#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2by3 s PHE 15 N 0.00 2.95 -0.15 7.33 5.36 -1.26 -5.01 117.98 127.21 2by3 s PHE 15 Ca 0.00 0.44 -0.00 0.00 -0.96 0.00 0.00 56.93 56.41 2by3 s PHE 15 Cb 0.00 -4.07 -0.01 0.00 -0.34 0.00 0.00 43.02 38.60 2by3 s PHE 15 CO 0.00 -4.02 -0.13 -0.65 -1.46 0.00 0.00 175.22 168.96 2by3 s GLN 16 N 1.13 3.31 0.43 10.12 -0.21 -1.26 -5.07 119.66 128.12 2by3 s GLN 16 Ca 0.73 -0.70 -0.23 0.00 0.02 0.00 0.00 55.36 55.17 2by3 s GLN 16 Cb -0.48 -2.68 -0.11 0.00 1.00 0.00 0.00 33.01 30.75 2by3 s GLN 16 CO 0.32 0.07 0.85 -2.37 -2.12 0.00 0.00 175.29 172.05 2by3 n THR 17 N 3.93 2.34 1.43 -0.19 5.66 -1.26 -4.88 114.28 121.30 2by3 n THR 17 Ca -0.19 -0.50 0.08 0.00 -3.05 0.00 0.00 64.05 60.40 2by3 n THR 17 Cb 0.52 -0.95 0.33 0.00 -1.55 0.00 0.00 70.33 68.69 2by3 n THR 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2by3 n GLN 18 N 0.19 1.49 -4.57 1.09 6.02 -1.26 -4.88 117.38 115.46 2by3 n GLN 18 Ca 0.11 -0.74 -0.33 0.00 -0.01 0.00 0.00 57.00 56.02 2by3 n GLN 18 Cb 0.40 -1.30 -0.13 0.00 1.02 0.00 0.00 30.24 30.23 2by3 n GLN 18 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2by3 s HIS 19 N -1.81 2.93 -0.06 1.08 3.76 -1.26 -5.08 115.29 114.84 2by3 s HIS 19 Ca 0.26 -0.43 -0.00 0.00 -0.15 0.00 0.00 55.06 54.73 2by3 s HIS 19 Cb 0.13 -1.90 0.02 0.00 1.11 0.00 0.00 32.58 31.95 2by3 s HIS 19 CO 0.20 -0.10 -0.03 0.34 -0.85 0.00 0.00 174.74 174.31 2by3 s ASP 20 N 0.31 1.32 0.48 1.40 -1.08 -1.26 -5.03 116.67 112.80 2by3 s ASP 20 Ca -0.07 -0.13 0.21 0.00 -0.52 0.00 0.00 52.55 52.05 2by3 s ASP 20 Cb -0.15 -0.48 1.23 0.00 -1.46 0.00 0.00 42.92 42.06 2by3 s ASP 20 CO 0.04 -0.12 1.96 -0.65 0.52 0.00 0.00 175.17 176.92 2by3 h PRO 21 N 7.74 0.20 0.00 4.34 0.11 -1.98 -0.18 132.00 142.22 2by3 h PRO 21 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2by3 h PRO 21 Cb 1.14 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2by3 h PRO 21 CO 0.38 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 178.30 2by3 h ARG 22 N 0.21 0.00 -0.12 1.05 3.08 -2.01 -2.84 114.38 113.76 2by3 h ARG 22 Ca 0.31 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 2by3 h ARG 22 Cb 0.95 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 2by3 h ARG 22 CO -0.06 0.00 -0.03 0.25 -1.07 0.00 0.00 179.97 179.06 2by3 n THR 23 N -2.49 2.09 -2.12 2.04 -2.24 -0.11 -5.04 114.28 106.41 2by3 n THR 23 Ca 0.02 -2.20 -0.42 0.00 -2.27 0.00 0.00 64.05 59.19 2by3 n THR 23 Cb 0.30 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 2by3 n THR 23 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2by3 s ARG 24 N -2.90 4.31 0.49 -0.78 3.52 -1.06 -4.92 118.95 117.61 2by3 s ARG 24 Ca 0.37 2.14 -0.21 0.00 -0.13 0.00 0.00 55.73 57.90 2by3 s ARG 24 Cb 0.31 -3.21 -0.07 0.00 -1.56 0.00 0.00 34.95 30.42 2by3 s ARG 24 CO 0.05 -0.43 1.11 -0.51 -0.81 0.00 0.00 175.30 174.70 2by3 s LEU 25 N 0.77 3.88 0.00 -0.88 1.43 -1.26 -4.58 118.68 118.04 2by3 s LEU 25 Ca 0.64 2.14 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 2by3 s LEU 25 Cb -0.38 -4.44 0.00 0.00 0.03 0.00 0.00 46.19 41.39 2by3 s LEU 25 CO 0.33 -0.96 0.00 0.61 0.23 0.00 0.00 176.35 176.56 2by3 n GLY 26 N 0.16 0.55 3.11 -3.19 0.00 0.09 -4.92 105.19 100.99 2by3 n GLY 26 Ca 0.09 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 2by3 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2by3 s ALA 27 N -2.00 2.33 -0.10 4.61 0.00 -1.26 -0.71 121.76 124.63 2by3 s ALA 27 Ca 0.00 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.74 2by3 s ALA 27 Cb 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.93 2by3 s ALA 27 CO 0.00 -0.40 -0.17 0.99 0.00 0.00 0.00 175.76 176.18 2by3 s THR 28 N 1.29 1.60 0.32 0.00 2.01 0.00 -4.70 115.64 116.17 2by3 s THR 28 Ca 0.04 -0.73 -0.29 0.00 0.31 0.00 0.00 61.69 61.03 2by3 s THR 28 Cb -0.13 -1.43 -0.12 0.00 0.01 0.00 0.00 72.50 70.82 2by3 s THR 28 CO -0.12 0.46 1.31 -2.65 -0.69 0.00 0.00 174.62 172.92 2by3 n PRO 29 N 3.92 2.10 -3.05 4.92 -0.02 -1.26 -0.71 135.00 140.91 2by3 n PRO 29 Ca -0.20 0.74 -0.28 0.00 -2.02 0.00 0.00 63.50 61.74 2by3 n PRO 29 Cb 0.52 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 2by3 n PRO 29 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2by3 s LEU 30 N -0.80 3.89 0.85 2.45 1.43 0.33 -4.80 118.68 122.02 2by3 s LEU 30 Ca 0.57 0.85 -0.11 0.00 -1.03 0.00 0.00 54.13 54.42 2by3 s LEU 30 Cb -0.58 -3.73 0.10 0.00 0.03 0.00 0.00 46.19 42.01 2by3 s LEU 30 CO 0.60 -0.35 1.09 -2.16 0.23 0.00 0.00 176.35 175.76 2by3 s PRO 31 N -3.98 1.65 -1.60 1.29 0.04 -1.26 -3.87 135.00 127.26 2by3 s PRO 31 Ca 0.46 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.53 2by3 s PRO 31 Cb -0.10 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2by3 s PRO 31 CO 0.34 -2.03 0.00 0.41 0.04 0.00 0.00 177.00 175.76 2by3 n GLY 32 N -1.04 0.58 2.50 0.56 0.00 -1.26 -2.41 105.19 104.12 2by3 n GLY 32 Ca 0.08 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 2by3 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2by3 n GLY 33 N -0.96 1.67 0.12 -0.02 0.00 -1.25 -4.88 105.19 99.86 2by3 n GLY 33 Ca -0.19 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.75 2by3 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2by3 n ALA 34 N 1.31 1.74 0.00 4.61 0.00 -1.01 -5.02 120.51 122.14 2by3 n ALA 34 Ca -0.17 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2by3 n ALA 34 Cb 0.56 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2by3 n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2by3 n GLY 35 N 0.16 0.19 2.94 0.00 0.00 -1.26 -3.90 105.19 103.33 2by3 n GLY 35 Ca 0.03 -1.45 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 2by3 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2by3 s THR 36 N -0.16 0.31 -0.21 2.61 2.01 0.41 -0.52 115.64 120.10 2by3 s THR 36 Ca 0.00 -0.25 -0.07 0.00 0.31 0.00 0.00 61.69 61.67 2by3 s THR 36 Cb 0.00 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 2by3 s THR 36 CO 0.00 0.03 0.06 -0.60 -0.69 0.00 0.00 174.62 173.43 2by3 s ARG 37 N -0.24 3.86 -0.14 4.92 3.52 0.12 -1.24 118.95 129.75 2by3 s ARG 37 Ca 0.00 -0.39 -0.04 0.00 -0.13 0.00 0.00 55.73 55.16 2by3 s ARG 37 Cb -0.02 -3.25 -0.03 0.00 -1.56 0.00 0.00 34.95 30.08 2by3 s ARG 37 CO -0.00 0.11 0.01 -0.06 -0.81 0.00 0.00 175.30 174.55 2by3 s PHE 38 N 0.81 3.16 -0.03 5.12 0.08 0.48 -0.82 117.98 126.79 2by3 s PHE 38 Ca 0.03 0.02 -0.04 0.00 0.12 0.00 0.00 56.93 57.06 2by3 s PHE 38 Cb -0.14 -1.93 0.01 0.00 -0.57 0.00 0.00 43.02 40.39 2by3 s PHE 38 CO 0.02 0.24 0.10 1.03 -0.10 0.00 0.00 175.22 176.51 2by3 s ARG 39 N -0.15 0.23 0.15 0.44 0.52 0.11 -0.99 118.95 119.27 2by3 s ARG 39 Ca 0.05 -0.05 -0.11 0.00 -0.52 0.00 0.00 55.73 55.09 2by3 s ARG 39 Cb -0.12 0.10 0.00 0.00 0.52 0.00 0.00 34.95 35.45 2by3 s ARG 39 CO 0.02 -0.04 0.33 -0.48 0.02 0.00 0.00 175.30 175.15 2by3 s LEU 40 N -0.43 0.79 -0.09 2.53 0.05 -0.40 -0.73 118.68 120.40 2by3 s LEU 40 Ca -0.05 -0.69 0.04 0.00 0.05 0.00 0.00 54.13 53.47 2by3 s LEU 40 Cb -0.03 1.43 -0.01 0.00 -2.05 0.00 0.00 46.19 45.53 2by3 s LEU 40 CO 0.00 -0.90 -0.22 0.86 -0.55 0.00 0.00 176.35 175.55 2by3 s TRP 41 N -3.91 2.57 -0.03 3.48 -0.00 -1.26 -0.99 118.94 118.81 2by3 s TRP 41 Ca 0.12 -0.86 -0.02 0.00 -0.00 0.00 0.00 56.10 55.34 2by3 s TRP 41 Cb 0.02 -1.70 0.01 0.00 -0.00 0.00 0.00 33.47 31.81 2by3 s TRP 41 CO -0.04 -0.31 0.06 -0.08 -0.00 0.00 0.00 176.95 176.59 2by3 s THR 42 N 0.16 -0.01 -0.82 5.86 -1.32 0.21 -4.60 115.64 115.11 2by3 s THR 42 Ca -0.12 0.04 0.22 0.00 -1.21 0.00 0.00 61.69 60.62 2by3 s THR 42 Cb -0.16 -0.10 -0.17 0.00 -1.51 0.00 0.00 72.50 70.56 2by3 s THR 42 CO 0.07 0.02 0.99 -1.54 -2.21 0.00 0.00 174.62 171.94 2by3 n SER 43 N 3.28 0.73 0.00 8.08 3.41 -0.50 -4.38 113.62 124.24 2by3 n SER 43 Ca -0.15 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 2by3 n SER 43 Cb 0.58 0.90 0.00 0.00 -0.26 0.00 0.00 64.21 65.42 2by3 n SER 43 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2by3 n THR 44 N -1.67 0.00 -2.20 6.66 -2.24 -1.25 -5.07 114.28 108.51 2by3 n THR 44 Ca 0.03 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.41 2by3 n THR 44 Cb 0.38 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.88 2by3 n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2by3 s ALA 45 N -1.37 3.46 -0.17 6.98 0.00 -1.26 -4.96 121.76 124.44 2by3 s ALA 45 Ca 0.00 1.16 0.15 0.00 0.00 0.00 0.00 51.96 53.28 2by3 s ALA 45 Cb 0.00 -3.44 -0.24 0.00 0.00 0.00 0.00 23.12 19.44 2by3 s ALA 45 CO 0.00 -0.53 0.19 0.54 0.00 0.00 0.00 175.76 175.96 2by3 n ARG 46 N 0.85 0.68 -4.68 0.00 1.74 -1.26 -4.92 116.66 109.06 2by3 n ARG 46 Ca -0.00 0.07 -0.24 0.00 -0.77 0.00 0.00 57.85 56.91 2by3 n ARG 46 Cb 0.43 -1.59 -0.14 0.00 -1.02 0.00 0.00 32.46 30.14 2by3 n ARG 46 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2by3 s THR 47 N -2.52 1.46 -0.07 0.55 -4.23 -1.26 -5.01 115.64 104.57 2by3 s THR 47 Ca -0.11 -0.98 -0.03 0.00 -1.18 0.00 0.00 61.69 59.39 2by3 s THR 47 Cb 0.07 -1.26 0.04 0.00 1.34 0.00 0.00 72.50 72.69 2by3 s THR 47 CO 0.81 0.25 0.15 -0.69 -0.54 0.00 0.00 174.62 174.60 2by3 s VAL 48 N -0.65 -0.12 0.07 2.29 1.01 -1.26 -1.21 120.40 120.53 2by3 s VAL 48 Ca 0.06 0.24 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 2by3 s VAL 48 Cb -0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 2by3 s VAL 48 CO 0.01 0.10 0.04 0.00 0.00 0.00 0.00 175.10 175.25 2by3 s ALA 49 N 1.55 0.37 -0.08 5.51 0.00 -0.63 -4.61 121.76 123.87 2by3 s ALA 49 Ca -0.05 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 50.84 2by3 s ALA 49 Cb -0.12 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 2by3 s ALA 49 CO -0.06 -0.43 -0.15 0.54 0.00 0.00 0.00 175.76 175.67 2by3 s VAL 50 N -3.92 2.96 -0.37 0.00 0.11 -0.04 -0.29 120.40 118.86 2by3 s VAL 50 Ca 0.09 -0.73 -0.11 0.00 -2.93 0.00 0.00 61.98 58.30 2by3 s VAL 50 Cb 0.07 -2.19 0.02 0.00 -1.53 0.00 0.00 36.38 32.76 2by3 s VAL 50 CO -0.08 0.56 0.20 -0.60 -3.33 0.00 0.00 175.10 171.85 2by3 s ARG 51 N -0.28 2.89 -0.18 1.54 3.52 0.36 -0.39 118.95 126.40 2by3 s ARG 51 Ca 0.02 -1.04 -0.02 0.00 -0.13 0.00 0.00 55.73 54.56 2by3 s ARG 51 Cb -0.13 -3.71 -0.01 0.00 -1.56 0.00 0.00 34.95 29.54 2by3 s ARG 51 CO 0.03 -0.67 -0.08 0.08 -0.81 0.00 0.00 175.30 173.85 2by3 s VAL 52 N 1.56 3.23 -1.43 7.11 1.01 0.26 -1.96 120.40 130.17 2by3 s VAL 52 Ca 0.02 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 2by3 s VAL 52 Cb -0.19 -2.42 0.09 0.00 0.00 0.00 0.00 36.38 33.86 2by3 s VAL 52 CO 0.07 0.48 0.67 0.59 0.00 0.00 0.00 175.10 176.90 2by3 n ASN 53 N 4.18 -4.09 0.00 3.32 3.02 0.10 -1.67 115.26 120.12 2by3 n ASN 53 Ca -0.18 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 2by3 n ASN 53 Cb 0.52 -3.34 0.00 0.00 -0.61 0.00 0.00 39.78 36.35 2by3 n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2by3 n GLY 54 N -1.36 1.89 3.54 7.41 0.00 -1.26 -5.05 105.19 110.37 2by3 n GLY 54 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2by3 n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2by3 s THR 55 N -2.35 4.21 -0.07 2.61 2.01 -0.67 -5.06 115.64 116.32 2by3 s THR 55 Ca 0.00 -0.24 -0.22 0.00 0.31 0.00 0.00 61.69 61.54 2by3 s THR 55 Cb 0.00 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 2by3 s THR 55 CO 0.00 0.48 0.64 -1.61 -0.69 0.00 0.00 174.62 173.44 2by3 s GLU 56 N 0.42 4.41 -0.11 4.92 2.02 -1.26 -0.58 118.70 128.52 2by3 s GLU 56 Ca -0.01 0.77 0.02 0.00 0.02 0.00 0.00 54.97 55.77 2by3 s GLU 56 Cb -0.14 -3.44 0.01 0.00 0.10 0.00 0.00 34.13 30.67 2by3 s GLU 56 CO 0.02 0.11 -0.16 -1.01 0.02 0.00 0.00 175.26 174.24 2by3 s