#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3km4 n ASN 5 N 0.00 0.23 -4.67 1.61 5.15 -0.53 -4.03 115.26 113.02 3km4 n ASN 5 Ca 0.00 -1.91 -0.41 0.00 -0.60 0.00 0.00 54.58 51.65 3km4 n ASN 5 Cb 0.00 -0.19 -0.04 0.00 -0.53 0.00 0.00 39.78 39.02 3km4 n ASN 5 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3km4 s THR 6 N 0.00 4.91 0.18 -0.44 2.01 0.14 -4.61 115.64 117.81 3km4 s THR 6 Ca 0.09 1.56 0.04 0.00 0.31 0.00 0.00 61.69 63.69 3km4 s THR 6 Cb 0.10 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 3km4 s THR 6 CO -0.04 0.04 0.27 0.42 -0.69 0.00 0.00 174.62 174.62 3km4 s THR 7 N 2.08 5.12 -0.22 -0.82 -4.23 -1.26 -1.57 115.64 114.74 3km4 s THR 7 Ca 0.37 -0.85 -0.16 0.00 -1.18 0.00 0.00 61.69 59.86 3km4 s THR 7 Cb -0.16 -3.67 0.06 0.00 1.34 0.00 0.00 72.50 70.07 3km4 s THR 7 CO 0.12 -0.16 0.56 -0.55 -0.54 0.00 0.00 174.62 174.06 3km4 s SER 8 N -3.39 -0.67 0.11 3.99 0.15 -0.06 -4.98 113.70 108.85 3km4 s SER 8 Ca 0.34 1.18 0.10 0.00 0.70 0.00 0.00 55.95 58.26 3km4 s SER 8 Cb -0.10 1.12 -0.04 0.00 -1.71 0.00 0.00 66.02 65.29 3km4 s SER 8 CO 0.28 -0.21 -0.24 -0.94 1.20 0.00 0.00 173.24 173.32 3km4 s SER 9 N 0.94 2.97 -0.08 5.45 1.04 -1.26 0.11 113.70 122.86 3km4 s SER 9 Ca -0.05 -0.70 -0.01 0.00 0.48 0.00 0.00 55.95 55.67 3km4 s SER 9 Cb -0.05 -0.19 0.03 0.00 0.10 0.00 0.00 66.02 65.90 3km4 s SER 9 CO -0.08 0.14 -0.03 -0.69 0.98 0.00 0.00 173.24 173.55 3km4 s VAL 10 N -1.07 0.63 0.12 5.02 1.01 0.05 -4.54 120.40 121.62 3km4 s VAL 10 Ca 0.11 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 3km4 s VAL 10 Cb -0.10 -0.72 -0.06 0.00 0.00 0.00 0.00 36.38 35.49 3km4 s VAL 10 CO 0.05 0.30 1.10 -0.63 0.00 0.00 0.00 175.10 175.92 3km4 s ILE 11 N 1.78 4.07 -0.01 2.22 1.01 -1.26 -1.70 121.20 127.31 3km4 s ILE 11 Ca 0.04 1.65 0.01 0.00 0.00 0.00 0.00 60.65 62.34 3km4 s ILE 11 Cb -0.13 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 3km4 s ILE 11 CO -0.06 0.22 0.01 -0.76 0.00 0.00 0.00 174.94 174.36 3km4 s LEU 12 N 0.20 3.58 0.08 2.97 1.43 0.04 -4.37 118.68 122.62 3km4 s LEU 12 Ca 0.52 0.03 -0.18 0.00 -1.03 0.00 0.00 54.13 53.48 3km4 s LEU 12 Cb -0.28 -2.03 -0.07 0.00 0.03 0.00 0.00 46.19 43.85 3km4 s LEU 12 CO 0.32 0.29 0.55 -0.89 0.23 0.00 0.00 176.35 176.85 3km4 s THR 13 N -1.08 4.79 -0.30 5.49 2.01 0.63 -2.60 115.64 124.58 3km4 s THR 13 Ca 0.19 1.10 -0.08 0.00 0.31 0.00 0.00 61.69 63.20 3km4 s THR 13 Cb -0.12 -3.84 -0.00 0.00 0.01 0.00 0.00 72.50 68.55 3km4 s THR 13 CO 0.10 0.49 0.12 0.21 -0.69 0.00 0.00 174.62 174.85 3km4 s ASN 14 N -1.24 5.37 -0.44 3.53 3.84 -1.26 -1.82 114.94 122.92 3km4 s ASN 14 Ca 0.30 -0.57 -0.17 0.00 0.21 0.00 0.00 52.86 52.64 3km4 s ASN 14 Cb -0.18 -1.95 0.04 0.00 -0.55 0.00 0.00 41.25 38.60 3km4 s ASN 14 CO 0.18 -0.18 0.44 -0.47 -2.79 0.00 0.00 177.10 174.29 3km4 s TYR 15 N 1.57 3.17 -1.14 0.43 5.04 0.22 -4.67 117.35 121.99 3km4 s TYR 15 Ca 0.04 -0.53 -0.04 0.00 -2.44 0.00 0.00 57.07 54.11 3km4 s TYR 15 Cb -0.17 -3.01 0.03 0.00 0.35 0.00 0.00 41.96 39.16 3km4 s TYR 15 CO 0.05 -0.76 0.21 -1.33 -1.34 0.00 0.00 175.55 172.38 3km4 n MET 16 N 5.57 -2.83 -1.32 4.97 2.81 -1.26 -1.49 117.12 123.57 3km4 n MET 16 Ca -0.09 0.56 -0.11 0.00 -1.81 0.00 0.00 57.70 56.25 3km4 n MET 16 Cb 0.46 -5.21 -0.05 0.00 -0.71 0.00 0.00 33.22 27.72 3km4 n MET 16 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3km4 n ASP 17 N -2.01 -5.63 0.00 7.83 8.00 -1.26 -4.76 116.55 118.72 3km4 n ASP 17 Ca -0.09 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.68 3km4 n ASP 17 Cb 0.58 -4.18 0.00 0.00 -0.02 0.00 0.00 41.12 37.51 3km4 n ASP 17 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3km4 n THR 18 N -2.18 0.00 -4.59 -3.53 -2.24 -0.55 -4.89 114.28 96.30 3km4 n THR 18 Ca -0.11 -0.07 -0.25 0.00 -2.27 0.00 0.00 64.05 61.35 3km4 n THR 18 Cb 0.59 0.55 -0.17 0.00 -2.10 0.00 0.00 70.33 69.20 3km4 n THR 18 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3km4 s GLN 19 N -1.71 1.69 -0.20 -0.78 -0.21 -0.67 -4.60 119.66 113.18 3km4 s GLN 19 Ca 0.00 -0.41 0.01 0.00 0.02 0.00 0.00 55.36 54.98 3km4 s GLN 19 Cb 0.00 -1.40 0.04 0.00 1.00 0.00 0.00 33.01 32.65 3km4 s GLN 19 CO 0.00 0.03 -0.14 0.71 -2.12 0.00 0.00 175.29 173.78 3km4 s TYR 20 N 0.64 2.64 0.04 0.91 2.02 -1.26 0.72 117.35 123.07 3km4 s TYR 20 Ca -0.14 -1.69 -0.00 0.00 -0.37 0.00 0.00 57.07 54.86 3km4 s TYR 20 Cb -0.16 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.61 3km4 s TYR 20 CO 0.04 -0.78 -0.03 1.52 -1.57 0.00 0.00 175.55 174.73 3km4 s TYR 21 N 1.32 0.43 0.45 2.71 -0.85 -0.76 -4.41 117.35 116.25 3km4 s TYR 21 Ca -0.00 -0.82 0.03 0.00 -0.52 0.00 0.00 57.07 55.76 3km4 s TYR 21 Cb -0.16 -0.31 -0.01 0.00 0.38 0.00 0.00 41.96 41.86 3km4 s TYR 21 CO -0.09 -0.28 0.11 0.20 -1.52 0.00 0.00 175.55 173.97 3km4 s GLY 22 N -2.27 2.80 -0.04 5.49 0.00 -0.19 -0.27 107.32 112.84 3km4 s GLY 22 Ca -0.03 -0.91 -0.00 0.00 0.00 0.00 0.00 44.72 43.78 3km4 s GLY 22 CO -0.06 -1.92 0.01 1.85 0.00 0.00 0.00 173.10 172.98 3km4 s GLU 23 N -3.72 2.90 0.16 2.90 2.12 -1.26 -0.25 118.70 121.55 3km4 s GLU 23 Ca 0.17 -0.51 0.06 0.00 0.36 0.00 0.00 54.97 55.06 3km4 s GLU 23 Cb 0.01 -2.74 -0.04 0.00 0.26 0.00 0.00 34.13 31.62 3km4 s GLU 23 CO 0.12 0.66 -0.13 0.96 -0.54 0.00 0.00 175.26 176.33 3km4 s ILE 24 N -1.01 1.44 -0.03 -3.70 -4.36 -0.24 -4.68 121.20 108.62 3km4 s ILE 24 Ca 0.17 -1.98 0.07 0.00 -0.26 0.00 0.00 60.65 58.65 3km4 s ILE 24 Cb -0.11 -1.80 -0.01 0.00 1.25 0.00 0.00 42.46 41.78 3km4 s ILE 24 CO 0.07 -0.56 -0.24 -0.83 0.24 0.00 0.00 174.94 173.62 3km4 s GLY 25 N -2.93 1.22 -0.06 6.27 0.00 -0.81 -0.71 107.32 110.29 3km4 s GLY 25 Ca 0.16 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 43.87 3km4 s GLY 25 CO 0.04 -0.76 -0.11 -0.42 0.00 0.00 0.00 173.10 171.85 3km4 s ILE 26 N -0.39 1.01 0.00 0.90 1.01 -0.29 -0.22 121.20 123.22 3km4 s ILE 26 Ca 0.04 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.27 3km4 s ILE 26 Cb -0.11 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.42 3km4 s ILE 26 CO 0.01 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.88 3km4 n GLY 27 N 3.77 0.37 2.82 6.18 0.00 -0.30 0.17 105.19 118.21 3km4 n GLY 27 Ca -0.23 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.44 3km4 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3km4 s THR 28 N -1.13 1.06 0.82 2.61 2.01 -1.26 -2.73 115.64 117.02 3km4 s THR 28 Ca 0.00 -1.08 -0.12 0.00 0.31 0.00 0.00 61.69 60.80 3km4 s THR 28 Cb 0.00 -1.54 0.08 0.00 0.01 0.00 0.00 72.50 71.06 3km4 s THR 28 CO 0.00 -0.29 1.13 -2.16 -0.69 0.00 0.00 174.62 172.60 3km4 s PRO 29 N 1.59 1.91 0.12 4.92 0.04 -1.26 -1.57 135.00 140.74 3km4 s PRO 29 Ca 0.00 0.39 -0.30 0.00 0.04 0.00 0.00 61.00 61.13 3km4 s PRO 29 Cb -0.18 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 3km4 s PRO 29 CO -0.11 -1.69 1.08 -1.25 0.04 0.00 0.00 177.00 175.07 3km4 s PRO 30 N -5.32 4.58 -0.20 0.56 0.04 -1.10 -4.88 135.00 128.67 3km4 s PRO 30 Ca 0.61 1.64 -0.15 0.00 0.04 0.00 0.00 61.00 63.14 3km4 s PRO 30 Cb -0.13 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 3km4 s PRO 30 CO 0.52 0.02 0.37 -0.65 0.04 0.00 0.00 177.00 177.31 3km4 s GLN 31 N 0.16 4.17 0.11 4.56 -0.21 0.13 -4.78 119.66 123.79 3km4 s GLN 31 Ca 0.51 0.15 -0.16 0.00 0.02 0.00 0.00 55.36 55.89 3km4 s GLN 31 Cb -0.27 -3.53 -0.07 0.00 1.00 0.00 0.00 33.01 30.14 3km4 s GLN 31 CO 0.32 -0.02 0.53 0.95 -2.12 0.00 0.00 175.29 174.95 3km4 s THR 32 N 1.26 4.85 0.00 -0.19 -4.23 -1.26 -1.14 115.64 114.93 3km4 s THR 32 Ca 0.18 0.93 0.01 0.00 -1.18 0.00 0.00 61.69 61.62 3km4 s THR 32 Cb -0.15 -3.78 -0.00 0.00 1.34 0.00 0.00 72.50 69.91 3km4 s THR 32 CO 0.07 0.37 -0.02 -0.36 -0.54 0.00 0.00 174.62 174.15 3km4 s PHE 33 N -1.32 0.20 -0.13 3.99 0.08 0.11 -4.97 117.98 115.95 3km4 s PHE 33 Ca 0.33 -0.10 -0.23 0.00 0.12 0.00 0.00 56.93 57.06 3km4 s PHE 33 Cb -0.16 -0.13 -0.03 0.00 -0.57 0.00 0.00 43.02 42.12 3km4 s PHE 33 CO 0.18 -0.02 0.69 0.15 -0.10 0.00 0.00 175.22 176.12 3km4 s LYS 34 N -0.24 4.33 0.01 0.44 1.02 -1.26 -1.08 119.74 122.97 3km4 s LYS 34 Ca -0.01 0.80 0.01 0.00 0.02 0.00 0.00 55.97 56.79 3km4 s LYS 34 Cb -0.02 -3.51 -0.01 0.00 -0.52 0.00 0.00 37.83 33.77 3km4 s LYS 34 CO -0.00 -0.11 -0.05 0.14 -0.92 0.00 0.00 175.35 174.41 3km4 s VAL 35 N 1.42 0.38 0.12 3.17 -7.23 0.66 -0.20 120.40 118.71 3km4 s VAL 35 Ca 0.34 -0.43 -0.29 0.00 -1.81 0.00 0.00 61.98 59.80 3km4 s VAL 35 Cb -0.17 -0.36 -0.06 0.00 0.56 0.00 0.00 36.38 36.35 3km4 s VAL 35 CO 0.14 -0.04 0.92 -0.69 -0.31 0.00 0.00 175.10 175.12 3km4 s VAL 36 N -0.46 4.48 -0.41 1.32 1.01 -1.07 -1.02 120.40 124.25 3km4 s VAL 36 Ca -0.02 1.98 -0.11 0.00 0.00 0.00 0.00 61.98 63.83 3km4 s VAL 36 Cb -0.04 -4.28 0.06 0.00 0.00 0.00 0.00 36.38 32.12 3km4 s VAL 36 CO -0.00 0.36 0.26 -0.36 0.00 0.00 0.00 175.10 175.36 3km4 s PHE 37 N -0.20 3.28 -0.40 5.22 0.08 -1.26 -1.04 117.98 123.67 3km4 s PHE 37 Ca 0.44 -1.18 -0.03 0.00 0.12 0.00 0.00 56.93 56.29 3km4 s PHE 37 Cb -0.23 -2.78 0.10 0.00 -0.57 0.00 0.00 43.02 39.54 3km4 s PHE 37 CO 0.29 -0.76 0.18 0.34 -0.10 0.00 0.00 175.22 175.18 3km4 s ASP 38 N 1.97 5.22 0.00 1.36 2.15 -0.28 -4.37 116.67 122.73 3km4 s ASP 38 Ca 0.03 -1.96 0.16 0.00 0.43 0.00 0.00 52.55 51.21 3km4 s ASP 38 Cb -0.22 -1.82 0.78 0.00 -0.30 0.00 0.00 42.92 41.36 3km4 s ASP 38 CO 0.05 -0.52 1.50 0.35 -0.17 0.00 0.00 175.17 176.38 3km4 n THR 39 N 4.59 0.67 1.57 1.71 -2.24 -1.26 -0.60 114.28 118.72 3km4 n THR 39 Ca -0.03 0.17 0.15 0.00 -2.27 0.00 0.00 64.05 62.07 3km4 n THR 39 Cb 0.42 -0.89 0.77 0.00 -2.10 0.00 0.00 70.33 68.52 3km4 n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3km4 n GLY 40 N 0.14 -1.10 3.40 3.38 0.00 -1.26 -4.05 105.19 105.69 3km4 n GLY 40 Ca 0.06 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 3km4 n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3km4 s SER 41 N -2.39 -0.01 0.00 1.61 1.04 -0.97 -4.97 113.70 108.01 3km4 s SER 41 Ca 0.34 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.89 3km4 s SER 41 Cb 0.21 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.80 3km4 s SER 41 CO 0.44 -0.96 0.34 -1.20 0.98 0.00 0.00 173.24 172.84 3km4 n SER 42 N -0.27 0.66 -4.88 7.02 7.64 -1.26 0.21 113.62 122.75 3km4 n SER 42 Ca -0.06 -1.03 -0.32 0.00 1.01 0.00 0.00 58.87 58.48 3km4 n SER 42 Cb 0.63 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.78 3km4 n SER 42 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3km4 s ASN 43 N -0.03 6.17 -0.16 6.43 -0.87 -1.26 -4.47 114.94 120.75 3km4 s ASN 43 Ca 0.00 0.23 -0.13 0.00 -1.57 0.00 0.00 52.86 51.39 3km4 s ASN 43 Cb 0.00 -1.86 -0.05 0.00 -0.02 0.00 0.00 41.25 39.32 3km4 s ASN 43 CO 0.00 0.21 0.27 -0.69 -2.57 0.00 0.00 177.10 174.32 3km4 s VAL 44 N -1.41 5.31 0.06 1.60 1.01 -1.26 -1.41 120.40 124.30 3km4 s VAL 44 Ca 0.31 0.51 -0.06 0.00 0.00 0.00 0.00 61.98 62.73 3km4 s VAL 44 Cb -0.13 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 3km4 s VAL 44 CO 0.23 0.41 0.12 -1.66 0.00 0.00 0.00 175.10 174.20 3km4 s TRP 45 N 0.36 0.22 0.06 5.22 1.48 0.09 -0.35 118.94 126.01 3km4 s TRP 45 Ca 0.16 -0.60 0.01 0.00 -1.06 0.00 0.00 56.10 54.60 3km4 s TRP 45 Cb -0.13 -0.14 -0.03 0.00 -1.16 0.00 0.00 33.47 32.01 3km4 s TRP 45 CO 0.03 -0.44 -0.05 0.14 -4.06 0.00 0.00 176.95 172.57 3km4 s VAL 46 N -3.31 0.41 0.60 -0.66 -7.23 -0.49 -1.53 120.40 108.18 3km4 s VAL 46 Ca 0.01 -1.54 -0.18 0.00 -1.81 0.00 0.00 61.98 58.45 3km4 s VAL 46 Cb 0.03 -1.17 -0.03 0.00 