#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d83 s ARG 5 N 0.00 4.28 0.91 3.44 3.52 -1.26 -5.05 118.95 124.80 3d83 s ARG 5 Ca 0.00 0.87 -0.11 0.00 -0.13 0.00 0.00 55.73 56.36 3d83 s ARG 5 Cb 0.00 -3.56 0.14 0.00 -1.56 0.00 0.00 34.95 29.97 3d83 s ARG 5 CO 0.00 -0.25 1.10 -1.25 -0.81 0.00 0.00 175.30 174.09 3d83 s PRO 6 N 1.91 1.13 0.14 5.12 0.04 -1.26 -5.02 135.00 137.06 3d83 s PRO 6 Ca 0.35 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 3d83 s PRO 6 Cb -0.16 -1.77 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 3d83 s PRO 6 CO 0.12 -2.44 0.98 0.99 0.04 0.00 0.00 177.00 176.69 3d83 s THR 7 N -2.76 4.34 0.03 1.26 2.01 -1.26 -5.01 115.64 114.25 3d83 s THR 7 Ca 0.65 2.02 0.01 0.00 0.31 0.00 0.00 61.69 64.67 3d83 s THR 7 Cb -0.20 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 67.98 3d83 s THR 7 CO 0.58 0.35 0.07 -0.36 -0.69 0.00 0.00 174.62 174.57 3d83 s PHE 8 N -0.25 3.23 0.20 4.92 0.40 -1.26 -1.61 117.98 123.61 3d83 s PHE 8 Ca 0.46 0.15 0.09 0.00 -0.60 0.00 0.00 56.93 57.03 3d83 s PHE 8 Cb -0.25 -1.69 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 3d83 s PHE 8 CO 0.31 0.53 -0.19 1.52 0.70 0.00 0.00 175.22 178.09 3d83 s TYR 9 N -1.25 1.96 0.05 0.36 1.13 -0.08 -4.90 117.35 114.62 3d83 s TYR 9 Ca 0.25 -0.45 0.03 0.00 -1.41 0.00 0.00 57.07 55.49 3d83 s TYR 9 Cb -0.12 -0.93 -0.04 0.00 -1.10 0.00 0.00 41.96 39.77 3d83 s TYR 9 CO 0.16 0.44 0.04 1.03 -2.51 0.00 0.00 175.55 174.71 3d83 s ARG 10 N -3.10 2.80 -0.03 -3.49 0.52 -1.26 -1.96 118.95 112.43 3d83 s ARG 10 Ca 0.21 -0.68 -0.30 0.00 -0.52 0.00 0.00 55.73 54.43 3d83 s ARG 10 Cb -0.05 -2.68 0.08 0.00 0.52 0.00 0.00 34.95 32.81 3d83 s ARG 10 CO 0.09 0.58 0.70 1.14 0.02 0.00 0.00 175.30 177.83 3d83 s GLN 11 N -2.10 1.05 -0.23 3.54 -2.07 -0.53 -5.00 119.66 114.31 3d83 s GLN 11 Ca 0.25 0.15 -0.10 0.00 -1.82 0.00 0.00 55.36 53.84 3d83 s GLN 11 Cb -0.12 0.49 -0.05 0.00 -1.09 0.00 0.00 33.01 32.24 3d83 s GLN 11 CO 0.17 -0.35 0.15 -2.00 -1.32 0.00 0.00 175.29 171.94 3d83 s GLU 12 N -1.54 4.06 -0.20 9.60 2.12 -1.26 -0.14 118.70 131.33 3d83 s GLU 12 Ca -0.08 -0.28 -0.01 0.00 0.36 0.00 0.00 54.97 54.96 3d83 s GLU 12 Cb -0.00 -3.50 0.06 0.00 0.26 0.00 0.00 34.13 30.95 3d83 s GLU 12 CO 0.06 0.09 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.34 3d83 s LEU 13 N 0.97 1.81 -0.94 2.70 1.43 -0.08 -4.87 118.68 119.71 3d83 s LEU 13 Ca 0.07 -0.91 -0.06 0.00 -1.03 0.00 0.00 54.13 52.20 3d83 s LEU 13 Cb -0.13 -0.89 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 3d83 s LEU 13 CO 0.04 -0.25 0.79 0.59 0.23 0.00 0.00 176.35 177.75 3d83 n ASN 14 N 4.86 -6.71 -4.11 2.29 5.03 -1.26 -3.17 115.26 112.19 3d83 n ASN 14 Ca -0.11 -0.55 -0.34 0.00 0.87 0.00 0.00 54.58 54.45 3d83 n ASN 14 Cb 0.46 -4.66 -0.05 0.00 -1.02 0.00 0.00 39.78 34.51 3d83 n ASN 14 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3d83 n LYS 15 N -2.83 -1.72 -4.03 3.52 5.02 -1.26 -4.94 118.16 111.92 3d83 n LYS 15 Ca -0.07 0.20 -0.20 0.00 -2.02 0.00 0.00 58.31 56.22 3d83 n LYS 15 Cb 0.58 -4.81 -0.17 0.00 -0.02 0.00 0.00 35.03 30.61 3d83 n LYS 15 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3d83 s THR 16 N -3.06 0.40 -0.02 -0.18 2.01 -1.19 -5.14 115.64 108.47 3d83 s THR 16 Ca 0.67 -0.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.36 3d83 s THR 16 Cb -0.39 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 3d83 s THR 16 CO 0.83 0.21 1.04 -0.63 -0.69 0.00 0.00 174.62 175.38 3d83 s ILE 17 N 1.14 4.66 -0.16 1.82 -1.09 -1.26 -0.91 121.20 125.40 3d83 s ILE 17 Ca -0.08 1.92 -0.00 0.00 -2.23 0.00 0.00 60.65 60.26 3d83 s ILE 17 Cb -0.14 -4.23 -0.00 0.00 -1.58 0.00 0.00 42.46 36.51 3d83 s ILE 17 CO -0.01 0.10 -0.14 0.26 -1.23 0.00 0.00 174.94 173.92 3d83 s TRP 18 N 1.35 2.81 -0.29 3.97 0.52 0.80 -4.98 118.94 123.12 3d83 s TRP 18 Ca 0.53 -0.99 0.02 0.00 0.02 0.00 0.00 56.10 55.67 3d83 s TRP 18 Cb -0.22 -1.91 0.08 0.00 -1.15 0.00 0.00 33.47 30.27 3d83 s TRP 18 CO 0.25 -0.46 -0.01 -2.00 0.02 0.00 0.00 176.95 174.75 3d83 s GLU 19 N 0.85 1.63 0.10 4.98 2.12 -1.26 -1.46 118.70 125.66 3d83 s GLU 19 Ca -0.04 -1.41 0.04 0.00 0.36 0.00 0.00 54.97 53.92 3d83 s GLU 19 Cb -0.15 -2.82 -0.04 0.00 0.26 0.00 0.00 34.13 31.38 3d83 s GLU 19 CO -0.00 -0.76 -0.10 0.14 -0.54 0.00 0.00 175.26 174.00 3d83 s VAL 20 N 1.17 0.95 0.49 3.70 -7.23 -0.83 -4.65 120.40 114.01 3d83 s VAL 20 Ca 0.01 -1.66 -0.24 0.00 -1.81 0.00 0.00 61.98 58.29 3d83 s VAL 20 Cb -0.19 -1.38 -0.07 0.00 0.56 0.00 0.00 36.38 35.30 3d83 s VAL 20 CO -0.09 -0.56 1.36 -2.65 -0.31 0.00 0.00 175.10 172.85 3d83 n PRO 21 N 0.53 1.93 -0.27 4.82 -0.02 -1.26 -0.90 135.00 139.83 3d83 n PRO 21 Ca -0.16 0.70 0.29 0.00 -2.02 0.00 0.00 63.50 62.31 3d83 n PRO 21 Cb 0.58 -2.56 0.67 0.00 -0.02 0.00 0.00 33.50 32.18 3d83 n PRO 21 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3d83 h GLU 22 N 1.85 0.11 -0.35 -0.52 5.08 -1.65 -1.39 114.58 117.71 3d83 h GLU 22 Ca -0.50 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 57.94 3d83 h GLU 22 Cb 1.29 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 3d83 h GLU 22 CO 0.59 0.07 0.25 0.07 -1.00 0.00 0.00 179.01 178.99 3d83 h ARG 23 N 0.11 0.07 -5.72 2.33 0.11 -1.90 -3.39 114.38 105.98 3d83 h ARG 23 Ca 0.52 -0.00 -0.62 0.00 0.10 0.00 0.00 59.98 59.98 3d83 h ARG 23 Cb 1.85 -0.02 -0.12 0.00 1.11 0.00 0.00 29.97 32.80 3d83 h ARG 23 CO -0.08 0.05 0.32 0.71 0.10 0.00 0.00 179.97 181.07 3d83 s TYR 24 N -5.10 3.09 0.21 4.08 2.02 -0.53 -1.10 117.35 120.03 3d83 s TYR 24 Ca -0.05 0.40 0.11 0.00 -0.37 0.00 0.00 57.07 57.15 3d83 s TYR 24 Cb 0.19 -3.42 -0.04 0.00 -0.40 0.00 0.00 41.96 38.28 3d83 s TYR 24 CO 0.71 -0.78 -0.17 -0.65 -1.57 0.00 0.00 175.55 173.09 3d83 s GLN 25 N 3.07 1.77 -0.88 -0.62 -1.52 -0.49 -4.83 119.66 116.16 3d83 s GLN 25 Ca 0.29 -1.49 -0.03 0.00 -1.95 0.00 0.00 55.36 52.19 3d83 s GLN 25 Cb -0.13 -1.95 0.00 0.00 -0.22 0.00 0.00 33.01 30.71 3d83 s GLN 25 CO 0.18 0.39 0.76 0.09 -0.25 0.00 0.00 175.29 176.46 3d83 n ASN 26 N -0.06 -3.46 -4.72 5.90 3.02 -1.26 -0.27 115.26 114.41 3d83 n ASN 26 Ca -0.10 -0.40 -0.42 0.00 -0.03 0.00 0.00 54.58 53.63 3d83 n ASN 26 Cb 0.57 -3.68 -0.03 0.00 -0.61 0.00 0.00 39.78 36.03 3d83 n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3d83 s LEU 27 N -5.19 4.37 -0.05 3.41 1.02 -1.26 -4.39 118.68 116.59 3d83 s LEU 27 Ca 0.19 2.62 -0.02 0.00 0.02 0.00 0.00 54.13 56.94 3d83 s LEU 27 Cb -0.09 -3.59 0.03 0.00 0.02 0.00 0.00 46.19 42.57 3d83 s LEU 27 CO 0.51 -0.84 0.08 -0.55 0.02 0.00 0.00 176.35 175.56 3d83 s SER 28 N 1.25 1.14 0.21 2.29 0.15 0.17 -4.96 113.70 113.95 3d83 s SER 28 Ca 0.71 0.08 -0.32 0.00 0.70 0.00 0.00 55.95 57.12 3d83 s SER 28 Cb -0.44 -0.08 -0.13 0.00 -1.71 0.00 0.00 66.02 63.67 3d83 s SER 28 CO 0.31 -0.25 1.65 -2.65 1.20 0.00 0.00 173.24 173.50 3d83 n PRO 29 N 5.30 2.55 0.00 5.44 -0.02 -1.26 -0.68 135.00 146.34 3d83 n PRO 29 Ca -0.03 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3d83 n PRO 29 Cb 0.50 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 3d83 n PRO 29 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3d83 n VAL 30 N 3.42 0.00 0.00 -1.45 0.24 0.28 -4.84 118.33 115.99 3d83 n VAL 30 Ca 0.15 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 3d83 n VAL 30 Cb 0.33 1.14 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 3d83 n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3d83 n GLY 31 N 0.37 1.13 3.19 7.63 0.00 -1.13 -4.96 105.19 111.42 3d83 n GLY 31 Ca 0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 3d83 n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d83 s SER 32 N 0.00 -0.23 0.31 1.61 0.15 -1.26 0.49 113.70 114.77 3d83 s SER 32 Ca 0.00 0.33 -0.18 0.00 0.70 0.00 0.00 55.95 56.80 3d83 s SER 32 Cb 0.00 0.46 0.07 0.00 -1.71 0.00 0.00 66.02 64.84 3d83 s SER 32 CO 0.00 -0.25 0.90 -0.83 1.20 0.00 0.00 173.24 174.26 3d83 s GLY 33 N -0.53 0.30 0.56 9.45 0.00 0.70 -4.99 107.32 112.81 3d83 s GLY 33 Ca -0.06 -0.62 0.28 0.00 0.00 0.00 0.00 44.72 44.31 3d83 s GLY 33 CO 0.02 0.98 1.97 0.00 0.00 0.00 0.00 173.10 176.07 3d83 h ALA 34 N 2.00 2.33 -0.17 3.20 0.00 -1.83 -2.29 119.26 122.50 3d83 h ALA 34 Ca -0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3d83 h ALA 34 Cb 1.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3d83 h ALA 34 CO 0.40 -0.67 0.00 0.66 0.00 0.00 0.00 179.25 179.64 3d83 n TYR 35 N -4.06 0.21 0.00 0.00 4.01 0.58 -4.74 117.16 113.17 3d83 n TYR 35 Ca 0.09 -0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 3d83 n TYR 35 Cb 0.62 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 3d83 n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3d83 n GLY 36 N 0.86 2.25 3.09 2.72 0.00 -0.86 -2.50 105.19 110.76 3d83 n GLY 36 Ca 0.11 -1.03 -0.19 0.00 0.00 0.00 0.00 46.02 44.91 3d83 n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d83 s SER 37 N 0.00 1.40 -0.03 1.61 0.01 -0.76 -0.21 113.70 115.71 3d83 s SER 37 Ca 0.00 -0.35 0.06 0.00 1.31 0.00 0.00 55.95 56.97 3d83 s SER 37 Cb 0.00 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 3d83 s SER 37 CO 0.00 0.05 -0.21 -0.69 0.41 0.00 0.00 173.24 172.80 3d83 s VAL 38 N -0.65 1.72 -0.02 3.43 1.01 0.18 -1.27 120.40 124.80 3d83 s VAL 38 Ca 0.01 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.16 3d83 s VAL 38 Cb -0.06 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 3d83 s VAL 38 CO 0.00 0.49 -0.23 0.00 0.00 0.00 0.00 175.10 175.36 3d83 s ALA 40 N -0.50 3.21 0.23 0.00 0.00 0.15 -0.67 121.76 124.18 3d83 s ALA 40 Ca 0.08 0.74 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 3d83 s ALA 40 Cb -0.09 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 3d83 s ALA 40 CO -0.01 -0.14 0.41 0.00 0.00 0.00 0.00 175.76 176.02 3d83 s ALA 41 N -1.47 -0.05 -0.22 0.00 0.00 -0.44 -0.65 121.76 118.92 3d83 s ALA 41 Ca 0.52 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 51.47 3d83 s ALA 41 Cb -0.25 1.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.94 3d83 s ALA 41 CO 0.32 -0.79 -0.03 0.12 0.00 0.00 0.00 175.76 175.38 3d83 s PHE 42 N -4.03 2.97 -0.66 0.00 5.36 0.63 -1.63 117.98 120.63 3d83 s PHE 42 Ca 0.24 -0.86 -0.24 0.00 -0.96 0.00 0.00 56.93 55.11 3d83 s PHE 42 Cb 0.01 -2.12 0.06 0.00 -0.34 0.00 0.00 43.02 40.63 3d83 s PHE 42 CO 0.08 -0.52 1.02 0.34 -1.46 0.00 0.00 175.22 174.69 3d83 s ASP 43 N 1.48 6.19 0.45 6.13 2.15 -0.45 -1.40 116.67 131.22 3d83 s ASP 43 Ca 0.06 -0.81 0.31 0.00 0.43 0.00 0.00 52.55 52.53 3d83 s ASP 43 Cb -0.14 -2.45 1.44 0.00 -0.30 0.00 0.00 42.92 41.47 3d83 s ASP 43 CO -0.02 -1.50 1.93 0.71 -0.17 0.00 0.00 175.17 176.12 3d83 h THR 44 N 5.99 0.00 0.03 1.71 1.35 -1.43 0.22 112.91 120.78 3d83 h THR 44 Ca -0.28 -0.24 -0.22 0.00 -0.55 0.00 0.00 66.41 65.11 3d83 h THR 44 Cb 1.07 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3d83 h THR 44 CO 1.19 0.00 -0.98 0.50 -0.25 0.00 0.00 175.52 175.98 3d83 h LYS 45 N 0.00 0.26 0.00 4.72 1.63 -1.91 -3.35 116.57 117.92 3d83 h LYS 45 Ca 0.00 -0.32 0.00 0.00 -0.85 0.00 0.00 60.65 59.48 3d83 h LYS 45 Cb 0.28 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 3d83 h LYS 45 CO 0.00 1.06 -0.96 0.25 -3.45 0.00 0.00 179.45 176.35 3d83 n THR 46 N -3.64 0.00 -1.26 1.00 -2.24 -1.05 -5.00 114.28 102.09 3d83 n THR 46 Ca -0.05 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.39 3d83 n THR 46 Cb 0.87 0.68 -0.04 0.00 -2.10 0.00 0.00 70.33 69.74 3d83 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d83 n GLY 47 N 1.50 1.08 3.86 3.38 0.00 0.04 -5.03 105.19 110.02 3d83 n GLY 47 Ca 0.00 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 3d83 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d83 s LEU 48 N -2.06 4.31 -0.10 0.99 1.43 -1.21 -4.94 118.68 117.10 3d83 s LEU 48 Ca 0.00 0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 53.24 3d83 s LEU 48 Cb 0.00 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 3d83 s LEU 48 CO 0.00 0.41 1.44 -0.13 0.23 0.00 0.00 176.35 178.29 3d83 s ARG 49 N -1.02 4.22 0.24 1.70 3.00 -1.26 -1.34 118.95 124.48 3d83 s ARG 49 Ca 0.15 1.91 0.10 0.00 0.00 0.00 0.00 55.73 57.89 3d83 s ARG 49 Cb -0.12 -3.83 -0.05 0.00 0.00 0.00 0.00 34.95 30.95 3d83 s ARG 49 CO 0.04 -0.75 -0.18 0.14 0.00 0.00 0.00 175.30 174.56 3d83 s VAL 50 