HIS 57 N 0.69 2.01 0.00 1.61 3.76 0.47 -4.96 115.29 118.87 2by3 s HIS 57 Ca 0.34 -0.94 0.00 0.00 -0.15 0.00 0.00 55.06 54.31 2by3 s HIS 57 Cb -0.17 -1.44 0.00 0.00 1.11 0.00 0.00 32.58 32.08 2by3 s HIS 57 CO 0.16 -0.48 0.00 0.28 -0.85 0.00 0.00 174.74 173.85 2by3 n VAL 58 N 4.17 0.00 -4.79 -0.90 0.31 -1.26 -0.86 118.33 115.01 2by3 n VAL 58 Ca -0.19 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.87 2by3 n VAL 58 Cb 0.51 -0.56 -0.17 0.00 -0.91 0.00 0.00 33.84 32.71 2by3 n VAL 58 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2by3 s THR 60 N -0.60 1.42 -0.13 2.52 2.01 -0.00 -4.88 115.64 115.97 2by3 s THR 60 Ca 0.00 -0.66 -0.28 0.00 0.31 0.00 0.00 61.69 61.07 2by3 s THR 60 Cb 0.00 -1.25 -0.01 0.00 0.01 0.00 0.00 72.50 71.24 2by3 s THR 60 CO 0.00 0.42 0.93 -0.55 -0.69 0.00 0.00 174.62 174.72 2by3 s SER 61 N 0.46 7.12 -0.00 3.53 0.15 -1.26 -1.08 113.70 122.62 2by3 s SER 61 Ca -0.14 1.37 0.17 0.00 0.70 0.00 0.00 55.95 58.06 2by3 s SER 61 Cb -0.15 -2.51 -0.20 0.00 -1.71 0.00 0.00 66.02 61.44 2by3 s SER 61 CO 0.05 -0.42 0.69 0.18 1.20 0.00 0.00 173.24 174.93 2by3 n LEU 62 N 5.08 0.70 0.00 3.45 4.77 0.23 -5.01 117.00 126.22 2by3 n LEU 62 Ca 0.07 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 2by3 n LEU 62 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2by3 n LEU 62 CO 0.50 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 2by3 n GLY 63 N 1.42 2.35 2.33 -0.72 0.00 -1.25 -4.93 105.19 104.39 2by3 n GLY 63 Ca 0.02 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 2by3 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2by3 n GLY 64 N 1.63 1.25 2.35 -0.02 0.00 -1.26 -2.27 105.19 106.87 2by3 n GLY 64 Ca 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 46.02 45.50 2by3 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2by3 n GLY 65 N -1.59 0.43 3.77 -0.02 0.00 -1.26 -4.82 105.19 101.70 2by3 n GLY 65 Ca -0.11 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 2by3 n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2by3 s ILE 66 N -1.74 4.94 0.01 -0.61 -1.09 -0.96 -0.62 121.20 121.13 2by3 s ILE 66 Ca 0.00 1.13 0.05 0.00 -2.23 0.00 0.00 60.65 59.61 2by3 s ILE 66 Cb 0.00 -3.88 -0.02 0.00 -1.58 0.00 0.00 42.46 36.99 2by3 s ILE 66 CO 0.00 0.45 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.68 2by3 s TYR 67 N -0.33 1.49 0.01 3.97 2.02 -0.16 -0.60 117.35 123.75 2by3 s TYR 67 Ca 0.29 -0.31 -0.04 0.00 -0.37 0.00 0.00 57.07 56.63 2by3 s TYR 67 Cb -0.18 -0.92 -0.01 0.00 -0.40 0.00 0.00 41.96 40.45 2by3 s TYR 67 CO 0.16 0.01 0.06 -2.00 -1.57 0.00 0.00 175.55 172.22 2by3 s GLU 68 N -0.72 0.41 -0.18 -0.62 2.12 -0.24 -1.27 118.70 118.20 2by3 s GLU 68 Ca 0.06 -0.51 -0.20 0.00 0.36 0.00 0.00 54.97 54.68 2by3 s GLU 68 Cb -0.07 0.16 0.05 0.00 0.26 0.00 0.00 34.13 34.53 2by3 s GLU 68 CO 0.00 -0.09 0.54 -1.17 -0.54 0.00 0.00 175.26 174.00 2by3 s LEU 69 N -1.45 -0.07 -0.15 2.70 2.96 -0.16 -0.82 118.68 121.69 2by3 s LEU 69 Ca -0.15 1.00 -0.03 0.00 -0.22 0.00 0.00 54.13 54.72 2by3 s LEU 69 Cb -0.08 1.89 -0.03 0.00 0.50 0.00 0.00 46.19 48.46 2by3 s LEU 69 CO 0.00 -0.24 -0.05 -1.61 -1.32 0.00 0.00 176.35 173.13 2by3 s GLU 70 N 0.05 3.64 0.08 1.98 2.02 -1.26 -0.39 118.70 124.83 2by3 s GLU 70 Ca -0.02 -0.54 0.04 0.00 0.02 0.00 0.00 54.97 54.47 2by3 s GLU 70 Cb -0.04 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 31.27 2by3 s GLU 70 CO 0.02 0.24 -0.10 -0.51 0.02 0.00 0.00 175.26 174.93 2by3 s LEU 71 N 0.36 2.37 0.00 1.80 1.43 -0.37 -4.99 118.68 119.27 2by3 s LEU 71 Ca -0.05 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 2by3 s LEU 71 Cb -0.14 -0.30 0.00 0.00 0.03 0.00 0.00 46.19 45.77 2by3 s LEU 71 CO 0.03 -0.24 0.71 -2.65 0.23 0.00 0.00 176.35 174.44 2by3 n PRO 72 N 0.78 0.72 -3.41 1.29 -0.02 -1.25 -0.44 135.00 132.66 2by3 n PRO 72 Ca -0.18 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 60.99 2by3 n PRO 72 Cb 0.57 -1.14 -0.05 0.00 -0.02 0.00 0.00 33.50 32.86 2by3 n PRO 72 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2by3 s VAL 73 N 0.27 4.97 0.35 -1.45 -7.23 -1.26 -4.69 120.40 111.35 2by3 s VAL 73 Ca 0.00 0.35 0.02 0.00 -1.81 0.00 0.00 61.98 60.54 2by3 s VAL 73 Cb 0.00 -3.64 0.02 0.00 0.56 0.00 0.00 36.38 33.32 2by3 s VAL 73 CO 0.00 -0.12 0.20 0.61 -0.31 0.00 0.00 175.10 175.47 2by3 n GLY 74 N -0.31 3.10 3.63 2.32 0.00 -1.26 -2.13 105.19 110.54 2by3 n GLY 74 Ca -0.00 -2.27 -0.46 0.00 0.00 0.00 0.00 46.02 43.28 2by3 n GLY 74 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2by3 n PRO 75 N -1.20 1.64 0.00 1.61 -0.02 -1.26 -1.30 135.00 134.47 2by3 n PRO 75 Ca -0.05 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2by3 n PRO 75 Cb 0.41 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2by3 n PRO 75 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2by3 n GLY 76 N 2.04 3.11 3.75 -1.23 0.00 -0.13 -4.97 105.19 107.76 2by3 n GLY 76 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2by3 n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2by3 s ALA 77 N -2.78 2.87 -0.11 4.61 0.00 -0.42 -4.67 121.76 121.26 2by3 s ALA 77 Ca 0.00 1.38 -0.02 0.00 0.00 0.00 0.00 51.96 53.31 2by3 s ALA 77 Cb 0.00 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 2by3 s ALA 77 CO 0.00 -1.39 -0.02 1.03 0.00 0.00 0.00 175.76 175.38 2by3 s ARG 78 N -2.85 3.19 0.17 0.00 1.81 -1.26 -0.88 118.95 119.12 2by3 s ARG 78 Ca 0.70 -0.46 -0.16 0.00 -1.72 0.00 0.00 55.73 54.09 2by3 s ARG 78 Cb -0.42 -2.81 0.03 0.00 -0.45 0.00 0.00 34.95 31.30 2by3 s ARG 78 CO 0.50 0.54 0.46 1.52 -0.68 0.00 0.00 175.30 177.64 2by3 s TYR 79 N -0.45 -0.10 0.32 -0.53 -0.85 -0.01 0.02 117.35 115.76 2by3 s TYR 79 Ca 0.08 -0.24 -0.09 0.00 -0.52 0.00 0.00 57.07 56.30 2by3 s TYR 79 Cb -0.12 0.31 0.01 0.00 0.38 0.00 0.00 41.96 42.54 2by3 s TYR 79 CO 0.02 -0.83 0.56 -0.48 -1.52 0.00 0.00 175.55 173.30 2by3 s LEU 80 N -2.86 0.55 0.19 -3.49 0.05 -0.83 -0.02 118.68 112.27 2by3 s LEU 80 Ca 0.08 -1.23 0.06 0.00 0.05 0.00 0.00 54.13 53.09 2by3 s LEU 80 Cb 0.00 1.91 -0.04 0.00 -2.05 0.00 0.00 46.19 46.02 2by3 s LEU 80 CO -0.05 -1.35 0.14 -0.36 -0.55 0.00 0.00 176.35 174.17 2by3 s PHE 81 N -3.17 3.10 -0.24 3.48 0.08 -0.67 -0.49 117.98 120.07 2by3 s PHE 81 Ca 0.24 -0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.24 2by3 s PHE 81 Cb -0.02 -1.46 0.06 0.00 -0.57 0.00 0.00 43.02 41.03 2by3 s PHE 81 CO 0.15 0.52 -0.06 0.08 -0.10 0.00 0.00 175.22 175.81 2by3 s VAL 82 N -1.87 1.61 -0.29 -0.44 1.01 0.60 0.45 120.40 121.46 2by3 s VAL 82 Ca 0.31 -1.29 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 2by3 s VAL 82 Cb -0.09 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.44 2by3 s VAL 82 CO 0.23 -0.10 0.07 -0.76 0.00 0.00 0.00 175.10 174.54 2by3 s LEU 83 N 1.36 3.83 -1.62 3.92 1.43 -0.65 -1.61 118.68 125.34 2by3 s LEU 83 Ca -0.06 -0.78 -0.15 0.00 -1.03 0.00 0.00 54.13 52.11 2by3 s LEU 83 Cb -0.19 -1.85 0.12 0.00 0.03 0.00 0.00 46.19 44.29 2by3 s LEU 83 CO -0.06 -0.20 0.83 0.47 0.23 0.00 0.00 176.35 177.62 2by3 n ASP 84 N 4.84 -3.61 0.00 2.29 8.00 -0.35 -0.85 116.55 126.87 2by3 n ASP 84 Ca -0.14 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.43 2by3 n ASP 84 Cb 0.47 -3.21 0.00 0.00 -0.02 0.00 0.00 41.12 38.37 2by3 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2by3 n GLY 85 N -1.55 1.43 3.56 0.44 0.00 -1.26 -5.02 105.19 102.80 2by3 n GLY 85 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2by3 n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2by3 s VAL 86 N -3.20 5.19 0.16 1.61 1.01 -0.03 -5.05 120.40 120.10 2by3 s VAL 86 Ca 0.00 0.17 -0.31 0.00 0.00 0.00 0.00 61.98 61.83 2by3 s VAL 86 Cb 0.00 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.53 2by3 s VAL 86 CO 0.00 0.01 1.62 -2.84 0.00 0.00 0.00 175.10 173.89 2by3 s PRO 87 N 1.98 4.19 -0.03 2.72 0.02 -1.26 -1.63 135.00 140.99 2by3 s PRO 87 Ca 0.12 2.41 -0.01 0.00 0.02 0.00 0.00 61.00 63.54 2by3 s PRO 87 Cb -0.16 -3.23 0.03 0.00 0.02 0.00 0.00 34.50 31.16 2by3 s PRO 87 CO 0.11 -0.66 0.04 0.99 -0.33 0.00 0.00 177.00 177.15 2by3 s THR 88 N 1.44 -0.02 0.86 0.99 2.01 0.17 -4.97 115.64 116.12 2by3 s THR 88 Ca 0.72 0.29 -0.13 0.00 0.31 0.00 0.00 61.69 62.88 2by3 s THR 88 Cb -0.44 -0.17 0.06 0.00 0.01 0.00 0.00 72.50 71.96 2by3 s THR 88 CO 0.32 0.15 0.83 -2.65 -0.69 0.00 0.00 174.62 172.58 2by3 n PRO 89 N 4.76 -0.07 -2.86 4.92 -0.02 -1.26 -1.66 135.00 138.80 2by3 n PRO 89 Ca -0.15 0.04 -0.42 0.00 -2.02 0.00 0.00 63.50 60.96 2by3 n PRO 89 Cb 0.50 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.80 2by3 n PRO 89 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2by3 s ASP 90 N -2.07 6.80 0.61 2.55 2.15 -1.26 -4.76 116.67 120.68 2by3 s ASP 90 Ca 0.66 0.93 0.37 0.00 0.43 0.00 0.00 52.55 54.93 2by3 s ASP 90 Cb -0.27 -2.45 1.97 0.00 -0.30 0.00 0.00 42.92 41.88 2by3 s ASP 90 CO 0.58 -0.61 2.23 -0.65 -0.17 0.00 0.00 175.17 176.56 2by3 h PRO 91 N 7.87 0.00 -0.50 4.34 0.11 -1.92 -1.05 132.00 140.85 2by3 h PRO 91 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2by3 h PRO 91 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2by3 h PRO 91 CO 0.90 0.02 0.00 0.66 -0.21 0.00 0.00 178.00 179.38 2by3 n TYR 92 N -3.32 0.71 -1.61 0.65 4.01 -1.26 -4.38 117.16 111.96 2by3 n TYR 92 Ca -0.02 -0.33 -0.48 0.00 -0.16 0.00 0.00 57.90 56.90 2by3 n TYR 92 Cb 0.15 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 39.10 2by3 n TYR 92 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2by3 n ALA 93 N 0.85 -0.09 0.50 -0.72 0.00 -0.40 -4.73 120.51 115.92 2by3 n ALA 93 Ca 0.16 0.46 0.12 0.00 0.00 0.00 0.00 53.44 54.18 2by3 n ALA 93 Cb 0.45 -2.14 0.15 0.00 0.00 0.00 0.00 19.45 17.91 2by3 n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2by3 h ARG 94 N 4.14 0.00 -2.00 0.00 2.47 -1.76 -3.05 114.38 114.18 2by3 h ARG 94 Ca -0.45 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.22 2by3 h ARG 94 Cb 1.31 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 29.44 2by3 h ARG 94 CO 0.75 0.00 0.18 0.12 0.56 0.00 0.00 179.97 181.58 2by3 s PHE 95 N -3.19 -0.69 -0.50 3.04 5.36 -1.26 -4.07 117.98 116.68 2by3 s PHE 95 Ca 0.05 1.30 0.05 0.00 -0.96 0.00 0.00 56.93 57.37 2by3 s PHE 95 Cb 0.13 0.38 0.18 0.00 -0.34 0.00 0.00 43.02 43.36 2by3 s PHE 95 CO 0.73 -0.56 0.40 1.28 -1.46 0.00 0.00 175.22 175.61 2by3 n LEU 96 N 1.30 0.59 0.28 6.12 4.77 -1.26 -1.05 117.00 127.74 2by3 n LEU 96 Ca -0.18 -4.64 0.15 0.00 -0.03 0.00 0.00 56.01 51.31 2by3 n LEU 96 Cb 0.57 0.17 0.81 0.00 -2.33 0.00 0.00 43.42 42.64 2by3 n LEU 96 CO 0.19 1.85 1.03 1.55 -1.33 0.00 0.00 177.39 180.68 2by3 h PRO 97 N 5.45 0.00 -0.37 3.23 0.13 -1.95 -1.41 132.00 137.08 2by3 h PRO 97 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 2by3 h PRO 97 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2by3 h PRO 97 CO 0.48 0.08 0.00 -0.25 -0.23 0.00 0.00 178.00 178.08 2by3 n ASP 98 N -3.58 4.54 0.00 1.44 8.00 -1.26 -4.98 116.55 120.71 2by3 n ASP 98 Ca -0.02 -2.98 0.00 0.00 0.71 0.00 0.00 54.79 52.50 2by3 n ASP 98 Cb 0.20 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 2by3 n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2by3 n GLY 99 N -0.10 -2.77 0.04 0.44 0.00 -0.53 -4.36 105.19 97.90 2by3 n GLY 99 Ca 0.24 -1.72 0.10 0.00 0.00 0.00 0.00 46.02 44.64 2by3 n GLY 99 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2by3 n VAL 100 N -0.51 0.72 0.34 1.61 0.24 -1.26 -1.93 118.33 117.53 2by3 n VAL 100 Ca 0.00 0.14 0.11 0.00 -2.04 0.00 0.00 64.34 62.55 2by3 n VAL 100 Cb 0.00 -0.90 0.18 0.00 -1.47 0.00 0.00 33.84 31.65 2by3 n VAL 100 