0.56 0.00 0.00 36.38 35.77 3km4 s VAL 46 CO -0.08 -0.75 1.18 -2.84 -0.31 0.00 0.00 175.10 172.30 3km4 s PRO 47 N -3.00 2.97 0.09 4.82 0.02 -1.26 -0.87 135.00 137.78 3km4 s PRO 47 Ca 0.01 1.71 0.02 0.00 0.02 0.00 0.00 61.00 62.76 3km4 s PRO 47 Cb 0.00 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 3km4 s PRO 47 CO -0.05 -1.18 0.18 0.45 -0.33 0.00 0.00 177.00 176.08 3km4 s SER 48 N -1.80 6.05 0.09 2.53 0.15 -0.36 -0.42 113.70 119.96 3km4 s SER 48 Ca 0.75 0.14 0.13 0.00 0.70 0.00 0.00 55.95 57.67 3km4 s SER 48 Cb -0.27 -1.77 0.60 0.00 -1.71 0.00 0.00 66.02 62.86 3km4 s SER 48 CO 0.34 0.14 1.42 -1.54 1.20 0.00 0.00 173.24 174.79 3km4 n SER 49 N 0.12 0.21 -0.14 5.45 3.41 0.03 -1.79 113.62 120.91 3km4 n SER 49 Ca -0.07 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.24 3km4 n SER 49 Cb 0.52 -0.61 0.45 0.00 -0.26 0.00 0.00 64.21 64.32 3km4 n SER 49 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3km4 n LYS 50 N -1.75 0.59 -2.14 4.33 4.01 -1.26 -4.85 118.16 117.09 3km4 n LYS 50 Ca 0.02 -0.28 -0.42 0.00 -0.51 0.00 0.00 58.31 57.11 3km4 n LYS 50 Cb 0.12 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.12 3km4 n LYS 50 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3km4 s SER 52 N 1.97 6.79 0.00 0.00 0.15 -1.26 -4.90 113.70 116.46 3km4 s SER 52 Ca 0.67 2.46 0.10 0.00 0.70 0.00 0.00 55.95 59.88 3km4 s SER 52 Cb -0.34 -2.63 0.54 0.00 -1.71 0.00 0.00 66.02 61.88 3km4 s SER 52 CO 0.28 -0.50 1.18 0.54 1.20 0.00 0.00 173.24 175.95 3km4 n ARG 53 N 0.61 0.18 0.06 5.44 1.74 -1.26 -0.65 116.66 122.79 3km4 n ARG 53 Ca 0.01 0.15 0.16 0.00 -0.77 0.00 0.00 57.85 57.41 3km4 n ARG 53 Cb 0.44 -1.50 0.66 0.00 -1.02 0.00 0.00 32.46 31.04 3km4 n ARG 53 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3km4 h LEU 54 N 0.00 0.03 -8.74 0.55 4.07 -2.00 -3.36 115.31 105.86 3km4 h LEU 54 Ca 0.00 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 57.35 3km4 h LEU 54 Cb 0.08 -0.01 -0.11 0.00 1.08 0.00 0.00 40.66 41.70 3km4 h LEU 54 CO 0.00 0.02 0.43 -0.31 -1.08 0.00 0.00 178.44 177.50 3km4 s TYR 55 N -5.06 3.05 0.39 1.13 2.02 0.18 -4.91 117.35 114.15 3km4 s TYR 55 Ca -0.05 0.45 0.07 0.00 -0.37 0.00 0.00 57.07 57.17 3km4 s TYR 55 Cb 0.19 -3.59 0.83 0.00 -0.40 0.00 0.00 41.96 38.99 3km4 s TYR 55 CO 0.72 -0.87 2.02 1.15 -1.57 0.00 0.00 175.55 176.99 3km4 h THR 56 N 5.87 1.06 -0.51 -0.71 2.02 -1.85 0.11 112.91 118.91 3km4 h THR 56 Ca -0.24 -0.21 0.14 0.00 0.77 0.00 0.00 66.41 66.86 3km4 h THR 56 Cb 1.09 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 3km4 h THR 56 CO 0.95 0.11 0.36 0.00 0.37 0.00 0.00 175.52 177.32 3km4 h ALA 57 N 1.68 2.44 0.00 6.16 0.00 -1.90 0.31 119.26 127.95 3km4 h ALA 57 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3km4 h ALA 57 Cb 0.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3km4 h ALA 57 CO -0.06 -0.58 -0.13 0.00 0.00 0.00 0.00 179.25 178.48 3km4 h VAL 59 N 0.00 1.32 0.07 0.00 2.07 -0.25 -3.39 116.25 116.07 3km4 h VAL 59 Ca 0.00 -2.63 -0.24 0.00 0.82 0.00 0.00 66.70 64.65 3km4 h VAL 59 Cb 0.66 3.07 -0.01 0.00 -1.52 0.00 0.00 31.29 33.49 3km4 h VAL 59 CO 0.00 0.78 -1.12 0.22 0.02 0.00 0.00 177.57 177.47 3km4 h TYR 60 N -0.03 0.32 -2.43 1.57 3.20 -1.08 -3.47 116.97 115.05 3km4 h TYR 60 Ca -0.23 -0.22 -0.46 0.00 3.14 0.00 0.00 58.73 60.96 3km4 h TYR 60 Cb 1.99 -0.02 0.01 0.00 1.54 0.00 0.00 36.73 40.26 3km4 h TYR 60 CO 0.15 1.16 -0.24 -1.01 -1.64 0.00 0.00 178.16 176.57 3km4 s HIS 61 N -2.74 3.31 0.38 -3.82 3.76 -0.85 -5.07 115.29 110.27 3km4 s HIS 61 Ca -0.02 0.11 -0.26 0.00 -0.15 0.00 0.00 55.06 54.74 3km4 s HIS 61 Cb 0.08 -1.99 -0.09 0.00 1.11 0.00 0.00 32.58 31.70 3km4 s HIS 61 CO 0.86 0.00 1.16 0.21 -0.85 0.00 0.00 174.74 176.12 3km4 s LYS 62 N -4.29 4.14 -0.03 1.40 2.20 -1.26 -4.87 119.74 117.03 3km4 s LYS 62 Ca 0.43 1.82 0.07 0.00 -0.36 0.00 0.00 55.97 57.93 3km4 s LYS 62 Cb -0.10 -2.74 -0.02 0.00 -1.51 0.00 0.00 37.83 33.47 3km4 s LYS 62 CO 0.34 -0.24 -0.24 -0.51 -0.36 0.00 0.00 175.35 174.34 3km4 s LEU 63 N -2.36 2.17 -0.13 5.43 1.43 -1.26 -4.21 118.68 119.75 3km4 s LEU 63 Ca 0.55 -0.43 -0.28 0.00 -1.03 0.00 0.00 54.13 52.94 3km4 s LEU 63 Cb -0.30 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 3km4 s LEU 63 CO 0.38 0.31 0.95 0.12 0.23 0.00 0.00 176.35 178.35 3km4 s PHE 64 N -0.54 3.48 -0.45 0.29 5.36 0.44 -4.71 117.98 121.86 3km4 s PHE 64 Ca 0.08 1.49 -0.06 0.00 -0.96 0.00 0.00 56.93 57.47 3km4 s PHE 64 Cb -0.11 -3.13 0.12 0.00 -0.34 0.00 0.00 43.02 39.56 3km4 s PHE 64 CO 0.00 -0.23 0.28 0.34 -1.46 0.00 0.00 175.22 174.15 3km4 s ASP 65 N 1.11 5.49 0.37 6.13 -1.08 -1.26 -0.79 116.67 126.63 3km4 s ASP 65 Ca 0.45 -1.99 0.08 0.00 -0.52 0.00 0.00 52.55 50.57 3km4 s ASP 65 Cb -0.18 -1.92 0.81 0.00 -1.46 0.00 0.00 42.92 40.17 3km4 s ASP 65 CO 0.16 -0.62 1.92 0.00 0.52 0.00 0.00 175.17 177.15 3km4 h ALA 66 N 8.23 1.81 0.00 3.66 0.00 -1.95 -1.55 119.26 129.46 3km4 h ALA 66 Ca -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3km4 h ALA 66 Cb 1.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3km4 h ALA 66 CO 0.78 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.92 3km4 n SER 67 N -4.51 0.17 -0.48 0.00 3.41 -1.26 -1.26 113.62 109.69 3km4 n SER 67 Ca 0.14 0.53 0.14 0.00 -0.26 0.00 0.00 58.87 59.42 3km4 n SER 67 Cb 0.36 -0.57 0.52 0.00 -0.26 0.00 0.00 64.21 64.26 3km4 n SER 67 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3km4 n ASP 68 N -1.68 1.51 -4.30 4.04 8.00 -0.58 -4.87 116.55 118.68 3km4 n ASP 68 Ca 0.05 -1.50 -0.33 0.00 0.71 0.00 0.00 54.79 53.71 3km4 n ASP 68 Cb 0.26 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.21 3km4 n ASP 68 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3km4 s SER 69 N -2.00 3.84 0.30 -2.24 0.15 -0.39 -4.35 113.70 109.00 3km4 s SER 69 Ca 0.38 -0.42 0.17 0.00 0.70 0.00 0.00 55.95 56.78 3km4 s SER 69 Cb 0.21 -1.60 0.11 0.00 -1.71 0.00 0.00 66.02 63.03 3km4 s SER 69 CO 0.34 0.09 1.42 0.77 1.20 0.00 0.00 173.24 177.06 3km4 h SER 70 N 7.24 0.00 0.40 5.45 4.64 -1.57 -2.97 113.55 126.73 3km4 h SER 70 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3km4 h SER 70 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3km4 h SER 70 CO 0.57 0.38 -0.20 -1.54 -0.87 0.00 0.00 176.83 175.18 3km4 n SER 71 N -3.16 0.60 -4.65 4.97 3.41 -1.26 -4.93 113.62 108.59 3km4 n SER 71 Ca 0.02 -0.53 -0.46 0.00 -0.26 0.00 0.00 58.87 57.63 3km4 n SER 71 Cb 0.69 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.61 3km4 n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3km4 n TYR 72 N -0.99 1.99 -4.36 7.33 9.36 -1.13 -4.63 117.16 124.74 3km4 n TYR 72 Ca 0.12 0.47 -0.30 0.00 3.32 0.00 0.00 57.90 61.51 3km4 n TYR 72 Cb 0.31 -2.43 -0.17 0.00 -0.63 0.00 0.00 39.34 36.43 3km4 n TYR 72 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 3km4 s LYS 73 N -0.23 2.37 0.42 2.98 2.20 0.28 -5.00 119.74 122.76 3km4 s LYS 73 Ca 0.71 -0.61 -0.26 0.00 -0.36 0.00 0.00 55.97 55.45 3km4 s LYS 73 Cb -0.70 -2.04 -0.09 0.00 -1.51 0.00 0.00 37.83 33.48 3km4 s LYS 73 CO 0.49 -0.11 1.47 -1.58 -0.36 0.00 0.00 175.35 175.26 3km4 s HIS 74 N 1.11 2.48 0.06 4.03 5.65 -1.26 -1.86 115.29 125.50 3km4 s HIS 74 Ca -0.03 1.20 0.00 0.00 0.25 0.00 0.00 55.06 56.48 3km4 s HIS 74 Cb -0.14 -3.99 0.00 0.00 -1.18 0.00 0.00 32.58 27.26 3km4 s HIS 74 CO -0.04 -3.05 0.00 -1.71 -0.65 0.00 0.00 174.74 169.29 3km4 n ASN 75 N 0.07 0.24 0.00 9.88 2.85 -1.23 -4.82 115.26 122.25 3km4 n ASN 75 Ca 0.03 0.09 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 3km4 n ASN 75 Cb 0.40 -0.03 0.00 0.00 1.24 0.00 0.00 39.78 41.39 3km4 n ASN 75 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3km4 n GLY 76 N 2.84 0.85 3.76 8.20 0.00 0.13 -4.98 105.19 115.98 3km4 n GLY 76 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3km4 n GLY 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3km4 n THR 77 N -2.00 1.68 -2.22 2.61 -1.04 -1.26 -4.55 114.28 107.50 3km4 n THR 77 Ca 0.00 -0.42 -0.38 0.00 -2.04 0.00 0.00 64.05 61.22 3km4 n THR 77 Cb 0.00 -1.95 -0.01 0.00 -1.82 0.00 0.00 70.33 66.55 3km4 n THR 77 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3km4 s GLU 78 N -1.57 3.80 -0.06 -2.82 2.12 -1.26 -0.55 118.70 118.36 3km4 s GLU 78 Ca 0.57 1.84 0.01 0.00 0.36 0.00 0.00 54.97 57.75 3km4 s GLU 78 Cb -0.49 -2.48 0.02 0.00 0.26 0.00 0.00 34.13 31.44 3km4 s GLU 78 CO 0.59 -0.53 -0.08 -1.17 -0.54 0.00 0.00 175.26 173.52 3km4 s LEU 79 N -2.89 1.41 -0.15 2.70 2.96 -0.27 -4.80 118.68 117.64 3km4 s LEU 79 Ca 0.62 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 54.30 3km4 s LEU 79 Cb -0.30 -0.66 0.04 0.00 0.50 0.00 0.00 46.19 45.76 3km4 s LEU 79 CO 0.37 -0.03 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.43 3km4 s THR 80 N 0.96 1.00 -0.37 3.68 2.01 -1.26 -0.77 115.64 120.88 3km4 s THR 80 Ca -0.10 -0.49 -0.06 0.00 0.31 0.00 0.00 61.69 61.36 3km4 s THR 80 Cb -0.15 -1.16 0.07 0.00 0.01 0.00 0.00 72.50 71.27 3km4 s THR 80 CO 0.00 0.18 0.14 -0.76 -0.69 0.00 0.00 174.62 173.49 3km4 s LEU 81 N 1.69 4.65 -0.99 4.42 1.43 0.28 -5.00 118.68 125.16 3km4 s LEU 81 Ca 0.02 -1.44 -0.01 0.00 -1.03 0.00 0.00 54.13 51.66 3km4 s LEU 81 Cb -0.14 -1.86 0.31 0.00 0.03 0.00 0.00 46.19 44.53 3km4 s LEU 81 CO -0.08 -0.41 1.57 0.54 0.23 0.00 0.00 176.35 178.20 3km4 n ARG 82 N 4.76 4.74 -1.16 1.70 1.74 -1.26 -1.30 116.66 125.88 3km4 n ARG 82 Ca -0.10 -4.64 -0.34 0.00 -0.77 0.00 0.00 57.85 52.00 3km4 n ARG 82 Cb 0.43 -2.46 0.11 0.00 -1.02 0.00 0.00 32.46 29.53 3km4 n ARG 82 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3km4 n TYR 83 N 0.51 0.79 0.25 -1.55 4.01 -1.23 -4.84 117.16 115.11 3km4 n TYR 83 Ca 0.37 0.39 0.13 0.00 -0.16 0.00 0.00 57.90 58.63 3km4 n TYR 83 Cb 0.31 -2.07 0.62 0.00 -0.31 0.00 0.00 39.34 37.89 3km4 n TYR 83 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3km4 h SER 84 N -0.74 0.00 1.32 7.72 4.64 -2.00 -2.01 113.55 122.47 3km4 h SER 84 Ca -0.46 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.80 3km4 h SER 84 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 3km4 h SER 84 CO 0.45 0.13 -0.70 0.71 -0.87 0.00 0.00 176.83 176.54 3km4 h THR 85 N 0.00 0.31 0.00 2.95 1.35 -1.99 -3.48 112.91 112.05 3km4 h THR 85 Ca -0.00 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.36 3km4 h THR 85 Cb 0.56 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 3km4 h THR 85 CO 0.02 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 3km4 n GLY 86 N 1.21 2.49 3.74 5.82 0.00 -0.76 -4.50 105.19 113.19 3km4 n GLY 86 Ca -0.00 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3km4 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3km4 s THR 87 N 0.00 3.98 0.16 2.61 2.01 -1.26 -3.50 115.64 119.65 3km4 s THR 87 Ca 0.00 1.70 0.09 0.00 0.31 0.00 0.00 61.69 63.79 3km4 s THR 87 Cb 0.00 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 3km4 s THR 87 CO 0.00 0.28 -0.12 0.68 -0.69 0.00 0.00 174.62 174.77 3km4 s VAL 88 N -0.18 3.09 0.02 3.82 -7.23 -0.42 -4.48 120.40 115.01 3km4 s VAL 88 Ca 0.49 -1.60 -0.03 0.00 -1.81 0.00 0.00 61.98 59.03 3km4 s VAL 88 Cb -0.28 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 3km4 s VAL 88 CO 0.34 -0.04 0.04 -0.44 -0.31 0.00 0.00 175.10 174.70 3km4 s SER 89 N -2.59 0.17 0.00 4.85 0.01 -1.11 -0.55 113.70 114.48 3km4 s SER 89 Ca 0.23 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.07 3km4 s SER 89 Cb -0.09 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.29 3km4 