N 3.57 2.16 -0.12 3.52 -7.23 -0.65 -1.56 120.40 120.10 3d83 s VAL 50 Ca 0.63 -2.30 -0.03 0.00 -1.81 0.00 0.00 61.98 58.47 3d83 s VAL 50 Cb -0.28 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.46 3d83 s VAL 50 CO 0.22 -0.47 -0.02 0.00 -0.31 0.00 0.00 175.10 174.53 3d83 s ALA 51 N -2.65 3.15 -0.19 1.32 0.00 0.05 -1.32 121.76 122.12 3d83 s ALA 51 Ca 0.26 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.41 3d83 s ALA 51 Cb -0.03 -1.52 0.02 0.00 0.00 0.00 0.00 23.12 21.58 3d83 s ALA 51 CO 0.11 0.40 -0.17 0.08 0.00 0.00 0.00 175.76 176.18 3d83 s VAL 52 N -0.26 2.21 -0.25 0.00 1.01 0.16 -1.43 120.40 121.84 3d83 s VAL 52 Ca 0.05 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 60.98 3d83 s VAL 52 Cb -0.12 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 3d83 s VAL 52 CO 0.02 0.46 0.08 -0.75 0.00 0.00 0.00 175.10 174.91 3d83 s LYS 53 N 1.29 3.69 -0.37 2.72 2.20 0.46 -1.36 119.74 128.36 3d83 s LYS 53 Ca 0.03 -0.46 -0.17 0.00 -0.36 0.00 0.00 55.97 55.02 3d83 s LYS 53 Cb -0.14 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 3d83 s LYS 53 CO -0.11 -0.17 0.43 0.21 -0.36 0.00 0.00 175.35 175.35 3d83 s LYS 54 N 1.57 3.43 0.26 4.03 2.20 -0.40 -0.90 119.74 129.93 3d83 s LYS 54 Ca 0.06 -0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 54.92 3d83 s LYS 54 Cb -0.15 -3.86 -0.10 0.00 -1.51 0.00 0.00 37.83 32.21 3d83 s LYS 54 CO 0.04 -0.67 1.41 -0.51 -0.36 0.00 0.00 175.35 175.27 3d83 s LEU 55 N 2.17 4.39 -0.23 5.43 1.43 -0.82 -1.83 118.68 129.22 3d83 s LEU 55 Ca 0.14 2.66 -0.20 0.00 -1.03 0.00 0.00 54.13 55.70 3d83 s LEU 55 Cb -0.16 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.41 3d83 s LEU 55 CO 0.13 -0.67 0.63 -0.55 0.23 0.00 0.00 176.35 176.12 3d83 s SER 56 N 0.22 6.62 -1.17 2.29 0.15 -1.04 -4.44 113.70 116.33 3d83 s SER 56 Ca 0.57 0.75 -0.17 0.00 0.70 0.00 0.00 55.95 57.80 3d83 s SER 56 Cb -0.41 -2.34 -0.01 0.00 -1.71 0.00 0.00 66.02 61.55 3d83 s SER 56 CO 0.45 -0.34 0.76 0.54 1.20 0.00 0.00 173.24 175.86 3d83 n ARG 57 N 5.48 -1.66 0.28 5.44 5.12 -1.26 -4.71 116.66 125.34 3d83 n ARG 57 Ca -0.01 0.48 0.15 0.00 -1.93 0.00 0.00 57.85 56.54 3d83 n ARG 57 Cb 0.49 -4.30 0.81 0.00 -1.16 0.00 0.00 32.46 28.29 3d83 n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3d83 h PRO 58 N -1.85 0.00 0.00 5.56 0.13 -1.83 -3.23 132.00 130.78 3d83 h PRO 58 Ca -0.66 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.43 3d83 h PRO 58 Cb 1.36 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.39 3d83 h PRO 58 CO 0.50 0.08 -0.59 1.19 -0.23 0.00 0.00 178.00 178.95 3d83 n PHE 59 N -3.52 0.00 0.33 1.56 3.72 -1.26 -2.75 117.46 115.54 3d83 n PHE 59 Ca -0.02 -1.11 0.12 0.00 -0.05 0.00 0.00 57.45 56.39 3d83 n PHE 59 Cb 0.21 -0.20 0.21 0.00 -0.94 0.00 0.00 39.48 38.76 3d83 n PHE 59 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 3d83 h GLN 60 N 0.84 0.00 -3.92 -1.08 3.07 -1.92 -3.46 115.11 108.64 3d83 h GLN 60 Ca -0.06 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.57 3d83 h GLN 60 Cb 1.26 0.00 -0.12 0.00 0.08 0.00 0.00 27.48 28.70 3d83 h GLN 60 CO 0.03 0.00 -0.30 -1.54 0.09 0.00 0.00 178.83 177.10 3d83 s SER 61 N -5.63 0.02 0.11 0.06 1.04 -1.26 -5.02 113.70 103.02 3d83 s SER 61 Ca 0.07 -0.97 -0.26 0.00 0.48 0.00 0.00 55.95 55.27 3d83 s SER 61 Cb 0.08 0.47 -0.08 0.00 0.10 0.00 0.00 66.02 66.59 3d83 s SER 61 CO 0.66 -0.96 1.65 0.40 0.98 0.00 0.00 173.24 175.98 3d83 h ILE 62 N 2.46 0.50 -0.74 -1.02 2.04 -1.94 -0.69 117.51 118.13 3d83 h ILE 62 Ca -0.31 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.67 3d83 h ILE 62 Cb 1.24 0.50 -0.13 0.00 -0.74 0.00 0.00 36.82 37.70 3d83 h ILE 62 CO 0.45 0.00 -0.41 0.40 0.00 0.00 0.00 178.15 178.59 3d83 h ILE 63 N -0.39 0.08 -0.64 -0.67 1.08 -1.97 0.12 117.51 115.13 3d83 h ILE 63 Ca 0.04 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.46 3d83 h ILE 63 Cb 0.43 0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 34.23 3d83 h ILE 63 CO -0.15 0.00 0.21 0.45 -0.69 0.00 0.00 178.15 177.97 3d83 h HIS 64 N -0.12 1.02 -0.55 1.37 3.86 -1.81 -2.15 115.15 116.76 3d83 h HIS 64 Ca 0.24 -0.10 -0.09 0.00 -1.16 0.00 0.00 60.37 59.26 3d83 h HIS 64 Cb 0.56 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 3d83 h HIS 64 CO -0.76 0.83 -0.02 0.00 0.86 0.00 0.00 177.93 178.83 3d83 h ALA 65 N 1.08 0.74 -0.64 2.45 0.00 -0.52 -0.94 119.26 121.43 3d83 h ALA 65 Ca 0.21 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3d83 h ALA 65 Cb 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3d83 h ALA 65 CO -0.01 0.59 0.06 -0.22 0.00 0.00 0.00 179.25 179.67 3d83 h LYS 66 N 0.87 1.10 -0.49 0.00 3.64 -0.74 -2.25 116.57 118.69 3d83 h LYS 66 Ca 0.15 -0.32 -0.05 0.00 -1.27 0.00 0.00 60.65 59.16 3d83 h LYS 66 Cb 0.57 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 3d83 h LYS 66 CO 0.03 1.03 0.09 -0.09 -2.27 0.00 0.00 179.45 178.24 3d83 h ARG 67 N 1.01 0.75 0.06 1.90 2.43 -1.17 0.20 114.38 119.57 3d83 h ARG 67 Ca 0.19 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3d83 h ARG 67 Cb 0.50 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3d83 h ARG 67 CO 0.02 0.71 -0.03 1.15 -1.51 0.00 0.00 179.97 180.31 3d83 h THR 68 N 0.72 1.13 -0.18 0.20 2.02 -1.03 -1.68 112.91 114.09 3d83 h THR 68 Ca 0.16 -0.66 0.04 0.00 0.77 0.00 0.00 66.41 66.71 3d83 h THR 68 Cb 0.32 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 3d83 h THR 68 CO 0.00 0.16 -0.05 0.22 0.37 0.00 0.00 175.52 176.23 3d83 h TYR 69 N -0.38 -0.10 -0.49 3.16 3.20 -1.22 -1.98 116.97 119.17 3d83 h TYR 69 Ca -0.01 0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.97 3d83 h TYR 69 Cb 0.33 0.07 -0.09 0.00 1.54 0.00 0.00 36.73 38.59 3d83 h TYR 69 CO 0.02 -0.08 -0.10 -0.09 -1.64 0.00 0.00 178.16 176.27 3d83 h ARG 70 N -0.00 0.02 -0.57 1.82 2.43 -0.55 -0.82 114.38 116.71 3d83 h ARG 70 Ca 0.09 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 3d83 h ARG 70 Cb 0.14 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3d83 h ARG 70 CO -0.19 0.01 0.14 1.49 -1.51 0.00 0.00 179.97 179.91 3d83 h GLU 71 N 0.02 0.91 -0.52 0.20 4.81 -1.17 -1.91 114.58 116.93 3d83 h GLU 71 Ca 0.24 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3d83 h GLU 71 Cb 0.36 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3d83 h GLU 71 CO -0.49 0.85 0.22 1.25 -0.73 0.00 0.00 179.01 180.11 3d83 h LEU 72 N 0.82 0.70 -0.59 1.64 5.85 -1.04 -0.64 115.31 122.04 3d83 h LEU 72 Ca 0.18 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3d83 h LEU 72 Cb 0.34 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3d83 h LEU 72 CO 0.00 0.66 0.28 0.03 -0.34 0.00 0.00 178.44 179.08 3d83 h ARG 73 N 0.69 0.86 -0.23 1.25 2.47 -1.05 -1.75 114.38 116.62 3d83 h ARG 73 Ca 0.17 -0.13 -0.04 0.00 -1.26 0.00 0.00 59.98 58.73 3d83 h ARG 73 Cb 0.17 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 3d83 h ARG 73 CO -0.02 0.70 0.00 1.25 0.56 0.00 0.00 179.97 182.46 3d83 h LEU 74 N 0.81 0.39 -0.78 3.04 5.85 -1.18 -2.52 115.31 120.94 3d83 h LEU 74 Ca 0.20 -0.31 -0.12 0.00 0.84 0.00 0.00 57.88 58.50 3d83 h LEU 74 Cb 0.12 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3d83 h LEU 74 CO -0.03 0.60 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.27 3d83 h LEU 75 N 0.17 0.55 -1.48 2.25 3.38 -0.99 -2.46 115.31 116.74 3d83 h LEU 75 Ca 0.07 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3d83 h LEU 75 Cb 0.40 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3d83 h LEU 75 CO 0.01 0.85 -0.16 0.11 0.09 0.00 0.00 178.44 179.34 3d83 h LYS 76 N 0.45 0.14 0.17 1.13 1.57 -1.29 -3.21 116.57 115.52 3d83 h LYS 76 Ca 0.05 -0.03 -0.31 0.00 -1.87 0.00 0.00 60.65 58.49 3d83 h LYS 76 Cb 0.81 -0.02 0.03 0.00 0.08 0.00 0.00 32.23 33.13 3d83 h LYS 76 CO 0.07 0.31 -1.32 1.25 -0.57 0.00 0.00 179.45 179.18 3d83 h HIS 77 N 0.13 0.91 -2.87 -1.35 2.76 -1.15 -3.46 115.15 110.12 3d83 h HIS 77 Ca 0.03 -0.62 -0.57 0.00 -2.20 0.00 0.00 60.37 57.01 3d83 h HIS 77 Cb 0.37 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.24 3d83 h HIS 77 CO 0.00 1.47 1.14 -1.64 -1.30 0.00 0.00 177.93 177.60 3d83 s MET 78 N -2.80 3.65 -0.41 5.26 -1.94 -0.95 -4.94 119.30 117.16 3d83 s MET 78 Ca -0.08 1.43 0.02 0.00 -1.71 0.00 0.00 55.69 55.35 3d83 s MET 78 Cb 0.05 -4.06 0.15 0.00 2.01 0.00 0.00 34.83 32.98 3d83 s MET 78 CO 0.93 -1.47 0.26 0.15 -0.01 0.00 0.00 175.02 174.88 3d83 s LYS 79 N 4.93 0.94 -0.19 2.03 1.02 -1.26 -4.45 119.74 122.76 3d83 s LYS 79 Ca 0.70 -1.81 -0.23 0.00 0.02 0.00 0.00 55.97 54.65 3d83 s LYS 79 Cb -0.21 -1.74 0.06 0.00 -0.52 0.00 0.00 37.83 35.42 3d83 s LYS 79 CO 0.30 -1.24 0.62 -1.58 -0.92 0.00 0.00 175.35 172.54 3d83 s HIS 80 N 0.50 -0.66 0.55 3.18 2.46 -1.26 -5.07 115.29 114.99 3d83 s HIS 80 Ca 0.22 1.50 0.24 0.00 0.47 0.00 0.00 55.06 57.49 3d83 s HIS 80 Cb -0.16 0.26 1.56 0.00 -0.13 0.00 0.00 32.58 34.11 3d83 s HIS 80 CO -0.05 -0.39 2.19 0.93 -2.47 0.00 0.00 174.74 174.95 3d83 h GLU 81 N 4.65 0.00 -0.45 2.88 5.08 -1.98 -2.65 114.58 122.11 3d83 h GLU 81 Ca -0.28 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.99 3d83 h GLU 81 Cb 1.16 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.36 3d83 h GLU 81 CO 0.18 0.02 0.07 0.09 -1.00 0.00 0.00 179.01 178.36 3d83 n ASN 82 N -4.10 4.17 -3.82 1.42 5.03 -1.26 -4.73 115.26 111.96 3d83 n ASN 82 Ca -0.03 -3.18 -0.14 0.00 0.87 0.00 0.00 54.58 52.10 3d83 n ASN 82 Cb 0.10 -0.63 -0.15 0.00 -1.02 0.00 0.00 39.78 38.08 3d83 n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3d83 s VAL 83 N -2.94 -0.01 0.29 2.41 1.01 -1.00 -1.40 120.40 118.75 3d83 s VAL 83 Ca 0.48 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 3d83 s VAL 83 Cb 0.39 -0.07 -0.13 0.00 0.00 0.00 0.00 36.38 36.57 3d83 s VAL 83 CO 0.10 0.05 1.29 0.00 0.00 0.00 0.00 175.10 176.54 3d83 n ILE 84 N 3.68 1.55 -4.69 2.22 0.13 -0.57 -4.55 119.36 117.13 3d83 n ILE 84 Ca -0.21 -0.39 -0.30 0.00 -1.10 0.00 0.00 62.75 60.75 3d83 n ILE 84 Cb 0.55 -1.42 -0.09 0.00 -0.84 0.00 0.00 39.64 37.83 3d83 n ILE 84 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 3d83 s GLY 85 N -0.10 2.78 -0.34 4.50 0.00 -1.26 -4.80 107.32 108.10 3d83 s GLY 85 Ca 0.61 -1.24 -0.10 0.00 0.00 0.00 0.00 44.72 43.99 3d83 s GLY 85 CO 0.57 -2.14 0.18 -2.27 0.00 0.00 0.00 173.10 169.43 3d83 s LEU 86 N -3.79 4.37 0.12 0.66 2.96 -1.24 -4.61 118.68 117.15 3d83 s LEU 86 Ca 0.19 -0.73 -0.06 0.00 -0.22 0.00 0.00 54.13 53.31 3d83 s LEU 86 Cb 0.05 -2.01 -0.10 0.00 0.50 0.00 0.00 46.19 44.63 3d83 s LEU 86 CO 0.10 -0.28 1.30 -0.07 -1.32 0.00 0.00 176.35 176.08 3d83 h LEU 87 N 8.39 0.62 -7.00 -0.68 3.38 -1.62 -3.42 115.31 114.97 3d83 h LEU 87 Ca -0.29 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 57.21 3d83 h LEU 87 Cb 1.13 -0.19 -0.18 0.00 0.09 0.00 0.00 40.66 41.51 3d83 h LEU 87 CO 0.64 1.27 0.34 -0.62 0.09 0.00 0.00 178.44 180.16 3d83 s ASP 88 N -7.11 -0.51 -0.05 -0.43 2.15 -1.16 -4.59 116.67 104.97 3d83 s ASP 88 Ca -0.07 0.36 -0.03 0.00 0.43 0.00 0.00 52.55 53.24 3d83 s ASP 88 Cb 0.09 0.46 0.02 0.00 -0.30 0.00 0.00 42.92 43.19 3d83 s ASP 88 CO 0.88 -0.62 0.13 0.54 -0.17 0.00 0.00 175.17 175.93 3d83 s VAL 89 N -2.06 -0.02 0.09 1.11 0.11 -1.26 -1.38 120.40 116.98 3d83 s VAL 89 Ca -0.03 0.09 -0.07 0.00 -2.93 0.00 0.00 61.98 59.03 3d83 s VAL 89 Cb -0.01 -0.20 -0.01 0.00 -1.53 0.00 0.00 36.38 34.64 3d83 s VAL 89 CO -0.00 0.04 0.16 0.72 -3.33 0.00 0.00 175.10 172.68 3d83 s PHE 90 N 0.59 0.25 0.01 1.54 -0.12 -0.78 -4.99 117.98 114.48 3d83 s PHE 90 Ca -0.04 -0.69 0.01 0.00 -0.05 0.00 0.00 56.93 56.15 3d83 s PHE 90 Cb -0.06 -0.12 -0.01 0.00 -0.63 0.00 0.00 43.02 42.20 3d83 s PHE 90 CO -0.03 -0.53 -0.04 -0.08 -0.05 0.00 0.00 175.22 174.49 3d83 s THR 91 N -3.88 0.28 -0.54 -4.49 -1.32 -1.26 -1.63 115.64 102.80 3d83 s THR 91 Ca 0.07 -0.40 0.21 0.00 -1.21 0.00 0.00 61.69 60.36 3d83 s THR 91 Cb 0.05 -0.29 0.22 0.00 -1.51 0.00 0.00 72.50 70.97 3d83 s THR 91 CO -0.10 -0.09 1.65 -2.65 -2.21 0.00 0.00 174.62 171.22 3d83 n PRO 92 N 2.54 0.15 -2.22 7.08 -0.02 -1.26 -4.84 135.00 136.44 3d83 n PRO 92 Ca -0.16 0.43 -0.41 0.00 -2.02 0.00 0.00 63.50 61.34 3d83 n PRO 92 Cb 0.58 -1.82 -0.03 0.00 -0.02 0.00 0.00 33.50 32.21 3d83 n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d83 s ALA 93 N -3.29 3.51 -1.61 