Cb 1.13 2.73 -0.20 0.00 -1.52 0.00 0.00 31.29 33.43 1ooa h VAL 251 CO 0.75 0.85 0.28 -0.13 0.02 0.00 0.00 177.57 179.34 1ooa s ARG 252 N -2.58 0.95 -0.04 1.57 0.52 -1.09 -5.01 118.95 113.28 1ooa s ARG 252 Ca -0.15 0.19 0.02 0.00 -0.52 0.00 0.00 55.73 55.26 1ooa s ARG 252 Cb 0.06 0.45 0.01 0.00 0.52 0.00 0.00 34.95 35.99 1ooa s ARG 252 CO 0.84 -0.30 -0.06 -1.64 0.02 0.00 0.00 175.30 174.15 1ooa s MET 253 N -1.32 0.88 0.37 3.54 -1.94 -1.26 -0.78 119.30 118.79 1ooa s MET 253 Ca -0.08 -0.19 0.27 0.00 -1.71 0.00 0.00 55.69 53.98 1ooa s MET 253 Cb -0.00 -0.84 1.20 0.00 2.01 0.00 0.00 34.83 37.20 1ooa s MET 253 CO 0.07 0.01 1.82 0.38 -0.01 0.00 0.00 175.02 177.28 1ooa h ASP 254 N 6.79 0.00 -3.55 3.03 3.04 -1.67 -3.42 116.42 120.64 1ooa h ASP 254 Ca -0.35 0.00 -0.22 0.00 -3.24 0.00 0.00 57.03 53.21 1ooa h ASP 254 Cb 1.16 0.00 -0.30 0.00 -1.04 0.00 0.00 39.33 39.16 1ooa h ASP 254 CO 0.48 0.00 -0.58 -0.13 -2.04 0.00 0.00 179.24 176.98 1ooa s ARG 255 N -3.49 0.12 -0.06 4.15 0.52 -1.26 -5.01 118.95 113.92 1ooa s ARG 255 Ca 0.02 0.32 0.10 0.00 -0.52 0.00 0.00 55.73 55.65 1ooa s ARG 255 Cb 0.09 -0.09 0.21 0.00 0.52 0.00 0.00 34.95 35.69 1ooa s ARG 255 CO 0.41 -0.11 1.15 0.25 0.02 0.00 0.00 175.30 177.01 1ooa n THR 256 N 3.79 1.45 -3.67 0.02 -2.24 -1.26 -4.97 114.28 107.40 1ooa n THR 256 Ca -0.22 -1.51 -0.10 0.00 -2.27 0.00 0.00 64.05 59.95 1ooa n THR 256 Cb 0.54 0.17 -0.05 0.00 -2.10 0.00 0.00 70.33 68.89 1ooa n THR 256 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ooa s ALA 257 N -1.83 -0.85 0.04 6.98 0.00 -1.26 -1.11 121.76 123.74 1ooa s ALA 257 Ca 0.20 -0.08 -0.28 0.00 0.00 0.00 0.00 51.96 51.79 1ooa s ALA 257 Cb 0.15 0.63 0.10 0.00 0.00 0.00 0.00 23.12 24.00 1ooa s ALA 257 CO 0.05 -0.60 1.16 0.20 0.00 0.00 0.00 175.76 176.57 1ooa s GLY 258 N -2.72 -0.35 0.30 0.00 0.00 0.33 -4.91 107.32 99.98 1ooa s GLY 258 Ca 0.02 0.50 -0.28 0.00 0.00 0.00 0.00 44.72 44.96 1ooa s GLY 258 CO -0.11 0.08 1.03 0.00 0.00 0.00 0.00 173.10 174.10 1ooa h VAL 260 N 2.83 0.04 0.00 0.00 -1.51 -1.45 0.11 116.25 116.27 1ooa h VAL 260 Ca -0.47 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 64.95 1ooa h VAL 260 Cb 1.21 0.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.13 1ooa h VAL 260 CO 0.66 0.00 -0.25 0.71 -1.23 0.00 0.00 177.57 177.46 1ooa h THR 261 N 0.00 0.91 -0.18 7.19 1.35 -1.90 0.14 112.91 120.42 1ooa h THR 261 Ca 0.01 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 1ooa h THR 261 Cb 0.48 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1ooa h THR 261 CO -0.00 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.12 1ooa n GLY 262 N -0.51 -1.41 2.49 5.82 0.00 0.02 -4.44 105.19 107.17 1ooa n GLY 262 Ca -0.02 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1ooa n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ooa n GLY 263 N 0.00 0.26 3.70 -0.02 0.00 0.23 -4.90 105.19 104.46 1ooa n GLY 263 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1ooa n GLY 263 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ooa s GLU 264 N -0.95 4.29 0.28 1.61 2.02 -1.26 -4.72 118.70 119.97 1ooa s GLU 264 Ca 0.00 0.48 -0.29 0.00 0.02 0.00 0.00 54.97 55.18 1ooa s GLU 264 Cb 0.00 -3.49 -0.10 0.00 0.10 0.00 0.00 34.13 30.65 1ooa s GLU 264 CO 0.00 0.03 1.28 -2.00 0.02 0.00 0.00 175.26 174.59 1ooa s GLU 265 N 1.03 4.41 0.01 1.61 2.12 -1.26 -0.76 118.70 125.86 1ooa s GLU 265 Ca 0.26 2.10 0.00 0.00 0.36 0.00 0.00 54.97 57.69 1ooa s GLU 265 Cb -0.15 -3.13 -0.01 0.00 0.26 0.00 0.00 34.13 31.10 1ooa s GLU 265 CO 0.11 -0.15 -0.01 0.42 -0.54 0.00 0.00 175.26 175.09 1ooa s ILE 266 N -0.71 0.05 -0.25 -3.70 1.01 0.23 -4.94 121.20 112.89 1ooa s ILE 266 Ca 0.51 -0.34 -0.07 0.00 0.00 0.00 0.00 60.65 60.76 1ooa s ILE 266 Cb -0.37 -0.