s SER 89 CO 0.14 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.03 3km4 n GLY 90 N 1.39 -0.59 3.15 3.44 0.00 0.05 -0.10 105.19 112.53 3km4 n GLY 90 Ca -0.23 0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 3km4 n GLY 90 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3km4 s PHE 91 N -0.35 0.18 0.21 1.61 -0.12 -0.21 -1.11 117.98 118.19 3km4 s PHE 91 Ca 0.00 -0.52 -0.30 0.00 -0.05 0.00 0.00 56.93 56.06 3km4 s PHE 91 Cb 0.00 -0.11 -0.08 0.00 -0.63 0.00 0.00 43.02 42.19 3km4 s PHE 91 CO 0.00 -0.43 1.07 -0.51 -0.05 0.00 0.00 175.22 175.30 3km4 s LEU 92 N -2.39 4.53 0.05 -1.99 1.43 0.28 -0.17 118.68 120.42 3km4 s LEU 92 Ca -0.01 2.10 -0.00 0.00 -1.03 0.00 0.00 54.13 55.18 3km4 s LEU 92 Cb 0.01 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 3km4 s LEU 92 CO -0.07 -0.14 -0.04 -0.44 0.23 0.00 0.00 176.35 175.89 3km4 s SER 93 N -0.44 0.58 -0.02 2.29 0.01 0.20 0.18 113.70 116.51 3km4 s SER 93 Ca 0.47 -0.86 0.06 0.00 1.31 0.00 0.00 55.95 56.93 3km4 s SER 93 Cb -0.29 0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 3km4 s SER 93 CO 0.36 -0.48 -0.21 -1.58 0.41 0.00 0.00 173.24 171.74 3km4 s GLN 94 N -3.20 1.71 0.32 12.44 0.74 -0.78 -0.95 119.66 129.94 3km4 s GLN 94 Ca 0.02 -0.73 -0.19 0.00 0.05 0.00 0.00 55.36 54.50 3km4 s GLN 94 Cb 0.02 -1.63 0.04 0.00 1.10 0.00 0.00 33.01 32.54 3km4 s GLN 94 CO -0.06 0.43 0.76 0.34 -0.55 0.00 0.00 175.29 176.21 3km4 s ASP 95 N -0.44 -0.14 0.01 6.67 -1.08 -0.97 -0.56 116.67 120.16 3km4 s ASP 95 Ca 0.07 -0.84 -0.30 0.00 -0.52 0.00 0.00 52.55 50.96 3km4 s ASP 95 Cb -0.08 0.77 -0.03 0.00 -1.46 0.00 0.00 42.92 42.12 3km4 s ASP 95 CO -0.00 -1.48 1.02 0.27 0.52 0.00 0.00 175.17 175.49 3km4 s ILE 96 N -3.19 4.73 -0.14 4.11 -4.36 -1.26 -1.25 121.20 119.84 3km4 s ILE 96 Ca 0.13 1.96 0.01 0.00 -0.26 0.00 0.00 60.65 62.50 3km4 s ILE 96 Cb -0.05 -4.26 0.00 0.00 1.25 0.00 0.00 42.46 39.40 3km4 s ILE 96 CO 0.09 0.15 -0.18 -0.63 0.24 0.00 0.00 174.94 174.61 3km4 s ILE 97 N 1.03 2.42 -0.15 8.37 1.01 0.15 -1.15 121.20 132.88 3km4 s ILE 97 Ca 0.53 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 60.17 3km4 s ILE 97 Cb -0.22 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 3km4 s ILE 97 CO 0.28 0.53 0.36 0.42 0.00 0.00 0.00 174.94 176.53 3km4 s THR 98 N 0.75 5.26 -0.15 2.92 -4.23 0.69 -0.98 115.64 119.90 3km4 s THR 98 Ca -0.07 0.69 -0.04 0.00 -1.18 0.00 0.00 61.69 61.09 3km4 s THR 98 Cb -0.16 -3.70 0.06 0.00 1.34 0.00 0.00 72.50 70.04 3km4 s THR 98 CO 0.00 0.37 0.07 -0.69 -0.54 0.00 0.00 174.62 173.83 3km4 s VAL 99 N 0.53 0.02 0.00 2.29 1.01 0.12 -1.92 120.40 122.45 3km4 s VAL 99 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.04 3km4 s VAL 99 Cb -0.14 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.66 3km4 s VAL 99 CO 0.06 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.58 3km4 n GLY 100 N 5.24 3.30 0.70 4.51 0.00 -1.26 -2.15 105.19 115.54 3km4 n GLY 100 Ca -0.07 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 45.94 3km4 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3km4 n GLY 101 N 0.00 0.45 3.66 -0.02 0.00 -1.26 -4.92 105.19 103.10 3km4 n GLY 101 Ca 0.00 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 3km4 n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3km4 s ILE 102 N -2.10 4.87 -0.11 -0.61 1.01 -0.91 -5.05 121.20 118.29 3km4 s ILE 102 Ca 0.29 1.57 -0.04 0.00 0.00 0.00 0.00 60.65 62.47 3km4 s ILE 102 Cb 0.20 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 3km4 s ILE 102 CO 0.36 -0.01 0.03 -0.89 0.00 0.00 0.00 174.94 174.43 3km4 s THR 103 N 2.45 4.53 -0.18 2.92 2.01 -1.26 -0.70 115.64 125.40 3km4 s THR 103 Ca 0.36 -0.16 -0.15 0.00 0.31 0.00 0.00 61.69 62.05 3km4 s THR 103 Cb -0.16 -2.94 0.05 0.00 0.01 0.00 0.00 72.50 69.46 3km4 s THR 103 CO 0.10 0.57 0.47 0.54 -0.69 0.00 0.00 174.62 175.61 3km4 s VAL 104 N -0.58 -0.00 -0.11 3.82 0.11 -0.15 -4.95 120.40 118.53 3km4 s VAL 104 Ca 0.10 0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.87 3km4 s VAL 104 Cb -0.12 -0.67 -0.02 0.00 -1.53 0.00 0.00 36.38 34.05 3km4 s VAL 104 CO 0.02 0.01 1.10 -0.89 -3.33 0.00 0.00 175.10 172.01 3km4 s THR 105 N 0.47 4.55 -0.00 5.04 2.01 -1.26 0.32 115.64 126.76 3km4 s THR 105 Ca -0.02 1.84 0.01 0.00 0.31 0.00 0.00 61.69 63.83 3km4 s THR 105 Cb -0.04 -4.18 -0.00 0.00 0.01 0.00 0.00 72.50 68.28 3km4 s THR 105 CO -0.02 -0.03 -0.04 -1.58 -0.69 0.00 0.00 174.62 172.26 3km4 s GLN 106 N 2.34 0.29 -0.00 4.92 2.00 -0.38 -4.94 119.66 123.88 3km4 s GLN 106 Ca 0.51 -0.16 -0.21 0.00 -2.00 0.00 0.00 55.36 53.50 3km4 s GLN 106 Cb -0.20 -0.27 -0.05 0.00 0.80 0.00 0.00 33.01 33.29 3km4 s GLN 106 CO 0.18 0.07 0.62 1.41 -0.50 0.00 0.00 175.29 177.07 3km4 s MET 107 N -0.16 4.35 0.09 1.67 -2.45 -1.26 -2.30 119.30 119.23 3km4 s MET 107 Ca 0.01 0.78 -0.06 0.00 -1.25 0.00 0.00 55.69 55.17 3km4 s MET 107 Cb -0.02 -3.35 -0.02 0.00 1.25 0.00 0.00 34.83 32.69 3km4 s MET 107 CO -0.00 0.34 0.12 -0.59 1.05 0.00 0.00 175.02 175.94 3km4 s PHE 108 N -0.13 0.37 -0.07 4.11 -0.12 -0.13 -4.66 117.98 117.35 3km4 s PHE 108 Ca 0.32 -0.83 -0.24 0.00 -0.05 0.00 0.00 56.93 56.14 3km4 s PHE 108 Cb -0.18 -0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 41.97 3km4 s PHE 108 CO 0.18 -0.51 0.71 0.20 -0.05 0.00 0.00 175.22 175.75 3km4 s GLY 109 N -2.91 2.59 -0.45 1.99 0.00 0.53 -0.63 107.32 108.44 3km4 s GLY 109 Ca 0.09 0.13 -0.26 0.00 0.00 0.00 0.00 44.72 44.68 3km4 s GLY 109 CO -0.08 1.23 0.94 -0.54 0.00 0.00 0.00 173.10 174.65 3km4 s GLU 110 N 0.92 3.60 -0.13 2.90 2.02 0.76 -1.40 118.70 127.37 3km4 s GLU 110 Ca 0.38 0.26 -0.21 0.00 0.02 0.00 0.00 54.97 55.42 3km4 s GLU 110 Cb -0.18 -3.90 -0.03 0.00 0.10 0.00 0.00 34.13 30.12 3km4 s GLU 110 CO 0.18 -1.18 0.61 0.08 0.02 0.00 0.00 175.26 174.97 3km4 s VAL 111 N 3.75 5.08 -0.35 2.63 1.01 -0.05 -1.04 120.40 131.43 3km4 s VAL 111 Ca 0.38 1.22 0.03 0.00 0.00 0.00 0.00 61.98 63.61 3km4 s VAL 111 Cb -0.10 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.35 3km4 s VAL 111 CO 0.25 0.22 0.54 0.35 0.00 0.00 0.00 175.10 176.47 3km4 n THR 112 N 4.08 0.00 -4.08 3.92 -2.24 0.86 -1.22 114.28 115.61 3km4 n THR 112 Ca -0.03 -0.49 -0.23 0.00 -2.27 0.00 0.00 64.05 61.03 3km4 n THR 112 Cb 0.51 1.06 -0.17 0.00 -2.10 0.00 0.00 70.33 69.63 3km4 n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3km4 s GLU 113 N -0.36 1.07 -0.28 -0.78 2.02 -0.65 -4.16 118.70 115.56 3km4 s GLU 113 Ca 0.03 -0.14 0.00 0.00 0.02 0.00 0.00 54.97 54.89 3km4 s GLU 113 Cb 0.02 -1.13 0.15 0.00 0.10 0.00 0.00 34.13 33.27 3km4 s GLU 113 CO 0.05 -0.16 0.36 1.41 0.02 0.00 0.00 175.26 176.94 3km4 s MET 114 N 1.31 0.37 0.46 1.61 1.75 -1.26 -2.73 119.30 120.81 3km4 s MET 114 Ca -0.04 0.11 -0.23 0.00 -1.25 0.00 0.00 55.69 54.28 3km4 s MET 114 Cb -0.14 -0.46 -0.07 0.00 2.84 0.00 0.00 34.83 37.00 3km4 s MET 114 CO -0.03 -0.96 1.17 -1.25 -0.65 0.00 0.00 175.02 173.30 3km4 s PRO 115 N 2.48 3.74 0.11 4.11 0.04 -1.26 -4.49 135.00 139.72 3km4 s PRO 115 Ca 0.10 1.79 -0.18 0.00 0.04 0.00 0.00 61.00 62.75 3km4 s PRO 115 Cb -0.13 -2.40 -0.05 0.00 0.04 0.00 0.00 34.50 31.95 3km4 s PRO 115 CO -0.28 -0.58 1.62 0.00 0.04 0.00 0.00 177.00 177.80 3km4 h ALA 116 N 2.03 0.39 -1.92 8.56 0.00 -1.99 -1.85 119.26 124.48 3km4 h ALA 116 Ca -0.49 -0.15 -0.60 0.00 0.00 0.00 0.00 54.91 53.67 3km4 h ALA 116 Cb 1.25 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 3km4 h ALA 116 CO 0.60 0.03 0.62 -1.17 0.00 0.00 0.00 179.25 179.33 3km4 s LEU 117 N -9.71 3.96 0.00 0.00 2.96 -1.26 -0.17 118.68 114.46 3km4 s LEU 117 Ca -0.13 0.23 0.15 0.00 -0.22 0.00 0.00 54.13 54.15 3km4 s LEU 117 Cb 0.09 -3.24 0.12 0.00 0.50 0.00 0.00 46.19 43.65 3km4 s LEU 117 CO 0.74 -1.04 0.97 -0.81 -1.32 0.00 0.00 176.35 174.89 3km4 n PRO 118 N 7.18 1.07 0.25 0.98 -0.04 -1.24 -4.75 135.00 138.45 3km4 n PRO 118 Ca 0.07 -1.39 0.14 0.00 -0.04 0.00 0.00 63.50 62.28 3km4 n PRO 118 Cb 0.48 -1.28 0.58 0.00 -0.04 0.00 0.00 33.50 33.24 3km4 n PRO 118 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3km4 h PHE 119 N 2.90 0.00 0.00 0.54 0.04 -0.16 -0.22 116.94 120.04 3km4 h PHE 119 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3km4 h PHE 119 Cb 0.62 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.77 3km4 h PHE 119 CO 0.00 0.10 0.00 -1.33 -0.60 0.00 0.00 178.31 176.49 3km4 n MET 120 N -3.25 0.61 0.00 1.51 2.81 0.76 -2.02 117.12 117.55 3km4 n MET 120 Ca 0.00 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 55.99 3km4 n MET 120 Cb 0.36 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.35 3km4 n MET 120 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3km4 n LEU 121 N -1.00 1.70 -4.72 4.03 4.77 -0.10 -4.99 117.00 116.69 3km4 n LEU 121 Ca 0.15 -0.72 -0.40 0.00 -0.03 0.00 0.00 56.01 55.00 3km4 n LEU 121 Cb 0.07 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 3km4 n LEU 121 CO 0.11 0.33 0.47 0.00 -1.33 0.00 0.00 177.39 176.97 3km4 s ALA 122 N -2.30 3.31 -0.05 -1.18 0.00 -0.86 -4.96 121.76 115.73 3km4 s ALA 122 Ca 0.15 0.26 0.13 0.00 0.00 0.00 0.00 51.96 52.50 3km4 s ALA 122 Cb 0.15 -3.04 -0.17 0.00 0.00 0.00 0.00 23.12 20.06 3km4 s ALA 122 CO 0.54 -0.08 0.87 0.93 0.00 0.00 0.00 175.76 178.02 3km4 h GLU 123 N 6.45 0.00 -7.33 0.00 4.39 -1.94 -3.46 114.58 112.68 3km4 h GLU 123 Ca -0.42 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 58.77 3km4 h GLU 123 Cb 1.20 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 29.93 3km4 h GLU 123 CO 0.74 0.50 0.39 -0.59 -1.16 0.00 0.00 179.01 178.89 3km4 s PHE 124 N -2.75 3.32 -0.15 4.33 -0.12 -1.26 -4.97 117.98 116.37 3km4 s PHE 124 Ca -0.02 1.38 0.03 0.00 -0.05 0.00 0.00 56.93 58.26 3km4 s PHE 124 Cb 0.08 -2.82 -0.23 0.00 -0.63 0.00 0.00 43.02 39.42 3km4 s PHE 124 CO 0.81 -0.98 0.23 -0.25 -0.05 0.00 0.00 175.22 174.99 3km4 n ASP 125 N -2.85 1.57 -2.69 1.98 8.00 0.72 -4.99 116.55 118.28 3km4 n ASP 125 Ca 0.07 0.13 -0.13 0.00 0.71 0.00 0.00 54.79 55.57 3km4 n ASP 125 Cb 0.54 -0.35 -0.04 0.00 -0.02 0.00 0.00 41.12 41.25 3km4 n ASP 125 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3km4 n GLY 126 N 1.95 2.60 2.99 0.44 0.00 -0.83 -4.29 105.19 108.05 3km4 n GLY 126 Ca -0.33 -1.67 -0.17 0.00 0.00 0.00 0.00 46.02 43.85 3km4 n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3km4 s VAL 127 N -2.87 0.58 -0.34 1.61 1.01 -0.59 -2.61 120.40 117.19 3km4 s VAL 127 Ca 0.27 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 3km4 s VAL 127 Cb 0.00 -0.49 0.07 0.00 0.00 0.00 0.00 36.38 35.96 3km4 s VAL 127 CO 0.19 0.16 0.08 -0.69 0.00 0.00 0.00 175.10 174.84 3km4 s VAL 128 N -0.18 3.19 -0.05 2.92 1.01 -0.20 -0.73 120.40 126.35 3km4 s VAL 128 Ca 0.03 -1.58 -0.30 0.00 0.00 0.00 0.00 61.98 60.12 3km4 s VAL 128 Cb -0.03 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 3km4 s VAL 128 CO -0.00 -0.32 1.24 -0.83 0.00 0.00 0.00 175.10 175.19 3km4 s GLY 129 N 1.46 2.03 -0.05 4.51 0.00 -0.50 -1.13 107.32 113.64 3km4 s GLY 129 Ca -0.00 0.65 0.17 0.00 0.00 0.00 0.00 44.72 45.54 3km4 s GLY 129 CO -0.02 2.28 1.47 1.03 0.00 0.00 0.00 173.10 177.86 3km4 n MET 130 N 5.32 3.11 -0.10 2.90 2.81 0.23 -4.55 117.12 126.84 3km4 n MET 130 Ca 0.11 -2.56 -0.02 0.00 -1.81 0.00 0.00 57.70 53.42 3km4 n MET 130 Cb 0.46 -1.60 0.01 0.00 -0.71 0.00 0.00 33.22 31.38 3km4 n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3km4 n GLY 131 N 0.93 -1.78 3.97 3.03 0.00 0.13 -4.79 105.19 106.69 3km4 n GLY 131 Ca 0.21 -1.57 -0.21 0.00 