3.55 0.00 -1.26 -4.93 121.76 117.72 3d83 s ALA 93 Ca 0.04 1.12 0.26 0.00 0.00 0.00 0.00 51.96 53.38 3d83 s ALA 93 Cb 0.09 -3.47 0.74 0.00 0.00 0.00 0.00 23.12 20.48 3d83 s ALA 93 CO 0.34 -0.53 1.56 0.54 0.00 0.00 0.00 175.76 177.67 3d83 n ARG 94 N 2.10 0.68 -3.79 0.00 1.74 -1.26 -4.96 116.66 111.17 3d83 n ARG 94 Ca 0.04 -0.39 -0.10 0.00 -0.77 0.00 0.00 57.85 56.64 3d83 n ARG 94 Cb 0.43 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.33 3d83 n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3d83 s SER 95 N -2.59 -0.20 0.28 0.55 1.04 -1.26 -5.03 113.70 106.49 3d83 s SER 95 Ca 0.22 -0.57 -0.01 0.00 0.48 0.00 0.00 55.95 56.08 3d83 s SER 95 Cb 0.19 0.55 0.48 0.00 0.10 0.00 0.00 66.02 67.34 3d83 s SER 95 CO 0.55 -1.03 1.89 0.25 0.98 0.00 0.00 173.24 175.88 3d83 h LEU 96 N 2.26 0.97 -0.93 2.42 5.85 -1.96 -2.16 115.31 121.76 3d83 h LEU 96 Ca -0.29 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.58 3d83 h LEU 96 Cb 1.26 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 42.00 3d83 h LEU 96 CO 0.39 0.61 0.54 -0.33 -0.34 0.00 0.00 178.44 179.31 3d83 h GLU 97 N 1.10 0.77 -0.60 1.25 3.07 -2.01 -2.29 114.58 115.87 3d83 h GLU 97 Ca 0.42 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 3d83 h GLU 97 Cb 0.22 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3d83 h GLU 97 CO -0.17 0.51 0.00 -0.85 -1.40 0.00 0.00 179.01 177.10 3d83 n GLU 98 N -4.75 2.72 -2.22 2.33 0.28 -0.96 -4.96 120.64 113.08 3d83 n GLU 98 Ca 0.19 -2.46 -0.43 0.00 -0.16 0.00 0.00 57.16 54.30 3d83 n GLU 98 Cb 0.42 -1.48 -0.02 0.00 1.43 0.00 0.00 31.44 31.78 3d83 n GLU 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3d83 s PHE 99 N -1.04 2.36 0.00 -1.84 5.36 -0.85 -4.73 117.98 117.24 3d83 s PHE 99 Ca 0.41 0.63 0.00 0.00 -0.96 0.00 0.00 56.93 57.01 3d83 s PHE 99 Cb 0.22 -3.82 0.00 0.00 -0.34 0.00 0.00 43.02 39.08 3d83 s PHE 99 CO 0.28 -2.65 0.00 -1.71 -1.46 0.00 0.00 175.22 169.68 3d83 n ASN 100 N 7.48 0.00 -4.16 6.13 2.85 -1.26 -5.04 115.26 121.25 3d83 n ASN 100 Ca 0.16 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.45 3d83 n ASN 100 Cb 0.45 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.35 3d83 n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 3d83 s ASP 101 N 0.00 1.64 -0.04 1.20 1.01 -1.26 -4.65 116.67 114.56 3d83 s ASP 101 Ca 0.00 -0.59 0.01 0.00 0.71 0.00 0.00 52.55 52.68 3d83 s ASP 101 Cb 0.00 -0.05 0.02 0.00 1.01 0.00 0.00 42.92 43.90 3d83 s ASP 101 CO 0.00 -0.07 -0.03 -0.69 0.21 0.00 0.00 175.17 174.59 3d83 s VAL 102 N -1.22 0.47 -0.11 -1.27 1.01 -1.26 -4.56 120.40 113.46 3d83 s VAL 102 Ca -0.02 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.93 3d83 s VAL 102 Cb -0.10 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.77 3d83 s VAL 102 CO 0.02 0.22 -0.21 -0.31 0.00 0.00 0.00 175.10 174.81 3d83 s TYR 103 N 1.04 2.40 -0.10 5.22 1.51 -0.64 -1.95 117.35 124.82 3d83 s TYR 103 Ca -0.09 -1.04 -0.01 0.00 -1.01 0.00 0.00 57.07 54.92 3d83 s TYR 103 Cb -0.14 -1.63 -0.03 0.00 -0.11 0.00 0.00 41.96 40.05 3d83 s TYR 103 CO -0.01 -0.45 -0.06 -0.51 -1.11 0.00 0.00 175.55 173.41 3d83 s LEU 104 N 0.53 3.18 -0.10 -1.29 1.43 -0.08 -1.87 118.68 120.48 3d83 s LEU 104 Ca -0.15 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 3d83 s LEU 104 Cb -0.17 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 3d83 s LEU 104 CO 0.05 0.28 -0.21 -0.69 0.23 0.00 0.00 176.35 176.02 3d83 s VAL 105 N -0.33 2.37 0.29 -1.59 1.01 -0.48 -0.41 120.40 121.26 3d83 s VAL 105 Ca 0.05 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.14 3d83 s VAL 105 Cb -0.12 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 3d83 s VAL 105 CO 0.02 0.55 0.19 0.42 0.00 0.00 0.00 175.10 176.29 3d83 s THR 106 N 0.18 0.14 0.47 3.92 -4.23 -0.52 -1.48 115.64 114.13 3d83 s THR 106 Ca -0.12 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.15 3d83 s THR 106 Cb -0.16 -2.50 -0.08 0.00 1.34 0.00 0.00 72.50 71.10 3d83 s THR 106 CO 0.07 0.00 1.27 1.41 -0.54 0.00 0.00 174.62 176.82 3d83 n HIS 107 N -0.52 2.06 -2.54 3.99 8.25 -1.26 -0.77 115.22 124.43 3d83 n HIS 107 Ca 0.03 0.47 -0.42 0.00 -0.26 0.00 0.00 57.72 57.54 3d83 n HIS 107 Cb 0.64 -2.35 -0.03 0.00 1.12 0.00 0.00 29.99 29.38 3d83 n HIS 107 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3d83 s LEU 108 N -2.21 4.29 -0.90 2.41 2.96 -0.60 -4.15 118.68 120.48 3d83 s LEU 108 Ca 0.65 1.75 -0.00 0.00 -0.22 0.00 0.00 54.13 56.30 3d83 s LEU 108 Cb -0.47 -3.56 0.27 0.00 0.50 0.00 0.00 46.19 42.93 3d83 s LEU 108 CO 0.55 -0.51 1.06 0.23 -1.32 0.00 0.00 176.35 176.36 3d83 n MET 109 N 4.92 3.37 0.10 1.98 2.81 -1.26 -4.93 117.12 124.11 3d83 n MET 109 Ca 0.10 -4.57 0.12 0.00 -1.81 0.00 0.00 57.70 51.54 3d83 n MET 109 Cb 0.47 -2.41 0.45 0.00 -0.71 0.00 0.00 33.22 31.03 3d83 n MET 109 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3d83 n GLY 110 N 1.46 -1.46 3.02 3.03 0.00 -1.26 -4.74 105.19 105.24 3d83 n GLY 110 Ca 0.26 0.01 -0.17 0.00 0.00 0.00 0.00 46.02 46.12 3d83 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d83 s ALA 111 N -3.17 0.66 0.50 4.61 0.00 -1.26 -5.09 121.76 118.01 3d83 s ALA 111 Ca 0.08 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.65 3d83 s ALA 111 Cb 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.10 3d83 s ALA 111 CO 0.48 0.13 0.16 0.16 0.00 0.00 0.00 175.76 176.70 3d83 s ASP 112 N -0.45 4.33 0.45 0.00 1.47 -1.26 -1.55 116.67 119.66 3d83 s ASP 112 Ca 0.01 -1.42 0.25 0.00 1.18 0.00 0.00 52.55 52.57 3d83 s ASP 112 Cb -0.04 0.30 0.97 0.00 -0.34 0.00 0.00 42.92 43.81 3d83 s ASP 112 CO -0.00 -0.88 1.84 0.25 0.68 0.00 0.00 175.17 177.07 3d83 h LEU 113 N 1.18 0.00 -0.35 2.11 5.85 -0.94 -2.69 115.31 120.46 3d83 h LEU 113 Ca -0.41 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 3d83 h LEU 113 Cb 1.30 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 3d83 h LEU 113 CO 0.68 0.19 0.21 0.78 -0.34 0.00 0.00 178.44 179.97 3d83 h ASN 114 N 0.00 0.43 -0.87 1.25 2.35 -1.85 -1.55 115.58 115.34 3d83 h ASN 114 Ca -0.00 -0.05 0.04 0.00 -0.55 0.00 0.00 56.30 55.74 3d83 h ASN 114 Cb 0.72 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.93 3d83 h ASN 114 CO 0.03 0.35 0.55 -1.13 -1.65 0.00 0.00 177.43 175.58 3d83 h ASN 115 N 0.46 0.90 0.59 5.81 -0.73 -1.85 -1.42 115.58 119.34 3d83 h ASN 115 Ca 0.13 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.27 3d83 h ASN 115 Cb 0.00 -0.19 0.01 0.00 0.27 0.00 0.00 38.32 38.41 3d83 h ASN 115 CO -0.02 0.60 -0.29 0.40 -0.37 0.00 0.00 177.43 177.75 3d83 h ILE 116 N 1.05 0.37 -0.37 2.57 1.08 -1.31 -3.20 117.51 117.70 3d83 h ILE 116 Ca 0.36 -0.17 -0.02 0.00 -0.39 0.00 0.00 64.86 64.64 3d83 h ILE 116 Cb 0.07 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 34.24 3d83 h ILE 116 CO -0.14 0.02 0.14 0.58 -0.69 0.00 0.00 178.15 178.07 3d83 h VAL 117 N -0.91 1.15 0.00 1.67 2.07 -1.25 -0.74 116.25 118.23 3d83 h VAL 117 Ca -0.08 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3d83 h VAL 117 Cb 0.65 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3d83 h VAL 117 CO 0.13 0.17 0.00 0.29 0.02 0.00 0.00 177.57 178.19 3d83 n LYS 118 N -4.39 0.73 0.00 1.57 4.01 -0.54 -4.95 118.16 114.59 3d83 n LYS 118 Ca 0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.82 3d83 n LYS 118 Cb 0.14 -1.16 0.00 0.00 -0.51 0.00 0.00 35.03 33.51 3d83 n LYS 118 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 3d83 n GLN 120 N -0.66 0.00 -3.04 1.97 6.02 -0.29 -5.10 117.38 116.29 3d83 n GLN 120 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.62 3d83 n GLN 120 Cb 0.03 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.23 3d83 n GLN 120 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3d83 s LYS 121 N 0.00 3.69 -0.20 -1.09 2.36 -1.26 -5.06 119.74 118.18 3d83 s LYS 121 Ca 0.00 0.14 -0.11 0.00 -2.55 0.00 0.00 55.97 53.45 3d83 s LYS 121 Cb 0.00 -3.82 -0.05 0.00 -1.05 0.00 0.00 37.83 32.91 3d83 s LYS 121 CO 0.00 -0.81 0.18 -0.51 1.55 0.00 0.00 175.35 175.76 3d83 s LEU 122 N 2.90 4.20 0.63 5.43 1.43 -1.26 -5.09 118.68 126.92 3d83 s LEU 122 Ca 0.27 0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 53.63 3d83 s LEU 122 Cb -0.14 -2.17 0.05 0.00 0.03 0.00 0.00 46.19 43.96 3d83 s LEU 122 CO 0.16 0.14 0.91 0.42 0.23 0.00 0.00 176.35 178.20 3d83 s THR 123 N 0.50 2.52 0.29 5.49 -4.23 -1.26 -4.90 115.64 114.04 3d83 s THR 123 Ca 0.10 -0.43 -0.00 0.00 -1.18 0.00 0.00 61.69 60.19 3d83 s THR 123 Cb -0.12 -3.03 0.28 0.00 1.34 0.00 0.00 72.50 70.98 3d83 s THR 123 CO 0.00 -0.02 1.88 -0.78 -0.54 0.00 0.00 174.62 175.16 3d83 h ASP 124 N -0.29 0.96 -0.69 3.99 3.58 -1.98 -1.76 116.42 120.22 3d83 h ASP 124 Ca -0.43 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 56.98 3d83 h ASP 124 Cb 1.30 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 42.14 3d83 h ASP 124 CO 0.57 0.59 0.23 -0.78 -2.88 0.00 0.00 179.24 176.97 3d83 h ASP 125 N 1.07 1.01 -0.14 2.28 3.58 -1.99 -0.50 116.42 121.73 3d83 h ASP 125 Ca 0.43 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.71 3d83 h ASP 125 Cb 0.27 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 3d83 h ASP 125 CO -0.18 0.94 0.08 0.45 -2.88 0.00 0.00 179.24 177.64 3d83 h HIS 126 N 1.05 0.16 -0.39 0.28 3.86 -1.77 -2.06 115.15 116.27 3d83 h HIS 126 Ca 0.23 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.51 3d83 h HIS 126 Cb 0.28 -0.05 -0.06 0.00 1.06 0.00 0.00 27.41 28.64 3d83 h HIS 126 CO 0.02 0.09 0.04 0.28 0.86 0.00 0.00 177.93 179.23 3d83 h VAL 127 N 0.17 0.75 -0.26 2.45 2.07 -1.04 -0.95 116.25 119.44 3d83 h VAL 127 Ca 0.06 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.58 3d83 h VAL 127 Cb -0.01 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 3d83 h VAL 127 CO -0.03 0.03 -0.09 1.56 0.02 0.00 0.00 177.57 179.06 3d83 h GLN 128 N 0.16 -0.04 -0.40 1.57 4.20 -0.92 -1.49 115.11 118.20 3d83 h GLN 128 Ca 0.19 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 3d83 h GLN 128 Cb 0.25 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3d83 h GLN 128 CO -0.28 -0.03 0.08 0.35 -0.67 0.00 0.00 178.83 178.28 3d83 h PHE 129 N -0.04 0.68 0.06 2.96 3.57 -1.02 -0.85 116.94 122.30 3d83 h PHE 129 Ca 0.13 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 3d83 h PHE 129 Cb 0.24 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.79 3d83 h PHE 129 CO -0.28 0.67 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.36 3d83 h LEU 130 N 0.50 -0.07 -0.63 0.59 3.38 -1.10 -2.27 115.31 115.72 3d83 h LEU 130 Ca 0.12 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 3d83 h LEU 130 Cb 0.34 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3d83 h LEU 130 CO 0.00 0.27 0.04 0.40 0.09 0.00 0.00 178.44 179.24 3d83 h ILE 131 N -0.41 1.26 -0.63 1.22 1.08 -1.30 -2.68 117.51 116.05 3d83 h ILE 131 Ca -0.01 -1.11 0.12 0.00 -0.39 0.00 0.00 64.86 63.48 3d83 h ILE 131 Cb 0.36 0.75 -0.09 0.00 -3.07 0.00 0.00 36.82 34.77 3d83 h ILE 131 CO 0.01 0.41 0.12 0.22 -0.69 0.00 0.00 178.15 178.22 3d83 h TYR 132 N 0.98 0.17 -0.56 1.37 3.20 -1.16 -1.08 116.97 119.90 3d83 h TYR 132 Ca 0.18 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.99 3d83 h TYR 132 Cb 0.51 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 3d83 h TYR 132 CO 0.04 -0.06 -0.05 1.96 -1.64 0.00 0.00 178.16 178.40 3d83 h GLN 133 N 0.24 1.00 -0.38 1.82 4.20 -1.17 -0.05 115.11 120.77 3d83 h GLN 133 Ca 0.33 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3d83 h GLN 133 Cb 0.52 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 3d83 h GLN 133 CO -0.44 1.01 0.16 0.82 -0.67 0.00 0.00 178.83 179.71 3d83 h ILE 134 N 0.91 1.19 -0.39 2.54 2.04 -1.12 -1.38 117.51 121.30 3d83 h ILE 134 Ca 0.15 -0.57 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 3d83 h ILE 134 Cb 0.60 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3d83 h ILE 134 CO 0.04 0.21 -0.10 -0.07 0.00 0.00 0.00 178.15 178.22 3d83 h LEU 135 N 0.47 0.65 -0.16 1.44 3.38 -1.05 -0.25 115.31 119.79 3d83 h LEU 135 Ca 0.13 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3d83 h LEU 135 Cb 0.17 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3d83 h LEU 135 CO -0.01 0.79 0.05 -0.09 0.09 0.00 0.00 178.44 179.27 3d83 h ARG 136 N 0.62 0.26 -0.70 1.13 2.43 -0.84 0.10 114.38 117.38 