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.96 1ooa s ILE 266 CO 0.46 -0.18 0.05 -0.31 0.00 0.00 0.00 174.94 174.96 1ooa s TYR 267 N -0.53 3.07 -0.13 3.97 1.51 -1.26 -1.58 117.35 122.39 1ooa s TYR 267 Ca -0.06 -0.55 0.02 0.00 -1.01 0.00 0.00 57.07 55.47 1ooa s TYR 267 Cb -0.04 -2.22 -0.00 0.00 -0.11 0.00 0.00 41.96 39.59 1ooa s TYR 267 CO -0.00 -0.41 -0.19 -1.17 -1.11 0.00 0.00 175.55 172.67 1ooa s LEU 268 N 1.58 2.34 -0.23 -1.29 0.20 -0.06 -1.52 118.68 119.70 1ooa s LEU 268 Ca 0.06 -0.49 -0.10 0.00 0.69 0.00 0.00 54.13 54.29 1ooa s LEU 268 Cb -0.15 -1.50 -0.05 0.00 -0.43 0.00 0.00 46.19 44.06 1ooa s LEU 268 CO 0.02 0.13 0.14 -0.76 -0.29 0.00 0.00 176.35 175.59 1ooa s LEU 269 N 0.56 4.07 0.33 -0.68 1.43 0.04 -0.05 118.68 124.38 1ooa s LEU 269 Ca -0.11 0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.14 1ooa s LEU 269 Cb -0.16 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 1ooa s LEU 269 CO 0.04 0.09 0.18 0.00 0.23 0.00 0.00 176.35 176.89 1ooa s ASP 271 N -3.42 4.19 -0.19 0.00 1.01 -0.61 -4.42 116.67 113.23 1ooa s ASP 271 Ca 0.34 0.31 -0.37 0.00 0.71 0.00 0.00 52.55 53.55 1ooa s ASP 271 Cb 0.04 -0.71 -0.17 0.00 1.01 0.00 0.00 42.92 43.09 1ooa s ASP 271 CO 0.19 -2.02 1.11 0.29 0.21 0.00 0.00 175.17 174.94 1ooa n LYS 272 N -3.21 0.00 -3.99 8.23 4.76 -1.25 -4.69 118.16 118.00 1ooa n LYS 272 Ca 0.11 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.47 1ooa n LYS 272 Cb 0.60 -1.27 -0.09 0.00 -1.84 0.00 0.00 35.03 32.43 1ooa n LYS 272 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1ooa s VAL 273 N 1.13 0.18 -0.37 -0.18 -7.23 -0.74 -4.92 120.40 108.27 1ooa s VAL 273 Ca 0.83 -1.46 -0.14 0.00 -1.81 0.00 0.00 61.98 59.40 1ooa s VAL 273 Cb -1.17 -1.31 -0.00 0.00 0.56 0.00 0.00 36.38 34.46 1ooa s VAL 273 CO 0.58 -0.80 0.26 -1.10 -0.31 0.00 0.00 175.10 173.72 1ooa s GLN 274 N -3.58 3.26 0.42 4.82 -0.21 -1.26 -4.54 119.66 118.57 1ooa s GLN 274 Ca 0.03 -0.81 0.26 0.00 0.02 0.00 0.00 55.36 54.87 1ooa s GLN 274 Cb 0.05 -3.87 1.32 0.00 1.00 0.00 0.00 33.01 31.51 1ooa s GLN 274 CO -0.09 -0.57 1.67 1.57 -2.12 0.00 0.00 175.29 175.75 1ooa h LYS 275 N 8.54 0.18 -0.01 2.91 2.10 -1.94 0.82 116.57 129.17 1ooa h LYS 275 Ca -0.29 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1ooa h LYS 275 Cb 1.14 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1ooa h LYS 275 CO 0.67 0.12 -0.32 -0.25 -2.00 0.00 0.00 179.45 177.67 1ooa n ASP 276 N -4.67 0.83 -2.60 7.07 8.00 -1.26 -4.27 116.55 119.65 1ooa n ASP 276 Ca 0.33 -0.67 -0.21 0.00 0.71 0.00 0.00 54.79 54.95 1ooa n ASP 276 Cb 1.24 0.15 0.01 0.00 -0.02 0.00 0.00 41.12 42.50 1ooa n ASP 276 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ooa n ASP 277 N -0.93 3.48 -3.61 -2.24 4.64 0.28 -4.96 116.55 113.22 1ooa n ASP 277 Ca 0.10 -3.36 -0.15 0.00 -1.38 0.00 0.00 54.79 50.00 1ooa n ASP 277 Cb 0.34 -0.50 -0.06 0.00 -1.04 0.00 0.00 41.12 39.86 1ooa n ASP 277 