0.00 0.00 0.00 46.02 44.45 3km4 n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3km4 s PHE 132 N -1.16 3.14 0.54 1.61 0.08 -1.26 -4.76 117.98 116.16 3km4 s PHE 132 Ca 0.05 -0.03 0.20 0.00 0.12 0.00 0.00 56.93 57.26 3km4 s PHE 132 Cb -0.00 -2.15 1.39 0.00 -0.57 0.00 0.00 43.02 41.68 3km4 s PHE 132 CO 0.03 -0.19 2.15 0.97 -0.10 0.00 0.00 175.22 178.09 3km4 h ILE 133 N 0.66 0.88 -0.05 0.64 2.10 -1.90 -0.62 117.51 119.22 3km4 h ILE 133 Ca -0.46 0.00 0.01 0.00 1.08 0.00 0.00 64.86 65.50 3km4 h ILE 133 Cb 1.26 0.97 -0.00 0.00 -1.09 0.00 0.00 36.82 37.95 3km4 h ILE 133 CO 0.54 0.00 0.12 -0.33 -1.08 0.00 0.00 178.15 177.41 3km4 h GLU 134 N 0.00 0.00 -0.01 2.19 3.07 -1.94 -1.98 114.58 115.91 3km4 h GLU 134 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3km4 h GLU 134 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 3km4 h GLU 134 CO -0.00 0.00 -0.34 1.04 -1.40 0.00 0.00 179.01 178.31 3km4 n GLN 135 N -3.34 1.64 -2.25 2.33 6.02 -0.24 -4.97 117.38 116.56 3km4 n GLN 135 Ca -0.02 -0.83 -0.43 0.00 -0.01 0.00 0.00 57.00 55.71 3km4 n GLN 135 Cb 0.20 -1.29 -0.02 0.00 1.02 0.00 0.00 30.24 30.15 3km4 n GLN 135 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3km4 s ALA 136 N -1.92 3.28 0.25 -1.58 0.00 -0.75 -4.50 121.76 116.54 3km4 s ALA 136 Ca 0.14 0.27 -0.31 0.00 0.00 0.00 0.00 51.96 52.06 3km4 s ALA 136 Cb 0.13 -3.83 -0.11 0.00 0.00 0.00 0.00 23.12 19.31 3km4 s ALA 136 CO 0.41 -1.93 1.58 0.42 0.00 0.00 0.00 175.76 176.24 3km4 s ILE 137 N 4.94 2.25 -1.13 0.00 -1.09 -1.26 -1.77 121.20 123.13 3km4 s ILE 137 Ca 0.65 0.20 0.00 0.00 -2.23 0.00 0.00 60.65 59.27 3km4 s ILE 137 Cb -0.21 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 3km4 s ILE 137 CO 0.27 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 3km4 n GLY 138 N 2.69 1.19 2.27 6.18 0.00 -1.26 -3.57 105.19 112.69 3km4 n GLY 138 Ca 0.10 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 3km4 n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3km4 n ARG 139 N -2.54 -1.68 -2.17 1.61 1.74 -0.73 -4.92 116.66 107.98 3km4 n ARG 139 Ca -0.11 0.79 -0.42 0.00 -0.77 0.00 0.00 57.85 57.35 3km4 n ARG 139 Cb 0.37 -5.23 -0.03 0.00 -1.02 0.00 0.00 32.46 26.56 3km4 n ARG 139 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3km4 s VAL 140 N -2.47 3.14 0.12 1.55 1.01 -1.23 -4.93 120.40 117.59 3km4 s VAL 140 Ca 0.00 0.90 -0.31 0.00 0.00 0.00 0.00 61.98 62.57 3km4 s VAL 140 Cb 0.00 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 3km4 s VAL 140 CO 0.00 0.11 1.49 0.28 0.00 0.00 0.00 175.10 176.98 3km4 s THR 141 N 0.42 3.05 0.75 3.92 -1.32 -1.26 -4.85 115.64 116.35 3km4 s THR 141 Ca 0.60 0.71 -0.11 0.00 -1.21 0.00 0.00 61.69 61.68 3km4 s THR 141 Cb -0.38 -3.46 0.04 0.00 -1.51 0.00 0.00 72.50 67.20 3km4 s THR 141 CO 0.36 0.04 1.08 -2.84 -2.21 0.00 0.00 174.62 171.06 3km4 s PRO 142 N 1.41 2.45 0.29 7.08 0.02 -1.26 -4.68 135.00 140.32 3km4 s PRO 142 Ca 0.68 1.00 -0.02 0.00 0.02 0.00 0.00 61.00 62.68 3km4 s PRO 142 Cb -0.39 -1.93 0.42 0.00 0.02 0.00 0.00 34.50 32.61 3km4 s PRO 142 CO 0.31 -1.46 1.90 0.97 -0.33 0.00 0.00 177.00 178.39 3km4 h ILE 143 N -0.98 1.22 -0.25 2.83 2.10 -1.83 -1.92 117.51 118.67 3km4 h ILE 143 Ca -0.44 -0.58 -0.16 0.00 1.08 0.00 0.00 64.86 64.76 3km4 h ILE 143 Cb 1.23 0.30 -0.01 0.00 -1.09 0.00 0.00 36.82 37.25 3km4 h ILE 143 CO 0.55 0.25 -0.49 0.15 -1.08 0.00 0.00 178.15 177.53 3km4 h PHE 144 N 0.98 0.84 -0.25 2.19 3.57 -1.91 0.42 116.94 122.78 3km4 h PHE 144 Ca 0.25 -0.28 0.06 0.00 3.53 0.00 0.00 57.97 61.52 3km4 h PHE 144 Cb 0.07 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.58 3km4 h PHE 144 CO 0.01 1.03 -0.10 -0.44 -2.23 0.00 0.00 178.31 176.58 3km4 h ASP 145 N 0.54 -0.36 -0.50 0.41 5.19 -1.77 0.12 116.42 120.05 3km4 h ASP 145 Ca 0.03 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 3km4 h ASP 145 Cb 1.04 0.21 -0.03 0.00 0.18 0.00 0.00 39.33 40.73 3km4 h ASP 145 CO 0.10 -0.13 0.28 0.78 -3.12 0.00 0.00 179.24 177.15 3km4 h ASN 146 N -0.06 0.64 -0.35 6.45 2.35 -1.07 -1.63 115.58 121.92 3km4 h ASN 146 Ca 0.13 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 3km4 h ASN 146 Cb 0.26 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3km4 h ASN 146 CO -0.30 0.52 0.13 0.40 -1.65 0.00 0.00 177.43 176.54 3km4 h ILE 147 N 0.73 1.19 -0.66 2.81 2.04 -0.15 -2.97 117.51 120.50 3km4 h ILE 147 Ca 0.19 -0.60 0.08 0.00 1.00 0.00 0.00 64.86 65.53 3km4 h ILE 147 Cb 0.03 0.94 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 3km4 h ILE 147 CO -0.03 0.21 0.32 0.40 0.00 0.00 0.00 178.15 179.05 3km4 h ILE 148 N 0.41 0.87 -0.34 -0.67 2.04 -0.36 -1.23 117.51 118.23 3km4 h ILE 148 Ca 0.12 -0.20 0.09 0.00 1.00 0.00 0.00 64.86 65.87 3km4 h ILE 148 Cb 0.20 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3km4 h ILE 148 CO -0.01 0.10 0.24 0.28 0.00 0.00 0.00 178.15 178.77 3km4 h SER 149 N 0.57 0.06 0.49 1.72 0.02 -1.26 0.30 113.55 115.45 3km4 h SER 149 Ca 0.32 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 3km4 h SER 149 Cb 0.31 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 3km4 h SER 149 CO -0.25 0.04 -0.05 1.56 -1.14 0.00 0.00 176.83 177.00 3km4 h GLN 150 N 0.07 0.00 -6.31 3.45 4.20 -1.06 -3.47 115.11 111.99 3km4 h GLN 150 Ca 0.16 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.41 3km4 h GLN 150 Cb 0.55 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3km4 h GLN 150 CO -0.01 0.05 -0.85 0.41 -0.67 0.00 0.00 178.83 177.75 3km4 n GLY 151 N -0.55 -0.27 0.03 3.46 0.00 0.09 -4.92 105.19 103.04 3km4 n GLY 151 Ca -0.01 0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.16 3km4 n GLY 151 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3km4 n VAL 152 N -4.36 0.32 -2.69 1.61 0.24 -1.26 -2.03 118.33 110.16 3km4 n VAL 152 Ca -0.28 -0.38 -0.35 0.00 -2.04 0.00 0.00 64.34 61.29 3km4 n VAL 152 Cb 0.67 -0.14 -0.06 0.00 -1.47 0.00 0.00 33.84 32.85 3km4 n VAL 152 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3km4 s LEU 153 N -4.27 4.12 0.08 1.34 1.43 -1.26 0.24 118.68 120.36 3km4 s LEU 153 Ca -0.05 1.87 -0.35 0.00 -1.03 0.00 0.00 54.13 54.57 3km4 s LEU 153 Cb 0.06 -4.26 -0.18 0.00 0.03 0.00 0.00 46.19 41.85 3km4 s LEU 153 CO 0.52 -0.35 1.59 0.11 0.23 0.00 0.00 176.35 178.45 3km4 h LYS 154 N 2.47 -0.98 -6.10 1.70 1.79 -1.42 -3.40 116.57 110.62 3km4 h LYS 154 Ca -0.48 0.07 -0.56 0.00 -2.18 0.00 0.00 60.65 57.50 3km4 h LYS 154 Cb 1.20 0.22 -0.23 0.00 -1.58 0.00 0.00 32.23 31.84 3km4 h LYS 154 CO 0.62 -0.66 -0.83 -1.21 -1.08 0.00 0.00 179.45 176.30 3km4 s GLU 155 N -5.97 1.17 -1.09 3.15 0.41 -0.98 -4.95 118.70 110.44 3km4 s GLU 155 Ca -0.18 -1.09 -0.11 0.00 -0.41 0.00 0.00 54.97 53.18 3km4 s GLU 155 Cb 0.04 -1.39 -0.07 0.00 -1.78 0.00 0.00 34.13 30.93 3km4 s GLU 155 CO 0.61 0.33 2.26 -0.25 -0.49 0.00 0.00 175.26 177.72 3km4 n ASP 156 N 1.30 5.09 -4.04 -0.19 8.00 -1.26 -4.16 116.55 121.29 3km4 n ASP 156 Ca -0.19 -2.51 -0.08 0.00 0.71 0.00 0.00 54.79 52.72 3km4 n ASP 156 Cb 0.54 -1.26 -0.10 0.00 -0.02 0.00 0.00 41.12 40.27 3km4 n ASP 156 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3km4 s VAL 157 N 3.47 0.17 0.06 2.53 -7.23 -1.26 -0.32 120.40 117.81 3km4 s VAL 157 Ca 0.50 -1.42 -0.01 0.00 -1.81 0.00 0.00 61.98 59.24 3km4 s VAL 157 Cb 0.13 -0.99 -0.04 0.00 0.56 0.00 0.00 36.38 36.05 3km4 s VAL 157 CO -0.01 -0.78 -0.02 0.72 -0.31 0.00 0.00 175.10 174.70 3km4 s PHE 158 N -2.87 0.52 0.07 2.82 -0.12 -0.46 -0.25 117.98 117.68 3km4 s PHE 158 Ca -0.03 -1.06 -0.05 0.00 -0.05 0.00 0.00 56.93 55.74 3km4 s PHE 158 Cb 0.00 -0.38 -0.02 0.00 -0.63 0.00 0.00 43.02 42.00 3km4 s PHE 158 CO -0.06 -0.39 0.10 -1.54 -0.05 0.00 0.00 175.22 173.27 3km4 s SER 159 N -2.92 0.28 -0.11 1.98 1.04 0.13 -1.06 113.70 113.03 3km4 s SER 159 Ca 0.08 -0.79 0.02 0.00 0.48 0.00 0.00 55.95 55.74 3km4 s SER 159 Cb 0.08 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.49 3km4 s SER 159 CO -0.09 -0.67 -0.18 -0.36 0.98 0.00 0.00 173.24 172.92 3km4 s PHE 160 N -3.84 2.18 -0.21 5.02 0.08 -0.66 -0.79 117.98 119.75 3km4 s PHE 160 Ca 0.05 -1.01 -0.03 0.00 0.12 0.00 0.00 56.93 56.06 3km4 s PHE 160 Cb 0.06 -1.53 -0.01 0.00 -0.57 0.00 0.00 43.02 40.98 3km4 s PHE 160 CO -0.10 -0.48 -0.06 -0.47 -0.10 0.00 0.00 175.22 174.00 3km4 s TYR 161 N 0.82 2.94 -0.17 0.36 5.04 0.58 -2.58 117.35 124.34 3km4 s TYR 161 Ca -0.09 -0.96 -0.03 0.00 -2.44 0.00 0.00 57.07 53.55 3km4 s TYR 161 Cb -0.16 -2.08 -0.02 0.00 0.35 0.00 0.00 41.96 40.06 3km4 s TYR 161 CO 0.00 -0.54 -0.06 0.71 -1.34 0.00 0.00 175.55 174.32 3km4 s TYR 162 N 1.39 2.94 0.25 4.97 2.02 -1.26 0.05 117.35 127.71 3km4 s TYR 162 Ca 0.05 -0.60 0.03 0.00 -0.37 0.00 0.00 57.07 56.18 3km4 s TYR 162 Cb -0.14 -1.98 -0.03 0.00 -0.40 0.00 0.00 41.96 39.41 3km4 s TYR 162 CO -0.03 -0.25 0.39 1.21 -1.57 0.00 0.00 175.55 175.30 3km4 s ASN 163 N 0.73 6.32 0.45 2.29 2.47 0.09 -4.27 114.94 123.02 3km4 s ASN 163 Ca -0.03 0.20 -0.20 0.00 0.42 0.00 0.00 52.86 53.25 3km4 s ASN 163 Cb -0.15 -1.92 -0.10 0.00 -1.45 0.00 0.00 41.25 37.63 3km4 s ASN 163 CO 0.02 -0.10 0.95 0.00 -3.72 0.00 0.00 177.10 174.25 3km4 s ARG 164 N -3.89 4.16 0.28 0.43 1.04 -1.26 -4.87 118.95 114.83 3km4 s ARG 164 Ca 0.36 1.07 -0.29 0.00 -1.04 0.00 0.00 55.73 55.83 3km4 s ARG 164 Cb -0.10 -2.17 -0.10 0.00 -2.04 0.00 0.00 34.95 30.54 3km4 s ARG 164 CO 0.30 -0.09 1.33 0.34 -0.04 0.00 0.00 175.30 177.14 3km4 s ASP 165 N -2.40 6.81 0.12 -2.89 2.15 -1.26 -4.98 116.67 114.21 3km4 s ASP 165 Ca 0.61 2.59 0.07 0.00 0.43 0.00 0.00 52.55 56.25 3km4 s ASP 165 Cb -0.09 -2.63 -0.04 0.00 -0.30 0.00 0.00 42.92 39.86 3km4 s ASP 165 CO 0.18 -0.55 -0.16 -0.55 -0.17 0.00 0.00 175.17 173.92 3km4 s SER 166 N -0.11 2.19 0.17 -0.34 0.15 -1.26 -5.03 113.70 109.47 3km4 s SER 166 Ca 0.53 -0.78 -0.16 0.00 0.70 0.00 0.00 55.95 56.24 3km4 s SER 166 Cb -0.39 -0.10 0.12 0.00 -1.71 0.00 0.00 66.02 63.94 3km4 s SER 166 CO 0.46 -0.08 1.67 -0.08 1.20 0.00 0.00 173.24 176.41 3km4 h GLU 167 N 3.64 0.02 -6.32 5.44 4.81 -2.01 -3.45 114.58 116.71 3km4 h GLU 167 Ca -0.41 -0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.21 3km4 h GLU 167 Cb 1.20 -0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.60 3km4 h GLU 167 CO 0.48 0.01 1.06 0.09 -0.73 0.00 0.00 179.01 179.92 3km4 n ASN 168 N -5.31 3.44 0.10 1.04 5.03 -1.26 -4.84 115.26 113.47 3km4 n ASN 168 Ca 0.03 0.99 0.06 0.00 0.87 0.00 0.00 54.58 56.53 3km4 n ASN 168 Cb 0.23 -1.39 0.34 0.00 -1.02 0.00 0.00 39.78 37.95 3km4 n ASN 168 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3km4 n SER 169 N 6.16 0.33 0.06 6.41 3.41 -1.26 -1.39 113.62 127.34 3km4 n SER 169 Ca 0.22 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.57 3km4 n SER 169 Cb 0.30 -0.66 0.20 0.00 -0.26 0.00 0.00 64.21 63.80 3km4 n SER 169 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3km4 n GLN 170 N -1.94 0.28 -2.35 4.33 6.02 -1.26 -4.95 117.38 117.51 3km4 n GLN 170 Ca -0.01 0.10 -0.41 0.00 -0.01 0.00 0.00 57.00 56.67 3km4 n GLN 170 Cb 0.07 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 29.61 3km4 n GLN 170 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3km4 s SER 171 N -4.21 7.05 -0.17 1.08 0.15 -0.48 -4.99 113.70 112.12 3km4 s SER 171 Ca 0.07 2.21 -0.29 0.00 0.70 0.00 0.00 55.95 58.64 3km4 s SER 171 Cb 0.13 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.83 3km4 s SER 171 CO 0.70 -0.43 1.31 -0.22 1.20 0.00 0.00 173.24 175.80 3km4 s LEU 172 N 0.15 4.17 0.39 3.45 2.96 -1.26 -4.93 118.68 123.61 3km4 s LEU 172 Ca 0.55 1.70 0.12 0.00 -0.22 0.00 0.00 54.13 56.29 3km4 s LEU 172 Cb -0.33 -3.54 0.81 0.00 0.50 0.00 0.00 46.19 43.63 3km4 s LEU 172 CO 0.35 -0.81 1.89 1.23 -1.32 0.00 0.00 176.35 177.68 3km4 h GLY 173 N 9.90 0.05 0.00 7.98 0.00 -1.91 -3.42 103.07 115.67 3km4 h GLY 173 Ca -0.28 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3km4 h GLY 173 CO 0.97 0.03 0.00 0.61 0.00 0.00 0.00 176.54 178.16 3km4 n GLY 174 N -0.69 -0.72 3.64 4.60 0.00 -1.07 -0.73 105.19 110.21 3km4 n GLY 174 Ca -0.02 -1.15 -0.08 0.00 0.00 0.00 0.00 46.02 44.77 3km4 n GLY 174 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3km4 s GLN 175 N -2.00 0.68 -0.09 1.61 0.74 0.11 -0.78 119.66 119.94 3km4 s GLN 175 Ca 0.00 1.05 -0.00 0.00 0.05 0.00 0.00 55.36 56.45 3km4 s GLN 175 Cb 0.00 0.21 -0.03 0.00 1.10 0.00 0.00 33.01 34.29 3km4 s GLN 175 CO 0.00 -0.12 -0.05 -1.50 -0.55 0.00 0.00 175.29 173.07 3km4 s ILE 176 N 1.18 3.84 -0.17 -2.34 2.07 -0.69 -0.30 121.20 124.78 3km4 s ILE 176 Ca -0.06 -0.42 -0.03 0.00 -1.41 0.00 0.00 60.65 58.73 3km4 s ILE 176 Cb -0.05 -2.59 -0.02 0.00 0.13 0.00 0.00 42.46 39.93 3km4 s ILE 176 CO -0.13 0.58 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.73 3km4 s VAL 177 N -0.63 3.56 -0.25 4.00 1.01 0.03 -0.77 120.40 127.35 3km4 s VAL 177 Ca 0.10 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 3km4 s VAL 177 Cb -0.12 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 3km4 s VAL 177 CO 0.02 0.48 0.41 -0.76 0.00 0.00 0.00 175.10 175.25 3km4 s LEU 178 N 0.64 4.07 0.00 3.92 1.43 0.30 0.19 118.68 129.23 3km4 s LEU 178 Ca -0.04 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 3km4 s LEU 178 Cb -0.15 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.57 3km4 s LEU 178 CO 0.02 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.04 3km4 n GLY 179 N 4.43 1.72 0.00 -3.19 0.00 0.65 -0.88 105.19 107.92 3km4 n GLY 179 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3km4 n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3km4 n GLY 180 N -1.43 2.52 3.27 -0.02 0.00 -1.25 -2.32 105.19 105.96 3km4 n GLY 180 Ca 0.00 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 3km4 n GLY 180 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3km4 s SER 181 N 2.00 0.95 -0.34 1.61 0.01 -1.26 -3.69 113.70 112.98 3km4 s SER 181 Ca 0.00 -1.34 0.01 0.00 1.31 0.00 0.00 55.95 55.93 3km4 s SER 181 Cb 0.00 0.20 0.09 0.00 0.21 0.00 0.00 66.02 66.52 3km4 s SER 181 CO 0.00 -0.73 0.06 -0.62 0.41 0.00 0.00 173.24 172.36 3km4 s ASP 182 N -3.25 4.87 0.61 2.44 -1.08 -1.26 -5.00 116.67 114.00 3km4 s ASP 182 Ca 0.35 -1.86 0.32 0.00 -0.52 0.00 0.00 52.55 50.84 3km4 s ASP 182 Cb 0.07 -1.68 1.81 0.00 -1.46 0.00 0.00 42.92 41.66 3km4 s ASP 182 CO 0.11 -0.37 2.14 1.55 0.52 0.00 0.00 175.17 179.11 3km4 h PRO 183 N 7.81 0.00 -0.18 4.34 0.13 -2.01 0.31 132.00 142.40 3km4 h PRO 183 Ca -0.11 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.07 3km4 h PRO 183 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 3km4 h PRO 183 CO 0.56 0.00 0.32 1.96 -0.23 0.00 0.00 178.00 180.61 3km4 h GLN 184 N 0.00 0.00 -0.15 0.86 4.20 -2.01 -3.11 115.11 114.90 3km4 h GLN 184 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3km4 h GLN 184 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3km4 h GLN 184 CO -0.00 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.88 3km4 n HIS 185 N -3.39 0.19 -3.96 2.96 8.25 0.11 -4.72 115.22 114.64 3km4 n HIS 185 Ca 0.02 -0.24 -0.09 0.00 -0.26 0.00 0.00 57.72 57.15 3km4 n HIS 185 Cb 0.43 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.45 3km4 n HIS 185 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3km4 s TYR 186 N -0.88 0.41 -0.04 4.41 -0.85 -1.18 -0.56 117.35 118.66 3km4 s TYR 186 Ca 0.15 -0.78 0.06 0.00 -0.52 0.00 0.00 57.07 55.98 3km4 s TYR 186 Cb 0.09 -0.10 -0.02 0.00 0.38 0.00 0.00 41.96 42.31 3km4 s TYR 186 CO 0.12 -0.67 -0.22 -2.00 -1.52 0.00 0.00 175.55 171.26 3km4 s GLU 187 N -3.96 2.36 3.24 -3.49 2.12 -0.40 -4.80 118.70 113.77 3km4 s GLU 187 Ca 0.16 -0.86 0.00 0.00 0.36 0.00 0.00 54.97 54.63 3km4 s GLU 187 Cb 0.04 -2.17 0.00 0.00 0.26 0.00 0.00 34.13 32.26 3km4 s GLU 187 CO -0.02 0.52 0.00 0.41 -0.54 0.00 0.00 175.26 175.63 3km4 n GLY 188 N 2.57 -0.22 3.61 -1.50 0.00 -1.26 -3.86 105.19 104.54 3km4 n GLY 188 Ca -0.17 -1.07 -0.24 0.00 0.00 0.00 0.00 46.02 44.55 3km4 n GLY 188 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3km4 s ASN 189 N -4.00 4.19 0.15 1.61 -0.87 -1.26 -5.04 114.94 109.73 3km4 s ASN 189 Ca 0.00 -0.91 -0.30 0.00 -1.57 0.00 0.00 52.86 50.08 3km4 s ASN 189 Cb 0.00 -0.57 -0.07 0.00 -0.02 0.00 0.00 41.25 40.59 3km4 s ASN 189 CO 0.00 -0.15 0.98 -0.36 -2.57 0.00 0.00 177.10 175.00 3km4 s PHE 190 N -2.47 3.82 -0.25 2.20 0.08 -1.26 -4.64 117.98 115.46 3km4 s PHE 190 Ca 0.33 1.80 -0.18 0.00 0.12 0.00 0.00 56.93 59.00 3km4 s PHE 190 Cb -0.02 -3.07 -0.03 0.00 -0.57 0.00 0.00 43.02 39.33 3km4 s PHE 190 CO 0.19 0.14 0.51 -1.58 -0.10 0.00 0.00 175.22 174.38 3km4 s HIS 191 N -0.34 3.29 -0.08 0.36 5.65 -0.47 -4.89 115.29 118.81 3km4 s HIS 191 Ca 0.46 0.66 -0.10 0.00 0.25 0.00 0.00 55.06 56.33 3km4 s HIS 191 Cb -0.25 -2.71 -0.05 0.00 -1.18 0.00 0.00 32.58 28.40 3km4 s HIS 191 CO 0.31 -0.25 0.23 0.71 -0.65 0.00 0.00 174.74 175.10 3km4 s TYR 192 N 2.18 3.64 -0.07 3.88 2.02 -1.26 -1.18 117.35 126.56 3km4 s TYR 192 Ca 0.22 0.68 0.02 0.00 -0.37 0.00 0.00 57.07 57.62 3km4 s TYR 192 Cb -0.16 -2.06 0.01 0.00 -0.40 0.00 0.00 41.96 39.36 3km4 s TYR 192 CO 0.09 0.70 -0.13 0.42 -1.57 0.00 0.00 175.55 175.06 3km4 s ILE 193 N -1.01 1.16 0.28 2.71 1.01 -0.33 -4.97 121.20 120.05 3km4 s ILE 193 Ca 0.18 -0.50 -0.28 0.00 0.00 0.00 0.00 60.65 60.05 3km4 s ILE 193 Cb -0.14 -1.06 -0.09 0.00 0.01 0.00 0.00 42.46 41.18 3km4 s ILE 193 CO 0.07 0.36 0.98 0.20 0.00 0.00 0.00 174.94 176.55 3km4 s ASN 194 N 0.64 7.44 0.53 3.58 0.01 -1.26 -1.35 114.94 124.53 3km4 s ASN 194 Ca -0.14 1.98 -0.22 0.00 -0.71 0.00 0.00 52.86 53.77 3km4 s ASN 194 Cb -0.16 -2.60 -0.06 0.00 0.41 0.00 0.00 41.25 38.84 3km4 s ASN 194 CO 0.04 0.01 1.31 0.18 -1.51 0.00 0.00 177.10 177.12 3km4 n LEU 195 N 1.09 5.13 0.02 0.60 4.77 -0.68 -4.65 117.00 123.28 3km4 n LEU 195 Ca -0.00 0.98 -0.10 0.00 -0.03 0.00 0.00 56.01 56.86 3km4 n LEU 195 Cb 0.48 -1.55 -0.04 0.00 -2.33 0.00 0.00 43.42 39.98 3km4 n LEU 195 CO 0.49 -0.71 0.77 0.40 -1.33 0.00 0.00 177.39 177.01 3km4 h ILE 196 N 1.45 0.63 -3.59 -0.08 2.04 -1.63 -3.45 117.51 112.88 3km4 h ILE 196 Ca -0.50 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.26 3km4 h ILE 196 Cb 1.31 0.63 -0.16 0.00 -0.74 0.00 0.00 36.82 37.87 3km4 h ILE 196 CO 0.57 0.00 -0.34 -1.59 0.00 0.00 0.00 178.15 176.79 3km4 s LYS 197 N -6.15 0.79 0.75 2.37 -2.85 -1.26 -5.12 119.74 108.27 3km4 s LYS 197 Ca -0.14 -0.73 -0.15 0.00 -1.00 0.00 0.00 55.97 53.95 3km4 s LYS 197 Cb 0.10 0.33 0.04 0.00 -2.06 0.00 0.00 37.83 36.23 3km4 s LYS 197 CO 0.67 -0.25 1.12 -2.37 0.10 0.00 0.00 175.35 174.62 3km4 n THR 198 N 0.34 2.83 0.00 3.79 5.66 -1.26 -3.79 114.28 121.85 3km4 n THR 198 Ca -0.17 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.51 3km4 n THR 198 Cb 0.61 -1.21 0.00 0.00 -1.55 0.00 0.00 70.33 68.18 3km4 n THR 198 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3km4 n GLY 199 N 0.84 2.41 3.21 1.09 0.00 -1.26 -5.05 105.19 106.42 3km4 n GLY 199 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 3km4 n GLY 199 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3km4 s VAL 200 N -2.42 0.03 -1.28 1.61 0.11 -1.25 -4.32 120.40 112.87 3km4 s VAL 200 Ca 0.00 -0.22 -0.17 0.00 -2.93 0.00 0.00 61.98 58.66 3km4 s VAL 200 Cb 0.00 -0.50 0.01 0.00 -1.53 0.00 0.00 36.38 34.35 3km4 s VAL 200 CO 0.00 -0.12 2.02 0.79 -3.33 0.00 0.00 175.10 174.46 3km4 n TRP 201 N 2.22 3.52 -4.19 1.54 7.02 -1.26 -4.73 117.44 121.56 3km4 n TRP 201 Ca -0.17 -2.63 -0.16 0.00 -1.02 0.00 0.00 57.50 53.52 3km4 n TRP 201 Cb 0.57 -2.45 -0.14 0.00 -2.42 0.00 0.00 31.31 26.86 3km4 n TRP 201 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 3km4 s GLN 202 N 4.03 0.47 0.13 -0.99 0.74 -1.26 -1.66 119.66 121.12 3km4 s GLN 202 Ca 0.52 -0.21 0.05 0.00 0.05 0.00 0.00 55.36 55.76 3km4 s GLN 202 Cb 0.10 -0.45 -0.04 0.00 1.10 0.00 0.00 33.01 33.72 3km4 s GLN 202 CO 0.01 0.12 -0.11 0.96 -0.55 0.00 0.00 175.29 175.72 3km4 s ILE 203 N -0.16 1.16 0.43 -2.34 -4.36 0.66 -1.62 121.20 114.97 3km4 s ILE 203 Ca 0.02 -1.93 -0.22 0.00 -0.26 0.00 0.00 60.65 58.26 3km4 s ILE 203 Cb -0.02 -1.71 -0.10 0.00 1.25 0.00 0.00 42.46 41.88 3km4 s ILE 203 CO -0.00 -0.66 1.00 -1.10 0.24 0.00 0.00 174.94 174.42 3km4 s GLN 204 N -3.40 4.10 -0.05 0.37 -0.21 -1.26 0.23 119.66 119.43 3km4 s GLN 204 Ca 0.13 1.32 0.05 0.00 0.02 0.00 0.00 55.36 56.89 3km4 s GLN 204 Cb 0.00 -2.30 -0.01 0.00 1.00 0.00 0.00 33.01 31.71 3km4 s GLN 204 CO 0.01 -0.17 -0.22 1.41 -2.12 0.00 0.00 175.29 174.20 3km4 s MET 205 N -2.92 2.25 0.29 2.91 -2.45 0.06 -4.51 119.30 114.93 3km4 s MET 205 Ca 0.62 -0.78 0.20 0.00 -1.25 0.00 0.00 55.69 54.48 3km4 s MET 205 Cb -0.16 -1.91 0.12 0.00 1.25 0.00 0.00 34.83 34.13 3km4 s MET 205 CO 0.20 0.32 1.32 0.87 1.05 0.00 0.00 175.02 178.78 3km4 h LYS 206 N 6.16 0.00 0.00 4.11 1.57 -0.69 -1.72 116.57 125.99 3km4 h LYS 206 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3km4 h LYS 206 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3km4 h LYS 206 CO 0.47 0.15 0.00 0.41 -0.57 0.00 0.00 179.45 179.92 3km4 n GLY 207 N 1.19 1.26 2.85 3.86 0.00 -1.25 -4.00 105.19 109.10 3km4 n GLY 207 Ca 0.01 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 3km4 n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3km4 s VAL 208 N -2.00 0.68 -0.17 1.61 1.01 -1.08 0.42 120.40 120.87 3km4 s VAL 208 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 3km4 s VAL 208 Cb 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 3km4 s VAL 208 CO 0.00 0.30 0.10 -0.44 0.00 0.00 0.00 175.10 175.06 3km4 s SER 209 N 1.67 5.97 -0.28 3.32 0.01 0.30 -2.30 113.70 122.38 3km4 s SER 209 Ca 0.02 0.21 -0.05 0.00 1.31 0.00 0.00 55.95 57.44 3km4 s SER 209 Cb -0.13 -2.00 0.02 0.00 0.21 0.00 0.00 66.02 64.12 3km4 s SER 209 CO -0.05 0.23 0.04 -0.69 0.41 0.00 0.00 173.24 173.18 3km4 s VAL 210 N 0.03 3.61 0.00 3.43 1.01 -0.72 -0.42 120.40 127.35 3km4 s VAL 210 Ca 0.08 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3km4 s VAL 210 Cb -0.12 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.39 3km4 s VAL 210 CO 0.00 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.81 3km4 n GLY 211 N 4.80 -0.08 0.00 4.51 0.00 -0.64 -3.40 105.19 110.38 3km4 n GLY 211 Ca -0.15 -0.98 0.08 0.00 0.00 0.00 0.00 46.02 44.97 3km4 n GLY 211 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3km4 n SER 212 N -2.27 0.00 -4.51 1.61 3.41 -1.26 -4.73 113.62 105.87 3km4 n SER 212 Ca 0.00 -0.51 -0.43 0.00 -0.26 0.00 0.00 58.87 57.68 3km4 n SER 212 Cb 0.00 -0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 3km4 n SER 212 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3km4 s SER 213 N -2.00 6.25 -1.18 4.04 0.01 -1.22 -5.03 113.70 114.57 3km4 s SER 213 Ca 0.24 -0.46 -0.18 0.00 1.31 0.00 0.00 55.95 56.86 3km4 s SER 213 Cb 0.11 -2.26 0.09 0.00 0.21 0.00 0.00 66.02 64.17 3km4 s SER 213 CO 0.19 -0.63 1.55 -0.89 0.41 0.00 0.00 173.24 173.87 3km4 s THR 214 N 2.40 4.31 -0.19 1.44 2.01 -1.26 -1.76 115.64 122.59 3km4 s THR 214 Ca 