3d83 h ARG 136 Ca 0.11 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3d83 h ARG 136 Cb 0.53 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 3d83 h ARG 136 CO 0.03 0.38 0.46 0.78 -1.51 0.00 0.00 179.97 180.12 3d83 h GLY 137 N 0.08 0.98 1.18 2.80 0.00 -1.15 -3.00 103.07 103.96 3d83 h GLY 137 Ca 0.05 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 3d83 h GLY 137 CO -0.00 0.36 -0.02 1.41 0.00 0.00 0.00 176.54 178.29 3d83 h LEU 138 N 0.94 0.96 -0.85 3.11 3.38 -0.81 -1.04 115.31 121.00 3d83 h LEU 138 Ca 0.26 -0.27 0.11 0.00 0.09 0.00 0.00 57.88 58.07 3d83 h LEU 138 Cb -0.11 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.31 3d83 h LEU 138 CO -0.06 1.03 0.47 0.50 0.09 0.00 0.00 178.44 180.48 3d83 h LYS 139 N 0.90 0.73 -0.01 1.13 3.64 -0.73 0.11 116.57 122.34 3d83 h LYS 139 Ca 0.16 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3d83 h LYS 139 Cb 0.55 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3d83 h LYS 139 CO 0.03 0.48 -0.00 -0.92 -2.27 0.00 0.00 179.45 176.77 3d83 h TYR 140 N 0.75 0.01 -0.08 1.91 5.03 -1.30 -1.62 116.97 121.67 3d83 h TYR 140 Ca 0.43 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.73 3d83 h TYR 140 Cb 0.47 -0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.74 3d83 h TYR 140 CO -0.07 0.39 0.04 0.82 -1.32 0.00 0.00 178.16 178.03 3d83 h ILE 141 N -0.37 1.11 -0.53 1.81 2.04 -0.89 -2.89 117.51 117.80 3d83 h ILE 141 Ca 0.00 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.57 3d83 h ILE 141 Cb 0.39 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3d83 h ILE 141 CO 0.00 0.10 0.35 0.45 0.00 0.00 0.00 178.15 179.05 3d83 h HIS 142 N 0.01 0.55 0.00 1.37 3.86 -0.84 -1.34 115.15 118.76 3d83 h HIS 142 Ca 0.03 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3d83 h HIS 142 Cb 0.12 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 3d83 h HIS 142 CO -0.03 0.31 -0.00 0.66 0.86 0.00 0.00 177.93 179.73 3d83 h SER 143 N 0.56 0.00 -0.51 2.45 4.64 -1.07 0.31 113.55 119.93 3d83 h SER 143 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3d83 h SER 143 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3d83 h SER 143 CO -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.90 3d83 n ALA 144 N -2.20 2.41 -3.63 5.18 0.00 -0.53 -4.78 120.51 116.97 3d83 n ALA 144 Ca -0.03 -1.06 -0.25 0.00 0.00 0.00 0.00 53.44 52.10 3d83 n ALA 144 Cb 0.08 -0.92 0.06 0.00 0.00 0.00 0.00 19.45 18.67 3d83 n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3d83 n ASP 145 N 1.41 -5.98 -4.63 0.00 8.00 0.10 -4.64 116.55 110.80 3d83 n ASP 145 Ca 0.21 -0.58 -0.34 0.00 0.71 0.00 0.00 54.79 54.79 3d83 n ASP 145 Cb 0.57 -4.73 -0.10 0.00 -0.02 0.00 0.00 41.12 36.85 3d83 n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3d83 s ILE 146 N -3.30 4.70 -0.13 0.53 1.01 -1.08 -5.03 121.20 117.91 3d83 s ILE 146 Ca 0.59 -0.07 -0.01 0.00 0.00 0.00 0.00 60.65 61.16 3d83 s ILE 146 Cb -0.27 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 3d83 s ILE 146 CO 0.73 0.48 -0.08 -0.63 0.00 0.00 0.00 174.94 175.43 3d83 s ILE 147 N 0.25 3.49 -0.06 2.92 1.01 -1.26 -3.79 121.20 123.76 3d83 s ILE 147 Ca 0.03 -0.52 -0.22 0.00 0.00 0.00 0.00 60.65 59.94 3d83 s ILE 147 Cb -0.12 -2.48 -0.17 0.00 0.01 0.00 0.00 42.46 39.69 3d83 s ILE 147 CO 0.01 0.53 0.91 -0.74 0.00 0.00 0.00 174.94 175.64 3d83 h HIS 148 N 6.39 -0.14 0.00 3.97 -0.00 -1.98 -3.47 115.15 119.91 3d83 h HIS 148 Ca -0.33 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.04 3d83 h HIS 148 Cb 1.19 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.65 3d83 h HIS 148 CO 0.52 0.35 0.00 0.54 -0.00 0.00 0.00 177.93 179.34 3d83 n ARG 149 N -4.88 0.00 -2.67 5.26 1.74 -1.26 -4.79 116.66 110.06 3d83 n ARG 149 Ca -0.08 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.94 3d83 n ARG 149 Cb 0.28 -2.34 0.04 0.00 -1.02 0.00 0.00 32.46 29.42 3d83 n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3d83 n ASP 150 N 0.00 2.20 -4.71 0.55 2.03 -1.26 -4.97 116.55 110.40 3d83 n ASP 150 Ca 0.00 -2.45 -0.42 0.00 0.52 0.00 0.00 54.79 52.44 3d83 n ASP 150 Cb 0.00 -0.46 -0.03 0.00 -0.72 0.00 0.00 41.12 39.91 3d83 n ASP 150 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3d83 s LEU 151 N -3.67 4.36 0.12 -2.67 1.43 -1.26 -4.86 118.68 112.12 3d83 s LEU 151 Ca 0.32 2.05 -0.25 0.00 -1.03 0.00 0.00 54.13 55.22 3d83 s LEU 151 Cb 0.36 -3.58 0.08 0.00 0.03 0.00 0.00 46.19 43.08 3d83 s LEU 151 CO -0.02 -0.52 0.72 -1.59 0.23 0.00 0.00 176.35 175.17 3d83 s LYS 152 N 1.26 1.17 0.33 1.70 -2.85 -1.26 -4.83 119.74 115.26 3d83 s LYS 152 Ca 0.60 -0.47 0.11 0.00 -1.00 0.00 0.00 55.97 55.20 3d83 s LYS 152 Cb -0.30 0.51 0.90 0.00 -2.06 0.00 0.00 37.83 36.88 3d83 s LYS 152 CO 0.28 -0.52 1.75 -1.35 0.10 0.00 0.00 175.35 175.61 3d83 h PRO 153 N 2.00 0.56 0.00 1.78 0.11 -1.94 -1.29 132.00 133.21 3d83 h PRO 153 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3d83 h PRO 153 Cb 1.28 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3d83 h PRO 153 CO 0.34 0.37 0.00 -1.13 -0.21 0.00 0.00 178.00 177.37 3d83 n SER 154 N -4.81 0.55 -1.38 -2.05 3.41 -1.26 -2.13 113.62 105.94 3d83 n SER 154 Ca 0.26 0.65 0.11 0.00 -0.26 0.00 0.00 58.87 59.63 3d83 n SER 154 Cb 0.74 -0.76 0.32 0.00 -0.26 0.00 0.00 64.21 64.25 3d83 n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3d83 n ASN 155 N -2.13 4.03 -4.07 4.04 3.02 -0.49 -4.81 115.26 114.85 3d83 n ASN 155 Ca 0.02 -2.14 -0.32 0.00 -0.03 0.00 0.00 54.58 52.11 3d83 n ASN 155 Cb 0.19 -0.50 -0.16 0.00 -0.61 0.00 0.00 39.78 38.70 3d83 n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3d83 s LEU 156 N -1.25 2.73 -0.08 3.41 1.43 -0.91 -1.48 118.68 122.53 3d83 s LEU 156 Ca 0.48 -1.02 -0.13 0.00 -1.03 0.00 0.00 54.13 52.42 3d83 s LEU 156 Cb 0.27 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.98 3d83 s LEU 156 CO 0.29 -0.11 0.33 0.00 0.23 0.00 0.00 176.35 177.09 3d83 s ALA 157 N 1.23 3.68 -0.07 4.21 0.00 -0.41 -1.03 121.76 129.38 3d83 s ALA 157 Ca -0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.56 3d83 s ALA 157 Cb -0.17 -2.33 0.03 0.00 0.00 0.00 0.00 23.12 20.65 3d83 s ALA 157 CO -0.09 0.35 -0.02 0.08 0.00 0.00 0.00 175.76 176.09 3d83 s VAL 158 N -0.47 0.49 0.50 0.00 1.01 -0.60 -1.11 120.40 120.22 3d83 s VAL 158 Ca 0.20 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.12 3d83 s VAL 158 Cb -0.15 -0.59 0.11 0.00 0.00 0.00 0.00 36.38 35.75 3d83 s VAL 158 CO 0.08 0.26 0.68 -0.46 0.00 0.00 0.00 175.10 175.66 3d83 n ASN 159 N 4.79 0.28 0.24 3.32 0.23 -0.50 -4.40 115.26 119.22 3d83 n ASN 159 Ca -0.13 -1.39 0.07 0.00 -0.53 0.00 0.00 54.58 52.61 3d83 n ASN 159 Cb 0.50 -0.49 0.58 0.00 -2.08 0.00 0.00 39.78 38.29 3d83 n ASN 159 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3d83 h GLU 160 N 0.00 0.00 0.00 -3.83 4.39 -2.01 -3.37 114.58 109.76 3d83 h GLU 160 Ca -0.22 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.40 3d83 h GLU 160 Cb 0.66 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 3d83 h GLU 160 CO 0.18 0.14 -0.74 -0.44 -1.16 0.00 0.00 179.01 176.99 3d83 h ASP 161 N 0.00 0.00 0.00 1.42 3.32 -2.05 -3.55 116.42 115.56 3d83 h ASP 161 Ca -0.00 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.86 3d83 h ASP 161 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3d83 h ASP 161 CO 0.02 1.00 0.00 -0.62 -1.72 0.00 0.00 179.24 177.92 3d83 n GLU 163 N -4.56 0.00 -5.01 3.56 1.02 -1.26 -5.18 120.64 109.21 3d83 n GLU 163 Ca -0.16 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.66 3d83 n GLU 163 Cb 0.40 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.68 3d83 n GLU 163 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3d83 s LEU 164 N 0.00 2.51 0.01 -4.62 0.20 -1.26 -1.41 118.68 114.11 3d83 s LEU 164 Ca 0.00 -0.31 0.06 0.00 0.69 0.00 0.00 54.13 54.57 3d83 s LEU 164 Cb 0.00 -1.50 -0.02 0.00 -0.43 0.00 0.00 46.19 44.25 3d83 s LEU 164 CO 0.00 0.30 -0.18 -0.54 -0.29 0.00 0.00 176.35 175.64 3d83 s LYS 165 N -0.47 1.37 -0.14 1.98 1.02 -0.26 -4.34 119.74 118.89 3d83 s LYS 165 Ca 0.06 -0.74 -0.23 0.00 0.02 0.00 0.00 55.97 55.07 3d83 s LYS 165 Cb -0.12 -1.38 -0.03 0.00 -0.52 0.00 0.00 37.83 35.79 3d83 s LYS 165 CO 0.01 0.37 0.73 0.42 -0.92 0.00 0.00 175.35 175.96 3d83 s ILE 166 N -0.58 4.98 0.00 2.17 1.01 -0.49 -1.28 121.20 127.00 3d83 s ILE 166 Ca 0.06 1.44 0.00 0.00 0.00 0.00 0.00 60.65 62.16 3d83 s ILE 166 Cb -0.08 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.35 3d83 s ILE 166 CO 0.00 0.14 0.00 0.00 0.00 0.00 0.00 174.94 175.08 3d83 n LEU 167 N 4.62 0.00 -3.58 2.97 -0.00 -0.55 -1.50 117.00 118.96 3d83 n LEU 167 Ca 0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.76 3d83 n LEU 167 Cb 0.50 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.76 3d83 n LEU 167 CO 0.47 0.00 -0.31 -0.62 -0.00 0.00 0.00 177.39 176.92 3d83 s ASP 168 N -0.69 2.40 0.00 1.45 -1.08 -1.26 -4.79 116.67 112.69 3d83 s ASP 168 Ca 0.00 -0.67 0.28 0.00 -0.52 0.00 0.00 52.55 51.64 3d83 s ASP 168 Cb 0.00 -0.17 1.14 0.00 -1.46 0.00 0.00 42.92 42.43 3d83 s ASP 168 CO 0.00 -0.36 1.82 0.49 0.52 0.00 0.00 175.17 177.64 3d83 n PHE 169 N 5.28 0.00 -1.67 -5.34 3.72 -1.26 -4.92 117.46 113.27 3d83 n PHE 169 Ca -0.07 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.85 3d83 n PHE 169 Cb 0.48 -0.26 -0.05 0.00 -0.94 0.00 0.00 39.48 38.71 3d83 n PHE 169 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d83 n GLY 170 N 1.35 1.17 0.45 1.37 0.00 -1.26 -4.86 105.19 103.42 3d83 n GLY 170 Ca 0.12 0.76 0.05 0.00 0.00 0.00 0.00 46.02 46.95 3d83 n GLY 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d83 n LEU 171 N 4.77 2.73 0.00 0.99 4.77 -1.26 -5.02 117.00 123.98 3d83 n LEU 171 Ca 0.20 -2.17 -0.13 0.00 -0.03 0.00 0.00 56.01 53.88 3d83 n LEU 171 Cb 0.27 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3d83 n LEU 171 CO 0.69 0.66 0.19 0.00 -1.33 0.00 0.00 177.39 177.60 3d83 n ALA 172 N -0.00 -0.46 -2.17 -1.18 0.00 -1.26 -0.31 120.51 115.13 3d83 n ALA 172 Ca 0.09 -1.52 -0.38 0.00 0.00 0.00 0.00 53.44 51.64 3d83 n ALA 172 Cb 0.44 1.22 -0.06 0.00 0.00 0.00 0.00 19.45 21.05 3d83 n ALA 172 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3d83 s ARG 173 N -2.70 4.29 -0.87 0.00 3.52 -1.26 -4.98 118.95 116.95 3d83 s ARG 173 Ca 0.27 0.85 -0.25 0.00 -0.13 0.00 0.00 55.73 56.47 3d83 s ARG 173 Cb -0.01 -3.15 -0.02 0.00 -1.56 0.00 0.00 34.95 30.21 3d83 s ARG 173 CO 0.19 0.56 1.78 -1.01 -0.81 0.00 0.00 175.30 176.01 3d83 s HIS 174 N -1.23 1.98 0.65 5.12 3.76 -1.26 -4.94 115.29 119.36 3d83 s HIS 174 Ca 0.34 0.28 0.00 0.00 -0.15 0.00 0.00 55.06 55.54 3d83 s HIS 174 Cb -0.20 -4.24 0.09 0.00 1.11 0.00 0.00 32.58 29.34 3d83 s HIS 174 CO 0.21 -1.90 0.90 0.95 -0.85 0.00 0.00 174.74 174.05 3d83 s THR 175 N 8.49 2.35 0.07 1.30 -4.23 -1.26 -5.00 115.64 117.36 3d83 s THR 175 Ca 0.62 -0.62 -0.23 0.00 -1.18 0.00 0.00 61.69 60.28 3d83 s THR 175 Cb -0.06 -2.73 -0.15 0.00 1.34 0.00 0.00 72.50 70.91 3d83 s THR 175 CO 0.02 0.00 1.66 0.44 -0.54 0.00 0.00 174.62 176.19 3d83 h ASP 176 N -0.27 0.05 -0.91 3.99 3.32 -1.99 -2.73 116.42 117.87 3d83 h ASP 176 Ca -0.39 -0.10 0.14 0.00 0.02 0.00 0.00 57.03 56.71 3d83 h ASP 176 Cb 1.28 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.75 3d83 h ASP 176 CO 0.46 0.13 0.58 -0.78 -1.72 0.00 0.00 179.24 177.91 3d83 h ASP 177 N -0.04 0.70 0.12 6.45 3.58 -1.96 -1.60 116.42 123.68 3d83 h ASP 177 Ca 0.01 0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.45 3d83 h ASP 177 Cb 0.09 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 3d83 h ASP 177 CO -0.00 0.36 -0.19 -0.08 -2.88 0.00 0.00 179.24 176.44 3d83 h GLU 178 N 0.75 0.14 -0.32 0.28 4.81 -1.85 -2.40 114.58 115.99 3d83 h GLU 178 Ca 0.46 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 3d83 h GLU 178 Cb 0.68 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.04 3d83 h GLU 178 CO -0.22 0.33 0.00 -1.33 -0.73 0.00 0.00 179.01 177.07 3d83 n MET 179 N -4.25 2.01 -3.17 1.92 2.81 -0.62 -4.78 117.12 111.04 3d83 n MET 179 Ca -0.01 -1.54 -0.39 0.00 -1.81 0.00 0.00 57.70 53.95 3d83 n MET 179 Cb 0.29 -1.41 -0.05 0.00 -0.71 0.00 0.00 33.22 31.34 3d83 n MET 179 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3d83 s THR 180 N -1.59 5.06 0.00 2.03 2.01 -0.91 -4.82 115.64 117.43 3d83 s THR 180 Ca 0.33 1.24 0.00 0.00 0.31 0.00 0.00 61.69 63.57 3d83 s THR 180 Cb 0.18 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.75 3d83 s THR 180 CO 0.25 0.32 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 3d83 n GLY 181 N 3.00 -0.13 3.41 4.40 0.00 -1.26 -4.66 105.19 109.95 3d83 n GLY 181 Ca -0.04 -1.30 -0.44 0.00 0.00 0.00 0.00 46.02 44.24 3d83 n GLY 181 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3d83 n TYR 182 N 1.61 4.81 -3.88 1.61 9.36 -1.18 -3.78 117.16 125.71 3d83 n TYR 182 Ca 0.00 -3.33 -0.15 0.00 3.32 0.00 0.00 57.90 57.74 3d83 n TYR 182 Cb 0.00 -2.15 -0.15 0.00 -0.63 0.00 0.00 39.34 36.41 3d83 n TYR 182 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3d83 s VAL 183 N 1.32 0.07 0.40 2.97 -7.23 -1.26 -5.02 120.40 111.65 3d83 s VAL 183 Ca 0.42 0.09 0.38 0.00 -1.81 0.00 0.00 61.98 61.06 3d83 s VAL 183 Cb -0.02 -0.15 0.39 0.00 0.56 0.00 0.00 36.38 37.16 3d83 s VAL 183 CO 0.00 0.09 2.17 0.00 -0.31 0.00 0.00 175.10 177.05 3d83 h ALA 184 N 6.90 1.00 0.00 1.32 0.00 -1.95 -2.36 119.26 124.17 3d83 h ALA 184 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3d83 h ALA 184 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3d83 h ALA 184 CO 0.49 0.00 0.00 1.79 0.00 0.00 0.00 179.25 181.53 3d83 h THR 185 N 0.00 0.00 0.00 0.00 1.35 -1.95 -3.18 112.91 109.13 3d83 h THR 185 Ca 0.00 -0.08 -0.00 0.00 -0.55 0.00 0.00 66.41 65.78 3d83 h THR 185 Cb 0.06 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 67.41 3d83 h THR 185 CO 0.00 0.00 -1.19 -1.14 -0.25 0.00 0.00 175.52 172.94 3d83 n ARG 186 N -2.81 0.29 0.31 4.72 0.63 -0.89 -4.80 116.66 114.12 3d83 n ARG 186 Ca -0.02 -0.04 0.19 0.00 -0.92 0.00 0.00 57.85 57.06 3d83 n ARG 186 Cb 0.10 -1.10 1.04 0.00 0.45 0.00 0.00 32.46 32.95 3d83 n ARG 186 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 3d83 h TRP 187 N 0.00 0.00 -0.03 -0.14 6.55 -1.54 -2.41 115.95 118.38 3d83 h TRP 187 Ca -0.01 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.83 3d83 h TRP 187 Cb 0.24 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.54 3d83 h TRP 187 CO 0.00 0.01 -0.10 0.66 -1.05 0.00 0.00 178.44 177.96 3d83 n TYR 188 N -3.42 0.00 -2.80 0.49 4.01 -1.26 -4.61 117.16 109.57 3d83 n TYR 188 Ca -0.03 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.31 3d83 n TYR 188 Cb 0.10 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.08 3d83 n TYR 188 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3d83 s ARG 189 N -1.99 4.71 0.39 -0.72 0.52 -0.91 -3.94 118.95 117.01 3d83 s ARG 189 Ca 0.24 1.38 -0.27 0.00 -0.52 0.00 0.00 55.73 56.56 3d83 s ARG 189 Cb 0.18 -3.33 -0.10 0.00 0.52 0.00 0.00 34.95 32.23 3d83 s ARG 189 CO 0.34 0.37 1.39 0.00 0.02 0.00 0.00 175.30 177.43 3d83 s ALA 190 N -0.56 3.43 0.44 2.13 0.00 -1.26 -4.80 121.76 121.13 3d83 s ALA 190 Ca 0.42 1.41 0.17 0.00 0.00 0.00 0.00 51.96 53.96 3d83 s ALA 190 Cb -0.24 -3.55 1.09 0.00 0.00 0.00 0.00 23.12 20.43 3d83 s ALA 190 CO 0.29 -0.93 1.94 -1.00 0.00 0.00 0.00 175.76 176.06 3d83 h PRO 191 N 2.89 0.35 0.00 0.00 0.13 -1.95 -1.86 132.00 131.57 3d83 h PRO 191 Ca -0.50 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.55 3d83 h PRO 191 Cb 1.24 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3d83 h PRO 191 CO 0.64 0.23 -0.28 1.05 -0.23 0.00 0.00 178.00 179.41 3d83 h GLU 192 N 0.36 0.00 0.14 0.86 9.09 -1.92 -1.13 114.58 121.98 3d83 h GLU 192 Ca 0.34 0.00 -0.35 0.00 0.05 0.00 0.00 59.36 59.41 3d83 h GLU 192 Cb 0.84 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.93 3d83 h GLU 192 CO -0.10 0.28 -1.81 0.82 0.05 0.00 0.00 179.01 178.26 3d83 h ILE 193 N 0.00 0.80 -0.97 -1.06 2.04 -1.76 0.11 117.51 116.67 3d83 h ILE 193 Ca -0.00 -2.41 0.22 0.00 1.00 0.00 0.00 64.86 63.67 3d83 h ILE 193 Cb 0.58 2.62 -0.12 0.00 -0.74 0.00 0.00 36.82 39.16 3d83 h ILE 193 CO 0.04 0.84 0.55 -0.03 0.00 0.00 0.00 178.15 179.55 3d83 h MET 194 N -0.00 0.57 -0.17 2.37 4.05 -1.08 -2.78 114.93 117.91 3d83 h MET 194 Ca -0.38 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.01 3d83 h MET 194 Cb 2.00 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 32.67 3d83 h MET 194 CO 0.11 0.38 0.00 1.28 0.23 0.00 0.00 176.91 178.91 3d83 n LEU 195 N -4.89 2.45 -3.86 3.39 4.77 -0.45 -5.01 117.00 113.39 3d83 n LEU 195 Ca 0.25 -2.01 -0.30 0.00 -0.03 0.00 0.00 56.01 53.92 3d83 n LEU 195 Cb 0.67 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.65 3d83 n LEU 195 CO 0.17 0.61 -0.17 -3.20 -1.33 0.00 0.00 177.39 173.47 3d83 n ASN 196 N -0.02 -2.58 -0.01 -1.43 4.05 -0.64 -4.90 115.26 109.73 3d83 n ASN 196 Ca 0.06 -1.04 -0.15 0.00 0.45 0.00 0.00 54.58 53.89 3d83 n ASN 196 Cb 0.34 -3.04 -0.04 0.00 1.23 0.00 0.00 39.78 38.27 3d83 n ASN 196 CO 0.00 0.00 0.00 -0.50 -3.05 0.00 0.00 177.26 173.71 3d83 h TRP 197 N -1.93 0.95 -2.49 1.20 6.55 -1.10 -3.44 115.95 115.69 3d83 h TRP 197 Ca -0.65 -0.41 0.15 0.00 0.95 0.00 0.00 58.89 58.93 3d83 h TRP 197 Cb 1.37 -0.15 -0.06 0.00 -0.86 0.00 0.00 29.16 29.46 3d83 h TRP 197 CO 0.42 1.22 0.45 0.00 -1.05 0.00 0.00 178.44 179.48 3d83 s MET 198 N -3.77 1.35 0.01 0.49 0.23 -1.26 -2.37 119.30 113.98 3d83 s MET 198 Ca -0.09 -0.77 -0.31 0.00 -1.03 0.00 0.00 55.69 53.48 3d83 s MET 198 Cb 0.09 0.44 -0.10 0.00 -1.53 0.00 0.00 34.83 33.74 3d83 s MET 198 CO 0.89 -0.62 1.95 1.58 -2.03 0.00 0.00 175.02 176.79 3d83 n HIS 199 N -0.51 2.48 -2.78 3.16 -0.00 -1.26 -4.88 115.22 111.43 3d83 n HIS 199 Ca -0.05 -0.29 -0.20 0.00 -0.00 0.00 0.00 57.72 57.18 3d83 n HIS 199 Cb 0.60 -2.77 0.04 0.00 -0.00 0.00 0.00 29.99 27.86 3d83 n HIS 199 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 3d83 s TYR 200 N 4.30 2.53 0.00 1.57 -0.85 -1.26 -5.12 117.35 118.52 3d83 s TYR 200 Ca 0.90 -0.24 0.00 0.00 -0.52 0.00 0.00 57.07 57.21 3d83 s TYR 200 Cb -0.50 -2.61 0.00 0.00 0.38 0.00 0.00 41.96 39.23 3d83 s TYR 200 CO 0.44 -0.87 0.00 0.27 -1.52 0.00 0.00 175.55 173.87 3d83 n ASN 201 N -2.25 0.00 0.33 -0.18 0.23 -1.26 -5.04 115.26 107.09 3d83 n ASN 201 Ca 0.10 -0.32 0.22 0.00 -0.53 0.00 0.00 54.58 54.04 3d83 n ASN 201 Cb 0.60 0.00 1.17 0.00 -2.08 0.00 0.00 39.78 39.46 3d83 n ASN 201 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 3d83 h GLN 202 N 0.00 0.00 0.00 -3.83 3.07 -2.00 -0.59 115.11 111.76 3d83 h GLN 202 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3d83 h GLN 202 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 3d83 h GLN 202 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.83 180.71 3d83 h THR 203 N 0.00 0.00 -0.71 1.86 1.35 -1.96 -1.75 112.91 111.70 3d83 h THR 203 Ca -0.00 -0.04 0.11 0.00 -0.55 0.00 0.00 66.41 65.93 3d83 h THR 203 Cb 0.01 0.86 -0.05 0.00 -1.73 0.00 0.00 68.15 67.25 3d83 h THR 203 CO 0.00 0.00 0.47 -0.37 -0.25 0.00 0.00 175.52 175.37 3d83 h VAL 204 N 0.00 0.89 -0.09 6.82 -1.51 -1.50 -2.63 116.25 118.23 3d83 h VAL 204 Ca 0.00 -0.18 -0.11 0.00 -1.23 0.00 0.00 66.70 65.18 3d83 h VAL 204 Cb 0.04 0.31 -0.01 0.00 -2.13 0.00 0.00 31.29 29.50 3d83 h VAL 204 CO 0.00 0.10 -0.43 0.44 -1.23 0.00 0.00 177.57 176.45 3d83 h ASP 205 N 0.54 0.22 -0.42 4.19 3.32 -1.56 -2.96 116.42 119.75 3d83 h ASP 205 Ca 0.33 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 3d83 h ASP 205 Cb 0.58 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 3d83 h ASP 205 CO -0.11 0.63 0.05 0.40 -1.72 0.00 0.00 179.24 178.49 3d83 h ILE 206 N 0.18 1.23 -0.50 0.35 1.08 -1.62 -2.01 117.51 116.22 3d83 h ILE 206 Ca 0.01 -0.91 0.05 0.00 -0.39 0.00 0.00 64.86 63.62 3d83 h ILE 206 Cb 0.84 0.80 -0.05 0.00 -3.07 0.00 0.00 36.82 35.34 3d83 h ILE 206 CO 0.07 0.33 0.23 -0.25 -0.69 0.00 0.00 178.15 177.84 3d83 h TRP 207 N 0.75 0.42 -0.57 1.37 2.91 -1.52 -1.50 115.95 117.82 3d83 h TRP 207 Ca 0.15 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.13 3d83 h TRP 207 Cb 0.38 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 28.89 3d83 h TRP 207 CO 0.02 0.19 0.11 0.77 -1.03 0.00 0.00 178.44 178.50 3d83 h SER 208 N 0.45 0.88 -0.88 2.65 0.02 -1.40 -1.48 113.55 113.80 3d83 h SER 208 Ca 0.23 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 3d83 h SER 208 Cb 0.17 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 3d83 h SER 208 CO -0.18 0.91 0.47 0.58 -1.14 0.00 0.00 176.83 177.46 3d83 h VAL 209 N 0.82 1.26 -0.49 2.27 2.07 -1.00 -1.19 116.25 119.99 3d83 h VAL 209 Ca 0.17 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 67.05 3d83 h VAL 209 Cb 0.39 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 3d83 h VAL 209 CO 0.01 0.30 0.29 1.23 0.02 0.00 0.00 177.57 179.41 3d83 h GLY 210 N 1.24 0.69 0.99 2.17 0.00 -0.69 0.25 103.07 107.72 3d83 h GLY 210 Ca 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 3d83 h GLY 210 CO -0.05 0.18 0.32 0.00 0.00 0.00 0.00 176.54 177.00 3d83 h ILE 212 N 0.79 1.21 -0.78 0.00 2.04 -0.78 -2.67 117.51 117.31 3d83 h ILE 212 Ca 0.21 -0.67 0.03 0.00 1.00 0.00 0.00 64.86 65.43 3d83 h ILE 212 Cb 0.04 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 3d83 h ILE 212 CO -0.03 0.22 0.50 -0.03 0.00 0.00 0.00 178.15 178.80 3d83 h MET 213 N 0.21 0.94 -0.63 2.37 4.05 -0.39 -1.40 114.93 120.08 3d83 h MET 213 Ca 0.08 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 3d83 h MET 213 Cb 0.27 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 3d83 h MET 213 CO 0.00 0.62 0.39 0.00 0.23 0.00 0.00 176.91 178.15 3d83 h ALA 214 N 1.33 0.80 -0.20 0.39 0.00 -1.35 -2.09 119.26 118.13 3d83 h ALA 214 Ca 0.31 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 3d83 h ALA 214 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3d83 h ALA 214 CO -0.11 0.26 -0.19 1.49 0.00 0.00 0.00 179.25 180.70 3d83 h GLU 215 N 0.85 0.35 -0.51 0.00 4.81 -1.10 -1.60 114.58 117.39 3d83 h GLU 215 Ca 0.23 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.24 3d83 h GLU 215 Cb -0.05 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3d83 h GLU 215 CO -0.05 0.54 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.57 3d83 h LEU 216 N 0.32 0.97 -0.53 1.64 3.38 -0.95 0.11 115.31 120.24 3d83 h LEU 216 Ca 0.06 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 3d83 h LEU 216 Cb 0.53 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3d83 h LEU 216 CO 0.03 1.09 -0.07 -0.07 0.09 0.00 0.00 178.44 179.51 3d83 h LEU 217 N 0.85 0.99 0.00 1.67 3.38 -1.07 -3.36 115.31 117.77 3d83 h LEU 217 Ca 0.13 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3d83 h LEU 217 Cb 0.68 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3d83 h LEU 217 CO 0.05 1.10 -1.76 0.35 0.09 0.00 0.00 178.44 178.27 3d83 n THR 218 N -4.20 0.02 -0.93 0.22 -2.24 -0.63 -5.00 114.28 101.52 3d83 n THR 218 Ca 0.01 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3d83 n THR 218 Cb 0.38 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3d83 n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d83 n GLY 219 N 1.58 0.53 3.06 3.38 0.00 0.36 -5.04 105.19 109.06 3d83 n GLY 219 Ca -0.03 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 3d83 n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d83 s ARG 220 N -0.20 0.54 0.32 1.61 1.81 -1.23 -5.01 118.95 116.79 3d83 s ARG 220 Ca 0.00 -0.72 -0.29 0.00 -1.72 0.00 0.00 55.73 53.00 3d83 s ARG 220 Cb 0.00 -0.35 -0.11 0.00 -0.45 0.00 0.00 34.95 34.04 3d83 s ARG 220 CO 0.00 0.07 1.51 0.99 -0.68 0.00 0.00 175.30 177.19 3d83 s THR 221 N -1.25 2.19 -0.04 0.02 2.01 -1.26 -4.06 115.64 113.25 3d83 s THR 221 Ca -0.08 0.17 -0.26 0.00 0.31 0.00 0.00 61.69 61.83 3d83 s THR 221 Cb -0.09 -3.11 -0.21 0.00 0.01 0.00 0.00 72.50 69.10 3d83 s THR 221 CO 0.00 0.03 1.17 0.25 -0.69 0.00 0.00 174.62 175.39 3d83 h LEU 222 N 4.11 0.05 -6.14 4.42 5.85 -1.92 -3.38 115.31 118.30 3d83 h LEU 222 Ca -0.48 -0.59 -0.59 0.00 0.84 0.00 0.00 57.88 57.05 3d83 h LEU 222 Cb 1.23 -0.02 -0.41 0.00 0.37 0.00 0.00 40.66 41.83 3d83 h LEU 222 CO 0.73 0.64 -0.76 0.49 -0.34 0.00 0.00 178.44 179.19 3d83 n PHE 223 N -4.76 2.30 -1.72 1.25 3.72 -1.26 -5.02 117.46 111.97 3d83 n PHE 223 Ca -0.09 -3.96 -0.42 0.00 -0.05 0.00 0.00 57.45 52.94 3d83 n PHE 223 Cb 0.32 -0.49 -0.00 0.00 -0.94 0.00 0.00 39.48 38.37 3d83 n PHE 223 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3d83 n PRO 224 N 1.05 3.09 -2.09 -1.08 -0.04 -1.26 -4.71 135.00 