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 1ooa s ILE 278 N -4.55 0.03 0.13 5.18 1.10 -1.14 -3.79 121.20 118.15 1ooa s ILE 278 Ca 0.41 -0.24 -0.18 0.00 -0.51 0.00 0.00 60.65 60.13 1ooa s ILE 278 Cb 0.41 -0.90 0.04 0.00 0.15 0.00 0.00 42.46 42.16 1ooa s ILE 278 CO -0.11 -0.13 0.44 0.00 -2.11 0.00 0.00 174.94 173.03 1ooa s GLN 279 N -1.84 1.10 -0.26 3.50 -2.07 -0.42 -4.85 119.66 114.82 1ooa s GLN 279 Ca -0.09 -0.64 -0.04 0.00 -1.82 0.00 0.00 55.36 52.78 1ooa s GLN 279 Cb -0.01 0.49 0.01 0.00 -1.09 0.00 0.00 33.01 32.41 1ooa s GLN 279 CO 0.03 -0.44 -0.01 0.42 -1.32 0.00 0.00 175.29 173.98 1ooa s ILE 280 N -3.70 3.35 -0.20 3.63 1.01 -1.26 -0.89 121.20 123.13 1ooa s ILE 280 Ca 0.02 -0.83 -0.08 0.00 0.00 0.00 0.00 60.65 59.76 1ooa s ILE 280 Cb 0.01 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 1ooa s ILE 280 CO -0.12 0.18 0.08 -0.60 0.00 0.00 0.00 174.94 174.49 1ooa s ARG 281 N 1.41 3.93 -0.16 2.79 3.52 0.71 -0.84 118.95 130.31 1ooa s ARG 281 Ca 0.02 -0.36 -0.05 0.00 -0.13 0.00 0.00 55.73 55.21 1ooa s ARG 281 Cb -0.17 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 1ooa s ARG 281 CO -0.02 0.15 0.01 -0.06 -0.81 0.00 0.00 175.30 174.58 1ooa s PHE 282 N 0.72 3.15 0.03 5.12 0.40 0.29 -0.79 117.98 126.89 1ooa s PHE 282 Ca 0.04 -0.09 -0.08 0.00 -0.60 0.00 0.00 56.93 56.20 1ooa s PHE 282 Cb -0.13 -2.01 0.00 0.00 0.51 0.00 0.00 43.02 41.39 1ooa s PHE 282 CO 0.02 0.09 0.16 1.52 0.70 0.00 0.00 175.22 177.71 1ooa s TYR 283 N 0.29 0.08 -0.04 0.36 1.13 -0.14 0.25 117.35 119.28 1ooa s TYR 283 Ca 0.00 -0.27 -0.01 0.00 -1.41 0.00 0.00 57.07 55.38 1ooa s TYR 283 Cb -0.13 -0.05 0.03 0.00 -1.10 0.00 0.00 41.96 40.70 1ooa s TYR 283 CO 0.01 -0.38 0.03 -2.00 -2.51 0.00 0.00 175.55 170.70 1ooa s GLU 284 N -2.25 0.11 -0.58 -3.49 2.12 -0.69 -1.05 118.70 112.86 1ooa s GLU 284 Ca -0.08 0.22 -0.28 0.00 0.36 0.00 0.00 54.97 55.20 1ooa s GLU 284 Cb -0.03 -0.49 0.01 0.00 0.26 0.00 0.00 34.13 33.88 1ooa s GLU 284 CO -0.02 -0.24 1.44 -1.21 -0.54 0.00 0.00 175.26 174.69 1ooa s GLU 285 N 1.57 3.24 1.30 4.30 2.02 -1.26 -1.32 118.70 128.55 1ooa s GLU 285 Ca -0.02 0.41 -0.20 0.00 0.02 0.00 0.00 54.97 55.17 1ooa s GLU 285 Cb -0.13 -4.15 0.32 0.00 0.10 0.00 0.00 34.13 30.28 1ooa s GLU 285 CO -0.03 -2.01 1.03 -1.21 0.02 0.00 0.00 175.26 173.06 1ooa s GLU 286 N 5.64 -1.97 0.29 1.61 2.02 -0.55 -4.91 118.70 120.83 1ooa s GLU 286 Ca 0.52 0.06 0.04 0.00 0.02 0.00 0.00 54.97 55.61 1ooa s GLU 286 Cb -0.11 -1.50 0.71 0.00 0.10 0.00 0.00 34.13 33.34 1ooa s GLU 286 CO 0.24 -4.23 1.74 0.93 0.02 0.00 0.00 175.26 173.96 1ooa h GLU 287 N -2.95 0.57 0.00 1.61 5.08 -1.94 -3.43 114.58 113.52 1ooa h GLU 287 Ca -0.45 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 1ooa h GLU 287 Cb 1.32 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1ooa h GLU 287 CO 0.32 0.38 -0.01 0.27 -1.00 0.00 0.00 179.01 178.98 1ooa n ASN 288 N -4.89 0.95 0.00 1.42 6.94 -1.26 -4.94 115.26 113.47 1ooa n ASN 288 Ca 0.22 -1.05 0.00 0.00 -0.02 0.00 0.00 54.58 53.73 1ooa n ASN 288 Cb 0.59 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 1ooa n ASN 288 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ooa n GLY 289 N 4.80 -0.04 3.89 4.83 0.00 -1.26 -4.71 105.19 112.70 1ooa n GLY 289 Ca -0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1ooa n GLY 289 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ooa