0.17 -1.75 0.14 0.00 0.31 0.00 0.00 61.69 60.55 3km4 s THR 214 Cb -0.16 -5.07 -0.22 0.00 0.01 0.00 0.00 72.50 67.06 3km4 s THR 214 CO 0.15 -1.88 0.02 -0.11 -0.69 0.00 0.00 174.62 172.12 3km4 n LEU 215 N 7.78 0.49 -4.88 4.42 0.00 -1.17 -4.60 117.00 119.04 3km4 n LEU 215 Ca 0.40 -0.02 -0.24 0.00 0.00 0.00 0.00 56.01 56.15 3km4 n LEU 215 Cb 0.47 0.25 -0.04 0.00 0.00 0.00 0.00 43.42 44.10 3km4 n LEU 215 CO 0.69 0.54 -0.14 -0.76 0.00 0.00 0.00 177.39 177.72 3km4 s LEU 216 N -5.55 4.06 -2.01 -1.96 1.43 -0.97 -4.42 118.68 109.26 3km4 s LEU 216 Ca -0.13 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3km4 s LEU 216 Cb 0.06 -2.62 0.00 0.00 0.03 0.00 0.00 46.19 43.66 3km4 s LEU 216 CO 0.74 0.01 0.00 0.00 0.23 0.00 0.00 176.35 177.32 3km4 h GLU 218 N 0.00 0.00 -0.46 0.00 9.09 -1.81 0.14 114.58 121.54 3km4 h GLU 218 Ca -0.44 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 58.88 3km4 h GLU 218 Cb 1.34 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.38 3km4 h GLU 218 CO 0.60 0.00 0.07 -3.47 0.05 0.00 0.00 179.01 176.26 3km4 n ASP 219 N -4.36 4.26 0.00 3.06 2.03 -1.26 -4.90 116.55 115.38 3km4 n ASP 219 Ca 0.06 -3.17 0.00 0.00 0.52 0.00 0.00 54.79 52.19 3km4 n ASP 219 Cb 0.45 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 3km4 n ASP 219 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3km4 n GLY 220 N -0.33 2.33 2.50 0.27 0.00 0.49 -5.10 105.19 105.36 3km4 n GLY 220 Ca 0.30 -1.81 -0.03 0.00 0.00 0.00 0.00 46.02 44.48 3km4 n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3km4 s LEU 222 N 0.00 3.22 -0.05 0.00 1.43 -1.26 -0.76 118.68 121.26 3km4 s LEU 222 Ca 0.14 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3km4 s LEU 222 Cb -0.02 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.34 3km4 s LEU 222 CO 0.05 0.09 0.01 0.00 0.23 0.00 0.00 176.35 176.73 3km4 s ALA 223 N -1.72 0.46 -0.19 4.21 0.00 0.13 -2.41 121.76 122.25 3km4 s ALA 223 Ca 0.27 0.05 -0.14 0.00 0.00 0.00 0.00 51.96 52.14 3km4 s ALA 223 Cb -0.09 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 3km4 s ALA 223 CO 0.18 -0.27 0.29 -1.17 0.00 0.00 0.00 175.76 174.79 3km4 s LEU 224 N 1.53 4.19 -0.48 0.00 2.96 0.52 -0.25 118.68 127.16 3km4 s LEU 224 Ca -0.02 0.43 -0.18 0.00 -0.22 0.00 0.00 54.13 54.14 3km4 s LEU 224 Cb -0.13 -2.36 0.06 0.00 0.50 0.00 0.00 46.19 44.26 3km4 s LEU 224 CO -0.03 0.05 0.53 -0.69 -1.32 0.00 0.00 176.35 174.89 3km4 s VAL 225 N 0.80 5.01 -0.34 1.68 1.01 -0.67 0.53 120.40 128.43 3km4 s VAL 225 Ca 0.15 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 3km4 s VAL 225 Cb -0.13 -4.20 0.11 0.00 0.00 0.00 0.00 36.38 32.15 3km4 s VAL 225 CO 0.05 -0.67 0.14 -0.62 0.00 0.00 0.00 175.10 173.99 3km4 s ASP 226 N 2.51 3.79 0.00 3.32 -1.08 -0.80 -4.68 116.67 119.73 3km4 s ASP 226 Ca 0.11 -1.83 0.22 0.00 -0.52 0.00 0.00 52.55 50.53 3km4 s ASP 226 Cb -0.20 -0.78 1.06 0.00 -1.46 0.00 0.00 42.92 41.54 3km4 s ASP 226 CO 0.11 -0.38 1.71 0.35 0.52 0.00 0.00 175.17 177.47 3km4 n THR 227 N 4.58 0.36 1.05 1.71 -2.24 -1.26 -1.67 114.28 116.81 3km4 n THR 227 Ca 0.01 0.09 0.12 0.00 -2.27 0.00 0.00 64.05 62.00 3km4 n THR 227 Cb 0.40 -0.73 0.17 0.00 -2.10 0.00 0.00 70.33 68.08 3km4 n THR 227 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3km4 n GLY 228 N 0.61 -0.96 3.70 3.38 0.00 -1.26 -4.77 105.19 105.88 3km4 n GLY 228 Ca 0.09 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 3km4 n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3km4 s ALA 229 N -2.86 3.39 0.10 4.61 0.00 -0.67 -4.98 121.76 121.35 3km4 s ALA 229 Ca 0.14 0.13 -0.15 0.00 0.00 0.00 0.00 51.96 52.08 3km4 s ALA 229 Cb 0.18 -3.11 -0.10 0.00 0.00 0.00 0.00 23.12 20.09 3km4 s ALA 229 CO 0.69 -0.34 1.38 0.77 0.00 0.00 0.00 175.76 178.26 3km4 h SER 230 N 7.01 0.78 -0.90 0.00 0.02 -1.87 -0.73 113.55 117.87 3km4 h SER 230 Ca -0.36 -0.52 -0.55 0.00 -0.84 0.00 0.00 61.79 59.53 3km4 h SER 230 Cb 1.17 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.45 3km4 h SER 230 CO 0.78 1.15 -0.31 -0.31 -1.14 0.00 0.00 176.83 177.00 3km4 s TYR 231 N -4.19 1.93 0.26 3.45 1.51 -1.26 -2.97 117.35 116.08 3km4 s TYR 231 Ca -0.12 -0.72 -0.20 0.00 -1.01 0.00 0.00 57.07 55.01 3km4 s TYR 231 Cb 0.08 -2.02 -0.09 0.00 -0.11 0.00 0.00 41.96 39.83 3km4 s TYR 231 CO 0.84 -0.43 0.77 0.42 -1.11 0.00 0.00 175.55 176.04 3km4 s ILE 232 N -2.67 4.51 0.08 2.71 1.01 -0.97 -2.96 121.20 122.90 3km4 s ILE 232 Ca 0.41 1.35 0.04 0.00 0.00 0.00 0.00 60.65 62.46 3km4 s ILE 232 Cb -0.03 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 3km4 s ILE 232 CO 0.25 0.14 -0.12 -0.94 0.00 0.00 0.00 174.94 174.27 3km4 s SER 233 N -1.72 1.52 0.33 3.58 1.04 -0.63 -2.01 113.70 115.81 3km4 s SER 233 Ca 0.46 -0.68 0.07 0.00 0.48 0.00 0.00 55.95 56.28 3km4 s SER 233 Cb -0.16 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 3km4 s SER 233 CO 0.21 -0.15 0.29 -0.83 0.98 0.00 0.00 173.24 173.73 3km4 s GLY 234 N -1.98 2.31 0.71 7.32 0.00 -0.91 -1.30 107.32 113.47 3km4 s GLY 234 Ca -0.00 -2.06 -0.15 0.00 0.00 0.00 0.00 44.72 42.51 3km4 s GLY 234 CO 0.01 -1.46 1.21 -1.35 0.00 0.00 0.00 173.10 171.52 3km4 s SER 235 N -3.37 4.33 0.24 1.64 1.04 -1.26 -0.86 113.70 115.46 3km4 s SER 235 Ca 0.40 2.36 -0.07 0.00 0.48 0.00 0.00 55.95 59.12 3km4 s SER 235 Cb 0.02 -2.59 0.42 0.00 0.10 0.00 0.00 66.02 63.97 3km4 s SER 235 CO 0.28 -2.17 1.66 0.74 0.98 0.00 0.00 173.24 174.73 3km4 h THR 236 N -0.15 0.44 -0.63 2.02 2.02 -1.91 0.17 112.91 114.87 3km4 h THR 236 Ca -0.48 -0.06 -0.09 0.00 0.77 0.00 0.00 66.41 66.55 3km4 h THR 236 Cb 1.30 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 3km4 h THR 236 CO 0.50 0.03 0.03 0.77 0.37 0.00 0.00 175.52 177.22 3km4 h SER 237 N 0.17 1.06 -0.14 4.18 4.64 -2.00 -0.30 113.55 121.16 3km4 h SER 237 Ca 0.40 -0.29 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 3km4 h SER 237 Cb 0.68 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3km4 h SER 237 CO -0.57 1.09 0.06 0.28 -0.87 0.00 0.00 176.83 176.83 3km4 h SER 238 N 1.00 0.19 -0.48 4.97 0.02 -1.80 -2.63 113.55 114.81 3km4 h SER 238 Ca 0.18 -0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 60.91 3km4 h SER 238 Cb 0.53 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 3km4 h SER 238 CO 0.03 0.27 0.01 0.40 -1.14 0.00 0.00 176.83 176.40 3km4 h ILE 239 N 0.09 1.25 -0.64 3.27 1.08 -0.54 0.19 117.51 122.21 3km4 h ILE 239 Ca 0.05 -1.06 -0.00 0.00 -0.39 0.00 0.00 64.86 63.46 3km4 h ILE 239 Cb 0.14 0.84 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 3km4 h ILE 239 CO -0.01 0.38 0.39 -0.33 -0.69 0.00 0.00 178.15 177.90 3km4 h GLU 240 N 0.83 0.87 -0.14 2.37 5.08 -1.02 0.64 114.58 123.20 3km4 h GLU 240 Ca 0.16 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3km4 h GLU 240 Cb 0.49 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3km4 h GLU 240 CO 0.02 0.61 -0.04 0.87 -1.00 0.00 0.00 179.01 179.47 3km4 h LYS 241 N 0.87 0.28 -0.25 2.33 1.57 -1.03 -0.36 116.57 119.98 3km4 h LYS 241 Ca 0.23 -0.11 0.06 0.00 -1.87 0.00 0.00 60.65 58.96 3km4 h LYS 241 Cb -0.04 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.19 3km4 h LYS 241 CO -0.04 0.58 -0.24 1.25 -0.57 0.00 0.00 179.45 180.43 3km4 h LEU 242 N -0.04 -0.76 -1.49 2.94 6.46 -0.79 -0.49 115.31 121.13 3km4 h LEU 242 Ca 0.03 0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.90 3km4 h LEU 242 Cb 0.48 0.36 -0.01 0.00 -0.73 0.00 0.00 40.66 40.76 3km4 h LEU 242 CO 0.02 -0.27 -0.01 0.24 -0.62 0.00 0.00 178.44 177.80 3km4 h MET 243 N -0.24 0.32 -0.29 1.25 2.86 -0.86 -0.83 114.93 117.14 3km4 h MET 243 Ca 0.14 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.67 3km4 h MET 243 Cb 0.45 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 3km4 h MET 243 CO -0.39 0.35 -0.04 1.49 1.06 0.00 0.00 176.91 179.38 3km4 h GLU 244 N 0.31 0.53 -0.78 1.72 4.81 -0.39 -1.24 114.58 119.54 3km4 h GLU 244 Ca 0.07 -0.19 0.08 0.00 -0.13 0.00 0.00 59.36 59.19 3km4 h GLU 244 Cb 0.22 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.50 3km4 h GLU 244 CO 0.01 0.72 0.45 0.00 -0.73 0.00 0.00 179.01 179.45 3km4 h ALA 245 N 0.80 1.09 0.00 2.92 0.00 -0.44 -1.58 119.26 122.04 3km4 h ALA 245 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3km4 h ALA 245 Cb 0.50 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3km4 h ALA 245 CO 0.02 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.67 3km4 n LEU 246 N -4.74 0.59 0.00 0.00 4.77 -0.38 -4.91 117.00 112.33 3km4 n LEU 246 Ca 0.12 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 3km4 n LEU 246 Cb 0.23 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 3km4 n LEU 246 CO 0.28 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 3km4 n GLY 247 N 0.54 0.51 3.80 -0.72 0.00 -0.60 -5.01 105.19 103.71 3km4 n GLY 247 Ca 0.04 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 3km4 n GLY 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3km4 s ALA 248 N -2.00 2.83 -0.09 4.61 0.00 -0.55 -4.96 121.76 121.60 3km4 s ALA 248 Ca 0.00 0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.54 3km4 s ALA 248 Cb 0.00 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 3km4 s ALA 248 CO 0.00 -0.46 -0.04 0.15 0.00 0.00 0.00 175.76 175.41 3km4 s LYS 249 N -3.40 2.98 -0.08 0.00 -0.14 -0.31 -4.71 119.74 114.08 3km4 s LYS 249 Ca 0.67 -0.50 -0.24 0.00 -1.36 0.00 0.00 55.97 54.54 3km4 s LYS 249 Cb -0.17 -2.71 -0.03 0.00 -1.68 0.00 0.00 37.83 33.24 3km4 s LYS 249 CO 0.24 0.61 0.74 0.21 -0.76 0.00 0.00 175.35 176.39 3km4 s LYS 250 N -0.65 4.41 0.37 1.68 2.20 -1.26 -1.46 119.74 125.03 3km4 s LYS 250 Ca 0.10 0.94 0.04 0.00 -0.36 0.00 0.00 55.97 56.69 3km4 s LYS 250 Cb -0.12 -3.48 0.04 0.00 -1.51 0.00 0.00 37.83 32.77 3km4 s LYS 250 CO 0.02 -0.03 0.34 0.54 -0.36 0.00 0.00 175.35 175.87 3km4 n ARG 251 N 4.09 0.90 -0.23 4.03 1.74 0.42 -5.01 116.66 122.59 3km4 n ARG 251 Ca 0.00 -2.19 0.00 0.00 -0.77 0.00 0.00 57.85 54.90 3km4 n ARG 251 Cb 0.51 0.12 0.08 0.00 -1.02 0.00 0.00 32.46 32.15 3km4 n ARG 251 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3km4 h LEU 252 N 0.00 -0.64 -0.56 0.55 5.85 -2.04 -3.32 115.31 115.15 3km4 h LEU 252 Ca -0.21 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3km4 h LEU 252 Cb 0.83 0.42 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3km4 h LEU 252 CO 0.33 -0.23 0.00 0.49 -0.34 0.00 0.00 178.44 178.69 3km4 n PHE 253 N -5.46 0.00 -4.10 1.25 3.72 -1.26 -5.08 117.46 106.53 3km4 n PHE 253 Ca 0.09 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.36 3km4 n PHE 253 Cb 0.35 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.84 3km4 n PHE 253 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 3km4 s ASP 254 N -0.37 0.60 0.08 4.37 -4.77 -1.25 -5.09 116.67 110.25 3km4 s ASP 254 Ca 0.00 -1.35 0.03 0.00 -3.30 0.00 0.00 52.55 47.93 3km4 s ASP 254 Cb 0.00 0.59 -0.04 0.00 -1.09 0.00 0.00 42.92 42.38 3km4 s ASP 254 CO 0.00 -1.17 0.07 -0.31 0.70 0.00 0.00 175.17 174.45 3km4 s TYR 255 N -3.48 3.16 0.06 2.11 2.02 -1.26 -0.44 117.35 119.52 3km4 s TYR 255 Ca 0.31 0.07 0.02 0.00 -0.37 0.00 0.00 57.07 57.09 3km4 s TYR 255 Cb 0.01 -1.61 -0.03 0.00 -0.40 0.00 0.00 41.96 39.93 3km4 s TYR 255 CO 0.17 0.52 -0.08 0.14 -1.57 0.00 0.00 175.55 174.72 3km4 s VAL 256 N -1.37 0.62 0.09 0.71 -7.23 -0.54 -0.44 120.40 112.24 3km4 s VAL 256 Ca 0.29 -1.30 0.05 0.00 -1.81 0.00 0.00 61.98 59.21 3km4 s VAL 256 Cb -0.12 -0.90 -0.03 0.00 0.56 0.00 0.00 36.38 35.89 3km4 s VAL 256 