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2by3 n HIS 101 N -1.76 0.40 -3.44 6.34 8.25 -1.26 -4.76 115.22 118.99 2by3 n HIS 101 Ca 0.04 -0.23 -0.18 0.00 -0.26 0.00 0.00 57.72 57.09 2by3 n HIS 101 Cb 0.24 -0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.38 2by3 n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2by3 n GLY 102 N 1.31 2.40 3.76 -1.41 0.00 -0.81 -4.82 105.19 105.61 2by3 n GLY 102 Ca 0.17 -2.24 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 2by3 n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2by3 s GLU 103 N -3.93 3.34 0.63 1.61 2.02 -1.26 -4.69 118.70 116.41 2by3 s GLU 103 Ca 0.36 1.94 -0.08 0.00 0.02 0.00 0.00 54.97 57.21 2by3 s GLU 103 Cb -0.03 -2.23 0.01 0.00 0.10 0.00 0.00 34.13 31.98 2by3 s GLU 103 CO 0.23 -0.94 0.97 0.00 0.02 0.00 0.00 175.26 175.53 2by3 s ALA 104 N -1.48 3.16 -0.06 5.21 0.00 0.96 -4.31 121.76 125.25 2by3 s ALA 104 Ca 0.70 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.16 2by3 s ALA 104 Cb -0.33 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 2by3 s ALA 104 CO 0.39 -0.89 -0.14 -2.00 0.00 0.00 0.00 175.76 173.11 2by3 s GLU 105 N -5.11 2.60 0.11 0.00 2.12 -0.22 -0.83 118.70 117.37 2by3 s GLU 105 Ca 0.55 -0.70 -0.30 0.00 0.36 0.00 0.00 54.97 54.88 2by3 s GLU 105 Cb -0.11 -2.40 -0.07 0.00 0.26 0.00 0.00 34.13 31.81 2by3 s GLU 105 CO 0.48 0.58 1.20 0.08 -0.54 0.00 0.00 175.26 177.06 2by3 s VAL 106 N -0.61 3.84 -0.04 3.70 1.01 -0.06 -3.99 120.40 124.25 2by3 s VAL 106 Ca 0.09 1.40 0.06 0.00 0.00 0.00 0.00 61.98 63.53 2by3 s VAL 106 Cb -0.11 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 2by3 s VAL 106 CO 0.01 0.15 -0.23 -0.69 0.00 0.00 0.00 175.10 174.34 2by3 s VAL 107 N 0.63 1.88 -0.27 2.92 1.01 -1.26 -0.95 120.40 124.35 2by3 s VAL 107 Ca 0.57 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 2by3 s VAL 107 Cb -0.31 -1.58 0.03 0.00 0.00 0.00 0.00 36.38 34.52 2by3 s VAL 107 CO 0.32 0.53 -0.01 -0.62 0.00 0.00 0.00 175.10 175.32 2by3 s ASP 108 N -0.31 4.64 0.01 3.32 -1.08 -1.26 -4.58 116.67 117.40 2by3 s ASP 108 Ca 0.02 -0.92 0.21 0.00 -0.52 0.00 0.00 52.55 51.35 2by3 s ASP 108 Cb -0.11 -1.73 0.91 0.00 -1.46 0.00 0.00 42.92 40.53 2by3 s ASP 108 CO 0.01 -0.17 1.69 0.49 0.52 0.00 0.00 175.17 177.71 2by3 n PHE 109 N 4.71 0.02 0.66 -5.34 3.72 -1.26 -3.21 117.46 116.76 2by3 n PHE 109 Ca -0.15 0.01 0.13 0.00 -0.05 0.00 0.00 57.45 57.38 2by3 n PHE 109 Cb 0.46 -0.51 0.46 0.00 -0.94 0.00 0.00 39.48 38.95 2by3 n PHE 109 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2by3 n GLY 110 N 0.71 -1.55 0.08 1.37 0.00 -1.26 -4.14 105.19 100.39 2by3 n GLY 110 Ca 0.05 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 2by3 n GLY 110 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2by3 h THR 111 N 0.00 1.48 -3.24 2.61 2.02 -2.00 -3.46 112.91 110.32 2by3 h THR 111 Ca 0.00 -1.51 -0.56 0.00 0.77 0.00 0.00 66.41 65.11 2by3 h THR 111 Cb 0.60 2.43 0.10 0.00 -1.74 0.00 0.00 68.15 69.53 2by3 h THR 111 CO 0.00 0.40 0.63 0.33 0.37 0.00 0.00 175.52 177.25 2by3 n PHE 112 N -4.70 2.44 -3.16 3.16 7.35 -1.26 -4.90 117.46 116.39 2by3 n PHE 112 Ca -0.09 0.46 -0.45 0.00 -0.76 0.00 0.00 57.45 56.61 2by3 n PHE 112 Cb 0.35 -2.47 -0.01 0.00 0.35 0.00 0.00 39.48 37.70 2by3 n PHE 112 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2by3 s ASP 113 N -0.01 6.93 0.36 -2.13 1.01 -1.26 -5.03 116.67 116.54 2by3 s ASP 113 Ca 0.60 -2.82 -0.28 0.00 0.71 0.00 0.00 52.55 50.76 2by3 s ASP 113 Cb -0.56 -2.29 -0.11 0.00 1.01 0.00 0.00 42.92 40.97 2by3 s ASP 113 CO 0.57 -0.65 1.42 0.26 0.21 0.00 0.00 175.17 176.98 2by3 s TRP 114 N 0.68 2.74 -0.21 4.23 0.52 -1.26 -4.95 118.94 120.69 2by3 s TRP 114 Ca 0.29 1.26 0.15 0.00 0.02 0.00 0.00 56.10 57.82 2by3 s TRP 114 Cb -0.07 -3.90 0.35 0.00 -1.15 0.00 0.00 33.47 28.70 2by3 s TRP 114 CO -0.07 -2.59 1.25 0.25 0.02 0.00 0.00 176.95 175.81 2by3 n THR 115 N 0.55 1.85 -1.45 2.01 -2.24 -1.26 -4.80 114.28 108.94 2by3 n THR 115 Ca 0.01 -1.85 -0.19 0.00 -2.27 0.00 0.00 64.05 59.74 2by3 n THR 115 Cb 0.40 -0.09 0.14 0.00 -2.10 0.00 0.00 70.33 68.69 2by3 n THR 115 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2by3 n ASP 116 N -0.79 4.28 0.28 3.42 5.75 -1.26 -4.64 116.55 123.60 2by3 n ASP 116 Ca 0.16 -3.74 0.12 0.00 -0.01 0.00 0.00 54.79 51.32 2by3 n ASP 116 Cb 0.67 -0.73 0.80 0.00 -1.03 0.00 0.00 41.12 40.83 2by3 n ASP 116 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2by3 h ALA 117 N 1.38 1.61 -0.26 2.12 0.00 -2.00 -1.57 119.26 120.53 2by3 h ALA 117 Ca 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2by3 h ALA 117 Cb 1.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2by3 h ALA 117 CO 0.90 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.94 2by3 n ASP 118 N -4.01 1.87 -4.78 0.00 8.00 -1.26 -4.80 116.55 111.57 2by3 n ASP 118 Ca -0.03 -1.84 -0.37 0.00 0.71 0.00 0.00 54.79 53.27 2by3 n ASP 118 Cb 0.12 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 40.98 2by3 n ASP 118 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2by3 s TRP 119 N -1.66 3.55 -0.17 1.24 -0.11 -0.59 -5.00 118.94 116.19 2by3 s TRP 119 Ca 0.30 0.69 0.17 0.00 1.22 0.00 0.00 56.10 58.48 2by3 s TRP 119 Cb 0.16 -2.28 0.44 0.00 -1.50 0.00 0.00 33.47 30.29 2by3 s TRP 119 CO 0.23 0.41 1.18 0.72 -4.62 0.00 0.00 176.95 174.87 2by3 n HIS 120 N 2.91 0.69 -2.64 5.86 8.25 -1.26 -5.06 115.22 123.97 2by3 n HIS 120 Ca -0.13 -1.43 0.00 0.00 -0.26 0.00 0.00 57.72 55.90 2by3 n HIS 120 Cb 0.52 -0.23 -0.00 0.00 1.12 0.00 0.00 29.99 31.40 2by3 n HIS 120 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2by3 n GLY 121 N -0.48 -2.13 2.97 -1.41 0.00 -1.26 -4.81 105.19 98.08 2by3 n GLY 121 Ca 0.18 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.63 2by3 n GLY 121 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2by3 s ILE 122 N -0.37 0.02 0.44 -0.61 2.07 -1.26 -5.01 121.20 116.48 2by3 s ILE 122 Ca 0.00 -0.18 -0.15 0.00 -1.41 0.00 0.00 60.65 58.91 2by3 s ILE 122 Cb 0.00 -0.17 -0.08 0.00 0.13 0.00 0.00 42.46 42.34 2by3 s ILE 122 CO 0.00 -0.10 0.87 -0.54 -1.91 0.00 0.00 174.94 173.27 2by3 s LYS 123 N -0.28 3.94 0.22 3.50 1.02 -1.26 -4.90 119.74 121.99 2by3 s LYS 123 Ca -0.03 0.78 -0.08 0.00 0.02 0.00 0.00 55.97 56.66 2by3 s LYS 123 Cb -0.02 -2.27 0.27 0.00 -0.52 0.00 0.00 37.83 35.28 2by3 s LYS 123 CO 0.00 -0.09 1.84 1.25 -0.92 0.00 0.00 175.35 177.43 2by3 h LEU 124 N 1.38 0.72 -2.78 3.17 5.85 -1.96 -0.84 115.31 120.86 2by3 h LEU 124 Ca -0.47 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2by3 h LEU 124 Cb 1.18 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 2by3 h LEU 124 CO 0.63 0.47 0.03 0.00 -0.34 0.00 0.00 178.44 179.23 2by3 h ALA 125 N 1.36 1.18 -0.16 1.25 0.00 -1.93 -0.36 119.26 120.60 2by3 h ALA 125 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2by3 h ALA 125 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2by3 h ALA 125 CO -0.16 -0.04 0.00 -0.25 0.00 0.00 0.00 179.25 178.81 2by3 n ASP 126 N -3.27 2.81 -4.73 0.00 8.00 -0.33 -4.98 116.55 114.05 2by3 n ASP 126 Ca -0.03 -1.90 -0.41 0.00 0.71 0.00 0.00 54.79 53.16 2by3 n ASP 126 Cb 0.10 -0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 41.07 2by3 n ASP 126 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2by3 s VAL 128 N -0.03 1.60 0.45 0.00 1.01 -1.26 -4.23 120.40 117.93 2by3 s VAL 128 Ca 0.45 -1.45 -0.20 0.00 0.00 0.00 0.00 61.98 60.77 2by3 s VAL 128 Cb -0.23 -1.95 -0.10 0.00 0.00 0.00 0.00 36.38 34.10 2by3 s VAL 128 CO 0.28 -0.26 0.96 -0.36 0.00 0.00 0.00 175.10 175.73 2by3 s PHE 129 N 1.33 3.30 -0.21 5.22 0.08 -0.27 -1.73 117.98 125.70 2by3 s PHE 129 Ca -0.01 1.59 -0.03 0.00 0.12 0.00 0.00 56.93 58.60 2by3 s PHE 129 Cb -0.19 -2.86 0.07 0.00 -0.57 0.00 0.00 43.02 39.46 2by3 s PHE 129 CO -0.09 -0.21 0.05 -0.47 -0.10 0.00 0.00 175.22 174.40 2by3 s TYR 130 N -2.22 0.93 -0.22 0.36 5.04 -0.00 -0.50 117.35 120.74 2by3 s TYR 130 Ca 0.62 -0.86 -0.26 0.00 -2.44 0.00 0.00 57.07 54.13 2by3 s TYR 130 Cb -0.10 -1.03 -0.00 0.00 0.35 0.00 0.00 41.96 41.18 2by3 s TYR 130 CO 0.16 -0.63 0.90 -2.00 -1.34 0.00 0.00 175.55 172.63 2by3 s GLU 131 N 1.89 4.24 -0.02 4.97 2.12 0.37 -0.68 118.70 131.59 2by3 s GLU 131 Ca 0.01 1.10 0.06 0.00 0.36 0.00 0.00 54.97 56.50 2by3 s GLU 131 Cb -0.17 -3.62 -0.01 0.00 0.26 0.00 0.00 34.13 30.58 2by3 s GLU 131 CO -0.11 -0.50 -0.21 0.14 -0.54 0.00 0.00 175.26 174.04 2by3 s VAL 132 N 2.75 1.63 -0.43 3.70 -7.23 0.11 -0.85 120.40 120.09 2by3 s VAL 132 Ca 0.39 -0.88 -0.12 0.00 -1.81 0.00 0.00 61.98 59.56 2by3 s VAL 132 Cb -0.16 -1.36 0.06 0.00 0.56 0.00 0.00 36.38 35.49 2by3 s VAL 132 CO 0.09 0.46 0.30 -2.28 -0.31 0.00 0.00 175.10 173.36 2by3 s HIS 133 N -0.44 3.27 0.29 2.82 2.46 -1.26 -4.39 115.29 118.04 2by3 s HIS 133 Ca 0.07 -1.11 0.04 0.00 0.47 0.00 0.00 55.06 54.53 2by3 s HIS 133 Cb -0.08 -2.88 0.69 0.00 -0.13 0.00 0.00 32.58 30.18 2by3 s HIS 133 CO -0.00 -0.76 1.77 0.28 -2.47 0.00 0.00 174.74 173.55 2by3 h VAL 134 N 5.88 0.69 -0.03 0.89 2.07 -1.95 -0.86 116.25 122.95 2by3 h VAL 134 Ca -0.26 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 2by3 h VAL 134 Cb 1.10 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2by3 h VAL 134 CO 0.78 0.13 -0.25 1.23 0.02 0.00 0.00 177.57 179.48 2by3 h GLY 135 N 0.70 0.05 0.00 2.17 0.00 -1.92 -3.23 103.07 100.84 2by3 h GLY 135 Ca 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.85 2by3 h GLY 135 CO -0.39 0.03 -1.04 -1.30 0.00 0.00 0.00 176.54 173.84 2by3 n THR 136 N -4.23 0.00 0.18 4.70 -2.24 -0.86 -4.26 114.28 107.57 2by3 n THR 136 Ca -0.02 -0.24 0.09 0.00 -2.27 0.00 0.00 64.05 61.61 2by3 n THR 136 Cb 0.31 0.65 0.61 0.00 -2.10 0.00 0.00 70.33 69.81 2by3 n THR 136 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2by3 h PHE 137 N 0.00 0.08 -4.01 4.78 3.57 -1.19 -1.65 116.94 118.52 2by3 h PHE 137 Ca 0.00 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.28 2by3 h PHE 137 Cb 0.43 -0.03 -0.15 0.00 2.79 0.00 0.00 35.95 38.99 2by3 h PHE 137 CO 0.00 0.05 -0.67 0.95 -2.23 0.00 0.00 178.31 176.41 2by3 s THR 138 N -5.13 0.47 0.17 4.41 -4.23 -1.26 -4.63 115.64 105.44 2by3 s THR 138 Ca -0.06 -1.93 -0.16 0.00 -1.18 0.00 0.00 61.69 58.37 2by3 s THR 138 Cb 0.17 -1.92 0.10 0.00 1.34 0.00 0.00 72.50 72.19 2by3 s THR 138 CO 0.69 -0.63 1.68 -0.65 -0.54 0.00 0.00 174.62 175.16 2by3 h PRO 139 N 2.86 0.04 -0.26 3.99 0.11 -1.85 -2.08 132.00 134.82 2by3 h PRO 139 Ca -0.36 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.67 2by3 h PRO 139 Cb 1.19 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2by3 h PRO 139 CO 0.63 0.03 -0.17 0.93 -0.21 0.00 0.00 178.00 179.20 2by3 h GLU 140 N 0.04 0.45 -2.90 1.05 3.07 -1.95 -3.47 114.58 110.87 2by3 h GLU 140 Ca 0.20 -0.14 -0.19 0.00 -0.50 0.00 0.00 59.36 58.73 2by3 h GLU 140 Cb 0.31 -0.04 0.05 0.00 -0.84 0.00 0.00 28.75 28.23 2by3 h GLU 140 CO -0.39 0.61 -0.31 0.41 -1.40 0.00 0.00 179.01 177.92 2by3 n GLY 141 N -0.57 0.17 3.37 -3.84 0.00 -0.78 -5.03 105.19 98.50 2by3 n GLY 141 Ca 0.00 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 2by3 n GLY 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2by3 s THR 142 N -3.00 1.11 0.20 2.61 -4.23 -1.25 -4.10 115.64 106.97 2by3 s THR 142 Ca 0.22 -2.04 -0.10 0.00 -1.18 0.00 0.00 61.69 58.59 2by3 s THR 142 Cb -0.10 -2.48 0.12 0.00 1.34 0.00 0.00 72.50 71.39 2by3 s THR 142 CO 0.27 -0.23 1.78 1.88 -0.54 0.00 0.00 174.62 177.79 2by3 h TYR 143 N 2.36 1.03 -0.55 3.99 0.99 -1.38 -1.63 116.97 121.78 2by3 h TYR 143 Ca -0.39 -0.05 0.02 0.00 2.00 0.00 0.00 58.73 60.31 2by3 h TYR 143 Cb 