s GLY 290 N -1.97 1.60 -0.07 -0.02 0.00 -1.26 -4.98 107.32 100.62 1ooa s GLY 290 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 44.72 44.42 1ooa s GLY 290 CO 0.00 -0.05 0.14 0.14 0.00 0.00 0.00 173.10 173.33 1ooa s VAL 291 N -2.97 -0.21 0.23 1.40 1.01 -1.26 -1.48 120.40 117.11 1ooa s VAL 291 Ca 0.52 0.35 -0.30 0.00 0.00 0.00 0.00 61.98 62.55 1ooa s VAL 291 Cb -0.11 -0.26 -0.09 0.00 0.00 0.00 0.00 36.38 35.93 1ooa s VAL 291 CO 0.49 0.15 0.96 0.86 0.00 0.00 0.00 175.10 177.56 1ooa s TRP 292 N 2.15 3.93 -0.02 5.22 -0.11 -0.44 -4.92 118.94 124.75 1ooa s TRP 292 Ca 0.02 1.88 0.02 0.00 1.22 0.00 0.00 56.10 59.25 1ooa s TRP 292 Cb -0.12 -3.02 -0.00 0.00 -1.50 0.00 0.00 33.47 28.83 1ooa s TRP 292 CO -0.05 0.32 -0.08 -2.00 -4.62 0.00 0.00 176.95 170.52 1ooa s GLU 293 N -1.07 0.73 -0.01 5.86 2.12 -1.26 -1.71 118.70 123.36 1ooa s GLU 293 Ca 0.42 -0.26 -0.09 0.00 0.36 0.00 0.00 54.97 55.40 1ooa s GLU 293 Cb -0.26 -0.71 0.01 0.00 0.26 0.00 0.00 34.13 33.43 1ooa s GLU 293 CO 0.33 0.12 0.19 0.20 -0.54 0.00 0.00 175.26 175.56 1ooa s GLY 294 N 0.04 -0.03 -0.04 -1.50 0.00 0.14 -4.99 107.32 100.94 1ooa s GLY 294 Ca -0.00 0.06 0.07 0.00 0.00 0.00 0.00 44.72 44.85 1ooa s GLY 294 CO -0.00 -0.09 -0.25 -1.36 0.00 0.00 0.00 173.10 171.41 1ooa s PHE 295 N -1.20 2.32 0.34 1.90 0.08 -1.26 0.11 117.98 120.26 1ooa s PHE 295 Ca -0.13 -0.60 -0.29 0.00 0.12 0.00 0.00 56.93 56.04 1ooa s PHE 295 Cb -0.06 -1.51 -0.11 0.00 -0.57 0.00 0.00 43.02 40.77 1ooa s PHE 295 CO 0.02 -0.15 1.40 0.20 -0.10 0.00 0.00 175.22 176.59 1ooa s GLY 296 N -0.31 2.87 -0.24 4.36 0.00 -0.02 -4.16 107.32 109.82 1ooa s GLY 296 Ca 0.01 1.39 -0.17 0.00 0.00 0.00 0.00 44.72 45.96 1ooa s GLY 296 CO 0.02 2.10 0.44 -0.35 0.00 0.00 0.00 173.10 175.32 1ooa s ASP 297 N -0.23 6.40 0.12 1.64 2.15 0.52 -4.68 116.67 122.58 1ooa s ASP 297 Ca 0.52 0.47 -0.26 0.00 0.43 0.00 0.00 52.55 53.71 1ooa s ASP 297 Cb -0.43 -2.25 0.07 0.00 -0.30 0.00 0.00 42.92 40.02 1ooa s ASP 297 CO 0.55 -0.19 1.03 0.72 -0.17 0.00 0.00 175.17 177.11 1ooa s PHE 298 N 1.90 -0.11 0.32 -5.34 -0.71 -1.26 -0.96 117.98 111.81 1ooa s PHE 298 Ca 0.19 -0.15 0.10 0.00 -1.04 0.00 0.00 56.93 56.03 1ooa s PHE 298 Cb -0.15 0.62 -0.06 0.00 -1.21 0.00 0.00 43.02 42.22 1ooa s PHE 298 CO 0.09 -0.72 -0.13 -1.12 -1.34 0.00 0.00 175.22 172.00 1ooa s SER 299 N -2.95 3.70 0.53 1.98 0.01 -1.26 -5.02 113.70 110.69 1ooa s SER 299 Ca 0.13 -1.12 0.24 0.00 1.31 0.00 0.00 55.95 56.51 1ooa s SER 299 Cb -0.00 -0.34 1.38 0.00 0.21 0.00 0.00 66.02 67.27 1ooa s SER 299 CO 0.01 -0.11 2.01 1.55 0.41 0.00 0.00 173.24 177.12 1ooa h PRO 300 N 2.11 0.00 0.00 12.44 0.13 -1.98 0.15 132.00 144.86 1ooa h PRO 300 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1ooa h PRO 300 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ooa h PRO 300 CO 0.66 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.68 1ooa n THR 301 N -4.39 0.84 0.97 1.56 -2.24 -1.26 -1.72 114.28 108.04 1ooa n THR 301 Ca 0.08 0.25 0.13 0.00 -2.27 0.00 0.00 64.05 62.24 1ooa n THR 301 Cb 0.54 -1.17 0.49 0.00 -2.10 0.00 0.00 70.33 68.09 1ooa n THR 301 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ooa n ASP 302 N -2.22 0.20 -4.58 3.42 8.00 0.52 -4.64 116.55 117.25 1ooa n ASP 302 Ca 0.02 0.27 -0.43 0.00 0.71 0.00 0.00 54.79 55.36 1ooa n ASP 302 Cb 0.22 -0.27 -0.04 0.00 -0.02 0.00 0.00 41.12 41.01 1ooa n ASP 302 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ooa s VAL 303 N -3.01 4.42 -0.56 2.53 1.01 -0.70 -2.44 120.40 121.65 1ooa s VAL 303 Ca 0.13 0.89 -0.23 0.00 0.00 0.00 0.00 61.98 62.77 1ooa s VAL 303 Cb 0.18 -4.47 0.05 0.00 0.00 0.00 0.00 36.38 32.14 1ooa s VAL 303 CO 0.59 -0.85 0.89 -2.28 0.00 0.00 0.00 175.10 173.44 1ooa s HIS 304 N 3.90 2.81 -1.41 5.22 2.46 -0.10 -4.38 115.29 123.79 1ooa s HIS 304 Ca 0.40 -0.21 -0.11 0.00 0.47 0.00 0.00 55.06 55.60 1ooa s HIS 304 Cb -0.10 -4.02 0.08 0.00 -0.13 0.00 0.00 32.58 28.41 1ooa s HIS 304 CO 0.27 -1.35 0.64 0.54 -2.47 0.00 0.00 174.74 172.37 1ooa n ARG 305 N 7.28 -3.97 -0.69 2.88 5.12 -1.26 -1.77 116.66 124.25 1ooa n ARG 305 Ca -0.01 0.53 0.00 0.00 -1.93 0.00 0.00 57.85 56.44 1ooa n ARG 305 Cb 0.47 -5.30 0.00 0.00 -1.16 0.00 0.00 32.46 26.47 1ooa n ARG 305 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1ooa n GLN 306 N -4.04 -0.52 -0.05 5.56 6.02 -1.26 -4.76 117.38 118.32 1ooa n GLN 306 Ca -0.00 0.13 0.05 0.00 -0.01 0.00 0.00 57.00 57.17 1ooa n GLN 306 Cb 0.54 -4.43 0.07 0.00 1.02 0.00 0.00 30.24 27.44 1ooa n GLN 306 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1ooa n PHE 307 N -2.03 0.00 -3.55 1.08 3.72 -0.73 -1.80 117.46 114.15 1ooa n PHE 307 Ca 0.00 -0.72 -0.07 0.00 -0.05 0.00 0.00 57.45 56.61 1ooa n PHE 307 Cb 0.13 -0.10 -0.03 0.00 -0.94 0.00 0.00 39.48 38.55 1ooa n PHE 307 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ooa s ALA 308 N -1.86 -1.93 -0.04 4.37 0.00 -1.18 -2.23 121.76 118.88 1ooa s ALA 308 Ca 0.16 1.33 -0.02 0.00 0.00 0.00 0.00 51.96 53.43 1ooa s ALA 308 Cb 0.14 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.26 1ooa s ALA 308 CO 0.01 -0.58 0.09 0.42 0.00 0.00 0.00 175.76 175.71 1ooa s ILE 309 N -2.48 -0.03 -0.25 0.00 1.01 0.93 -0.92 121.20 119.46 1ooa s ILE 309 Ca 0.05 0.10 -0.07 0.00 0.00 0.00 0.00 60.65 60.74 1ooa s ILE 309 Cb -0.01 -0.15 -0.02 0.00 0.01 0.00 0.00 42.46 42.29 1ooa s ILE 309 CO -0.06 0.04 0.06 -0.69 0.00 0.00 0.00 174.94 174.29 1ooa s VAL 310 N 0.61 4.11 0.23 2.92 1.01 -1.02 -0.89 120.40 127.37 1ooa s VAL 310 Ca -0.05 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1ooa s VAL 310 Cb -0.06 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1ooa s VAL 310 CO -0.02 0.30 0.25 0.72 0.00 0.00 0.00 175.10 176.35 1ooa s PHE 311 N 1.58 0.99 -0.06 5.22 -0.71 -0.61 -4.78 117.98 119.60 1ooa s PHE 311 Ca 0.06 -1.23 0.02 0.00 -1.04 0.00 0.00 56.93 54.74 1ooa s PHE 311 Cb -0.15 -0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 41.27 1ooa s PHE 311 CO 0.02 -0.77 -0.09 0.15 -1.34 0.00 0.00 175.22 173.19 1ooa s LYS 312 N -4.02 2.69 0.58 1.99 1.02 -0.13 0.74 119.74 122.61 1ooa s LYS 312 Ca 0.34 -0.60 -0.19 0.00 0.02 0.00 0.00 55.97 55.55 1ooa s LYS 312 Cb 0.04 -2.53 -0.04 0.00 -0.52 0.00 0.00 37.83 34.79 1ooa s LYS 312 CO 0.13 0.64 1.23 0.95 -0.92 0.00 0.00 175.35 177.37 1ooa s THR 313 N -0.75 2.57 0.62 2.17 -4.23 0.06 -0.36 115.64 115.72 1ooa s THR 313 Ca 0.12 0.37 -0.10 0.00 -1.18 0.00 0.00 61.69 60.89 1ooa s THR 313 Cb -0.11 -3.16 -0.02 0.00 1.34 0.00 0.00 72.50 70.55 1ooa s THR 313 CO 0.01 -0.06 1.01 -2.84 -0.54 0.00 0.00 174.62 172.20 1ooa s PRO 314 N -3.23 3.38 0.31 3.99 0.02 -1.26 -0.60 135.00 137.61 1ooa s PRO 314 Ca 0.76 0.57 -0.29 0.00 0.02 0.00 