129.97 3d83 n PRO 224 Ca 0.27 -2.64 -0.38 0.00 -0.04 0.00 0.00 63.50 60.71 3d83 n PRO 224 Cb 0.45 -3.17 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 3d83 n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3d83 s GLY 225 N 2.77 2.87 0.00 0.55 0.00 -1.26 -4.94 107.32 107.31 3d83 s GLY 225 Ca 0.50 1.14 0.28 0.00 0.00 0.00 0.00 44.72 46.64 3d83 s GLY 225 CO -0.08 1.67 1.91 -1.30 0.00 0.00 0.00 173.10 175.30 3d83 n THR 226 N -0.26 0.05 -3.86 0.90 -2.24 -1.26 -4.30 114.28 103.32 3d83 n THR 226 Ca 0.06 0.01 0.01 0.00 -2.27 0.00 0.00 64.05 61.85 3d83 n THR 226 Cb 0.45 -0.52 0.01 0.00 -2.10 0.00 0.00 70.33 68.17 3d83 n THR 226 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3d83 s ASP 227 N -3.01 -0.02 0.23 3.42 1.47 -1.25 -3.13 116.67 114.38 3d83 s ASP 227 Ca 0.14 -0.32 -0.06 0.00 1.18 0.00 0.00 52.55 53.49 3d83 s ASP 227 Cb 0.19 0.26 0.36 0.00 -0.34 0.00 0.00 42.92 43.39 3d83 s ASP 227 CO 0.52 -0.51 1.78 0.45 0.68 0.00 0.00 175.17 178.09 3d83 h HIS 228 N 2.00 0.65 -0.02 2.11 3.86 -1.88 -1.29 115.15 120.58 3d83 h HIS 228 Ca -0.26 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 58.92 3d83 h HIS 228 Cb 1.20 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.49 3d83 h HIS 228 CO 1.07 0.23 -0.25 0.82 0.86 0.00 0.00 177.93 180.66 3d83 h ILE 229 N 0.61 1.50 -0.87 2.45 1.08 -1.99 -1.97 117.51 118.31 3d83 h ILE 229 Ca 0.36 -1.81 0.18 0.00 -0.39 0.00 0.00 64.86 63.20 3d83 h ILE 229 Cb 0.40 2.58 -0.11 0.00 -3.07 0.00 0.00 36.82 36.62 3d83 h ILE 229 CO -0.28 0.50 0.43 -0.78 -0.69 0.00 0.00 178.15 177.33 3d83 h ASP 230 N -0.39 0.46 -0.53 1.72 3.58 -1.94 -1.77 116.42 117.55 3d83 h ASP 230 Ca -0.02 0.12 -0.11 0.00 0.42 0.00 0.00 57.03 57.43 3d83 h ASP 230 Cb 0.95 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.04 3d83 h ASP 230 CO 0.05 0.13 -0.10 -0.61 -2.88 0.00 0.00 179.24 175.83 3d83 h GLN 231 N 0.54 1.01 -0.45 0.28 4.15 -1.16 -1.70 115.11 117.78 3d83 h GLN 231 Ca 0.51 -0.38 0.04 0.00 0.77 0.00 0.00 58.65 59.59 3d83 h GLN 231 Cb 0.83 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.42 3d83 h GLN 231 CO -0.43 1.06 0.23 1.25 -1.93 0.00 0.00 178.83 179.01 3d83 h LEU 232 N 0.89 0.33 -0.25 -2.39 5.85 -0.95 -1.08 115.31 117.71 3d83 h LEU 232 Ca 0.14 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3d83 h LEU 232 Cb 0.67 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 3d83 h LEU 232 CO 0.05 0.24 0.04 0.11 -0.34 0.00 0.00 178.44 178.53 3d83 h LYS 233 N 0.45 0.13 -0.65 1.25 1.57 -1.01 0.19 116.57 118.50 3d83 h LYS 233 Ca 0.19 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.08 3d83 h LYS 233 Cb 0.10 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.29 3d83 h LYS 233 CO -0.13 0.08 0.21 -0.07 -0.57 0.00 0.00 179.45 178.97 3d83 h LEU 234 N 0.13 0.15 0.28 2.94 3.38 -1.00 -1.20 115.31 119.98 3d83 h LEU 234 Ca 0.12 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3d83 h LEU 234 Cb 0.12 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3d83 h LEU 234 CO -0.16 0.07 -0.13 0.40 0.09 0.00 0.00 178.44 178.71 3d83 h ILE 235 N 0.36 0.76 -0.15 1.22 2.04 -0.79 -3.01 117.51 117.94 3d83 h ILE 235 Ca 0.34 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.88 3d83 h ILE 235 Cb 0.49 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3d83 h ILE 235 CO -0.38 0.06 -0.17 -0.07 0.00 0.00 0.00 178.15 177.59 3d83 h LEU 236 N -0.51 0.23 -1.04 1.44 3.38 -0.83 -0.77 115.31 117.20 3d83 h LEU 236 Ca -0.04 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 57.95 3d83 h LEU 236 Cb 0.38 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 3d83 h LEU 236 CO 0.06 0.42 0.64 -0.09 0.09 0.00 0.00 178.44 179.56 3d83 h ARG 237 N 0.22 1.11 0.03 1.13 2.43 -1.22 0.43 114.38 118.51 3d83 h ARG 237 Ca 0.04 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3d83 h ARG 237 Cb 0.44 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3d83 h ARG 237 CO 0.03 0.73 -0.01 1.25 -1.51 0.00 0.00 179.97 180.45 3d83 h LEU 238 N 1.14 -0.03 -0.88 3.80 5.85 -1.19 -3.39 115.31 120.61 3d83 h LEU 238 Ca 0.43 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3d83 h LEU 238 Cb 0.19 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3d83 h LEU 238 CO -0.17 0.73 -0.31 1.33 -0.34 0.00 0.00 178.44 179.69 3d83 n VAL 239 N -4.72 0.00 0.00 1.05 0.24 -0.38 -1.17 118.33 113.35 3d83 n VAL 239 Ca -0.07 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 3d83 n VAL 239 Cb 0.31 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 3d83 n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3d83 n GLY 240 N 1.36 -0.19 3.76 7.63 0.00 0.14 -4.29 105.19 113.60 3d83 n GLY 240 Ca 0.12 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 3d83 n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d83 s THR 241 N -2.80 2.75 0.71 2.61 -4.23 -0.74 -4.73 115.64 109.20 3d83 s THR 241 Ca 0.00 0.49 -0.14 0.00 -1.18 0.00 0.00 61.69 60.86 3d83 s THR 241 Cb 0.00 -3.21 0.03 0.00 1.34 0.00 0.00 72.50 70.66 3d83 s THR 241 CO 0.00 -0.08 1.15 -2.16 -0.54 0.00 0.00 174.62 172.99 3d83 s PRO 242 N -3.18 2.39 0.66 3.99 0.04 -1.26 -4.88 135.00 132.76 3d83 s PRO 242 Ca 0.74 1.53 0.03 0.00 0.04 0.00 0.00 61.00 63.33 3d83 s PRO 242 Cb -0.30 -1.89 0.11 0.00 0.04 0.00 0.00 34.50 32.46 3d83 s PRO 242 CO 0.33 -1.60 0.91 0.20 0.04 0.00 0.00 177.00 176.89 3d83 s GLY 243 N -2.43 1.76 0.29 0.56 0.00 -1.26 -4.91 107.32 101.32 3d83 s GLY 243 Ca 0.69 -1.85 0.03 0.00 0.00 0.00 0.00 44.72 43.59 3d83 s GLY 243 CO 0.45 -1.33 1.79 0.00 0.00 0.00 0.00 173.10 174.00 3d83 h ALA 244 N -0.26 1.54 -0.38 3.20 0.00 -1.99 -1.87 119.26 119.50 3d83 h ALA 244 Ca -0.34 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3d83 h ALA 244 Cb 1.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3d83 h ALA 244 CO 0.41 0.01 0.22 1.49 0.00 0.00 0.00 179.25 181.37 3d83 h GLU 245 N 0.79 0.53 -0.07 0.00 4.81 -2.01 -1.85 114.58 116.78 3d83 h GLU 245 Ca 0.53 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.66 3d83 h GLU 245 Cb 0.74 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 3d83 h GLU 245 CO -0.35 0.42 -0.12 1.25 -0.73 0.00 0.00 179.01 179.48 3d83 h LEU 246 N 0.49 0.23 -0.82 1.64 5.85 -1.86 -3.27 115.31 117.58 3d83 h LEU 246 Ca 0.14 -0.55 0.19 0.00 0.84 0.00 0.00 57.88 58.49 3d83 h LEU 246 Cb 0.04 -0.07 -0.15 0.00 0.37 0.00 0.00 40.66 40.85 3d83 h LEU 246 CO -0.02 0.73 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.67 3d83 h LEU 247 N -0.27 -0.52 -1.94 2.25 3.38 -1.23 0.15 115.31 117.13 3d83 h LEU 247 Ca 0.00 0.23 0.16 0.00 0.09 0.00 0.00 57.88 58.36 3d83 h LEU 247 Cb 0.69 0.43 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 3d83 h LEU 247 CO 0.03 -0.24 0.41 0.11 0.09 0.00 0.00 178.44 178.84 3d83 h LYS 248 N 0.05 0.06 0.00 1.13 1.57 -1.38 -1.88 116.57 116.12 3d83 h LYS 248 Ca 0.44 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 3d83 h LYS 248 Cb 0.77 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3d83 h LYS 248 CO -0.78 0.04 -0.25 1.63 -0.57 0.00 0.00 179.45 179.52 3d83 n LYS 249 N -4.39 0.21 -2.53 3.15 5.02 0.50 -4.59 118.16 115.52 3d83 n LYS 249 Ca 0.11 0.12 -0.41 0.00 -2.02 0.00 0.00 58.31 56.11 3d83 n LYS 249 Cb 0.61 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 3d83 n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3d83 s ILE 250 N -3.10 3.72 -0.19 -0.18 1.01 -0.71 -4.77 121.20 116.98 3d83 s ILE 250 Ca 0.10 0.34 0.29 0.00 0.00 0.00 0.00 60.65 61.37 3d83 s ILE 250 Cb 0.14 -4.89 0.36 0.00 0.01 0.00 0.00 42.46 38.08 3d83 s ILE 250 CO 0.64 -1.83 1.81 0.77 0.00 0.00 0.00 174.94 176.33 3d83 h SER 251 N 10.20 0.00 -3.01 3.58 4.64 -1.72 -3.41 113.55 123.83 3d83 h SER 251 Ca -0.25 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.51 3d83 h SER 251 Cb 1.05 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.09 3d83 h SER 251 CO 1.29 0.00 1.12 -0.55 -0.87 0.00 0.00 176.83 177.82 3d83 s SER 252 N -5.72 6.16 0.40 4.97 0.15 -1.15 -4.88 113.70 113.62 3d83 s SER 252 Ca 0.04 0.71 0.07 0.00 0.70 0.00 0.00 55.95 57.47 3d83 s SER 252 Cb 0.08 -2.54 0.84 0.00 -1.71 0.00 0.00 66.02 62.69 3d83 s SER 252 CO 0.58 -1.60 2.02 -0.33 1.20 0.00 0.00 173.24 175.12 3d83 h GLU 253 N 11.32 0.59 0.05 5.44 4.39 -1.94 -1.57 114.58 132.86 3d83 h GLU 253 Ca -0.28 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.38 3d83 h GLU 253 Cb 1.11 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 3d83 h GLU 253 CO 1.11 0.39 -0.03 1.03 -1.16 0.00 0.00 179.01 180.35 3d83 h SER 254 N 0.60 -0.06 -0.78 1.42 0.87 -1.95 -2.12 113.55 111.53 3d83 h SER 254 Ca 0.21 -0.47 0.05 0.00 -1.23 0.00 0.00 61.79 60.35 3d83 h SER 254 Cb 0.08 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.01 3d83 h SER 254 CO -0.05 0.46 0.51 0.00 -0.53 0.00 0.00 176.83 177.21 3d83 h ALA 255 N 0.28 1.60 -0.29 6.23 0.00 -1.89 -2.12 119.26 123.07 3d83 h ALA 255 Ca -0.01 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3d83 h ALA 255 Cb 0.53 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3d83 h ALA 255 CO 0.01 0.29 -0.07 -0.09 0.00 0.00 0.00 179.25 179.39 3d83 h ARG 256 N 0.88 0.57 -0.32 0.00 2.43 -1.23 -2.24 114.38 114.47 3d83 h ARG 256 Ca 0.33 -0.22 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3d83 h ARG 256 Cb 0.17 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3d83 h ARG 256 CO -0.11 0.77 -0.05 -0.97 -1.51 0.00 0.00 179.97 178.10 3d83 h ASN 257 N 0.33 0.49 -0.21 -3.80 -1.24 -1.13 -2.61 115.58 107.41 3d83 h ASN 257 Ca 0.07 -0.11 -0.07 0.00 0.71 0.00 0.00 56.30 56.91 3d83 h ASN 257 Cb 0.56 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.47 3d83 h ASN 257 CO 0.03 0.60 -0.14 0.22 -1.29 0.00 0.00 177.43 176.85 3d83 h TYR 258 N 0.49 0.55 0.00 0.67 3.20 -1.18 -3.13 116.97 117.58 3d83 h TYR 258 Ca 0.10 -0.15 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 3d83 h TYR 258 Cb 0.40 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 3d83 h TYR 258 CO 0.01 0.78 -0.26 0.97 -1.64 0.00 0.00 178.16 178.03 3d83 h ILE 259 N 0.16 1.17 0.00 1.81 2.10 -1.26 -0.93 117.51 120.56 3d83 h ILE 259 Ca 0.04 -0.89 0.00 0.00 1.08 0.00 0.00 64.86 65.09 3d83 h ILE 259 Cb 0.66 1.48 0.00 0.00 -1.09 0.00 0.00 36.82 37.87 3d83 h ILE 259 CO 0.04 0.25 0.00 0.00 -1.08 0.00 0.00 178.15 177.36 3d83 n GLN 260 N -4.21 0.20 0.04 2.19 6.02 -1.00 -2.47 117.38 118.15 3d83 n GLN 260 Ca -0.02 0.38 0.12 0.00 -0.01 0.00 0.00 57.00 57.47 3d83 n GLN 260 Cb 0.31 -1.85 0.48 0.00 1.02 0.00 0.00 30.24 30.21 3d83 n GLN 260 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3d83 n SER 261 N -2.21 0.28 -4.81 1.08 3.41 -0.35 -4.87 113.62 106.14 3d83 n SER 261 Ca 0.03 0.54 -0.37 0.00 -0.26 0.00 0.00 58.87 58.81 3d83 n SER 261 Cb 0.26 -0.61 -0.06 0.00 -0.26 0.00 0.00 64.21 63.54 3d83 n SER 261 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3d83 s LEU 262 N -3.56 4.41 0.15 1.04 1.43 -1.03 -5.02 118.68 116.10 3d83 s LEU 262 Ca 0.10 1.37 -0.31 0.00 -1.03 0.00 0.00 54.13 54.26 3d83 s LEU 262 Cb 0.14 -3.37 -0.11 0.00 0.03 0.00 0.00 46.19 42.88 3d83 s LEU 262 CO 0.47 0.11 1.71 -0.89 0.23 0.00 0.00 176.35 177.98 3d83 s THR 263 N -1.39 2.45 0.28 5.49 2.01 -1.26 -4.92 115.64 118.31 3d83 s THR 263 Ca 0.39 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 62.27 3d83 s THR 263 Cb -0.18 -3.12 -0.12 0.00 0.01 0.00 0.00 72.50 69.09 3d83 s THR 263 CO 0.21 0.01 1.53 0.00 -0.69 0.00 0.00 174.62 175.67 3d83 n GLN 264 N 4.72 2.48 -4.55 4.92 6.02 -1.26 -4.93 117.38 124.79 3d83 n GLN 264 Ca 0.16 0.88 -0.21 0.00 -0.01 0.00 0.00 57.00 57.82 3d83 n GLN 264 Cb 0.38 -2.62 -0.15 0.00 1.02 0.00 0.00 30.24 28.87 3d83 n GLN 264 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3d83 s MET 265 N -0.57 1.00 0.57 -1.09 -1.94 -1.26 -5.00 119.30 111.01 3d83 s MET 265 Ca 0.65 -0.45 -0.11 0.00 -1.71 0.00 0.00 55.69 54.07 3d83 s MET 265 Cb -0.54 -0.96 -0.05 0.00 2.01 0.00 0.00 34.83 35.29 3d83 s MET 265 CO 0.50 0.26 0.98 -1.25 -0.01 0.00 0.00 175.02 175.50 3d83 s PRO 266 N -0.31 3.66 0.24 2.03 0.04 -1.26 -1.79 135.00 137.60 3d83 s PRO 266 Ca 0.05 0.70 -0.31 0.00 0.04 0.00 0.00 61.00 61.47 3d83 s PRO 266 Cb -0.05 -2.14 -0.11 0.00 0.04 0.00 0.00 34.50 32.24 3d83 s PRO 266 CO -0.00 -0.44 1.62 0.21 0.04 0.00 0.00 177.00 178.42 3d83 s LYS 267 N -4.87 