1.23 -0.32 -0.03 0.00 1.00 0.00 0.00 36.73 38.61 2by3 h TYR 143 CO 0.58 0.76 0.34 0.00 -0.00 0.00 0.00 178.16 179.84 2by3 h ARG 144 N 0.99 0.66 -0.57 4.88 2.47 -1.83 0.21 114.38 121.19 2by3 h ARG 144 Ca 0.24 -0.04 -0.08 0.00 -1.26 0.00 0.00 59.98 58.84 2by3 h ARG 144 Cb 0.13 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 2by3 h ARG 144 CO -0.03 0.43 0.03 0.00 0.56 0.00 0.00 179.97 180.96 2by3 h ALA 145 N 1.23 0.97 -0.68 0.04 0.00 -1.91 -2.94 119.26 115.99 2by3 h ALA 145 Ca 0.22 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2by3 h ALA 145 Cb -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2by3 h ALA 145 CO -0.08 0.63 0.26 0.00 0.00 0.00 0.00 179.25 180.05 2by3 h ALA 146 N 1.13 0.88 -0.60 0.00 0.00 -0.65 -2.52 119.26 117.51 2by3 h ALA 146 Ca 0.17 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.98 2by3 h ALA 146 Cb 0.48 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2by3 h ALA 146 CO 0.02 0.51 0.40 0.00 0.00 0.00 0.00 179.25 180.18 2by3 h ALA 147 N 1.11 1.95 0.00 0.00 0.00 -0.43 -0.06 119.26 121.83 2by3 h ALA 147 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2by3 h ALA 147 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2by3 h ALA 147 CO -0.02 -0.08 0.00 0.93 0.00 0.00 0.00 179.25 180.09 2by3 h GLU 148 N 0.46 0.00 -0.05 0.00 4.39 -1.38 -1.91 114.58 116.09 2by3 h GLU 148 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 2by3 h GLU 148 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2by3 h GLU 148 CO -0.08 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.40 2by3 n LYS 149 N -2.50 2.06 -0.14 2.33 4.76 -0.04 -4.49 118.16 120.14 2by3 n LYS 149 Ca 0.00 -1.54 -0.06 0.00 -2.87 0.00 0.00 58.31 53.84 2by3 n LYS 149 Cb 0.16 -1.47 0.03 0.00 -1.84 0.00 0.00 35.03 31.92 2by3 n LYS 149 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2by3 h LEU 150 N 3.69 0.35 -1.24 -0.35 3.38 -1.36 -1.71 115.31 118.07 2by3 h LEU 150 Ca 0.00 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.09 2by3 h LEU 150 Cb 0.79 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 2by3 h LEU 150 CO 0.00 0.25 0.56 -0.65 0.09 0.00 0.00 178.44 178.69 2by3 h PRO 151 N 0.47 0.81 -0.23 1.13 0.11 -1.81 0.76 132.00 133.23 2by3 h PRO 151 Ca 0.19 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 2by3 h PRO 151 Cb 0.08 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 2by3 h PRO 151 CO -0.12 0.53 0.12 -0.92 -0.21 0.00 0.00 178.00 177.41 2by3 h TYR 152 N 0.83 0.32 -0.48 0.65 3.20 -1.69 0.09 116.97 119.89 2by3 h TYR 152 Ca 0.40 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.23 2by3 h TYR 152 Cb 0.44 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 2by3 h TYR 152 CO -0.00 0.29 0.16 -0.07 -1.64 0.00 0.00 178.16 176.89 2by3 h LEU 153 N 0.26 0.69 -0.19 2.82 3.38 -0.54 0.12 115.31 121.86 2by3 h LEU 153 Ca 0.08 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2by3 h LEU 153 Cb 0.08 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2by3 h LEU 153 CO -0.01 0.71 -0.01 0.50 0.09 0.00 0.00 178.44 179.72 2by3 h LYS 154 N 0.64 0.05 -0.20 1.13 1.63 -0.74 -2.46 116.57 116.62 2by3 h LYS 154 Ca 0.16 -0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.84 2by3 h LYS 154 Cb 0.26 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 2by3 h LYS 154 CO -0.01 0.03 -0.34 1.49 -3.45 0.00 0.00 179.45 177.17 2by3 h GLU 155 N 0.05 0.43 -0.85 1.90 4.57 -0.72 -2.50 114.58 117.47 2by3 h GLU 155 Ca 0.09 -0.19 0.13 0.00 -1.18 0.00 0.00 59.36 58.21 2by3 h GLU 155 Cb 0.11 -0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.61 2by3 h GLU 155 CO -0.15 0.72 0.46 1.25 -1.18 0.00 0.00 179.01 180.11 2by3 h LEU 156 N 0.37 0.60 0.00 1.64 5.85 -0.50 -3.47 115.31 119.79 2by3 h LEU 156 Ca 0.04 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2by3 h LEU 156 Cb 0.78 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2by3 h LEU 156 CO 0.06 0.29 0.00 0.61 -0.34 0.00 0.00 178.44 179.06 2by3 n GLY 157 N -1.32 0.96 3.80 3.75 0.00 -0.94 -4.47 105.19 106.97 2by3 n GLY 157 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2by3 n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2by3 s VAL 158 N -2.00 3.82 0.00 1.61 -7.23 -1.19 -4.91 120.40 110.51 2by3 s VAL 158 Ca 0.00 0.60 0.00 0.00 -1.81 0.00 0.00 61.98 60.77 2by3 s VAL 158 Cb 0.00 -3.26 0.00 0.00 0.56 0.00 0.00 36.38 33.68 2by3 s VAL 158 CO 0.00 -0.77 0.00 0.35 -0.31 0.00 0.00 175.10 174.37 2by3 n THR 159 N -3.21 0.00 -3.76 5.32 -2.24 -0.71 -4.64 114.28 105.04 2by3 n THR 159 Ca 0.08 -0.32 -0.13 0.00 -2.27 0.00 0.00 64.05 61.41 2by3 n THR 159 Cb 0.53 0.93 -0.12 0.00 -2.10 0.00 0.00 70.33 69.57 2by3 n THR 159 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2by3 s ALA 160 N -0.80 -0.61 -0.32 6.98 0.00 -0.90 -0.92 121.76 125.20 2by3 s ALA 160 Ca 0.00 0.82 -0.13 0.00 0.00 0.00 0.00 51.96 52.65 2by3 s ALA 160 Cb 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 2by3 s ALA 160 CO 0.00 -0.15 0.28 0.42 0.00 0.00 0.00 175.76 176.31 2by3 s ILE 161 N 0.55 5.24 -0.45 0.00 -1.09 0.26 -0.82 121.20 124.89 2by3 s ILE 161 Ca -0.03 0.02 -0.15 0.00 -2.23 0.00 0.00 60.65 58.25 2by3 s ILE 161 Cb -0.05 -3.71 0.06 0.00 -1.58 0.00 0.00 42.46 37.17 2by3 s ILE 161 CO -0.03 0.03 0.35 -1.58 -1.23 0.00 0.00 174.94 172.48 2by3 s GLN 162 N 1.86 2.95 0.00 2.79 2.00 0.14 0.42 119.66 129.82 2by3 s GLN 162 Ca 0.09 -1.25 0.00 0.00 -2.00 0.00 0.00 55.36 52.20 2by3 s GLN 162 Cb -0.17 -4.06 0.00 0.00 0.80 0.00 0.00 33.01 29.59 2by3 s GLN 162 CO 0.11 -0.93 0.00 0.28 -0.50 0.00 0.00 175.29 174.25 2by3 n VAL 163 N 5.17 0.00 -3.17 1.34 0.31 0.53 -0.71 118.33 121.80 2by3 n VAL 163 Ca -0.12 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.84 2by3 n VAL 163 Cb 0.45 -1.30 -0.06 0.00 -0.91 0.00 0.00 33.84 32.01 2by3 n VAL 163 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2by3 s PRO 165 N 1.57 4.24 0.00 5.55 0.02 -1.25 -0.94 135.00 144.19 2by3 s PRO 165 Ca 0.00 0.81 0.08 0.00 0.02 0.00 0.00 61.00 61.91 2by3 s PRO 165 Cb 0.00 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.46 2by3 s PRO 165 CO 0.00 0.49 0.45 1.28 -0.33 0.00 0.00 177.00 178.89 2by3 n LEU 166 N 1.07 0.74 -4.68 -5.54 4.77 -1.26 -4.51 117.00 107.58 2by3 n LEU 166 Ca -0.05 -0.63 -0.44 0.00 -0.03 0.00 0.00 56.01 54.86 2by3 n LEU 166 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 2by3 n LEU 166 CO 0.43 0.16 0.99 0.00 -1.33 0.00 0.00 177.39 177.64 2by3 n ALA 167 N -0.73 1.24 -1.73 -1.18 0.00 -1.26 0.25 120.51 117.10 2by3 n ALA 167 Ca 0.02 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.44 2by3 n ALA 167 Cb 0.15 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.30 2by3 n ALA 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2by3 n ALA 168 N 1.45 2.66 -2.40 0.00 0.00 0.63 -4.44 120.51 118.41 2by3 n ALA 168 Ca 0.09 0.39 -0.20 0.00 0.00 0.00 0.00 53.44 53.72 2by3 n ALA 168 Cb 0.33 -2.49 -0.10 0.00 0.00 0.00 0.00 19.45 17.19 2by3 n ALA 168 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2by3 s PHE 169 N 0.55 1.81 0.47 0.00 -0.12 -1.26 -0.01 117.98 119.42 2by3 s PHE 169 Ca 0.69 -0.96 -0.20 0.00 -0.05 0.00 0.00 56.93 56.42 2by3 s PHE 169 Cb -0.50 -1.12 -0.09 0.00 -0.63 0.00 0.00 43.02 40.67 2by3 s PHE 169 CO 0.41 -0.02 1.01 0.34 -0.05 0.00 0.00 175.22 176.91 2by3 s ASP 170 N -3.41 6.50 0.00 1.98 2.15 -1.26 -4.69 116.67 117.94 2by3 s ASP 170 Ca 0.34 1.85 0.00 0.00 0.43 0.00 0.00 52.55 55.17 2by3 s ASP 170 Cb 0.07 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 2by3 s ASP 170 CO 0.13 -0.67 0.00 0.61 -0.17 0.00 0.00 175.17 175.08 2by3 n GLY 171 N -0.42 -0.50 0.61 2.66 0.00 -1.25 -4.62 105.19 101.66 2by3 n GLY 171 Ca 0.09 -1.78 0.11 0.00 0.00 0.00 0.00 46.02 44.44 2by3 n GLY 171 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2by3 n GLN 172 N -0.53 1.56 -3.56 1.61 1.13 -1.26 -4.94 117.38 111.40 2by3 n GLN 172 Ca 0.00 -1.24 -0.11 0.00 -1.94 0.00 0.00 57.00 53.71 2by3 n GLN 172 Cb 0.00 -1.44 -0.03 0.00 0.11 0.00 0.00 30.24 28.88 2by3 n GLN 172 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2by3 s ARG 173 N -2.22 1.21 0.00 -1.09 3.03 -1.26 -4.99 118.95 113.62 2by3 s ARG 173 Ca 0.20 -0.63 0.00 0.00 2.03 0.00 0.00 55.73 57.34 2by3 s ARG 173 Cb 0.18 0.53 0.00 0.00 -1.03 0.00 0.00 34.95 34.63 2by3 s ARG 173 CO 0.46 -0.51 0.00 0.41 -1.13 0.00 0.00 175.30 174.53 2by3 n GLY 174 N -0.31 1.38 0.23 3.88 0.00 -1.26 -3.44 105.19 105.67 2by3 n GLY 174 Ca -0.16 -0.77 -0.03 0.00 0.00 0.00 0.00 46.02 45.07 2by3 n GLY 174 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2by3 h TRP 175 N 0.00 0.49 0.00 1.61 4.06 -1.96 -3.48 115.95 116.67 2by3 h TRP 175 Ca 0.00 -0.10 0.00 0.00 2.06 0.00 0.00 58.89 60.85 2by3 h TRP 175 Cb 0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 29.16 28.04 2by3 h TRP 175 CO 0.00 0.66 0.00 0.41 -3.56 0.00 0.00 178.44 175.95 2by3 n GLY 176 N -0.39 1.75 0.00 1.49 0.00 -1.26 -4.09 105.19 102.68 2by3 n GLY 176 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 2by3 n GLY 176 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2by3 n TYR 177 N 0.00 0.00 -0.57 1.61 4.01 -1.26 -2.13 117.16 118.82 2by3 n TYR 177 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.84 2by3 n TYR 177 Cb 0.00 -0.13 0.35 0.00 -0.31 0.00 0.00 39.34 39.25 2by3 n TYR 177 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2by3 n ASP 178 N -1.13 4.58 -4.50 7.72 8.00 -1.26 -4.56 116.55 125.41 2by3 n ASP 178 Ca 0.16 -2.36 -0.50 0.00 0.71 0.00 0.00 54.79 52.80 2by3 n ASP 178 Cb 0.14 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 40.64 2by3 n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2by3 n GLY 179 N 1.20 -0.73 0.00 0.44 0.00 -0.90 -3.49 105.19 101.71 2by3 n GLY 179 Ca 0.25 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.77 2by3 n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2by3 n ALA 180 N 0.81 1.58 -3.86 4.61 0.00 0.99 -0.63 120.51 124.02 2by3 n ALA 180 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.27 2by3 n ALA 180 Cb 0.22 0.09 -0.12 0.00 0.00 0.00 0.00 19.45 19.64 2by3 n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2by3 s ALA 181 N -1.58 3.28 0.26 0.00 0.00 -0.97 -4.54 121.76 118.20 2by3 s ALA 181 Ca 0.00 -2.98 0.34 0.00 0.00 0.00 0.00 51.96 49.32 2by3 s ALA 181 Cb 0.00 -2.33 1.52 0.00 0.00 0.00 0.00 23.12 22.32 2by3 s ALA 181 CO 0.00 -1.94 2.05 0.74 0.00 0.00 0.00 175.76 176.61 2by3 h PHE 182 N 7.19 0.00 -0.02 0.00 -1.00 -1.88 -2.53 116.94 118.70 2by3 h PHE 182 Ca -0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.72 2by3 h PHE 182 Cb 0.97 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.53 2by3 h PHE 182 CO 0.57 0.05 -0.06 0.66 -1.61 0.00 0.00 178.31 177.92 2by3 n TYR 183 N -3.20 0.00 -3.80 -0.55 4.01 -1.26 -4.65 117.16 107.70 2by3 n TYR 183 Ca -0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.37 2by3 n TYR 183 Cb 0.27 -0.02 -0.13 0.00 -0.31 0.00 0.00 39.34 39.15 2by3 n TYR 183 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2by3 s ALA 184 N -2.09 2.97 0.31 -0.72 0.00 -0.97 -4.39 121.76 116.88 2by3 s ALA 184 Ca 0.33 -1.72 -0.29 0.00 0.00 0.00 0.00 51.96 50.28 2by3 s ALA 184 Cb 0.20 -2.15 -0.10 0.00 0.00 0.00 0.00 23.12 21.07 2by3 s ALA 184 CO 0.36 -1.27 1.40 -2.14 0.00 0.00 0.00 175.76 174.11 2by3 s PRO 185 N 1.37 4.26 -0.12 0.00 0.02 -1.26 -0.27 135.00 139.01 2by3 s PRO 185 Ca -0.02 2.33 -0.33 0.00 0.02 0.00 0.00 61.00 63.01 2by3 s PRO 185 Cb -0.19 -3.06 -0.10 0.00 0.02 0.00 0.00 34.50 31.17 2by3 s PRO 185 CO 0.02 -0.36 1.99 0.98 -0.33 0.00 0.00 177.00 179.30 2by3 n TYR 186 N 1.29 2.23 -0.32 6.54 9.36 0.14 -4.67 117.16 131.73 2by3 n TYR 186 Ca 0.03 -0.07 0.02 0.00 3.32 0.00 0.00 57.90 61.21 2by3 n TYR 186 Cb 0.41 -2.69 0.21 0.00 -0.63 0.00 0.00 39.34 36.64 2by3 n TYR 186 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2by3 h ALA 187 N 10.78 1.45 -0.06 2.98 0.00 -1.81 -1.82 119.26 130.78 2by3 h ALA 187 Ca -0.45 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.44 2by3 h ALA 187 Cb 1.27 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2by3 h ALA 187 CO 0.96 0.44 0.09 -1.35 0.00 0.00 0.00 179.25 179.38 2by3 h PRO 188 N 1.11 0.00 0.00 0.00 0.11 -1.94 -1.14 132.00 130.14 2by3 h PRO 188 Ca 0.38 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.45 2by3 h PRO 188 Cb 0.