0.00 61.00 62.07 1ooa s PRO 314 Cb -0.32 -2.11 -0.10 0.00 0.02 0.00 0.00 34.50 31.99 1ooa s PRO 314 CO 0.35 -0.64 1.17 0.21 -0.33 0.00 0.00 177.00 177.76 1ooa s LYS 315 N -5.16 4.48 0.86 5.54 2.20 -1.26 -4.19 119.74 122.21 1ooa s LYS 315 Ca 0.55 1.93 -0.12 0.00 -0.36 0.00 0.00 55.97 57.97 1ooa s LYS 315 Cb -0.11 -3.08 0.11 0.00 -1.51 0.00 0.00 37.83 33.24 1ooa s LYS 315 CO 0.52 0.02 1.11 -0.47 -0.36 0.00 0.00 175.35 176.17 1ooa s TYR 316 N -1.19 2.60 0.13 4.03 5.04 0.48 -4.95 117.35 123.48 1ooa s TYR 316 Ca 0.47 1.05 -0.24 0.00 -2.44 0.00 0.00 57.07 55.92 1ooa s TYR 316 Cb -0.34 -3.23 -0.03 0.00 0.35 0.00 0.00 41.96 38.71 1ooa s TYR 316 CO 0.44 -2.14 1.65 -0.22 -1.34 0.00 0.00 175.55 173.94 1ooa h LYS 317 N -1.35 -0.28 -4.63 4.97 3.64 -1.95 -3.38 116.57 113.58 1ooa h LYS 317 Ca -0.49 0.02 -0.65 0.00 -1.27 0.00 0.00 60.65 58.26 1ooa h LYS 317 Cb 1.30 0.06 -0.39 0.00 -0.41 0.00 0.00 32.23 32.79 1ooa h LYS 317 CO 0.59 -0.19 -0.75 0.34 -2.27 0.00 0.00 179.45 177.17 1ooa s ASP 318 N -4.97 4.52 0.00 4.20 3.68 -1.26 -4.97 116.67 117.87 1ooa s ASP 318 Ca -0.15 -1.78 0.04 0.00 2.13 0.00 0.00 52.55 52.78 1ooa s ASP 318 Cb 0.10 -1.51 0.21 0.00 -1.45 0.00 0.00 42.92 40.27 1ooa s ASP 318 CO 0.67 -0.31 0.93 0.55 0.13 0.00 0.00 175.17 177.14 1ooa n VAL 319 N 4.39 0.00 -0.70 1.11 3.14 -1.26 -3.04 118.33 121.97 1ooa n VAL 319 Ca -0.04 0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.41 1ooa n VAL 319 Cb 0.42 -0.18 0.11 0.00 -1.06 0.00 0.00 33.84 33.13 1ooa n VAL 319 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1ooa n ASN 320 N -0.57 2.45 -4.74 6.55 5.03 -1.26 -4.79 115.26 117.93 1ooa n ASN 320 Ca 0.03 -2.71 -0.34 0.00 0.87 0.00 0.00 54.58 52.43 1ooa n ASN 320 Cb 0.01 -0.31 0.08 0.00 -1.02 0.00 0.00 39.78 38.55 1ooa n ASN 320 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1ooa s ILE 321 N -2.23 2.64 -0.04 2.41 -4.36 -1.17 -4.93 121.20 113.51 1ooa s ILE 321 Ca 0.23 0.30 0.15 0.00 -0.26 0.00 0.00 60.65 61.08 1ooa s ILE 321 Cb 0.20 -2.82 -0.24 0.00 1.25 0.00 0.00 42.46 40.85 1ooa s ILE 321 CO 0.03 -0.18 0.30 1.07 0.24 0.00 0.00 174.94 176.40 1ooa n THR 322 N -2.69 0.18 -4.37 8.37 5.66 -1.26 -4.63 114.28 115.53 1ooa n THR 322 Ca 0.12 -0.41 -0.28 0.00 -3.05 0.00 0.00 64.05 60.43 1ooa n THR 322 Cb 0.51 0.01 -0.12 0.00 -1.55 0.00 0.00 70.33 69.18 1ooa n THR 322 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1ooa s LYS 323 N -2.97 1.56 0.65 1.09 1.02 -1.26 -4.87 119.74 114.96 1ooa s LYS 323 Ca -0.06 -1.36 -0.18 0.00 0.02 0.00 0.00 55.97 54.39 1ooa s LYS 323 Cb 0.09 -1.95 -0.01 0.00 -0.52 0.00 0.00 37.83 35.44 1ooa s LYS 323 CO 0.65 0.44 1.22 -2.30 -0.92 0.00 0.00 175.35 174.44 1ooa n PRO 324 N 0.65 1.01 -4.29 -1.68 -0.02 -1.26 -4.73 135.00 124.68 1ooa n PRO 324 Ca -0.16 0.40 -0.29 0.00 -2.02 0.00 0.00 63.50 61.43 1ooa n PRO 324 Cb 0.54 -2.45 -0.17 0.00 -0.02 0.00 0.00 33.50 31.40 1ooa n PRO 324 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ooa s ALA 325 N -1.46 1.77 -0.09 3.55 0.00 0.18 -4.99 121.76 120.73 1ooa s ALA 325 Ca 0.81 -0.81 -0.22 0.00 0.00 0.00 0.00 51.96 51.74 1ooa s ALA 325 Cb -0.38 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1ooa s ALA 325 CO 0.42 -0.20 0.64 -1.12 0.00 0.00 0.00 175.76 175.50 1ooa s SER 326 N 1.19 6.89 0.00 0.00 0.01 -1.26 -1.26 113.70 119.26 1ooa s SER 326 Ca -0.02 1.07 