4.15 0.85 4.56 2.20 -1.26 -4.11 119.74 121.25 3d83 s LYS 267 Ca 0.54 2.53 -0.12 0.00 -0.36 0.00 0.00 55.97 58.57 3d83 s LYS 267 Cb -0.11 -3.07 0.10 0.00 -1.51 0.00 0.00 37.83 33.25 3d83 s LYS 267 CO 0.48 -0.65 1.10 -1.64 -0.36 0.00 0.00 175.35 174.28 3d83 s MET 268 N 0.35 1.66 -0.49 4.03 -1.94 -0.31 -4.91 119.30 117.69 3d83 s MET 268 Ca 0.68 0.63 -0.28 0.00 -1.71 0.00 0.00 55.69 55.01 3d83 s MET 268 Cb -0.47 -1.87 0.03 0.00 2.01 0.00 0.00 34.83 34.53 3d83 s MET 268 CO 0.39 -1.91 1.10 1.21 -0.01 0.00 0.00 175.02 175.79 3d83 s ASN 269 N -3.78 6.57 0.46 3.03 3.84 -1.26 -4.93 114.94 118.87 3d83 s ASN 269 Ca 0.62 0.32 0.22 0.00 0.21 0.00 0.00 52.86 54.23 3d83 s ASN 269 Cb -0.16 -2.53 1.12 0.00 -0.55 0.00 0.00 41.25 39.14 3d83 s ASN 269 CO 0.55 -1.24 1.95 -0.26 -2.79 0.00 0.00 177.10 175.30 3d83 h PHE 270 N 9.25 0.00 0.00 0.43 -1.00 -1.95 -0.94 116.94 122.72 3d83 h PHE 270 Ca -0.24 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.52 3d83 h PHE 270 Cb 1.06 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.62 3d83 h PHE 270 CO 0.96 0.22 -0.10 0.00 -1.61 0.00 0.00 178.31 177.78 3d83 h ALA 271 N 1.78 1.17 0.00 2.45 0.00 -1.91 0.35 119.26 123.10 3d83 h ALA 271 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3d83 h ALA 271 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3d83 h ALA 271 CO 0.03 0.12 -0.91 0.09 0.00 0.00 0.00 179.25 178.58 3d83 n ASN 272 N -3.45 0.64 -0.03 0.00 3.02 -0.38 -3.85 115.26 111.20 3d83 n ASN 272 Ca -0.01 -0.28 -0.22 0.00 -0.03 0.00 0.00 54.58 54.04 3d83 n ASN 272 Cb 0.25 0.68 -0.13 0.00 -0.61 0.00 0.00 39.78 39.97 3d83 n ASN 272 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3d83 h VAL 273 N 0.00 0.81 -2.42 2.41 2.07 -1.15 -3.40 116.25 114.56 3d83 h VAL 273 Ca 0.00 -2.30 -0.77 0.00 0.82 0.00 0.00 66.70 64.46 3d83 h VAL 273 Cb 0.67 2.45 -0.30 0.00 -1.52 0.00 0.00 31.29 32.58 3d83 h VAL 273 CO 0.00 0.66 0.64 0.49 0.02 0.00 0.00 177.57 179.37 3d83 n PHE 274 N -3.90 2.86 -1.67 1.57 3.72 0.07 -5.05 117.46 115.05 3d83 n PHE 274 Ca -0.31 -2.86 -0.46 0.00 -0.05 0.00 0.00 57.45 53.77 3d83 n PHE 274 Cb 0.89 -1.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.32 3d83 n PHE 274 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3d83 n ILE 275 N 0.33 0.07 0.00 4.37 5.41 -1.25 -2.03 119.36 126.26 3d83 n ILE 275 Ca 0.38 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 64.12 3d83 n ILE 275 Cb 0.31 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.61 3d83 n ILE 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3d83 n GLY 276 N 3.58 2.07 3.75 7.39 0.00 -1.26 -5.03 105.19 115.69 3d83 n GLY 276 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3d83 n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d83 s ALA 277 N -2.44 2.39 -0.05 4.61 0.00 -0.86 -4.94 121.76 120.47 3d83 s ALA 277 Ca 0.00 0.75 -0.35 0.00 0.00 0.00 0.00 51.96 52.36 3d83 s ALA 277 Cb 0.00 -3.39 -0.13 0.00 0.00 0.00 0.00 23.12 19.60 3d83 s ALA 277 CO 0.00 -1.40 1.75 -1.71 0.00 0.00 0.00 175.76 174.39 3d83 n ASN 278 N -2.28 3.04 -0.29 0.00 2.85 -1.26 -4.86 115.26 112.46 3d83 n ASN 278 Ca 0.12 1.03 0.32 0.00 -0.11 0.00 0.00 54.58 55.93 3d83 n ASN 278 Cb 0.51 -1.33 0.70 0.00 1.24 0.00 0.00 39.78 40.90 3d83 n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3d83 h PRO 279 N 7.75 0.07 -0.07 1.20 0.11 -1.98 0.20 132.00 139.28 3d83 h PRO 279 Ca -0.47 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 3d83 h PRO 279 Cb 1.28 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3d83 h PRO 279 CO 0.92 0.04 -0.56 -0.07 -0.21 0.00 0.00 178.00 178.13 3d83 h LEU 280 N 0.07 0.23 -0.50 2.35 3.38 -2.00 -0.93 115.31 117.91 3d83 h LEU 280 Ca 0.54 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 58.25 3d83 h LEU 280 Cb 2.01 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 3d83 h LEU 280 CO -0.06 0.74 -0.30 0.00 0.09 0.00 0.00 178.44 178.91 3d83 h ALA 281 N 1.27 0.69 -0.50 1.53 0.00 -1.02 -2.11 119.26 119.12 3d83 h ALA 281 Ca -0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 3d83 h ALA 281 Cb 1.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3d83 h ALA 281 CO 0.08 0.67 0.20 0.28 0.00 0.00 0.00 179.25 180.48 3d83 h VAL 282 N 0.77 1.21 -0.18 0.00 2.07 -0.99 -2.02 116.25 117.12 3d83 h VAL 282 Ca 0.08 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3d83 h VAL 282 Cb 0.87 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3d83 h VAL 282 CO 0.08 0.25 0.12 -0.78 0.02 0.00 0.00 177.57 177.26 3d83 h ASP 283 N 0.66 0.20 -0.93 0.57 3.58 -1.12 -1.86 116.42 117.52 3d83 h ASP 283 Ca 0.17 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 3d83 h ASP 283 Cb 0.20 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.16 3d83 h ASP 283 CO -0.01 0.15 0.56 0.25 -2.88 0.00 0.00 179.24 177.30 3d83 h LEU 284 N 0.24 1.13 -0.88 2.28 5.85 -1.22 -2.49 115.31 120.22 3d83 h LEU 284 Ca 0.07 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3d83 h LEU 284 Cb -0.02 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 40.68 3d83 h LEU 284 CO -0.02 0.87 0.46 -0.07 -0.34 0.00 0.00 178.44 179.34 3d83 h LEU 285 N 1.29 1.11 -1.76 2.25 3.38 -1.07 -1.49 115.31 119.03 3d83 h LEU 285 Ca 0.33 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3d83 h LEU 285 Cb -0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 3d83 h LEU 285 CO -0.06 0.91 0.17 -0.33 0.09 0.00 0.00 178.44 179.22 3d83 h GLU 286 N 1.23 0.33 0.00 1.13 5.08 -0.92 -0.72 114.58 120.71 3d83 h GLU 286 Ca 0.31 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 3d83 h GLU 286 Cb 0.06 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3d83 h GLU 286 CO -0.05 0.22 -0.41 0.87 -1.00 0.00 0.00 179.01 178.64 3d83 h LYS 287 N 0.34 0.00 0.09 2.33 1.57 -0.98 -3.36 116.57 116.56 3d83 h LYS 287 Ca 0.09 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.55 3d83 h LYS 287 Cb -0.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3d83 h LYS 287 CO -0.02 0.07 -1.75 0.52 -0.57 0.00 0.00 179.45 177.70 3d83 h MET 288 N 0.00 0.19 -2.76 3.15 2.86 -1.08 -1.55 114.93 115.74 3d83 h MET 288 Ca -0.01 -0.33 -0.75 0.00 -2.06 0.00 0.00 59.70 56.55 3d83 h MET 288 Cb 1.07 0.12 -0.14 0.00 0.06 0.00 0.00 31.60 32.71 3d83 h MET 288 CO 0.01 1.16 2.20 1.28 1.06 0.00 0.00 176.91 182.62 3d83 n LEU 289 N -3.79 7.71 -4.48 1.22 4.77 -0.29 -4.43 117.00 117.71 3d83 n LEU 289 Ca -0.32 -4.89 -0.34 0.00 -0.03 0.00 0.00 56.01 50.43 3d83 n LEU 289 Cb 0.93 -1.37 -0.12 0.00 -2.33 0.00 0.00 43.42 40.54 3d83 n LEU 289 CO 0.36 1.93 -0.34 -0.69 -1.33 0.00 0.00 177.39 177.32 3d83 s VAL 290 N -1.16 3.94 0.17 4.08 1.01 -1.26 -4.89 120.40 122.29 3d83 s VAL 290 Ca 0.50 -0.33 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 3d83 s VAL 290 Cb 0.17 -2.75 0.06 0.00 0.00 0.00 0.00 36.38 33.85 3d83 s VAL 290 CO -0.07 0.46 1.82 0.25 0.00 0.00 0.00 175.10 177.56 3d83 h LEU 291 N 7.07 0.52 -8.68 3.92 5.85 -1.91 -3.39 115.31 118.69 3d83 h LEU 291 Ca -0.34 -0.00 -0.55 0.00 0.84 0.00 0.00 57.88 57.83 3d83 h LEU 291 Cb 1.18 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 3d83 h LEU 291 CO 0.62 0.37 1.12 -0.62 -0.34 0.00 0.00 178.44 179.60 3d83 s ASP 292 N -5.61 6.12 0.54 1.25 -1.08 -1.26 -4.88 116.67 111.76 3d83 s ASP 292 Ca -0.13 0.59 0.21 0.00 -0.52 0.00 0.00 52.55 52.70 3d83 s ASP 292 Cb 0.12 -2.54 1.45 0.00 -1.46 0.00 0.00 42.92 40.49 3d83 s ASP 292 CO 0.74 -1.65 2.16 0.77 0.52 0.00 0.00 175.17 177.70 3d83 h SER 293 N 11.38 0.00 -0.58 -0.34 4.64 -1.97 0.44 113.55 127.12 3d83 h SER 293 Ca -0.28 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.21 3d83 h SER 293 Cb 1.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 3d83 h SER 293 CO 1.13 0.00 0.48 0.44 -0.87 0.00 0.00 176.83 178.01 3d83 h ASP 294 N 0.00 0.00 -0.01 4.97 3.32 -1.94 -3.09 116.42 119.67 3d83 h ASP 294 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3d83 h ASP 294 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3d83 h ASP 294 CO -0.00 0.00 -0.19 0.29 -1.72 0.00 0.00 179.24 177.62 3d83 n LYS 295 N -4.05 1.59 -2.09 3.56 5.02 0.14 -4.99 118.16 117.35 3d83 n LYS 295 Ca 0.11 -0.89 -0.38 0.00 -2.02 0.00 0.00 58.31 55.12 3d83 n LYS 295 Cb 0.71 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 3d83 n LYS 295 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3d83 s ARG 296 N -1.50 3.74 0.48 1.97 0.52 -1.17 -5.00 118.95 118.00 3d83 s ARG 296 Ca 0.12 2.02 -0.24 0.00 -0.52 0.00 0.00 55.73 57.12 3d83 s ARG 296 Cb 0.11 -2.54 -0.07 0.00 0.52 0.00 0.00 34.95 32.97 3d83 s ARG 296 CO 0.28 -0.63 1.39 -1.50 0.02 0.00 0.00 175.30 174.86 3d83 s ILE 297 N -1.37 2.11 0.59 1.52 2.07 -0.58 -5.04 121.20 120.50 3d83 s ILE 297 Ca 0.62 0.09 -0.03 0.00 -1.41 0.00 0.00 60.65 59.92 3d83 s ILE 297 Cb -0.35 -3.05 0.03 0.00 0.13 0.00 0.00 42.46 39.22 3d83 s ILE 297 CO 0.43 0.01 0.86 0.42 -1.91 0.00 0.00 174.94 174.75 3d83 s THR 298 N -1.25 3.03 0.17 4.00 -4.23 -1.26 -4.91 115.64 111.20 3d83 s THR 298 Ca 0.65 -0.34 -0.13 0.00 -1.18 0.00 0.00 61.69 60.69 3d83 s THR 298 Cb -0.42 -3.20 0.07 0.00 1.34 0.00 0.00 72.50 70.29 3d83 s THR 298 CO 0.53 -0.18 1.81 0.00 -0.54 0.00 0.00 174.62 176.23 3d83 h ALA 299 N -0.14 0.72 -0.64 3.99 0.00 -1.94 -0.27 119.26 120.99 3d83 h ALA 299 Ca -0.44 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 3d83 h ALA 299 Cb 1.28 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3d83 h ALA 299 CO 0.58 0.21 0.23 0.00 0.00 0.00 0.00 179.25 180.27 3d83 h ALA 300 N 1.16 0.84 -0.45 0.00 0.00 -1.94 -1.96 119.26 116.91 3d83 h ALA 300 Ca 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3d83 h ALA 300 Cb -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3d83 h ALA 300 CO -0.04 0.48 0.20 1.96 0.00 0.00 0.00 179.25 181.85 3d83 h GLN 301 N 0.91 0.67 -0.38 0.00 4.20 -1.91 -3.20 115.11 115.39 3d83 h GLN 301 Ca 0.21 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 3d83 h GLN 301 Cb 0.25 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3d83 h GLN 301 CO -0.01 0.59 0.07 0.00 -0.67 0.00 0.00 178.83 178.81 3d83 h ALA 302 N 1.04 1.40 -0.01 3.87 0.00 -0.62 -2.70 119.26 122.24 3d83 h ALA 302 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3d83 h ALA 302 Cb 0.16 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3d83 h ALA 302 CO -0.02 0.43 0.01 -0.07 0.00 0.00 0.00 179.25 179.60 3d83 h LEU 303 N 0.56 0.00 -1.07 0.00 3.38 -1.36 -0.81 115.31 116.01 3d83 h LEU 303 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3d83 h LEU 303 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3d83 h LEU 303 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3d83 n ALA 304 N -2.45 2.56 -1.78 1.53 0.00 -1.02 -4.74 120.51 114.61 3d83 n ALA 304 Ca -0.03 -0.48 -0.41 0.00 0.00 0.00 0.00 53.44 52.53 3d83 n ALA 304 Cb 0.10 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 3d83 n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3d83 s HIS 305 N -1.98 2.94 0.55 0.00 5.04 -0.31 -4.91 115.29 116.62 3d83 s HIS 305 Ca 0.37 1.35 0.30 0.00 -1.54 0.00 0.00 55.06 55.54 3d83 s HIS 305 Cb 0.21 -3.76 1.47 0.00 0.04 0.00 0.00 32.58 30.53 3d83 s HIS 305 CO 0.33 -2.14 1.90 0.00 -2.34 0.00 0.00 174.74 172.48 3d83 h ALA 306 N 3.34 2.68 -0.73 1.58 0.00 -1.92 -1.52 119.26 122.68 3d83 h ALA 306 Ca -0.49 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 54.59 3d83 h ALA 306 Cb 1.23 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 3d83 h ALA 306 CO 0.65 -0.98 0.52 -0.92 0.00 0.00 0.00 179.25 178.52 3d83 h TYR 307 N 0.00 0.12 -0.49 0.00 3.20 -1.91 -2.39 116.97 115.50 3d83 h TYR 307 Ca 0.36 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.24 3d83 h TYR 307 Cb 1.53 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.77 3d83 h TYR 307 CO 0.00 0.04 0.00 1.19 -1.64 0.00 0.00 178.16 177.75 3d83 n PHE 308 N -4.37 1.47 -0.28 -3.82 3.72 -0.57 -4.69 117.46 108.93 3d83 n PHE 308 Ca 0.15 -0.72 0.29 0.00 -0.05 0.00 0.00 57.45 57.12 3d83 n PHE 308 Cb 0.74 -0.34 0.66 0.00 -0.94 0.00 0.00 39.48 39.59 3d83 n PHE 308 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3d83 h ALA 309 N 3.27 2.74 0.00 4.37 0.00 -1.56 0.23 119.26 128.30 3d83 h ALA 309 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3d83 h ALA 309 Cb 1.59 