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 2by3 h PRO 188 CO -0.13 0.00 -0.19 1.88 -0.21 0.00 0.00 178.00 179.35 2by3 h TYR 189 N 0.00 0.00 0.00 0.65 0.99 -1.56 -3.44 116.97 113.61 2by3 h TYR 189 Ca 0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.76 2by3 h TYR 189 Cb 0.20 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.93 2by3 h TYR 189 CO 0.00 0.19 0.00 0.41 -0.00 0.00 0.00 178.16 178.76 2by3 n GLY 190 N 0.94 2.66 3.90 3.88 0.00 -0.43 -0.93 105.19 115.21 2by3 n GLY 190 Ca 0.03 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 2by3 n GLY 190 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2by3 s ARG 191 N -1.95 2.02 0.24 1.61 0.52 -1.26 -4.47 118.95 115.67 2by3 s ARG 191 Ca 0.00 0.10 -0.04 0.00 -0.52 0.00 0.00 55.73 55.27 2by3 s ARG 191 Cb 0.00 -1.97 0.43 0.00 0.52 0.00 0.00 34.95 33.93 2by3 s ARG 191 CO 0.00 -1.55 1.77 -1.35 0.02 0.00 0.00 175.30 174.19 2by3 h PRO 192 N -1.01 0.58 0.00 3.54 0.11 -1.92 -0.28 132.00 133.03 2by3 h PRO 192 Ca -0.46 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 2by3 h PRO 192 Cb 1.33 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2by3 h PRO 192 CO 0.66 0.38 -0.16 1.05 -0.21 0.00 0.00 178.00 179.72 2by3 h GLU 193 N 0.60 0.00 -0.40 1.05 9.09 -2.00 -1.77 114.58 121.15 2by3 h GLU 193 Ca 0.40 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.66 2by3 h GLU 193 Cb 0.51 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.60 2by3 h GLU 193 CO -0.32 0.16 -0.36 -0.44 0.05 0.00 0.00 179.01 178.10 2by3 h ASP 194 N 0.00 1.01 0.00 3.06 3.32 -1.42 -0.13 116.42 122.26 2by3 h ASP 194 Ca -0.00 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2by3 h ASP 194 Cb 0.35 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2by3 h ASP 194 CO 0.02 1.25 0.00 -0.11 -1.72 0.00 0.00 179.24 178.68 2by3 n LEU 195 N -4.06 0.60 0.00 1.55 7.94 -0.66 -1.96 117.00 120.40 2by3 n LEU 195 Ca -0.02 -0.30 0.00 0.00 -1.11 0.00 0.00 56.01 54.58 2by3 n LEU 195 Cb 0.53 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 44.35 2by3 n LEU 195 CO 0.48 0.11 0.00 0.00 -1.11 0.00 0.00 177.39 176.87 2by3 n ALA 197 N 0.70 0.00 -0.03 1.96 0.00 -0.06 -1.40 120.51 121.68 2by3 n ALA 197 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2by3 n ALA 197 Cb 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.47 2by3 n ALA 197 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2by3 h LEU 198 N 0.00 0.12 -0.54 0.00 5.85 -1.67 -0.50 115.31 118.58 2by3 h LEU 198 Ca 0.00 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 2by3 h LEU 198 Cb 0.00 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2by3 h LEU 198 CO 0.00 0.54 0.25 0.58 -0.34 0.00 0.00 178.44 179.47 2by3 h VAL 199 N -0.29 1.20 -0.79 1.05 2.07 -1.52 -0.71 116.25 117.27 2by3 h VAL 199 Ca 0.01 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 66.95 2by3 h VAL 199 Cb 0.50 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 2by3 h VAL 199 CO 0.01 0.23 0.52 -0.78 0.02 0.00 0.00 177.57 177.58 2by3 h ASP 200 N 0.73 0.91 -0.64 0.57 3.58 -1.80 -0.39 116.42 119.37 2by3 h ASP 200 Ca 0.18 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.57 2by3 h ASP 200 Cb 0.14 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 2by3 h ASP 200 CO -0.02 0.66 0.26 0.00 -2.88 0.00 0.00 179.24 177.25 2by3 h ALA 201 N 1.29 0.84 -0.33 -0.78 0.00 -0.72 -1.34 119.26 118.21 2by3 h ALA 201 Ca 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2by3 h ALA 201 Cb -0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 2by3 h ALA 201 CO -0.06 0.46 0.16 0.00 0.00 0.00 0.00 179.25 179.81 2by3 h ALA 202 N 1.11 0.43 -0.73 0.00 0.00 -0.70 -2.38 119.26 116.98 2by3 h ALA 202 Ca 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2by3 h ALA 202 Cb 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2by3 h ALA 202 CO -0.02 -0.02 0.33 0.45 0.00 0.00 0.00 179.25 180.00 2by3 h HIS 203 N 0.40 1.06 -0.16 0.00 -0.00 -0.83 0.03 115.15 115.67 2by3 h HIS 203 Ca 0.11 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.42 2by3 h HIS 203 Cb 0.11 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.18 2by3 h HIS 203 CO -0.02 0.79 0.05 0.00 -0.00 0.00 0.00 177.93 178.75 2by3 h ARG 204 N 1.05 0.21 -0.03 2.45 2.47 -0.89 -0.23 114.38 119.41 2by3 h ARG 204 Ca 0.25 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 2by3 h ARG 204 Cb 0.14 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 2by3 h ARG 204 CO -0.03 0.19 0.00 1.28 0.56 0.00 0.00 179.97 181.98 2by3 n LEU 205 N -4.46 1.30 0.00 3.04 4.77 -0.72 -4.93 117.00 116.00 2by3 n LEU 205 Ca -0.01 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 2by3 n LEU 205 Cb 0.12 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2by3 n LEU 205 CO 0.35 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2by3 n GLY 206 N 1.14 0.38 3.68 -0.72 0.00 -0.10 -5.01 105.19 104.56 2by3 n GLY 206 Ca 0.19 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 2by3 n GLY 206 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2by3 s LEU 207 N 0.00 3.73 0.64 0.99 1.43 -0.08 -4.98 118.68 120.42 2by3 s LEU 207 Ca 0.00 0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 53.13 2by3 s LEU 207 Cb 0.00 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 2by3 s LEU 207 CO 0.00 0.31 1.04 -0.83 0.23 0.00 0.00 176.35 177.10 2by3 s GLY 208 N -0.45 1.75 -0.05 -3.19 0.00 -0.10 -3.51 107.32 101.78 2by3 s GLY 208 Ca 0.09 0.07 -0.00 0.00 0.00 0.00 0.00 44.72 44.88 2by3 s GLY 208 CO 0.02 0.36 0.00 0.14 0.00 0.00 0.00 173.10 173.62 2by3 s VAL 209 N -2.99 0.27 0.15 1.40 1.01 -1.26 -0.57 120.40 118.40 2by3 s VAL 209 Ca 0.58 0.10 0.11 0.00 0.00 0.00 0.00 61.98 62.77 2by3 s VAL 209 Cb -0.13 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 2by3 s VAL 209 CO 0.51 0.20 -0.26 -0.36 0.00 0.00 0.00 175.10 175.19 2by3 s PHE 210 N 1.45 2.31 -0.07 5.22 0.08 0.17 -0.05 117.98 127.09 2by3 s PHE 210 Ca -0.03 -0.37 0.05 0.00 0.12 0.00 0.00 56.93 56.69 2by3 s PHE 210 Cb -0.13 -1.22 -0.00 0.00 -0.57 0.00 0.00 43.02 41.09 2by3 s PHE 210 CO -0.03 0.38 -0.21 -1.17 -0.10 0.00 0.00 175.22 174.09 2by3 s LEU 211 N -2.23 1.99 -0.11 -0.37 2.96 -0.64 -0.35 118.68 119.93 2by3 s LEU 211 Ca 0.16 -0.46 -0.30 0.00 -0.22 0.00 0.00 54.13 53.31 2by3 s LEU 211 Cb -0.09 -1.22 -0.01 0.00 0.50 0.00 0.00 46.19 45.36 2by3 s LEU 211 CO 0.07 0.18 1.03 -0.62 -1.32 0.00 0.00 176.35 175.69 2by3 s ASP 212 N 0.10 7.21 0.08 3.68 -1.08 -0.11 -0.37 116.67 126.18 2by3 s ASP 212 Ca -0.09 1.55 0.08 0.00 -0.52 0.00 0.00 52.55 53.57 2by3 s ASP 212 Cb -0.14 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.73 2by3 s ASP 212 CO 0.05 -0.48 -0.21 0.68 0.52 0.00 0.00 175.17 175.73 2by3 s VAL 213 N 2.14 1.68 -0.51 1.11 -7.23 -0.40 -3.91 120.40 113.28 2by3 s VAL 213 Ca 0.49 -1.40 0.04 0.00 -1.81 0.00 0.00 61.98 59.29 2by3 s VAL 213 Cb -0.19 -1.50 0.13 0.00 0.56 0.00 0.00 36.38 35.38 2by3 s VAL 213 CO 0.17 0.04 0.25 -0.69 -0.31 0.00 0.00 175.10 174.56 2by3 s VAL 214 N -1.02 2.60 -0.89 1.32 1.01 -1.26 -0.92 120.40 121.23 2by3 s VAL 214 Ca 0.07 -3.26 0.17 0.00 0.00 0.00 0.00 61.98 58.96 2by3 s VAL 214 Cb -0.09 -2.81 0.71 0.00 0.00 0.00 0.00 36.38 34.19 2by3 s VAL 214 CO 0.03 -0.79 1.62 -1.22 0.00 0.00 0.00 175.10 174.75 2by3 n TYR 215 N 3.18 1.51 0.41 5.22 4.01 -1.26 -4.29 117.16 125.94 2by3 n TYR 215 Ca 0.05 -0.65 0.07 0.00 -0.16 0.00 0.00 57.90 57.21 2by3 n TYR 215 Cb 0.33 -0.29 -0.09 0.00 -0.31 0.00 0.00 39.34 38.98 2by3 n TYR 215 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2by3 n ASN 216 N 0.89 1.05 -3.47 7.72 0.23 -1.26 -4.99 115.26 115.43 2by3 n ASN 216 Ca 0.25 -0.52 -0.13 0.00 -0.53 0.00 0.00 54.58 53.66 2by3 n ASN 216 Cb 0.93 1.25 -0.03 0.00 -2.08 0.00 0.00 39.78 39.85 2by3 n ASN 216 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 2by3 s HIS 217 N -2.58 -0.52 0.12 -2.53 -3.43 -1.26 -4.60 115.29 100.49 2by3 s HIS 217 Ca 0.01 0.51 0.04 0.00 -0.80 0.00 0.00 55.06 54.82 2by3 s HIS 217 Cb 0.10 0.51 -0.04 0.00 -1.43 0.00 0.00 32.58 31.73 2by3 s HIS 217 CO 0.59 -0.70 0.12 -0.06 -2.00 0.00 0.00 174.74 172.68 2by3 s PHE 218 N -2.88 3.19 1.01 0.38 0.08 -1.26 -4.93 117.98 113.57 2by3 s PHE 218 Ca -0.01 0.04 -0.12 0.00 0.12 0.00 0.00 56.93 56.96 2by3 s PHE 218 Cb -0.01 -1.57 0.19 0.00 -0.57 0.00 0.00 43.02 41.06 2by3 s PHE 218 CO -0.06 0.52 1.08 0.20 -0.10 0.00 0.00 175.22 176.86 2by3 s GLY 219 N -2.76 1.59 0.26 4.36 0.00 0.20 -4.67 107.32 106.30 2by3 s GLY 219 Ca 0.30 -0.04 0.26 0.00 0.00 0.00 0.00 44.72 45.24 2by3 s GLY 219 CO 0.23 0.54 1.76 -0.56 0.00 0.00 0.00 173.10 175.07 2by3 h PRO 220 N -2.02 0.00 -4.33 2.90 0.13 -1.88 -3.41 132.00 123.38 2by3 h PRO 220 Ca -0.53 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.10 2by3 h PRO 220 Cb 1.31 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.09 2by3 h PRO 220 CO 0.52 0.00 -0.80 0.45 -0.23 0.00 0.00 178.00 177.93 2by3 s SER 221 N -4.66 1.77 0.00 1.44 0.15 -1.26 -4.79 113.70 106.35 2by3 s SER 221 Ca 0.08 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2by3 s SER 221 Cb 0.11 -0.76 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 2by3 s SER 221 CO 0.55 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.56 2by3 n GLY 222 N 4.27 0.76 3.43 9.45 0.00 -1.26 -4.36 105.19 117.47 2by3 n GLY 222 Ca -0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 2by3 n GLY 222 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2by3 s ASN 223 N -2.42 6.14 -0.05 1.61 2.47 -1.26 -4.57 114.94 116.86 2by3 s ASN 223 Ca 0.00 -1.06 0.18 0.00 0.42 0.00 0.00 52.86 52.39 2by3 s ASN 223 Cb 0.00 -2.19 0.57 0.00 -1.45 0.00 0.00 41.25 38.19 2by3 s ASN 223 CO 0.00 -0.58 1.49 -1.22 -3.72 0.00 0.00 177.10 173.07 2by3 n TYR 224 N 5.29 1.01 0.06 0.43 4.01 -1.26 -4.61 117.16 122.09 2by3 n TYR 224 Ca -0.11 -0.57 0.05 0.00 -0.16 0.00 0.00 57.90 57.11 2by3 n TYR 224 Cb 0.45 -0.11 0.48 0.00 -0.31 0.00 0.00 39.34 39.85 2by3 n TYR 224 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2by3 h LEU 225 N 3.43 0.36 -1.85 7.72 3.38 -1.94 -0.40 115.31 126.00 2by3 h LEU 225 Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2by3 h LEU 225 Cb 1.12 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 2by3 h LEU 225 CO 0.10 0.26 -0.12 0.28 0.09 0.00 0.00 178.44 179.04 2by3 h SER 226 N 0.42 0.00 0.39 -0.43 0.02 -1.82 0.16 113.55 112.29 2by3 h SER 226 Ca 0.11 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 2by3 h SER 226 Cb -0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2by3 h SER 226 CO -0.02 0.12 -0.28 0.28 -1.14 0.00 0.00 176.83 175.78 2by3 h SER 227 N 0.00 0.00 0.03 3.07 0.02 -1.41 -3.15 113.55 112.11 2by3 h SER 227 Ca -0.00 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.70 2by3 h SER 227 Cb 0.37 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 2by3 h SER 227 CO 0.02 