0.00 0.00 1.31 0.00 0.00 55.95 58.31 1ooa s SER 326 Cb -0.14 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1ooa s SER 326 CO -0.05 -0.10 0.00 1.33 0.41 0.00 0.00 173.24 174.82 1ooa n VAL 327 N 3.84 0.00 -4.13 3.43 0.24 0.75 -4.97 118.33 117.49 1ooa n VAL 327 Ca -0.03 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.13 1ooa n VAL 327 Cb 0.51 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.77 1ooa n VAL 327 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1ooa s PHE 328 N -0.30 0.93 -0.01 6.34 0.08 -0.22 -1.86 117.98 122.94 1ooa s PHE 328 Ca 0.00 -0.60 0.05 0.00 0.12 0.00 0.00 56.93 56.49 1ooa s PHE 328 Cb 0.00 -0.53 -0.01 0.00 -0.57 0.00 0.00 43.02 41.91 1ooa s PHE 328 CO 0.00 -0.04 -0.16 0.08 -0.10 0.00 0.00 175.22 175.00 1ooa s VAL 329 N -2.05 1.25 0.01 -0.44 1.01 0.95 -0.97 120.40 120.18 1ooa s VAL 329 Ca -0.00 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.11 1ooa s VAL 329 Cb -0.05 -1.05 0.04 0.00 0.00 0.00 0.00 36.38 35.32 1ooa s VAL 329 CO -0.00 0.36 0.43 0.00 0.00 0.00 0.00 175.10 175.89 1ooa s GLN 330 N -0.34 0.88 0.31 2.72 -2.07 0.03 -0.80 119.66 120.39 1ooa s GLN 330 Ca 0.05 -0.21 -0.15 0.00 -1.82 0.00 0.00 55.36 53.24 1ooa s GLN 330 Cb -0.06 0.40 -0.09 0.00 -1.09 0.00 0.00 33.01 32.17 1ooa s GLN 330 CO -0.00 -0.28 0.72 -0.51 -1.32 0.00 0.00 175.29 173.89 1ooa s LEU 331 N -1.69 4.08 -0.11 2.60 1.43 -1.26 -0.21 118.68 123.53 1ooa s LEU 331 Ca -0.08 1.26 -0.09 0.00 -1.03 0.00 0.00 54.13 54.19 1ooa s LEU 331 Cb -0.02 -4.03 0.03 0.00 0.03 0.00 0.00 46.19 42.21 1ooa s LEU 331 CO 0.01 -0.18 0.29 -0.60 0.23 0.00 0.00 176.35 176.10 1ooa s ARG 332 N -2.92 0.31 -0.14 1.70 3.52 -0.07 -1.80 118.95 119.55 1ooa s ARG 332 Ca 0.53 0.46 -0.24 0.00 -0.13 0.00 0.00 55.73 56.35 1ooa s ARG 332 Cb -0.11 0.08 -0.02 0.00 -1.56 0.00 0.00 34.95 33.34 1ooa s ARG 332 CO 0.18 -0.08 0.75 0.50 -0.81 0.00 0.00 175.30 175.84 1ooa s ARG 333 N 0.51 4.33 0.25 5.12 3.52 0.45 -1.29 118.95 131.84 1ooa s ARG 333 Ca -0.03 0.90 -0.05 0.00 -0.13 0.00 0.00 55.73 56.43 1ooa s ARG 333 Cb -0.04 -3.53 0.29 0.00 -1.56 0.00 0.00 34.95 30.10 1ooa s ARG 333 CO -0.03 -0.18 1.86 0.87 -0.81 0.00 0.00 175.30 177.02 1ooa h LYS 334 N 7.17 1.14 0.00 5.12 1.57 -1.89 0.12 116.57 129.80 1ooa h LYS 334 Ca -0.34 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1ooa h LYS 334 Cb 1.16 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1ooa h LYS 334 CO 0.80 0.86 0.00 0.45 -0.57 0.00 0.00 179.45 180.98 1ooa n SER 335 N -4.33 0.00 -0.96 0.86 2.88 -1.26 -3.98 113.62 106.83 1ooa n SER 335 Ca 0.08 0.88 0.08 0.00 -1.33 0.00 0.00 58.87 58.58 1ooa n SER 335 Cb 0.12 -0.38 0.23 0.00 -0.75 0.00 0.00 64.21 63.43 1ooa n SER 335 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1ooa n ASP 336 N -1.95 3.47 -1.87 -3.46 5.75 -1.25 -4.98 116.55 112.26 1ooa n ASP 336 Ca 0.00 -2.11 -0.18 0.00 -0.01 0.00 0.00 54.79 52.49 1ooa n ASP 336 Cb 0.00 -0.36 -0.05 0.00 -1.03 0.00 0.00 41.12 39.68 1ooa n ASP 336 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1ooa n LEU 337 N 0.84 -1.48 -4.78 -2.12 4.77 0.40 -4.96 117.00 109.68 1ooa n LEU 337 Ca 0.17 0.30 -0.36 0.00 -0.03 0.00 0.00 56.01 56.09 1ooa n LEU 337 Cb 0.56 -2.63 -0.01 0.00 -2.33 0.00 0.00 43.42 39.01 1ooa n LEU 337 CO 0.12 -0.66 0.79 -0.70 -1.33 0.00 0.00 177.39 175.62 1ooa s GLU 338 N -4.13 3.65 0.21 