CO 0.21 -0.49 -0.14 0.68 -0.31 0.00 0.00 175.10 175.06 3km4 s VAL 257 N -1.91 1.15 0.16 1.32 -7.23 -0.55 -1.16 120.40 112.18 3km4 s VAL 257 Ca -0.04 -1.44 -0.34 0.00 -1.81 0.00 0.00 61.98 58.35 3km4 s VAL 257 Cb -0.06 -1.22 -0.16 0.00 0.56 0.00 0.00 36.38 35.50 3km4 s VAL 257 CO -0.01 -0.30 1.26 0.29 -0.31 0.00 0.00 175.10 176.03 3km4 n LYS 258 N 1.02 1.31 0.17 4.82 4.76 -1.26 0.33 118.16 129.30 3km4 n LYS 258 Ca -0.19 0.47 0.07 0.00 -2.87 0.00 0.00 58.31 55.78 3km4 n LYS 258 Cb 0.55 -2.03 0.56 0.00 -1.84 0.00 0.00 35.03 32.27 3km4 n LYS 258 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3km4 h ASN 260 N 0.19 0.58 1.62 0.00 -1.07 -1.56 -3.00 115.58 112.34 3km4 h ASN 260 Ca 0.05 -0.01 -0.04 0.00 0.07 0.00 0.00 56.30 56.37 3km4 h ASN 260 Cb -0.02 -0.14 -0.01 0.00 -2.07 0.00 0.00 38.32 36.08 3km4 h ASN 260 CO -0.01 0.41 -0.20 -0.33 0.07 0.00 0.00 177.43 177.37 3km4 h GLU 261 N 0.68 0.00 -0.73 4.14 5.08 -1.20 -3.39 114.58 119.17 3km4 h GLU 261 Ca 0.19 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.62 3km4 h GLU 261 Cb -0.04 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.12 3km4 h GLU 261 CO -0.04 0.20 -0.43 0.41 -1.00 0.00 0.00 179.01 178.15 3km4 n GLY 262 N 0.95 -2.25 0.30 -3.84 0.00 -1.13 -2.37 105.19 96.84 3km4 n GLY 262 Ca 0.03 0.93 0.19 0.00 0.00 0.00 0.00 46.02 47.17 3km4 n GLY 262 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3km4 h PRO 263 N 0.00 0.00 -0.22 1.61 0.11 -1.80 -2.11 132.00 129.59 3km4 h PRO 263 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3km4 h PRO 263 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 3km4 h PRO 263 CO -0.68 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.36 3km4 n THR 264 N -3.07 0.27 -1.91 -1.15 -2.24 -1.00 -4.85 114.28 100.33 3km4 n THR 264 Ca -0.01 -0.61 -0.37 0.00 -2.27 0.00 0.00 64.05 60.80 3km4 n THR 264 Cb 0.23 1.13 0.04 0.00 -2.10 0.00 0.00 70.33 69.63 3km4 n THR 264 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3km4 s LEU 265 N -1.71 3.66 0.69 3.22 1.43 -0.80 -4.99 118.68 120.18 3km4 s LEU 265 Ca 0.34 2.50 -0.13 0.00 -1.03 0.00 0.00 54.13 55.81 3km4 s LEU 265 Cb 0.21 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.88 3km4 s LEU 265 CO 0.31 -1.71 1.09 -2.16 0.23 0.00 0.00 176.35 174.10 3km4 s PRO 266 N -3.29 2.73 0.74 1.29 0.04 -1.26 -4.53 135.00 130.71 3km4 s PRO 266 Ca 0.78 1.22 -0.14 0.00 0.04 0.00 0.00 61.00 62.90 3km4 s PRO 266 Cb -0.34 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.29 3km4 s PRO 266 CO 0.37 -1.28 1.19 -0.51 0.04 0.00 0.00 177.00 176.80 3km4 s ASP 267 N -3.06 4.21 -0.13 6.66 1.01 -1.26 -4.55 116.67 119.54 3km4 s ASP 267 Ca 0.63 2.29 0.03 0.00 0.71 0.00 0.00 52.55 56.21 3km4 s ASP 267 Cb -0.18 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.18 3km4 s ASP 267 CO 0.47 -2.25 -0.21 -0.63 0.21 0.00 0.00 175.17 172.76 3km4 s ILE 268 N -2.10 2.15 -0.04 0.77 1.01 0.48 -1.63 121.20 121.85 3km4 s ILE 268 Ca 0.73 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 60.48 3km4 s ILE 268 Cb -0.27 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 3km4 s ILE 268 CO 0.46 0.55 -0.24 -0.44 0.00 0.00 0.00 174.94 175.27 3km4 s SER 269 N 0.69 2.86 -0.23 3.58 0.01 0.44 -0.36 113.70 120.69 3km4 s SER 269 Ca -0.10 -0.46 -0.06 0.00 1.31 0.00 0.00 55.95 56.64 3km4 s SER 269 Cb -0.16 -0.61 -0.03 0.00 0.21 0.00 0.00 66.02 65.43 3km4 s SER 269 CO 0.01 0.25 0.04 -0.36 0.41 0.00 0.00 173.24 173.60 3km4 s PHE 270 N -0.29 3.07 -0.50 2.43 0.08 0.15 -0.54 117.98 122.39 3km4 s PHE 270 Ca 0.01 -0.44 -0.21 0.00 0.12 0.00 0.00 56.93 56.42 3km4 s PHE 270 Cb -0.12 -2.18 0.04 0.00 -0.57 0.00 0.00 43.02 40.20 3km4 s PHE 270 CO 0.02 -0.31 0.72 -1.58 -0.10 0.00 0.00 175.22 173.97 3km4 s HIS 271 N 1.37 2.98 -0.11 0.36 2.46 0.17 -0.47 115.29 122.04 3km4 s HIS 271 Ca 0.05 -0.25 -0.00 0.00 0.47 0.00 0.00 55.06 55.32 3km4 s HIS 271 Cb -0.15 -3.64 0.02 0.00 -0.13 0.00 0.00 32.58 28.69 3km4 s HIS 271 CO 0.02 -1.08 -0.08 -0.51 -2.47 0.00 0.00 174.74 170.63 3km4 s LEU 272 N 3.05 1.22 -1.34 8.88 1.43 0.43 0.02 118.68 132.37 3km4 s LEU 272 Ca 0.22 -0.30 -0.10 0.00 -1.03 0.00 0.00 54.13 52.91 3km4 s LEU 272 Cb -0.16 -0.84 0.08 0.00 0.03 0.00 0.00 46.19 45.30 3km4 s LEU 272 CO 0.16 -0.11 0.55 0.61 0.23 0.00 0.00 176.35 177.79 3km4 n GLY 273 N 4.86 -0.48 2.05 -3.19 0.00 -1.26 -1.29 105.19 105.87 3km4 n GLY 273 Ca -0.13 0.10 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 3km4 n GLY 273 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3km4 n GLY 274 N -1.23 0.48 3.36 -0.02 0.00 -1.26 -5.03 105.19 101.49 3km4 n GLY 274 Ca -0.01 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 3km4 n GLY 274 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3km4 s LYS 275 N -1.50 1.37 -0.25 1.61 1.02 -0.41 -5.14 119.74 116.43 3km4 s LYS 275 Ca 0.00 -1.64 -0.15 0.00 0.02 0.00 0.00 55.97 54.20 3km4 s LYS 275 Cb 0.00 -1.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.21 3km4 s LYS 275 CO 0.00 0.11 0.38 -1.21 -0.92 0.00 0.00 175.35 173.71 3km4 s GLU 276 N -3.69 4.06 -0.44 1.68 0.41 -1.26 -0.43 118.70 119.03 3km4 s GLU 276 Ca 0.25 0.08 -0.11 0.00 -0.41 0.00 0.00 54.97 54.78 3km4 s GLU 276 Cb 0.01 -3.62 0.08 0.00 -1.78 0.00 0.00 34.13 28.83 3km4 s GLU 276 CO 0.08 -0.20 0.31 0.71 -0.49 0.00 0.00 175.26 175.67 3km4 s TYR 277 N 1.84 3.32 -0.21 1.61 2.02 0.38 -4.92 117.35 121.39 3km4 s TYR 277 Ca 0.16 -1.42 -0.08 0.00 -0.37 0.00 0.00 57.07 55.36 3km4 s TYR 277 Cb -0.15 -3.10 -0.04 0.00 -0.40 0.00 0.00 41.96 38.26 3km4 s TYR 277 CO 0.09 -0.86 0.10 0.99 -1.57 0.00 0.00 175.55 174.30 3km4 s THR 278 N 1.47 4.91 -0.17 -0.71 2.01 -1.26 0.33 115.64 122.22 3km4 s THR 278 Ca 0.04 0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.02 3km4 s THR 278 Cb -0.24 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 3km4 s THR 278 CO 0.03 0.40 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.54 3km4 s LEU 279 N 0.83 3.05 0.71 4.42 1.43 0.52 -4.99 118.68 124.65 3km4 s LEU 279 Ca 0.05 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 3km4 s LEU 279 Cb -0.13 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.38 3km4 s LEU 279 CO 0.02 0.12 1.09 0.42 0.23 0.00 0.00 176.35 178.23 3km4 s THR 280 N 0.65 3.13 0.27 5.49 -4.23 -1.26 -0.39 115.64 119.31 3km4 s THR 280 Ca -0.03 0.29 0.36 0.00 -1.18 0.00 0.00 61.69 61.13 3km4 s THR 280 Cb -0.15 -3.35 0.38 0.00 1.34 0.00 0.00 72.50 70.72 3km4 s THR 280 CO 0.02 -0.45 2.10 0.77 -0.54 0.00 0.00 174.62 176.52 3km4 h SER 281 N -0.68 0.00 0.39 3.99 4.64 -1.80 0.11 113.55 120.21 3km4 h SER 281 Ca -0.45 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.70 3km4 h SER 281 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 3km4 h SER 281 CO 0.64 0.00 -0.70 0.00 -0.87 0.00 0.00 176.83 175.90 3km4 h ALA 282 N 2.02 0.71 0.00 5.18 0.00 -1.88 -1.92 119.26 123.37 3km4 h ALA 282 Ca 0.00 -0.60 -0.16 0.00 0.00 0.00 0.00 54.91 54.15 3km4 h ALA 282 Cb 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3km4 h ALA 282 CO 0.00 0.78 -0.75 -0.44 0.00 0.00 0.00 179.25 178.84 3km4 h ASP 283 N 0.18 0.00 -0.00 0.00 3.32 -1.17 -3.39 116.42 115.36 3km4 h ASP 283 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3km4 h ASP 283 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3km4 h ASP 283 CO 0.11 0.75 -0.03 0.00 -1.72 0.00 0.00 179.24 178.35 3km4 n TYR 284 N -3.58 0.00 -4.48 4.55 0.18 -0.71 -4.96 117.16 108.16 3km4 n TYR 284 Ca -0.01 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.44 3km4 n TYR 284 Cb 0.74 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.57 3km4 n TYR 284 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3km4 s VAL 285 N -0.56 3.56 -0.66 -3.48 1.01 -0.73 -0.15 120.40 119.40 3km4 s VAL 285 Ca 0.05 -0.47 -0.26 0.00 0.00 0.00 0.00 61.98 61.29 3km4 s VAL 285 Cb 0.04 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 3km4 s VAL 285 CO 0.08 0.50 1.77 -0.36 0.00 0.00 0.00 175.10 177.08 3km4 s PHE 286 N 0.48 1.78 -0.85 5.22 0.08 0.07 -4.83 117.98 119.92 3km4 s PHE 286 Ca -0.05 0.62 -0.17 0.00 0.12 0.00 0.00 56.93 57.45 3km4 s PHE 286 Cb -0.15 -4.18 0.16 0.00 -0.57 0.00 0.00 43.02 38.28 3km4 s PHE 286 CO 0.03 -2.23 0.95 -0.65 -0.10 0.00 0.00 175.22 173.23 3km4 s GLN 287 N 6.81 3.53 0.47 0.44 -1.52 -1.26 -4.20 119.66 123.93 3km4 s GLN 287 Ca 0.62 -1.95 0.26 0.00 -1.95 0.00 0.00 55.36 52.35 3km4 s GLN 287 Cb -0.11 -4.66 1.05 0.00 -0.22 0.00 0.00 33.01 29.07 3km4 s GLN 287 CO 0.18 -1.58 1.88 1.05 -0.25 0.00 0.00 175.29 176.57 3km4 h GLU 288 N 8.51 0.00 0.00 2.91 4.11 -1.93 -3.46 114.58 124.72 3km4 h GLU 288 Ca 0.08 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.55 3km4 h GLU 288 Cb 1.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 3km4 h GLU 288 CO 0.98 0.17 0.20 -1.13 0.07 0.00 0.00 179.01 179.30 3km4 n SER 289 N -3.35 -0.87 -0.75 3.06 3.41 -1.26 -5.04 113.62 108.82 3km4 n SER 289 Ca 0.00 -1.53 0.06 0.00 -0.26 0.00 0.00 58.87 57.14 3km4 n SER 289 Cb 0.39 1.43 0.15 0.00 -0.26 0.00 0.00 64.21 65.91 3km4 n SER 289 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3km4 n TYR 290 N -0.28 0.00 -2.53 7.33 4.01 -1.26 -4.70 117.16 119.73 3km4 n TYR 290 Ca -0.02 -1.16 -0.41 0.00 -0.16 0.00 0.00 57.90 56.15 3km4 n TYR 290 Cb 0.26 -0.21 -0.04 0.00 -0.31 0.00 0.00 39.34 39.04 3km4 n TYR 290 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3km4 s SER 291 N -2.83 7.25 0.00 7.72 0.15 -1.26 -3.44 113.70 121.30 3km4 s SER 291 Ca 0.35 2.02 0.18 0.00 0.70 0.00 0.00 55.95 59.21 3km4 s SER 291 Cb 0.35 -2.60 0.93 0.00 -1.71 0.00 0.00 66.02 62.99 3km4 s SER 291 CO -0.08 -0.26 1.56 -1.54 1.20 0.00 0.00 173.24 174.12 3km4 n SER 292 N 2.82 0.00 -0.91 5.45 3.41 -1.26 -2.35 113.62 120.79 3km4 n SER 292 Ca 0.04 0.02 0.10 0.00 -0.26 0.00 0.00 58.87 58.77 3km4 n SER 292 Cb 0.47 -0.29 0.15 0.00 -0.26 0.00 0.00 64.21 64.28 3km4 n SER 292 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3km4 n LYS 293 N -1.29 2.10 -4.32 4.33 5.02 -1.26 -4.87 118.16 117.88 3km4 n LYS 293 Ca 0.09 -1.96 -0.22 0.00 -2.02 0.00 0.00 58.31 54.20 3km4 n LYS 293 Cb 0.15 -1.41 -0.11 0.00 -0.02 0.00 0.00 35.03 33.63 3km4 n LYS 293 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3km4 s LYS 294 N -1.40 1.23 -0.07 1.97 -0.14 -0.99 -5.05 119.74 115.29 3km4 s LYS 294 Ca 0.29 -1.35 0.02 0.00 -1.36 0.00 0.00 55.97 53.57 3km4 s LYS 294 Cb 0.18 -1.32 -0.03 0.00 -1.68 0.00 0.00 37.83 34.99 3km4 s LYS 294 CO 0.26 0.27 -0.11 -0.51 -0.76 0.00 0.00 175.35 174.50 3km4 s LEU 295 N -2.51 2.91 -0.11 3.17 1.43 -1.26 -1.14 118.68 121.17 3km4 s LEU 295 Ca 0.14 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 3km4 s LEU 295 Cb -0.06 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 3km4 s LEU 295 CO 0.06 0.33 -0.14 0.00 0.23 0.00 0.00 176.35 176.83 3km4 s THR 297 N 0.05 3.36 0.07 0.00 2.01 -1.26 -1.49 115.64 118.38 3km4 s THR 297 Ca -0.05 1.13 -0.22 0.00 0.31 0.00 0.00 61.69 62.86 3km4 s THR 297 Cb -0.15 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.58 3km4 s THR 297 CO 0.04 0.17 0.67 -0.76 -0.69 0.00 0.00 174.62 174.06 3km4 s LEU 298 N -0.17 4.50 -0.71 4.42 1.02 0.41 -0.75 118.68 127.40 3km4 s LEU 298 Ca 0.55 1.37 -0.07 0.00 0.02 0.00 0.00 54.13 55.99 3km4 s LEU 298 Cb -0.35 -3.07 -0.16 0.00 0.02 0.00 0.00 46.19 42.63 3km4 s LEU 298 CO 0.38 0.16 3.27 0.00 0.02 0.00 0.00 176.35 180.18 3km4 n ALA 299 N 2.19 6.87 -3.65 4.21 0.00 0.79 -4.63 120.51 126.29 