0.28 -1.32 1.88 -1.14 0.00 0.00 176.83 176.55 2by3 h TYR 228 N 0.00 0.13 -1.92 3.45 0.05 -1.29 -3.46 116.97 113.94 2by3 h TYR 228 Ca -0.00 -0.10 -0.08 0.00 0.05 0.00 0.00 58.73 58.60 2by3 h TYR 228 Cb 0.55 -0.01 -0.27 0.00 1.01 0.00 0.00 36.73 38.02 2by3 h TYR 228 CO 0.00 1.52 -0.39 0.00 -1.05 0.00 0.00 178.16 178.24 2by3 s ALA 229 N -2.40 -1.37 0.57 3.88 0.00 -0.07 -1.41 121.76 120.96 2by3 s ALA 229 Ca -0.26 1.33 0.26 0.00 0.00 0.00 0.00 51.96 53.29 2by3 s ALA 229 Cb 0.05 -1.67 1.57 0.00 0.00 0.00 0.00 23.12 23.07 2by3 s ALA 229 CO 0.65 -1.11 2.10 -1.35 0.00 0.00 0.00 175.76 176.04 2by3 h PRO 230 N 8.14 0.00 0.00 0.00 0.11 -1.78 -2.35 132.00 136.11 2by3 h PRO 230 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2by3 h PRO 230 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2by3 h PRO 230 CO 0.22 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.88 2by3 n SER 231 N -4.01 0.00 0.28 -2.05 3.41 -1.26 -1.82 113.62 108.17 2by3 n SER 231 Ca 0.02 -0.47 0.12 0.00 -0.26 0.00 0.00 58.87 58.29 2by3 n SER 231 Cb 0.33 -0.04 0.80 0.00 -0.26 0.00 0.00 64.21 65.04 2by3 n SER 231 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 2by3 h TYR 232 N 0.00 0.00 -2.14 7.33 0.05 -1.76 -3.45 116.97 117.01 2by3 h TYR 232 Ca 0.00 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 58.17 2by3 h TYR 232 Cb 0.02 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 37.63 2by3 h TYR 232 CO 0.00 0.01 -0.72 -0.06 -1.05 0.00 0.00 178.16 176.34 2by3 s PHE 233 N -4.77 2.37 0.08 4.88 0.08 -0.75 -0.85 117.98 119.01 2by3 s PHE 233 Ca -0.05 -0.36 0.05 0.00 0.12 0.00 0.00 56.93 56.69 2by3 s PHE 233 Cb 0.16 -1.12 -0.03 0.00 -0.57 0.00 0.00 43.02 41.46 2by3 s PHE 233 CO 0.60 0.67 -0.15 -0.08 -0.10 0.00 0.00 175.22 176.16 2by3 s THR 234 N -2.51 1.16 -2.33 0.64 -1.32 0.49 -4.71 115.64 107.06 2by3 s THR 234 Ca 0.31 -1.34 0.27 0.00 -1.21 0.00 0.00 61.69 59.71 2by3 s THR 234 Cb -0.03 -1.13 0.60 0.00 -1.51 0.00 0.00 72.50 70.43 2by3 s THR 234 CO 0.16 -0.23 1.80 -0.90 -2.21 0.00 0.00 174.62 173.25 2by3 n ASP 235 N 1.23 1.14 0.13 8.08 5.68 -1.26 -2.39 116.55 129.15 2by3 n ASP 235 Ca -0.21 -1.44 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 2by3 n ASP 235 Cb 0.54 -0.02 0.30 0.00 -1.14 0.00 0.00 41.12 40.81 2by3 n ASP 235 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 2by3 h ARG 236 N 1.71 0.17 -3.73 0.11 2.43 -1.95 -3.45 114.38 109.67 2by3 h ARG 236 Ca 0.00 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 2by3 h ARG 236 Cb 0.37 -0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 29.78 2by3 h ARG 236 CO 0.00 0.48 -0.26 -0.59 -1.51 0.00 0.00 179.97 178.09 2by3 s PHE 237 N -4.30 0.17 0.32 2.20 -0.12 -1.26 -5.11 117.98 109.88 2by3 s PHE 237 Ca -0.04 -0.55 0.10 0.00 -0.05 0.00 0.00 56.93 56.39 2by3 s PHE 237 Cb 0.14 0.04 -0.05 0.00 -0.63 0.00 0.00 43.02 42.51 2by3 s PHE 237 CO 0.75 -0.68 -0.04 -1.12 -0.05 0.00 0.00 175.22 174.09 2by3 s SER 238 N -2.90 4.09 0.07 1.98 0.01 -1.26 -1.61 113.70 114.09 2by3 s SER 238 Ca 0.10 -0.97 0.01 0.00 1.31 0.00 0.00 55.95 56.40 2by3 s SER 238 Cb 0.03 -0.52 0.01 0.00 0.21 0.00 0.00 66.02 65.75 2by3 s SER 238 CO -0.06 -0.15 0.07 -1.20 0.41 0.00 0.00 173.24 172.31 2by3 n SER 239 N -0.87 0.74 0.22 2.44 7.64 0.49 -4.61 113.62 119.67 2by3 n SER 239 Ca -0.05 -1.21 0.07 0.00 1.01 0.00 0.00 58.87 58.69 2by3 n SER 239 Cb 0.62 -0.03 0.50 0.00 -1.01 0.00 0.00 64.21 64.29 2by3 n SER 239 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2by3 h ALA 240 N 0.60 1.39 0.00 -0.43 0.00 -1.93 -3.30 119.26 115.59 2by3 h ALA 240 Ca -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2by3 h ALA 240 Cb 0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2by3 h ALA 240 CO 0.06 0.31 -1.21 0.91 0.00 0.00 0.00 179.25 179.32 2by3 n TRP 241 N -3.95 0.00 0.00 0.00 5.03 -1.26 -5.11 117.44 112.14 2by3 n TRP 241 Ca -0.02 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.51 2by3 n TRP 241 Cb 0.32 -0.11 0.00 0.00 -1.03 0.00 0.00 31.31 30.50 2by3 n TRP 241 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2by3 n GLY 242 N 2.29 -2.11 3.65 6.99 0.00 -1.24 -4.83 105.19 109.94 2by3 n GLY 242 Ca -0.01 0.70 -0.24 0.00 0.00 0.00 0.00 46.02 46.46 2by3 n GLY 242 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2by3 s GLY 244 N 0.00 1.67 -0.06 -0.02 0.00 -0.63 -0.38 107.32 107.89 2by3 s GLY 244 Ca 0.00 -1.54 -0.30 0.00 0.00 0.00 0.00 44.72 42.89 2by3 s GLY 244 CO 0.00 -1.58 1.10 1.08 0.00 0.00 0.00 173.10 173.70 2by3 s LEU 245 N -3.37 4.28 -0.75 0.66 1.02 -1.26 -0.38 118.68 118.87 2by3 s LEU 245 Ca 0.30 1.70 -0.17 0.00 0.02 0.00 0.00 54.13 55.97 2by3 s LEU 245 Cb -0.08 -3.56 0.14 0.00 0.02 0.00 0.00 46.19 42.72 2by3 s LEU 245 CO 0.19 -0.49 0.84 -0.62 0.02 0.00 0.00 176.35 176.29 2by3 s ASP 246 N 1.25 6.47 0.00 2.29 -1.08 -0.03 -4.77 116.67 120.80 2by3 s ASP 246 Ca 0.53 -1.96 0.18 0.00 -0.52 0.00 0.00 52.55 50.78 2by3 s ASP 246 Cb -0.22 -2.30 1.00 0.00 -1.46 0.00 0.00 42.92 39.94 2by3 s ASP 246 CO 0.21 -0.95 1.54 -1.22 0.52 0.00 0.00 175.17 175.28 2by3 n TYR 247 N 5.72 0.00 0.49 -5.34 4.01 -1.26 -1.24 117.16 119.54 2by3 n TYR 247 Ca 0.06 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.93 2by3 n TYR 247 Cb 0.46 -0.17 0.43 0.00 -0.31 0.00 0.00 39.34 39.75 2by3 n TYR 247 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2by3 h ALA 248 N 2.99 1.00 -2.24 -0.72 0.00 -1.89 -3.44 119.26 114.96 2by3 h ALA 248 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 2by3 h ALA 248 Cb 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.74 2by3 h ALA 248 CO 0.00 0.00 0.09 -2.00 0.00 0.00 0.00 179.25 177.34 2by3 s GLU 249 N -3.22 3.35 0.42 0.00 2.56 -0.37 -4.96 118.70 116.48 2by3 s GLU 249 Ca 0.08 -0.32 0.19 0.00 0.00 0.00 0.00 54.97 54.91 2by3 s GLU 249 Cb 0.10 -3.92 1.12 0.00 2.00 0.00 0.00 34.13 33.44 2by3 s GLU 249 CO 0.53 -0.93 1.83 -1.35 -0.56 0.00 0.00 175.26 174.79 2by3 h PRO 250 N 8.77 0.36 -1.52 4.30 0.11 -1.86 -1.62 132.00 140.55 2by3 h PRO 250 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2by3 h PRO 250 Cb 1.10 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2by3 h PRO 250 CO 0.87 0.24 0.00 0.72 -0.21 0.00 0.00 178.00 179.62 2by3 n HIS 251 N -4.52 0.00 0.00 0.65 8.25 -1.26 -0.51 115.22 117.84 2by3 n HIS 251 Ca 0.21 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2by3 n HIS 251 Cb 0.78 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.74 2by3 n HIS 251 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2by3 n ARG 253 N 0.77 0.00 0.23 -0.41 1.74 -0.61 -1.23 116.66 117.15 2by3 n ARG 253 Ca 0.00 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 2by3 n ARG 253 Cb 0.18 0.00 0.51 0.00 -1.02 0.00 0.00 32.46 32.13 2by3 n ARG 253 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2by3 h ARG 254 N 0.00 0.00 -0.43 5.56 3.08 -1.07 -1.10 114.38 120.43 2by3 h ARG 254 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 2by3 h ARG 254 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2by3 h ARG 254 CO 0.00 0.19 0.23 -0.92 -1.07 0.00 0.00 179.97 178.40 2by3 h TYR 255 N 0.00 0.44 0.16 3.04 3.20 -1.41 0.15 116.97 122.54 2by3 h TYR 255 Ca -0.00 0.02 -0.31 0.00 3.14 0.00 0.00 58.73 61.58 2by3 h TYR 255 Cb 0.68 -0.13 0.01 0.00 1.54 0.00 0.00 36.73 38.83 2by3 h TYR 255 CO 0.00 0.24 -1.43 -0.39 -1.64 0.00 0.00 178.16 174.94 2by3 h VAL 256 N 0.47 1.29 -0.36 1.81 -1.51 -1.76 -2.34 116.25 113.85 2by3 h VAL 256 Ca 0.18 -2.85 -0.11 0.00 -1.23 0.00 0.00 66.70 62.68 2by3 h VAL 256 Cb 0.05 2.89 -0.01 0.00 -2.13 0.00 0.00 31.29 32.09 2by3 h VAL 256 CO -0.10 0.85 -0.24 0.71 -1.23 0.00 0.00 177.57 177.55 2by3 h THR 257 N 0.09 1.27 -0.86 7.19 1.35 -1.22 -0.18 112.91 120.55 2by3 h THR 257 Ca -0.21 -1.35 0.01 0.00 -0.55 0.00 0.00 66.41 64.30 2by3 h THR 257 Cb 2.04 1.26 -0.04 0.00 -1.73 0.00 0.00 68.15 69.68 2by3 h THR 257 CO 0.20 0.45 0.56 1.23 -0.25 0.00 0.00 175.52 177.71 2by3 h GLY 258 N 0.98 1.22 0.62 5.82 0.00 -1.05 -1.58 103.07 109.09 2by3 h GLY 258 Ca 0.08 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 2by3 h GLY 258 CO 0.06 0.45 -0.03 -0.57 0.00 0.00 0.00 176.54 176.45 2by3 h ASN 259 N 1.17 0.11 -0.73 0.19 -0.73 -0.85 -3.03 115.58 111.71 2by3 h ASN 259 Ca 0.31 -0.44 0.08 0.00 1.87 0.00 0.00 56.30 58.13 2by3 h ASN 259 Cb -0.12 -0.03 -0.07 0.00 0.27 0.00 0.00 38.32 38.37 2by3 h ASN 259 CO -0.07 0.52 0.40 0.00 -0.37 0.00 0.00 177.43 177.91 2by3 h ALA 260 N 0.59 1.01 0.00 1.57 0.00 -0.90 -1.68 119.26 119.86 2by3 h ALA 260 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2by3 h ALA 260 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2by3 h ALA 260 CO 0.01 0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.83 2by3 n ARG 261 N -4.80 0.07 0.00 0.00 1.74 -0.61 -1.99 116.66 111.08 2by3 n ARG 261 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 2by3 n ARG 261 Cb 0.24 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 2by3 n ARG 261 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2by3 n TRP 263 N 0.95 0.00 -0.03 -1.55 5.03 -0.63 -0.27 117.44 120.94 2by3 n TRP 263 Ca 0.00 0.00 -0.13 0.00 3.03 0.00 0.00 57.50 60.40 2by3 n TRP 263 Cb 0.04 0.00 -0.10 0.00 -1.03 0.00 0.00 31.31 30.21 2by3 n TRP 263 CO 0.00 0.00 0.00 -0.07 -0.03 0.00 0.00 177.69 177.59 2by3 h LEU 264 N 0.00 0.04 0.01 -0.99 3.38 -1.65 -2.39 115.31 113.70 2by3 h LEU 264 Ca 0.00 -0.60 -0.04 0.00 0.09 0.00 0.00 57.88 57.33 2by3 h LEU 264 Cb 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2by3 h LEU 264 CO 0.00 0.63 -0.17 -0.09 0.09 0.00 0.00 178.44 178.90 2by3 h ARG 265 N -0.56 0.09 0.01 1.13 2.43 -0.89 -1.96 114.38 114.64 2by3 h ARG 265 Ca -0.00 -0.11 -0.28 0.00 -0.81 0.00 0.00 59.98 58.78 2by3 h ARG 265 Cb 0.62 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.17 2by3 h ARG 265 CO 0.00 0.95 -1.55 -0.44 -1.51 0.00 0.00 179.97 177.42 2by3 h ASP 266 N -0.72 0.04 -0.02 -3.80 3.32 -1.74 -3.32 116.42 110.19 2by3 h ASP 266 Ca -0.02 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2by3 h ASP 266 Cb 1.01 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.55 2by3 h ASP 266 CO 0.03 1.07 -0.08 -1.22 -1.72 0.00 0.00 179.24 177.32 2by3 n TYR 267 N -3.16 0.00 -1.56 4.55 4.01 -1.14 -5.01 117.16 114.86 2by3 n TYR 267 Ca -0.14 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.46 2by3 n TYR 267 Cb 1.03 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 40.00 2by3 n TYR 267 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2by3 n HIS 268 N 0.73 -0.12 -1.75 -0.72 8.25 -0.74 -4.88 115.22 116.00 2by3 n HIS 268 Ca 0.09 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.19 2by3 n HIS 268 Cb 0.42 -2.60 0.07 0.00 1.12 0.00 0.00 29.99 29.00 2by3 n HIS 268 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2by3 s PHE 269 N -2.55 2.13 -0.70 4.41 0.08 -0.92 -4.90 117.98 115.53 2by3 s PHE 269 Ca 0.00 1.51 0.24 0.00 0.12 0.00 0.00 56.93 58.80 2by3 s PHE 269 Cb 0.00 -3.62 0.30 0.00 -0.57 0.00 0.00 43.02 39.13 2by3 s PHE 269 CO 0.00 -2.74 1.27 -0.25 -0.10 0.00 0.00 175.22 173.40 2by3 n ASP 270 N -1.98 0.64 -3.61 1.36 8.00 0.93 -4.61 116.55 117.29 2by3 n ASP 270 Ca 0.15 -0.03 0.04 0.00 0.71 0.00 0.00 54.79 55.66 2by3 n ASP 270 Cb 0.49 0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 2by3 n ASP 270 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2by3 s GLY 271 N -3.54 -0.46 0.04 0.44 0.00 -1.24 -1.52 107.32 101.04 2by3 s GLY 271 Ca 0.06 0.85 0.05 0.00 0.00 0.00 0.00 44.72 45.68 2by3 s GLY 271 CO 0.74 0.85 -0.15 1.08 0.00 0.00 0.00 173.10 175.61 2by3 s LEU 272 N -3.09 2.19 -0.31 0.66 1.43 -0.51 -1.62 118.68 117.42 2by3 s LEU 272 Ca 0.17 -0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 52.72 2by3 s LEU 272 Cb 0.07 -0.64 0.03 0.00 0.03 0.00 0.00 46.19 45.68 2by3 s LEU 272 CO -0.06 0.03 0.08 -0.60 0.23 0.00 0.00 176.35 176.03 2by3 s ARG 273 N -1.23 2.78 -0.36 1.70 3.00 0.50 -0.92 118.95 124.41 2by3 s ARG 273 Ca 0.02 -1.06 -0.28 0.00 -1.00 0.00 0.00 55.73 53.41 2by3 s ARG 273 Cb -0.08 -3.37 0.02 0.00 0.00 0.00 0.00 34.95 31.51 2by3 s ARG 273 CO 0.01 -0.57 1.03 -0.51 0.00 0.00 0.00 175.30 175.27 2by3 s LEU 274 N 1.42 3.90 0.35 -0.88 1.43 0.10 -1.27 118.68 123.72 2by3 s LEU 274 Ca -0.00 0.78 -0.28 0.00 -1.03 0.00 0.00 54.13 53.59 2by3 s LEU 274 Cb -0.18 -3.44 -0.11 0.00 0.03 0.00 0.00 46.19 42.49 2by3 s LEU 274 CO 0.02 -0.94 1.38 -0.62 0.23 0.00 0.00 176.35 176.42 2by3 s ASP 275 N 1.87 6.61 -1.41 2.29 2.15 -0.10 -0.89 116.67 127.19 2by3 s ASP 275 Ca 0.43 2.82 -0.02 0.00 0.43 0.00 0.00 52.55 56.22 2by3 s ASP 275 Cb -0.11 -2.66 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 2by3 s ASP 275 CO 0.19 -0.66 0.38 0.00 -0.17 0.00 0.00 175.17 174.91 2by3 n ALA 276 N 0.70 -2.05 0.19 3.66 0.00 -1.14 -4.54 120.51 117.33 2by3 n ALA 276 Ca 0.00 -0.30 0.17 0.00 0.00 0.00 0.00 53.44 53.32 2by3 n ALA 276 Cb 0.41 -1.54 0.82 0.00 0.00 0.00 0.00 19.45 19.14 2by3 n ALA 276 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2by3 h THR 277 N -1.85 0.47 0.00 0.00 1.35 -1.54 -1.60 112.91 109.74 2by3 h THR 277 Ca -0.64 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 2by3 h THR 277 Cb 1.38 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2by3 h THR 277 CO 0.63 0.00 0.00 -0.65 -0.25 0.00 0.00 175.52 175.25 2by3 h PRO 278 N 0.00 0.00 -3.76 4.72 0.11 -1.89 -3.44 132.00 127.74 2by3 h PRO 278 Ca 0.10 0.00 -0.78 0.00 0.11 0.00 0.00 66.00 65.43 2by3 h PRO 278 Cb 0.55 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.39 2by3 h PRO 278 CO -0.00 0.00 0.11 0.71 -0.21 0.00 0.00 178.00 178.61 2by3 s TYR 279 N -3.71 3.81 -0.30 0.65 2.02 -0.60 -5.06 117.35 114.15 2by3 s TYR 279 Ca -0.01 -2.17 -0.16 0.00 -0.37 0.00 0.00 57.07 54.35 2by3 s TYR 279 Cb 0.09 -3.76 0.21 0.00 -0.40 0.00 0.00 41.96 38.10 2by3 s TYR 279 CO 0.36 -0.97 1.28 0.99 -1.57 0.00 0.00 175.55 175.65 2by3 s THR 281 N -0.10 -0.00 -0.26 -0.71 2.01 -1.26 -4.81 115.64 110.51 2by3 s THR 281 Ca 0.20 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.08 2by3 s THR 281 Cb -0.11 -1.00 0.10 0.00 0.01 0.00 0.00 72.50 71.50 2by3 s THR 281 CO -0.08 0.00 0.60 -0.62 -0.69 0.00 0.00 174.62 173.83 2by3 s ASP 282 N 1.14 -0.87 0.00 3.53 2.15 -1.26 -4.37 116.67 116.99 2by3 s ASP 282 Ca -0.07 1.39 0.20 0.00 0.43 0.00 0.00 52.55 54.50 2by3 s ASP 282 Cb -0.02 1.64 0.49 0.00 -0.30 0.00 0.00 42.92 44.74 2by3 s ASP 282 CO -0.10 -0.23 1.42 0.47 -0.17 0.00 0.00 175.17 176.56 2by3 n ASP 283 N 4.88 3.55 -4.63 -0.34 8.00 -1.26 -4.89 116.55 121.85 2by3 n ASP 283 Ca -0.16 -1.97 -0.35 0.00 0.71 0.00 0.00 54.79 53.02 2by3 n ASP 283 Cb 0.54 -0.35 0.10 0.00 -0.02 0.00 0.00 41.12 41.38 2by3 n ASP 283 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2by3 n SER 284 N 1.37 0.62 -0.14 -2.24 7.64 -1.26 -4.92 113.62 114.69 2by3 n SER 284 Ca 0.20 0.65 -0.04 0.00 1.01 0.00 0.00 58.87 60.68 2by3 n SER 284 Cb 0.57 -1.43 0.04 0.00 -1.01 0.00 0.00 64.21 62.38 2by3 n SER 284 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2by3 h GLU 285 N -0.40 0.33 -4.78 1.43 4.81 -2.01 -3.32 114.58 110.64 2by3 h GLU 285 Ca -0.47 -0.02 -0.68 0.00 -0.13 0.00 0.00 59.36 58.06 2by3 h GLU 285 Cb 1.32 -0.07 -0.19 0.00 0.63 0.00 0.00 28.75 30.44 2by3 h GLU 285 CO 0.47 0.22 -0.36 0.99 -0.73 0.00 0.00 179.01 179.59 2by3 s THR 286 N -6.14 5.21 0.56 0.32 2.01 -1.26 -5.05 115.64 111.29 2by3 s THR 286 Ca -0.13 -0.22 -0.20 0.00 0.31 0.00 0.00 61.69 61.45 2by3 s THR 286 Cb 0.13 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 2by3 s THR 286 CO 0.72 -0.15 1.25 -2.28 -0.69 0.00 0.00 174.62 173.48 2by3 s HIS 287 N 1.88 2.41 0.45 4.92 2.46 -1.25 -4.81 115.29 121.34 2by3 s HIS 287 Ca 0.09 1.47 0.14 0.00 0.47 0.00 0.00 55.06 57.23 2by3 s HIS 287 Cb -0.17 -3.58 1.06 0.00 -0.13 0.00 0.00 32.58 29.76 2by3 s HIS 287 CO 0.11 -2.37 2.01 0.97 -2.47 0.00 0.00 174.74 172.99 2by3 h ILE 288 N 1.19 0.92 -0.83 0.89 6.09 -1.91 0.35 117.51 124.20 2by3 h ILE 288 Ca -0.50 -0.12 -0.04 0.00 -1.37 0.00 0.00 64.86 62.83 2by3 h ILE 288 Cb 1.29 0.53 -0.04 0.00 0.47 0.00 0.00 36.82 39.08 2by3 h ILE 288 CO 0.56 0.06 0.37 -0.07 -3.07 0.00 0.00 178.15 176.01 2by3 h LEU 289 N 0.36 1.12 -0.48 2.19 3.38 -1.95 0.21 115.31 120.13 2by3 h LEU 289 Ca 0.24 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 2by3 h LEU 289 Cb 0.47 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2by3 h LEU 289 CO -0.06 0.96 -0.08 0.74 0.09 0.00 0.00 178.44 180.09 2by3 h THR 290 N 1.20 1.27 -0.46 0.22 2.02 -1.17 -2.01 112.91 113.97 2by3 h THR 290 Ca 0.28 -1.20 -0.10 0.00 0.77 0.00 0.00 66.41 66.17 2by3 h THR 290 Cb 0.17 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 2by3 h THR 290 CO -0.03 0.41 -0.09 -0.08 0.37 0.00 0.00 175.52 176.10 2by3 h GLU 291 N 0.75 0.83 -0.23 6.66 4.81 -0.77 -1.09 114.58 125.55 2by3 h GLU 291 Ca 0.13 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 59.12 2by3 h GLU 291 Cb 0.62 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 2by3 h GLU 291 CO 0.04 0.90 -0.04 -0.07 -0.73 0.00 0.00 179.01 179.10 2by3 h LEU 292 N 0.76 -0.19 -0.85 1.64 3.38 -0.46 0.11 115.31 119.69 2by3 h LEU 292 Ca 0.13 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2by3 h LEU 292 Cb 0.59 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 2by3 h LEU 292 CO 0.04 -0.06 0.51 0.00 0.09 0.00 0.00 178.44 179.01 2by3 h ALA 293 N 1.23 1.09 -0.22 1.53 0.00 -0.91 -0.30 119.26 121.68 2by3 h ALA 293 Ca 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2by3 h ALA 293 Cb 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2by3 h ALA 293 CO -0.23 0.56 0.13 1.96 0.00 0.00 0.00 179.25 181.67 2by3 h GLN 294 N 1.17 0.29 -0.20 0.00 4.20 -0.71 0.29 115.11 120.16 2by3 h GLN 294 Ca 0.31 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.94 2by3 h GLN 294 Cb -0.04 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2by3 h GLN 294 CO -0.06 0.23 -0.09 0.93 -0.67 0.00 0.00 178.83 179.18 2by3 h GLU 295 N 0.27 0.31 0.01 1.46 4.39 -0.38 -0.76 114.58 119.87 2by3 h GLU 295 Ca 0.08 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 2by3 h GLU 295 Cb 0.02 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2by3 h GLU 295 CO -0.01 0.41 -0.32 0.82 -1.16 0.00 0.00 179.01 178.74 2by3 h ILE 296 N 0.29 1.54 -0.67 3.13 2.04 -0.74 -3.15 117.51 119.95 2by3 h ILE 296 Ca 0.06 -2.03 0.19 0.00 1.00 0.00 0.00 64.86 64.08 2by3 h ILE 296 Cb 0.35 2.80 -0.03 0.00 -0.74 0.00 0.00 36.82 39.20 2by3 h ILE 296 CO 0.02 0.56 0.48 0.45 0.00 0.00 0.00 178.15 179.65 2by3 h HIS 297 N -0.46 0.04 0.00 1.37 3.86 -0.15 -2.12 115.15 117.69 2by3 h HIS 297 Ca -0.04 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 2by3 h HIS 297 Cb 1.09 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.55 2by3 h HIS 297 CO 0.18 0.01 -0.15 1.49 0.86 0.00 0.00 177.93 180.32 2by3 h GLU 298 N 0.03 0.00 0.00 2.45 4.22 -1.10 -2.17 114.58 118.02 2by3 h GLU 298 Ca 0.32 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.76 2by3 h GLU 298 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2by3 h GLU 298 CO -0.01 0.15 0.00 1.28 -2.18 0.00 0.00 179.01 178.25 2by3 n LEU 299 N -3.52 0.55 -1.12 1.64 4.77 -0.80 -4.88 117.00 113.63 2by3 n LEU 299 Ca -0.01 0.70 -0.09 0.00 -0.03 0.00 0.00 56.01 56.57 2by3 n LEU 299 Cb 0.30 -0.70 -0.00 0.00 -2.33 0.00 0.00 43.42 40.69 2by3 n LEU 299 CO 0.31 -0.75 -0.10 0.61 -1.33 0.00 0.00 177.39 176.13 2by3 n GLY 300 N -0.77 0.01 0.00 -0.72 0.00 -0.81 -5.02 105.19 97.87 2by3 n GLY 300 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2by3 n GLY 300 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2by3 n GLY 301 N -1.02 4.92 0.36 -0.02 0.00 -1.26 -5.07 105.19 103.10 2by3 n GLY 301 Ca -0.10 -1.91 0.08 0.00 0.00 0.00 0.00 46.02 44.08 2by3 n GLY 301 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2by3 n THR 302 N 0.00 2.06 -2.01 2.61 -2.24 -1.26 -5.03 114.28 108.41 2by3 n THR 302 Ca 0.00 -2.71 -0.37 0.00 -2.27 0.00 0.00 64.05 58.70 2by3 n THR 302 Cb 0.00 -0.24 0.02 0.00 -2.10 0.00 0.00 70.33 68.01 2by3 n THR 302 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2by3 s HIS 303 N -3.05 2.48 0.16 4.78 4.02 -1.26 -4.72 115.29 117.70 2by3 s HIS 303 Ca 0.35 1.48 0.06 0.00 1.02 0.00 0.00 55.06 57.97 2by3 s HIS 303 Cb 0.33 -3.55 -0.04 0.00 -1.02 0.00 0.00 32.58 28.30 2by3 s HIS 303 CO -0.01 -2.24 0.05 -0.51 1.02 0.00 0.00 174.74 173.05 2by3 s LEU 304 N -3.64 3.53 -0.08 0.89 1.43 -0.58 -4.96 118.68 115.27 2by3 s LEU 304 Ca 0.72 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.59 2by3 s LEU 304 Cb -0.33 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 43.73 2by3 s LEU 304 CO 0.38 0.10 -0.15 -0.76 0.23 0.00 0.00 176.35 176.14 2by3 s LEU 305 N -2.90 1.74 -0.08 1.79 1.43 -1.26 -1.43 118.68 117.97 2by3 s LEU 305 Ca 0.29 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 2by3 s LEU 305 Cb -0.10 -0.99 -0.00 0.00 0.03 0.00 0.00 46.19 45.13 2by3 s LEU 305 CO 0.20 0.05 -0.22 -0.76 0.23 0.00 0.00 176.35 175.86 2by3 s LEU 306 N 0.67 2.02 -0.14 1.79 2.01 -0.10 -0.16 118.68 124.76 2by3 s LEU 306 Ca -0.14 -0.50 -0.14 0.00 0.01 0.00 0.00 54.13 53.36 2by3 s LEU 306 Cb -0.16 -1.29 -0.05 0.00 0.01 0.00 0.00 46.19 44.70 2by3 s LEU 306 CO 0.04 0.16 0.31 0.00 1.01 0.00 0.00 176.35 177.87 2by3 s ALA 307 N 0.23 3.61 -0.66 4.21 0.00 -0.24 0.02 121.76 128.93 2by3 s ALA 307 Ca -0.13 -0.43 -0.23 0.00 0.00 0.00 0.00 51.96 51.16 2by3 s ALA 307 Cb -0.16 -2.39 0.06 0.00 0.00 0.00 0.00 23.12 20.63 2by3 s ALA 307 CO 0.06 0.14 1.01 -2.00 0.00 0.00 0.00 175.76 174.97 2by3 s GLU 308 N 0.28 3.15 -0.05 0.00 2.12 -0.07 -0.25 118.70 123.87 2by3 s GLU 308 Ca 0.18 -0.67 -0.02 0.00 0.36 0.00 0.00 54.97 54.81 2by3 s GLU 308 Cb -0.13 -4.20 0.04 0.00 0.26 0.00 0.00 34.13 30.10 2by3 s GLU 308 CO 0.05 -1.82 0.11 0.34 -0.54 0.00 0.00 175.26 173.40 2by3 s ASP 309 N 3.58 0.19 0.00 -1.70 -1.08 -1.24 -1.89 116.67 114.53 2by3 s ASP 309 Ca 0.25 0.22 0.26 0.00 -0.52 0.00 0.00 52.55 52.76 2by3 s ASP 309 Cb -0.15 0.10 0.70 0.00 -1.46 0.00 0.00 42.92 42.12 2by3 s ASP 309 CO 0.12 -0.17 1.55 0.00 0.52 0.00 0.00 175.17 177.19 2by3 n HIS 310 N 4.49 0.02 0.98 -5.34 1.44 -1.26 -4.42 115.22 111.12 2by3 n HIS 310 Ca -0.21 -0.01 0.13 0.00 -2.01 0.00 0.00 57.72 55.62 2by3 n HIS 310 Cb 0.51 0.00 0.59 0.00 0.12 0.00 0.00 29.99 31.21 2by3 n HIS 310 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2by3 n ARG 311 N 0.65 0.06 -3.57 -1.40 1.74 -1.26 -4.92 116.66 107.96 2by3 n ARG 311 Ca 0.17 0.04 -0.25 0.00 -0.77 0.00 0.00 57.85 57.04 2by3 n ARG 311 Cb 0.45 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.44 2by3 n ARG 311 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2by3 n ASN 312 N -1.47 -5.06 -4.03 0.55 3.02 -1.26 -3.38 115.26 103.63 2by3 n ASN 312 Ca 0.07 -0.91 -0.31 0.00 -0.03 0.00 0.00 54.58 53.41 2by3 n ASN 312 Cb 0.30 -3.98 -0.15 0.00 -0.61 0.00 0.00 39.78 35.34 2by3 n ASN 312 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2by3 s LEU 313 N -6.20 4.15 0.56 3.41 2.96 -1.26 -1.53 118.68 120.76 2by3 s LEU 313 Ca 0.40 -1.84 0.32 0.00 -0.22 0.00 0.00 54.13 52.80 2by3 s LEU 313 Cb -0.11 -1.56 1.65 0.00 0.50 0.00 0.00 46.19 46.66 2by3 s LEU 