3.23 2.12 -1.24 -4.70 118.70 117.84 1ooa s GLU 338 Ca 0.00 1.66 0.04 0.00 0.36 0.00 0.00 54.97 57.02 1ooa s GLU 338 Cb 0.00 -2.24 -0.05 0.00 0.26 0.00 0.00 34.13 32.10 1ooa s GLU 338 CO 0.00 -0.61 -0.02 0.95 -0.54 0.00 0.00 175.26 175.04 1ooa s THR 339 N -1.67 1.03 0.37 -1.70 -4.23 -1.26 -0.41 115.64 107.76 1ooa s THR 339 Ca 0.67 -2.04 0.05 0.00 -1.18 0.00 0.00 61.69 59.19 1ooa s THR 339 Cb -0.25 -2.25 -0.01 0.00 1.34 0.00 0.00 72.50 71.33 1ooa s THR 339 CO 0.30 -0.40 0.53 -0.94 -0.54 0.00 0.00 174.62 173.57 1ooa s SER 340 N -3.27 5.91 0.46 3.99 1.04 -0.75 -4.64 113.70 116.44 1ooa s SER 340 Ca 0.26 -0.07 -0.25 0.00 0.48 0.00 0.00 55.95 56.38 1ooa s SER 340 Cb 0.05 -1.28 -0.08 0.00 0.10 0.00 0.00 66.02 64.81 1ooa s SER 340 CO 0.07 -0.53 1.39 -1.61 0.98 0.00 0.00 173.24 173.54 1ooa s GLU 341 N -4.29 3.64 0.78 4.02 2.02 -1.26 -4.62 118.70 118.99 1ooa s GLU 341 Ca 0.46 2.32 -0.11 0.00 0.02 0.00 0.00 54.97 57.67 1ooa s GLU 341 Cb -0.10 -2.60 0.06 0.00 0.10 0.00 0.00 34.13 31.60 1ooa s GLU 341 CO 0.33 -0.82 1.09 -1.25 0.02 0.00 0.00 175.26 174.63 1ooa s PRO 342 N -2.50 2.22 0.02 0.39 0.04 -1.26 -4.79 135.00 129.11 1ooa s PRO 342 Ca 0.62 1.11 0.05 0.00 0.04 0.00 0.00 61.00 62.82 1ooa s PRO 342 Cb -0.42 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 1ooa s PRO 342 CO 0.53 -1.65 -0.14 0.15 0.04 0.00 0.00 177.00 175.92 1ooa s LYS 343 N -4.92 1.01 0.36 4.56 -0.14 0.02 -4.93 119.74 115.71 1ooa s LYS 343 Ca 0.61 -0.67 -0.26 0.00 -1.36 0.00 0.00 55.97 54.29 1ooa s LYS 343 Cb -0.17 -1.01 -0.09 0.00 -1.68 0.00 0.00 37.83 34.88 1ooa s LYS 343 CO 0.56 0.26 1.11 -1.25 -0.76 0.00 0.00 175.35 175.27 1ooa s PRO 344 N -0.84 4.27 -0.01 -1.68 0.04 -1.26 -0.03 135.00 135.49 1ooa s PRO 344 Ca 0.03 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1ooa s PRO 344 Cb -0.07 -2.80 0.01 0.00 0.04 0.00 0.00 34.50 31.68 1ooa s PRO 344 CO 0.01 -0.10 -0.01 0.12 0.04 0.00 0.00 177.00 177.06 1ooa s PHE 345 N -1.41 0.18 -0.26 0.56 5.36 -0.78 -4.82 117.98 116.82 1ooa s PHE 345 Ca 0.53 -0.01 -0.05 0.00 -0.96 0.00 0.00 56.93 56.44 1ooa s PHE 345 Cb -0.29 -0.19 0.00 0.00 -0.34 0.00 0.00 43.02 42.21 1ooa s PHE 345 CO 0.36 -0.04 0.02 -1.17 -1.46 0.00 0.00 175.22 172.94 1ooa s LEU 346 N 0.30 3.45 -0.11 6.12 2.96 -0.27 -0.18 118.68 130.96 1ooa s LEU 346 Ca -0.03 -0.62 -0.16 0.00 -0.22 0.00 0.00 54.13 53.10 1ooa s LEU 346 Cb -0.05 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 1ooa s LEU 346 CO -0.01 -0.12 0.39 -0.31 -1.32 0.00 0.00 176.35 174.98 1ooa s TYR 347 N 1.47 3.54 0.23 5.38 2.02 -0.39 -0.51 117.35 129.09 1ooa s TYR 347 Ca 0.03 0.80 0.11 0.00 -0.37 0.00 0.00 57.07 57.64 1ooa s TYR 347 Cb -0.16 -2.42 -0.05 0.00 -0.40 0.00 0.00 41.96 38.94 1ooa s TYR 347 CO -0.00 0.30 -0.20 1.52 -1.57 0.00 0.00 175.55 175.60 1ooa s TYR 348 N 0.20 2.13 0.92 2.71 -0.85 0.26 -0.65 117.35 122.06 1ooa s TYR 348 Ca 0.22 -0.40 -0.13 0.00 -0.52 0.00 0.00 57.07 56.25 1ooa s TYR 348 Cb -0.15 -0.98 0.14 0.00 0.38 0.00 0.00 41.96 41.36 1ooa s TYR 348 CO 0.09 0.55 1.14 -1.25 -1.52 0.00 0.00 175.55 174.56 1ooa s PRO 349 N -3.24 1.08 0.00 -3.49 0.04 -1.26 -1.15 135.00 126.97 1ooa s PRO 349 Ca 0.25 0.26 0.21 0.00 0.04 0.00 0.00 61.00 61.75 1ooa s PRO 349 Cb -0.05 -1.83 0.17 0.00 0.04 0.00 0.00 34.50 32.82 1ooa s PRO 349 CO 0.11 -2.23 1.17 -0.85 0.04 0.00 0.00 177.00 175.24