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 3d83 h ALA 309 CO 0.30 -1.07 -0.42 0.37 0.00 0.00 0.00 179.25 178.44 3d83 h GLN 310 N 0.14 0.00 0.00 0.00 5.75 -1.86 -3.34 115.11 115.80 3d83 h GLN 310 Ca 0.53 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.94 3d83 h GLN 310 Cb 1.83 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.36 3d83 h GLN 310 CO -0.10 0.42 -1.54 0.66 -2.65 0.00 0.00 178.83 175.62 3d83 n TYR 311 N -3.56 0.00 -1.77 3.99 4.01 0.64 -5.03 117.16 115.43 3d83 n TYR 311 Ca -0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 3d83 n TYR 311 Cb 0.53 -0.34 -0.03 0.00 -0.31 0.00 0.00 39.34 39.19 3d83 n TYR 311 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3d83 s HIS 312 N -2.43 2.07 -0.24 -0.72 2.46 -0.18 -4.98 115.29 111.27 3d83 s HIS 312 Ca -0.04 -0.00 -0.02 0.00 0.47 0.00 0.00 55.06 55.46 3d83 s HIS 312 Cb 0.04 -4.13 0.08 0.00 -0.13 0.00 0.00 32.58 28.44 3d83 s HIS 312 CO 0.38 -4.70 0.07 0.34 -2.47 0.00 0.00 174.74 168.35 3d83 s ASP 313 N 2.93 3.36 0.29 9.88 -1.08 -1.26 -5.00 116.67 125.79 3d83 s ASP 313 Ca 0.80 -1.15 0.23 0.00 -0.52 0.00 0.00 52.55 51.92 3d83 s ASP 313 Cb -0.44 -0.66 1.06 0.00 -1.46 0.00 0.00 42.92 41.43 3d83 s ASP 313 CO 0.36 -0.36 1.71 -0.81 0.52 0.00 0.00 175.17 176.59 3d83 n PRO 314 N 5.01 0.19 -0.08 4.34 -0.04 -1.26 -1.14 135.00 142.01 3d83 n PRO 314 Ca -0.06 0.50 0.11 0.00 -0.04 0.00 0.00 63.50 64.01 3d83 n PRO 314 Cb 0.45 -1.92 0.34 0.00 -0.04 0.00 0.00 33.50 32.33 3d83 n PRO 314 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3d83 n ASP 315 N -2.28 2.13 -2.70 3.54 8.00 -1.26 -4.26 116.55 119.72 3d83 n ASP 315 Ca 0.01 -1.76 -0.07 0.00 0.71 0.00 0.00 54.79 53.68 3d83 n ASP 315 Cb 0.17 -0.11 0.04 0.00 -0.02 0.00 0.00 41.12 41.20 3d83 n ASP 315 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3d83 n ASP 316 N 0.64 1.67 -3.30 -2.24 2.03 -0.29 -4.91 116.55 110.15 3d83 n ASP 316 Ca 0.17 -2.54 -0.25 0.00 0.52 0.00 0.00 54.79 52.69 3d83 n ASP 316 Cb 0.41 -0.51 -0.08 0.00 -0.72 0.00 0.00 41.12 40.23 3d83 n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3d83 n GLU 317 N -0.27 1.50 -1.65 -0.67 1.02 -1.22 -4.87 120.64 114.48 3d83 n GLU 317 Ca 0.10 -3.86 -0.33 0.00 -0.02 0.00 0.00 57.16 53.05 3d83 n GLU 317 Cb 0.81 -1.69 0.06 0.00 -0.02 0.00 0.00 31.44 30.61 3d83 n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3d83 s PRO 318 N -1.72 2.62 0.49 3.49 0.04 -1.26 -4.99 135.00 133.67 3d83 s PRO 318 Ca 0.37 1.45 0.09 0.00 0.04 0.00 0.00 61.00 62.95 3d83 s PRO 318 Cb 0.16 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.82 3d83 s PRO 318 CO -0.07 -1.40 0.67 0.14 0.04 0.00 0.00 177.00 176.37 3d83 s VAL 319 N -2.31 2.57 0.29 -0.36 -7.23 -1.26 -4.29 120.40 107.81 3d83 s VAL 319 Ca 0.68 -1.02 -0.07 0.00 -1.81 0.00 0.00 61.98 59.77 3d83 s VAL 319 Cb -0.22 -2.58 -0.06 0.00 0.56 0.00 0.00 36.38 34.08 3d83 s VAL 319 CO 0.43 0.00 0.58 0.00 -0.31 0.00 0.00 175.10 175.80 3d83 s ALA 320 N -2.51 3.58 0.74 1.32 0.00 -1.26 -5.02 121.76 118.60 3d83 s ALA 320 Ca 0.58 -0.46 -0.14 0.00 0.00 0.00 0.00 51.96 51.94 3d83 s ALA 320 Cb -0.08 -2.38 0.04 0.00 0.00 0.00 0.00 23.12 20.71 3d83 s ALA 320 CO 0.35 0.26 1.18 -0.51 0.00 0.00 0.00 175.76 177.04 3d83 s ASP 321 N -3.00 4.27 0.18 0.00 1.01 -1.26 -4.85 116.67 113.02 3d83 s ASP 321 Ca 0.46 2.24 -0.33 0.00 0.71 0.00 0.00 52.55 55.63 3d83 s ASP 321 Cb -0.11 -2.58 -0.15 0.00 1.01 0.00 0.00 42.92 41.10 3d83 s ASP 321 CO 0.28 -2.21 1.28 -2.65 0.21 0.00 0.00 175.17 172.08 3d83 n PRO 322 N -2.84 1.44 -4.00 8.23 -0.02 -1.26 -4.84 135.00 131.71 3d83 n PRO 322 Ca 0.12 0.52 -0.33 0.00 -2.02 0.00 0.00 63.50 61.79 3d83 n PRO 322 Cb 0.51 -2.09 -0.14 0.00 -0.02 0.00 0.00 33.50 31.75 3d83 n PRO 322 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3d83 s TYR 323 N 0.01 3.27 -0.50 6.00 5.04 -1.26 -5.08 117.35 124.83 3d83 s TYR 323 Ca 0.74 -2.13 -0.29 0.00 -2.44 0.00 0.00 57.07 52.95 3d83 s TYR 323 Cb -0.80 -2.01 0.03 0.00 0.35 0.00 0.00 41.96 39.52 3d83 s TYR 323 CO 0.50 -0.85 1.19 0.34 -1.34 0.00 0.00 175.55 175.40 3d83 s ASP 324 N 1.17 6.53 -0.37 4.32 -1.08 -1.26 -4.88 116.67 121.10 3d83 s ASP 324 Ca -0.07 0.41 0.06 0.00 -0.52 0.00 0.00 52.55 52.43 3d83 s ASP 324 Cb -0.20 -2.55 0.47 0.00 -1.46 0.00 0.00 42.92 39.18 3d83 s ASP 324 CO -0.03 -1.35 1.43 0.00 0.52 0.00 0.00 175.17 175.74 3d83 n GLN 325 N 8.05 2.92 0.30 4.34 10.64 -1.26 -4.70 117.38 137.68 3d83 n GLN 325 Ca 0.12 -3.73 0.16 0.00 -1.83 0.00 0.00 57.00 51.72 3d83 n GLN 325 Cb 0.49 -2.14 0.94 0.00 -0.86 0.00 0.00 30.24 28.67 3d83 n GLN 325 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3d83 h SER 326 N 1.82 0.00 -0.19 2.61 4.64 -2.03 -2.49 113.55 117.91 3d83 h SER 326 Ca 0.37 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.74 3d83 h SER 326 Cb 1.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.47 3d83 h SER 326 CO 0.81 0.01 0.14 2.19 -0.87 0.00 0.00 176.83 179.11 3d83 h PHE 327 N 0.00 0.00 -0.48 4.77 -0.00 -1.96 -2.28 116.94 116.99 3d83 h PHE 327 Ca -0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.97 58.07 3d83 h PHE 327 Cb 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 35.94 3d83 h PHE 327 CO 0.00 0.00 0.33 0.93 -0.00 0.00 0.00 178.31 179.57 3d83 h GLU 328 N 0.00 0.21 -0.00 6.09 4.39 -1.84 0.12 114.58 123.55 3d83 h GLU 328 Ca 0.09 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3d83 h GLU 328 Cb 0.37 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 3d83 h GLU 328 CO -0.00 0.14 -0.22 0.43 -1.16 0.00 0.00 179.01 178.20 3d83 n SER 329 N -4.45 0.27 -4.75 1.42 7.64 -0.86 -4.92 113.62 107.96 3d83 n SER 329 Ca 0.08 0.05 -0.38 0.00 1.01 0.00 0.00 58.87 59.63 3d83 n SER 329 Cb 0.40 -0.14 -0.06 0.00 -1.01 0.00 0.00 64.21 63.40 3d83 n SER 329 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3d83 s ARG 330 N -2.93 4.29 -0.25 1.43 3.52 0.03 -5.06 118.95 119.97 3d83 s ARG 330 Ca 0.15 0.58 -0.13 0.00 -0.13 0.00 0.00 55.73 56.20 3d83 s ARG 330 Cb 0.19 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 3d83 s ARG 330 CO 0.59 0.29 0.26 -0.51 -0.81 0.00 0.00 175.30 175.13 3d83 s ASP 331 N 0.13 6.17 0.13 -2.12 1.01 -1.26 -5.04 116.67 115.70 3d83 s ASP 331 Ca 0.28 0.18 0.03 0.00 0.71 0.00 0.00 52.55 53.76 3d83 s ASP 331 Cb -0.17 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 3d83 s ASP 331 CO 0.14 -0.06 -0.07 -0.76 0.21 0.00 0.00 175.17 174.63 3d83 s LEU 332 N 1.58 2.45 0.79 1.23 1.43 -1.26 -5.17 118.68 119.73 3d83 s LEU 332 Ca 0.11 -1.04 -0.12 0.00 -1.03 0.00 0.00 54.13 52.05 3d83 s LEU 332 Cb -0.15 -0.18 0.07 0.00 0.03 0.00 0.00 46.19 45.96 3d83 s LEU 332 CO 0.08 -0.43 1.16 -0.76 0.23 0.00 0.00 176.35 176.63 3d83 s LEU 333 N -3.12 2.57 0.10 1.79 1.43 -1.26 -4.88 118.68 115.31 3d83 s LEU 333 Ca 0.16 0.80 -0.22 0.00 -1.03 0.00 0.00 54.13 53.84 3d83 s LEU 333 Cb 0.04 -3.34 -0.10 0.00 0.03 0.00 0.00 46.19 42.82 3d83 s LEU 333 CO -0.01 -1.82 1.73 0.40 0.23 0.00 0.00 176.35 176.88 3d83 h ILE 334 N -0.98 0.94 0.00 -0.59 2.04 -1.94 -2.26 117.51 114.72 3d83 h ILE 334 Ca -0.46 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 3d83 h ILE 334 Cb 1.32 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 38.31 3d83 h ILE 334 CO 0.65 0.00 -0.15 0.44 0.00 0.00 0.00 178.15 179.09 3d83 h ASP 335 N 0.02 0.00 -0.18 1.72 3.32 -1.95 0.16 116.42 119.51 3d83 h ASP 335 Ca 0.04 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 3d83 h ASP 335 Cb 0.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3d83 h ASP 335 CO -0.07 0.15 -0.14 -0.33 -1.72 0.00 0.00 179.24 177.14 3d83 h GLU 336 N 0.00 0.42 -0.51 3.56 5.08 -1.87 -0.92 114.58 120.34 3d83 h GLU 336 Ca -0.00 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 3d83 h GLU 336 Cb 0.33 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3d83 h GLU 336 CO 0.02 0.75 0.06 -1.49 -1.00 0.00 0.00 179.01 177.35 3d83 h TRP 337 N 0.09 0.86 -0.44 4.33 4.06 -0.91 -2.23 115.95 121.71 3d83 h TRP 337 Ca 0.03 -0.10 -0.05 0.00 2.06 0.00 0.00 58.89 60.83 3d83 h TRP 337 Cb 0.65 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.55 3d83 h TRP 337 CO 0.07 0.76 0.08 -0.22 -3.56 0.00 0.00 178.44 175.57 3d83 h LYS 338 N 0.77 0.72 -0.55 0.49 3.64 -0.96 -1.72 116.57 118.97 3d83 h LYS 338 Ca 0.16 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 3d83 h LYS 338 Cb 0.39 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3d83 h LYS 338 CO 0.01 0.75 0.17 1.03 -2.27 0.00 0.00 179.45 179.13 3d83 h SER 339 N 0.59 0.81 -0.81 4.20 0.87 -1.02 -1.41 113.55 116.78 3d83 h SER 339 Ca 0.13 -0.21 0.05 0.00 -1.23 0.00 0.00 61.79 60.53 3d83 h SER 339 Cb 0.37 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 62.06 3d83 h SER 339 CO 0.01 0.81 0.50 -0.07 -0.53 0.00 0.00 176.83 177.55 3d83 h LEU 340 N 0.78 0.80 -0.46 2.23 3.38 -1.35 -1.81 115.31 118.87 3d83 h LEU 340 Ca 0.18 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 3d83 h LEU 340 Cb 0.29 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3d83 h LEU 340 CO -0.00 0.53 0.14 0.74 0.09 0.00 0.00 178.44 179.93 3d83 h THR 341 N 0.94 1.23 -0.47 0.22 2.02 -1.01 -2.58 112.91 113.25 3d83 h THR 341 Ca 0.34 -0.76 0.05 0.00 0.77 0.00 0.00 66.41 66.82 3d83 h THR 341 Cb 0.11 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 67.33 3d83 h THR 341 CO -0.15 0.27 0.20 0.22 0.37 0.00 0.00 175.52 176.43 3d83 h TYR 342 N 0.61 0.35 -0.96 3.16 3.20 -1.02 -0.63 116.97 121.68 3d83 h TYR 342 Ca 0.15 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.12 3d83 h TYR 342 Cb 0.28 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.39 3d83 h TYR 342 CO 0.01 0.14 0.62 -0.44 -1.64 0.00 0.00 178.16 176.86 3d83 h ASP 343 N 0.39 0.93 0.33 -2.11 3.32 -1.17 -0.98 116.42 117.14 3d83 h ASP 343 Ca 0.22 0.02 -0.20 0.00 0.02 0.00 0.00 57.03 57.09 3d83 h ASP 343 Cb 0.19 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3d83 h ASP 343 CO -0.20 0.57 -0.83 -0.33 -1.72 0.00 0.00 179.24 176.73 3d83 h GLU 344 N 1.04 0.38 0.31 3.56 4.39 -0.98 -2.06 114.58 121.21 3d83 h GLU 344 Ca 0.43 -0.36 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 3d83 h GLU 344 Cb 0.30 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3d83 h GLU 344 CO -0.19 1.02 -0.18 0.28 -1.16 0.00 0.00 179.01 178.78 3d83 h VAL 345 N 0.23 0.62 -0.51 3.13 2.07 -0.59 -3.02 116.25 118.18 3d83 h VAL 345 Ca -0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.49 3d83 h VAL 345 Cb 1.43 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 3d83 h VAL 345 CO 0.14 0.00 0.34 0.40 0.02 0.00 0.00 177.57 178.47 3d83 h ILE 346 N -0.47 1.08 -0.01 4.57 1.08 -1.19 -2.82 117.51 119.74 3d83 h ILE 346 Ca -0.03 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 3d83 h ILE 346 Cb 0.39 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 34.55 3d83 h ILE 346 CO 0.04 0.11 -0.15 -1.54 -0.69 0.00 0.00 178.15 175.92 3d83 n SER 347 N -4.47 1.35 -4.77 1.72 3.41 -0.78 -4.96 113.62 105.12 3d83 n SER 347 Ca 0.06 -1.22 -0.41 0.00 -0.26 0.00 0.00 58.87 57.03 3d83 n SER 347 Cb 0.12 0.09 -0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3d83 n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3d83 s PHE 348 N -2.27 2.64 -0.11 7.33 5.36 -1.07 -5.02 117.98 124.84 3d83 s PHE 348 Ca 0.30 1.12 0.02 0.00 -0.96 0.00 0.00 56.93 57.40 3d83 s PHE 348 Cb 0.20 -4.01 0.02 0.00 -0.34 0.00 0.00 43.02 38.88 3d83 s PHE 348 CO 0.43 -3.03 -0.15 0.08 -1.46 0.00 0.00 175.22 171.09 3d83 s VAL 349 N -0.93 1.49 0.73 3.12 1.01 -1.26 -5.08 120.40 119.48 3d83 s VAL 349 Ca 0.54 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 3d83 s VAL 349 Cb -0.46 -1.36 0.04 0.00 0.00 0.00 0.00 36.38 34.59 3d83 s VAL 349 CO 0.60 0.44 1.21 -2.16 0.00 0.00 0.00 175.10 175.19 3d83 s PRO 350 N 1.02 2.15 0.78 2.72 0.04 -1.26 -4.99 135.00 135.46 3d83 s PRO 350 Ca -0.06 1.77 -0.13 0.00 0.04 0.00 0.00 61.00 62.62 3d83 s PRO 350 Cb -0.15 -1.83 0.07 0.00 0.04 0.00 0.00 34.50 32.63 3d83 s PRO 350 CO -0.02 -1.83 1.18 -1.25 0.04 0.00 0.00 177.00 175.13 3d83 s PRO 351 N -3.90 1.84 0.00 0.56 0.04 -1.26 -5.16 135.00 127.13 3d83 s PRO 351 Ca 0.75 1.66 0.28 0.00 0.04 0.00 0.00 61.00 63.73 3d83 s PRO 351 Cb -0.29 -1.81 1.02 0.00 0.04 0.00 0.00 34.50 33.46 3d83 s PRO 351 CO 0.45 -2.04 1.73 -0.35 0.04 0.00 0.00 177.00 176.83