3km4 n ALA 299 Ca -0.07 -2.65 -0.12 0.00 0.00 0.00 0.00 53.44 50.61 3km4 n ALA 299 Cb 0.50 -2.74 -0.12 0.00 0.00 0.00 0.00 19.45 17.09 3km4 n ALA 299 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3km4 s ILE 300 N 1.17 -0.03 0.18 0.00 1.01 -1.26 -2.30 121.20 119.97 3km4 s ILE 300 Ca 0.67 0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.44 3km4 s ILE 300 Cb 0.26 -0.46 -0.00 0.00 0.01 0.00 0.00 42.46 42.27 3km4 s ILE 300 CO -0.04 0.05 0.23 0.00 0.00 0.00 0.00 174.94 175.18 3km4 n HIS 301 N 4.08 -0.84 -3.08 3.97 1.44 -0.85 -4.51 115.22 115.43 3km4 n HIS 301 Ca -0.23 -1.28 -0.40 0.00 -2.01 0.00 0.00 57.72 53.80 3km4 n HIS 301 Cb 0.54 0.26 -0.05 0.00 0.12 0.00 0.00 29.99 30.86 3km4 n HIS 301 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3km4 s ALA 302 N -2.32 3.36 -0.20 1.59 0.00 -1.26 -2.14 121.76 120.80 3km4 s ALA 302 Ca 0.16 0.08 -0.04 0.00 0.00 0.00 0.00 51.96 52.16 3km4 s ALA 302 Cb -0.00 -2.93 0.09 0.00 0.00 0.00 0.00 23.12 20.29 3km4 s ALA 302 CO 0.12 -0.12 0.23 1.41 0.00 0.00 0.00 175.76 177.39 3km4 s MET 303 N 0.86 0.19 -0.66 0.00 0.00 -0.04 -4.89 119.30 114.75 3km4 s MET 303 Ca 0.36 0.24 -0.26 0.00 0.00 0.00 0.00 55.69 56.03 3km4 s MET 303 Cb -0.17 -1.12 0.04 0.00 0.00 0.00 0.00 34.83 33.57 3km4 s MET 303 CO 0.17 -0.63 1.16 -0.51 0.00 0.00 0.00 175.02 175.20 3km4 s ASP 304 N 2.34 6.26 -0.11 1.11 1.01 -1.26 -4.35 116.67 121.66 3km4 s ASP 304 Ca 0.07 -0.40 -0.26 0.00 0.71 0.00 0.00 52.55 52.67 3km4 s ASP 304 Cb -0.16 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.24 3km4 s ASP 304 CO -0.12 -1.60 0.84 -0.63 0.21 0.00 0.00 175.17 173.87 3km4 s ILE 305 N 5.01 4.90 0.58 0.77 1.01 -1.26 -5.04 121.20 127.18 3km4 s ILE 305 Ca 0.34 1.70 -0.15 0.00 0.00 0.00 0.00 60.65 62.54 3km4 s ILE 305 Cb -0.10 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 3km4 s ILE 305 CO 0.17 0.09 1.03 -2.16 0.00 0.00 0.00 174.94 174.08 3km4 s PRO 306 N 1.66 3.49 0.83 2.79 0.04 -1.26 -3.54 135.00 139.01 3km4 s PRO 306 Ca 0.41 1.08 -0.13 0.00 0.04 0.00 0.00 61.00 62.40 3km4 s PRO 306 Cb -0.18 -2.06 0.07 0.00 0.04 0.00 0.00 34.50 32.37 3km4 s PRO 306 CO 0.17 -0.66 1.06 -2.30 0.04 0.00 0.00 177.00 175.31 3km4 n PRO 307 N -2.02 0.08 0.19 0.56 -0.02 -1.16 -1.78 135.00 130.85 3km4 n PRO 307 Ca 0.08 0.10 0.12 0.00 -2.02 0.00 0.00 63.50 61.78 3km4 n PRO 307 Cb 0.53 -2.32 0.13 0.00 -0.02 0.00 0.00 33.50 31.83 3km4 n PRO 307 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3km4 h PRO 308 N -1.02 0.00 -0.32 0.52 0.13 -2.03 -3.44 132.00 125.85 3km4 h PRO 308 Ca -0.46 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.54 3km4 h PRO 308 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 3km4 h PRO 308 CO 0.44 0.00 -0.31 1.15 -0.23 0.00 0.00 178.00 179.05 3km4 h THR 309 N 0.00 1.29 -0.57 1.56 2.02 -1.90 -3.45 112.91 111.86 3km4 h THR 309 Ca 0.00 -1.48 -0.55 0.00 0.77 0.00 0.00 66.41 65.15 3km4 h THR 309 Cb 1.00 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.91 3km4 h THR 309 CO 0.00 0.48 -0.20 -0.83 0.37 0.00 0.00 175.52 175.34 3km4 s GLY 310 N -3.72 2.11 0.73 2.16 0.00 -0.73 -4.61 107.32 103.25 3km4 s GLY 310 Ca -0.12 -1.60 -0.14 0.00 0.00 0.00 0.00 44.72 42.86 3km4 s GLY 310 CO 0.84 -1.85 1.15 -4.14 0.00 0.00 0.00 173.10 169.10 3km4 s PRO 311 N -4.47 2.28 -0.29 2.90 0.02 -1.23 -3.01 135.00 131.21 3km4 s PRO 311 Ca 0.45 1.54 -0.28 0.00 0.02 0.00 0.00 61.00 62.73 3km4 s PRO 311 Cb -0.04 -1.87 0.19 0.00 0.02 0.00 0.00 34.50 32.80 3km4 s PRO 311 CO 0.28 -1.68 1.38 -0.08 -0.33 0.00 0.00 177.00 176.57 3km4 s THR 312 N -2.28 0.00 0.67 0.99 -1.32 -1.26 -4.66 115.64 107.77 3km4 s THR 312 Ca 0.69 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 61.06 3km4 s THR 312 Cb -0.24 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.74 3km4 s THR 312 CO 0.46 0.00 1.05 0.26 -2.21 0.00 0.00 174.62 174.18 3km4 s TRP 313 N -0.67 3.24 -0.12 9.09 0.52 -1.01 -4.39 118.94 125.60 3km4 s TRP 313 Ca 0.08 1.40 0.01 0.00 0.02 0.00 0.00 56.10 57.61 3km4 s TRP 313 Cb -0.02 -2.85 0.02 0.00 -1.15 0.00 0.00 33.47 29.47 3km4 s TRP 313 CO -0.10 -1.07 -0.15 0.00 0.02 0.00 0.00 176.95 175.64 3km4 s ALA 314 N -3.03 1.75 -0.65 0.98 0.00 -0.42 -0.35 121.76 120.04 3km4 s ALA 314 Ca 0.58 -0.78 -0.18 0.00 0.00 0.00 0.00 51.96 51.58 3km4 s ALA 314 Cb -0.13 -0.89 0.12 0.00 0.00 0.00 0.00 23.12 22.22 3km4 s ALA 314 CO 0.53 -0.15 0.72 -0.51 0.00 0.00 0.00 175.76 176.35 3km4 s LEU 315 N 1.11 5.64 0.00 0.00 1.43 0.19 -1.61 118.68 125.44 3km4 s LEU 315 Ca -0.04 -1.70 0.00 0.00 -1.03 0.00 0.00 54.13 51.37 3km4 s LEU 315 Cb -0.14 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.79 3km4 s LEU 315 CO -0.04 -1.01 0.00 0.61 0.23 0.00 0.00 176.35 176.14 3km4 n GLY 316 N 5.13 1.59 0.28 -3.19 0.00 -1.16 -1.90 105.19 105.94 3km4 n GLY 316 Ca -0.04 -1.76 0.03 0.00 0.00 0.00 0.00 46.02 44.25 3km4 n GLY 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3km4 h ALA 317 N -1.32 1.59 -0.86 4.61 0.00 -1.11 0.35 119.26 122.52 3km4 h ALA 317 Ca 0.00 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 54.94 3km4 h ALA 317 Cb 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.57 3km4 h ALA 317 CO 0.00 0.32 0.45 1.15 0.00 0.00 0.00 179.25 181.17 3km4 h THR 318 N 0.43 0.75 0.20 0.00 2.02 -1.78 -0.05 112.91 114.48 3km4 h THR 318 Ca 0.11 -0.22 -0.34 0.00 0.77 0.00 0.00 66.41 66.72 3km4 h THR 318 Cb 0.15 0.04 0.02 0.00 -1.74 0.00 0.00 68.15 66.61 3km4 h THR 318 CO -0.01 0.12 -1.62 0.15 0.37 0.00 0.00 175.52 174.54 3km4 h PHE 319 N 0.66 0.75 0.00 3.16 3.57 -1.43 -3.35 116.94 120.30 3km4 h PHE 319 Ca 0.46 -0.55 -0.09 0.00 3.53 0.00 0.00 57.97 61.32 3km4 h PHE 319 Cb 0.63 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3km4 h PHE 319 CO -0.08 1.58 -0.42 0.82 -2.23 0.00 0.00 178.31 177.97 3km4 h ILE 320 N 0.11 1.03 -0.80 1.41 2.04 -0.58 -2.17 117.51 118.54 3km4 h ILE 320 Ca -0.29 -1.62 0.06 0.00 1.00 0.00 0.00 64.86 64.00 3km4 h ILE 320 Cb 2.11 1.95 -0.06 0.00 -0.74 0.00 0.00 36.82 40.08 3km4 h ILE 320 CO 0.21 0.42 0.49 0.03 0.00 0.00 0.00 178.15 179.30 3km4 h ARG 321 N 0.00 0.89 -0.00 2.37 3.08 -1.15 -2.45 114.38 117.12 3km4 h ARG 321 Ca -0.00 -0.05 -0.25 0.00 0.07 0.00 0.00 59.98 59.74 3km4 h ARG 321 Cb 0.91 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.78 3km4 h ARG 321 CO 0.06 0.59 -1.00 -0.22 -1.07 0.00 0.00 179.97 178.32 3km4 h LYS 322 N 0.91 0.58 -4.66 0.04 3.64 -1.66 -3.43 116.57 111.98 3km4 h LYS 322 Ca 0.35 -0.62 -0.68 0.00 -1.27 0.00 0.00 60.65 58.43 3km4 h LYS 322 Cb 0.14 0.17 -0.36 0.00 -0.41 0.00 0.00 32.23 31.77 3km4 h LYS 322 CO -0.16 1.23 -0.67 -0.06 -2.27 0.00 0.00 179.45 177.52 3km4 s PHE 323 N -3.30 3.54 0.20 1.91 0.08 -0.85 0.72 117.98 120.28 3km4 s PHE 323 Ca -0.08 -2.48 -0.32 0.00 0.12 0.00 0.00 56.93 54.17 3km4 s PHE 323 Cb 0.08 -2.72 -0.14 0.00 -0.57 0.00 0.00 43.02 39.66 3km4 s PHE 323 CO 0.90 -0.92 1.31 0.98 -0.10 0.00 0.00 175.22 177.40 3km4 n TYR 324 N 4.47 1.79 -4.18 0.36 9.36 0.20 -4.50 117.16 124.66 3km4 n TYR 324 Ca -0.04 0.53 -0.29 0.00 3.32 0.00 0.00 57.90 61.42 3km4 n TYR 324 Cb 0.42 -2.39 -0.17 0.00 -0.63 0.00 0.00 39.34 36.58 3km4 n TYR 324 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3km4 s THR 325 N -0.05 1.48 -0.18 2.97 2.01 -1.06 -1.36 115.64 119.45 3km4 s THR 325 Ca 0.71 -0.60 -0.05 0.00 0.31 0.00 0.00 61.69 62.07 3km4 s THR 325 Cb -0.74 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 3km4 s THR 325 CO 0.50 0.44 -0.01 -0.70 -0.69 0.00 0.00 174.62 174.17 3km4 s GLU 326 N 1.31 3.68 -0.24 4.92 2.12 0.12 -1.65 118.70 128.96 3km4 s GLU 326 Ca 0.00 -0.50 -0.05 0.00 0.36 0.00 0.00 54.97 54.79 3km4 s GLU 326 Cb -0.14 -3.04 -0.00 0.00 0.26 0.00 0.00 34.13 31.21 3km4 s GLU 326 CO -0.07 0.13 -0.00 -0.06 -0.54 0.00 0.00 175.26 174.72 3km4 s PHE 327 N 0.70 3.03 -0.30 5.30 0.08 -0.23 0.00 117.98 126.56 3km4 s PHE 327 Ca -0.00 -0.93 0.01 0.00 0.12 0.00 0.00 56.93 56.13 3km4 s PHE 327 Cb -0.14 -2.15 0.07 0.00 -0.57 0.00 0.00 43.02 40.22 3km4 s PHE 327 CO 0.02 -0.54 -0.02 0.34 -0.10 0.00 0.00 175.22 174.92 3km4 s ASP 328 N 1.49 4.71 0.19 1.36 -1.08 -0.15 -1.35 116.67 121.84 3km4 s ASP 328 Ca 0.05 -1.55 0.06 0.00 -0.52 0.00 0.00 52.55 50.58 3km4 s ASP 328 Cb -0.15 -1.64 0.09 0.00 -1.46 0.00 0.00 42.92 39.76 3km4 s ASP 328 CO -0.01 -0.28 1.45 0.03 0.52 0.00 0.00 175.17 176.88 3km4 h ARG 329 N 7.83 0.12 -0.07 4.34 2.47 -0.95 -1.40 114.38 126.73 3km4 h ARG 329 Ca -0.16 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 58.43 3km4 h ARG 329 Cb 1.04 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.39 3km4 h ARG 329 CO 0.51 0.85 0.02 -0.09 0.56 0.00 0.00 179.97 181.83 3km4 h ARG 330 N 0.07 0.11 -0.45 0.04 2.43 -1.91 -3.27 114.38 111.40 3km4 h ARG 330 Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3km4 h ARG 330 Cb 1.39 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 3km4 h ARG 330 CO 0.11 0.26 0.00 0.09 -1.51 0.00 0.00 179.97 178.93 3km4 n ASN 331 N -4.93 3.42 -3.71 -3.80 5.03 -1.25 -4.99 115.26 105.02 3km4 n ASN 331 Ca -0.06 -1.96 -0.27 0.00 0.87 0.00 0.00 54.58 53.16 3km4 n ASN 331 Cb 0.12 -0.29 0.03 0.00 -1.02 0.00 0.00 39.78 38.62 3km4 n ASN 331 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3km4 n ASN 332 N 1.34 -3.43 -4.07 6.41 5.03 -0.57 -4.88 115.26 115.08 3km4 n ASN 332 Ca 0.19 -0.95 -0.10 0.00 0.87 0.00 0.00 54.58 54.59 3km4 n ASN 332 Cb 0.56 -3.58 -0.09 0.00 -1.02 0.00 0.00 39.78 35.65 3km4 n ASN 332 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3km4 s ARG 333 N -5.99 1.03 -0.07 3.52 1.70 -0.94 -1.68 118.95 116.52 3km4 s ARG 333 Ca 0.27 -1.34 0.04 0.00 -0.47 0.00 0.00 55.73 54.23 3km4 s ARG 333 Cb -0.09 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.59 3km4 s ARG 333 CO 0.85 -0.33 -0.18 0.42 -1.08 0.00 0.00 175.30 174.97 3km4 s ILE 334 N -4.02 1.60 -0.06 4.99 1.01 -0.46 -0.98 121.20 123.28 3km4 s ILE 334 Ca 0.22 -0.77 -0.03 0.00 0.00 0.00 0.00 60.65 60.07 3km4 s ILE 334 Cb 0.06 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 3km4 s ILE 334 CO 0.01 0.46 0.08 -0.83 0.00 0.00 0.00 174.94 174.66 3km4 s GLY 335 N 0.33 2.02 -0.06 6.18 0.00 0.10 -1.18 107.32 114.70 3km4 s GLY 335 Ca -0.12 -0.78 0.06 0.00 0.00 0.00 0.00 44.72 43.87 3km4 s GLY 335 CO 0.05 -0.58 -0.25 -1.36 0.00 0.00 0.00 173.10 170.96 3km4 s PHE 336 N -1.06 2.43 0.17 1.90 0.08 -0.33 0.12 117.98 121.29 3km4 s PHE 336 Ca 0.18 -0.75 0.02 0.00 0.12 0.00 0.00 56.93 56.50 3km4 s PHE 336 Cb -0.12 -1.60 -0.05 0.00 -0.57 0.00 0.00 43.02 40.69 3km4 s PHE 336 CO 0.08 -0.24 -0.01 0.00 -0.10 0.00 0.00 175.22 174.95 3km4 s ALA 337 N -0.11 1.38 -0.09 5.36 0.00 -0.47 -1.37 121.76 126.47 3km4 s ALA 337 Ca -0.05 -1.59 -0.30 0.00 0.00 0.00 0.00 51.96 50.02 3km4 s ALA 337 Cb -0.14 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 3km4 s ALA 337 CO 0.04 -0.30 1.15 -1.17 0.00 0.00 0.00 175.76 175.49 3km4 s LEU 338 N -3.18 4.25 0.62 0.00 2.96 -1.25 -0.62 118.68 121.45 3km4 s LEU 338 Ca 0.23 1.70 -0.16 0.00 -0.22 0.00 0.00 54.13 55.68 3km4 s LEU 338 Cb 0.06 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.17 3km4 s LEU 338 CO 0.04 -0.58 1.11 0.00 -1.32 0.00 0.00 176.35 175.60 3km4 s ALA 339 N 2.38 2.55 0.00 5.97 0.00 0.22 -1.28 121.76 131.61 3km4 s ALA 339 Ca 0.53 0.63 0.00 0.00 0.00 0.00 0.00 51.96 53.12 3km4 s ALA 339 Cb -0.22 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3km4 s ALA 339 CO 0.19 -1.09 0.00 2.89 0.00 0.00 0.00 175.76 177.75