313 CO 0.82 -0.31 2.12 1.55 -1.32 0.00 0.00 176.35 179.21 2by3 h PRO 314 N 7.69 0.00 -0.28 0.98 0.13 -1.89 -2.84 132.00 135.79 2by3 h PRO 314 Ca -0.10 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.11 2by3 h PRO 314 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2by3 h PRO 314 CO 0.49 0.07 0.35 -0.44 -0.23 0.00 0.00 178.00 178.24 2by3 h ASP 315 N 0.00 0.00 -0.85 1.44 5.19 -1.95 -0.22 116.42 120.03 2by3 h ASP 315 Ca -0.00 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.51 2by3 h ASP 315 Cb 0.30 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.75 2by3 h ASP 315 CO 0.01 0.00 0.55 -0.07 -3.12 0.00 0.00 179.24 176.61 2by3 h LEU 316 N 0.00 0.74 0.00 1.55 3.38 -1.91 0.16 115.31 119.24 2by3 h LEU 316 Ca 0.13 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 2by3 h LEU 316 Cb 0.83 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2by3 h LEU 316 CO -0.00 0.44 -0.88 0.58 0.09 0.00 0.00 178.44 178.66 2by3 h VAL 317 N 0.82 1.18 0.00 1.22 2.07 -1.26 -1.29 116.25 118.99 2by3 h VAL 317 Ca 0.39 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.68 2by3 h VAL 317 Cb 0.43 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 2by3 h VAL 317 CO -0.16 0.41 -0.42 0.71 0.02 0.00 0.00 177.57 178.13 2by3 h THR 318 N -0.98 0.00 0.00 2.57 1.35 -1.26 -2.47 112.91 112.12 2by3 h THR 318 Ca -0.24 -0.58 -0.07 0.00 -0.55 0.00 0.00 66.41 64.97 2by3 h THR 318 Cb 1.22 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 2by3 h THR 318 CO -0.14 0.00 -1.23 0.52 -0.25 0.00 0.00 175.52 174.42 2by3 n VAL 319 N -2.29 0.23 0.68 6.82 0.31 0.38 -4.70 118.33 119.75 2by3 n VAL 319 Ca 0.04 -0.06 0.13 0.00 -0.01 0.00 0.00 64.34 64.44 2by3 n VAL 319 Cb 0.45 -1.39 0.44 0.00 -0.91 0.00 0.00 33.84 32.43 2by3 n VAL 319 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2by3 n ASN 320 N -3.08 0.70 -1.35 4.52 4.13 -0.09 -4.92 115.26 115.17 2by3 n ASN 320 Ca -0.08 0.57 -0.13 0.00 1.68 0.00 0.00 54.58 56.62 2by3 n ASN 320 Cb 0.56 -0.75 -0.02 0.00 -1.54 0.00 0.00 39.78 38.03 2by3 n ASN 320 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2by3 n HIS 321 N -2.16 -0.44 -1.29 3.10 8.25 -0.93 -4.31 115.22 117.46 2by3 n HIS 321 Ca 0.06 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.22 2by3 n HIS 321 Cb 0.42 -2.72 0.12 0.00 1.12 0.00 0.00 29.99 28.93 2by3 n HIS 321 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2by3 s LEU 322 N -3.53 2.48 -0.02 2.41 1.43 -0.50 -4.93 118.68 116.02 2by3 s LEU 322 Ca 0.00 1.52 0.09 0.00 -1.03 0.00 0.00 54.13 54.71 2by3 s LEU 322 Cb 0.00 -4.04 -0.23 0.00 0.03 0.00 0.00 46.19 41.95 2by3 s LEU 322 CO 0.00 -2.38 0.76 0.44 0.23 0.00 0.00 176.35 175.40 2by3 h ASP 323 N -1.37 0.06 -5.58 2.29 3.32 -0.85 -3.39 116.42 110.91 2by3 h ASP 323 Ca -0.48 -0.11 0.24 0.00 0.02 0.00 0.00 57.03 56.70 2by3 h ASP 323 Cb 1.27 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.74 2by3 h ASP 323 CO 0.55 1.10 0.70 -0.83 -1.72 0.00 0.00 179.24 179.04 2by3 s GLY 324 N -5.07 -0.07 -0.02 2.75 0.00 -1.21 -4.52 107.32 99.18 2by3 s GLY 324 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.63 2by3 s GLY 324 CO 0.82 2.79 0.02 -0.42 0.00 0.00 0.00 173.10 176.31 2by3 s ILE 325 N -2.27 0.02 -0.27 0.90 1.01 0.53 -1.08 121.20 120.04 2by3 s ILE 325 Ca 0.22 0.14 -0.29 0.00 0.00 0.00 0.00 60.65 60.72 2by3 s ILE 325 Cb -0.01 -0.13 -0.01 0.00 0.01 0.00 0.00 42.46 42.32 2by3 s ILE 325 CO 0.02 0.09 1.48 0.26 0.00 0.00 0.00 174.94 176.79 2by3 s TRP 326 N 0.86 2.35 -0.13 3.97 0.52 0.65 -0.99 118.94 126.17 2by3 s TRP 326 Ca -0.08 0.69 0.02 0.00 0.02 0.00 0.00 56.10 56.75 2by3 s TRP 326 Cb -0.11 -3.98 -0.00 0.00 -1.15 0.00 0.00 33.47 28.23 2by3 s TRP 326 CO -0.02 -2.37 -0.18 -0.08 0.02 0.00 0.00 176.95 174.31 2by3 s THR 327 N 4.95 2.47 -0.74 2.01 -1.32 -0.88 -3.72 115.64 118.40 2by3 s THR 327 Ca 0.65 -0.86 0.24 0.00 -1.21 0.00 0.00 61.69 60.51 2by3 s THR 327 Cb -0.21 -2.00 -0.04 0.00 -1.51 0.00 0.00 72.50 68.74 2by3 s THR 327 CO 0.27 0.54 1.20 0.47 -2.21 0.00 0.00 174.62 174.89 2by3 n ASP 328 N 3.80 0.63 -0.36 8.08 8.00 -1.26 -4.36 116.55 131.08 2by3 n ASP 328 Ca -0.19 -0.17 0.05 0.00 0.71 0.00 0.00 54.79 55.19 2by3 n ASP 328 Cb 0.52 0.49 0.21 0.00 -0.02 0.00 0.00 41.12 42.32 2by3 n ASP 328 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2by3 h ASP 329 N 0.00 0.96 -0.08 -2.24 3.32 -1.95 0.11 116.42 116.55 2by3 h ASP 329 Ca 0.00 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.09 2by3 h ASP 329 Cb 0.66 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2by3 h ASP 329 CO 0.00 0.55 0.01 0.15 -1.72 0.00 0.00 179.24 178.23 2by3 h PHE 330 N 1.05 0.01 -0.28 4.55 3.57 -1.84 0.73 116.94 124.73 2by3 h PHE 330 Ca 0.47 0.01 0.06 0.00 3.53 0.00 0.00 57.97 62.03 2by3 h PHE 330 Cb 0.36 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 2by3 h PHE 330 CO -0.01 -0.00 -0.07 1.25 -2.23 0.00 0.00 178.31 177.25 2by3 h HIS 331 N 0.04 -0.15 -0.49 0.41 2.76 -1.31 -0.80 115.15 115.61 2by3 h HIS 331 Ca 0.03 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.13 2by3 h HIS 331 Cb 0.03 0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 2by3 h HIS 331 CO -0.11 -0.12 -0.07 0.45 -1.30 0.00 0.00 177.93 176.78 2by3 h HIS 332 N -0.00 1.01 -0.81 5.26 3.86 -0.61 0.29 115.15 124.14 2by3 h HIS 332 Ca 0.13 -0.20 -0.04 0.00 -1.16 0.00 0.00 60.37 59.10 2by3 h HIS 332 Cb 0.21 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.39 2by3 h HIS 332 CO -0.27 0.96 0.34 1.49 0.86 0.00 0.00 177.93 181.31 2by3 h GLU 333 N 0.76 1.21 -0.08 2.45 4.57 -0.64 -0.55 114.58 122.29 2by3 h GLU 333 Ca 0.13 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2by3 h GLU 333 Cb 0.61 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2by3 h GLU 333 CO 0.04 0.96 0.04 1.15 -1.18 0.00 0.00 179.01 180.02 2by3 h THR 334 N 1.18 1.12 -0.34 0.32 2.02 -0.84 -0.82 112.91 115.55 2by3 h THR 334 Ca 0.27 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 2by3 h THR 334 Cb 0.19 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 2by3 h THR 334 CO -0.03 0.10 0.20 -0.09 0.37 0.00 0.00 175.52 176.08 2by3 h ARG 335 N -0.01 0.46 -0.45 6.66 2.43 -0.64 -1.81 114.38 121.02 2by3 h ARG 335 Ca 0.03 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 2by3 h ARG 335 Cb 0.13 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2by3 h ARG 335 CO -0.00 0.35 -0.00 0.28 -1.51 0.00 0.00 179.97 179.08 2by3 h VAL 336 N 0.44 1.23 -0.69 0.20 2.07 -1.05 0.62 116.25 119.06 2by3 h VAL 336 Ca 0.12 -0.96 0.08 0.00 0.82 0.00 0.00 66.70 66.76 2by3 h VAL 336 Cb 0.01 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 2by3 h VAL 336 CO -0.02 0.34 0.36 0.74 0.02 0.00 0.00 177.57 179.01 2by3 h THR 337 N 0.69 0.90 0.00 2.57 2.02 -0.69 0.23 112.91 118.63 2by3 h THR 337 Ca 0.14 -0.22 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 2by3 h THR 337 Cb 0.43 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2by3 h THR 337 CO 0.02 0.12 -0.75 -0.07 0.37 0.00 0.00 175.52 175.20 2by3 h LEU 338 N 0.64 0.00 0.00 2.58 3.38 -0.48 -3.40 115.31 118.03 2by3 h LEU 338 Ca 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 2by3 h LEU 338 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2by3 h LEU 338 CO -0.23 0.33 -1.08 0.35 0.09 0.00 0.00 178.44 177.90 2by3 n THR 339 N -3.00 0.03 -0.82 0.22 -2.24 0.12 -4.45 114.28 104.14 2by3 n THR 339 Ca -0.01 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2by3 n THR 339 Cb 0.69 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 2by3 n THR 339 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2by3 n GLY 340 N 2.60 1.35 3.74 3.38 0.00 0.78 -4.99 105.19 112.04 2by3 n GLY 340 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 2by3 n GLY 340 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2by3 s GLU 341 N -0.01 2.71 -0.00 1.61 -1.05 -1.26 -4.96 118.70 115.73 2by3 s GLU 341 Ca 0.00 2.01 0.01 0.00 -0.15 0.00 0.00 54.97 56.83 2by3 s GLU 341 Cb 0.00 -1.89 0.01 0.00 -0.44 0.00 0.00 34.13 31.81 2by3 s GLU 341 CO 0.00 -1.46 0.66 1.04 0.95 0.00 0.00 175.26 176.45 2by3 n GLN 342 N -1.76 0.58 -2.76 -4.83 1.13 -1.26 -4.68 117.38 103.80 2by3 n GLN 342 Ca 0.15 -0.79 -0.35 0.00 -1.94 0.00 0.00 57.00 54.06 2by3 n GLN 342 Cb 0.48 -0.62 -0.06 0.00 0.11 0.00 0.00 30.24 30.15 2by3 n GLN 342 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2by3 s GLU 343 N -0.26 4.38 5.90 -1.09 0.41 -1.26 -3.04 118.70 123.75 2by3 s GLU 343 Ca 0.01 1.28 0.00 0.00 -0.41 0.00 0.00 54.97 55.84 2by3 s GLU 343 Cb 0.01 -2.52 0.00 0.00 -1.78 0.00 0.00 34.13 29.83 2by3 s GLU 343 CO 0.00 0.10 0.00 0.41 -0.49 0.00 0.00 175.26 175.28 2by3 n GLY 344 N 0.07 2.85 0.18 -1.39 0.00 -1.26 -2.05 105.19 103.59 2by3 n GLY 344 Ca 0.04 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.81 2by3 n GLY 344 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2by3 h TYR 345 N 0.00 0.00 0.00 1.61 -0.00 -1.99 -2.36 116.97 114.23 2by3 h TYR 345 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.73 2by3 h TYR 345 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.73 2by3 h TYR 345 CO 0.00 0.00 -0.02 1.88 -0.00 0.00 0.00 178.16 180.02 2by3 h TYR 346 N 0.00 0.00 0.00 0.10 0.05 -1.68 -0.60 116.97 114.84 2by3 h TYR 346 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2by3 h TYR 346 Cb 0.42 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.16 2by3 h TYR 346 CO 0.00 0.02 0.00 0.00 -1.05 0.00 0.00 178.16 177.13 2by3 n ALA 347 N -2.31 1.10 1.99 3.88 0.00 -0.89 -2.20 120.51 122.08 2by3 n ALA 347 Ca -0.03 0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.61 2by3 n ALA 347 Cb 0.10 -1.12 0.89 0.00 0.00 0.00 0.00 19.45 19.33 2by3 n ALA 347 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2by3 n GLY 348 N -1.25 -0.97 2.98 0.00 0.00 -0.23 -4.86 105.19 100.85 2by3 n GLY 348 Ca 0.00 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 2by3 n GLY 348 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2by3 s TYR 349 N -2.00 0.61 -0.02 1.61 2.02 -0.93 -5.03 117.35 113.61 2by3 s TYR 349 Ca 0.45 -0.12 -0.02 0.00 -0.37 0.00 0.00 57.07 57.02 2by3 s TYR 349 Cb 0.21 -0.40 -0.27 0.00 -0.40 0.00 0.00 41.96 41.10 2by3 s TYR 349 CO 0.35 -0.02 0.76 -0.09 -1.57 0.00 0.00 175.55 174.98 2by3 h ARG 350 N 6.01 0.22 -1.61 -0.62 2.43 -1.89 -3.50 114.38 115.42 2by3 h ARG 350 Ca -0.29 -0.37 0.20 0.00 -0.81 0.00 0.00 59.98 58.70 2by3 h ARG 350 Cb 1.19 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.82 2by3 h ARG 350 CO 0.50 1.05 -0.28 0.41 -1.51 0.00 0.00 179.97 180.13 2by3 n GLY 351 N 1.70 -1.66 0.00 2.80 0.00 -1.26 -4.68 105.19 102.09 2by3 n GLY 351 Ca -0.19 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.49 2by3 n GLY 351 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2by3 n GLY 352 N -2.71 1.82 0.08 -0.02 0.00 -1.26 -4.43 105.19 98.67 2by3 n GLY 352 Ca 0.00 -2.00 -0.11 0.00 0.00 0.00 0.00 46.02 43.90 2by3 n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2by3 h ALA 353 N 0.00 0.13 -0.41 4.61 0.00 -1.84 0.34 119.26 122.10 2by3 h ALA 353 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2by3 h ALA 353 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2by3 h ALA 353 CO 0.00 -0.30 0.26 1.49 0.00 0.00 0.00 179.25 180.70 2by3 h GLU 354 N 0.03 0.52 -0.46 0.00 4.81 -1.88 0.01 114.58 117.61 2by3 h GLU 354 Ca 0.03 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2by3 h GLU 354 Cb 0.13 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 2by3 h GLU 354 CO -0.00 0.34 0.30 0.00 -0.73 0.00 0.00 179.01 178.92 2by3 h ALA 355 N 1.16 0.58 -0.46 2.92 0.00 -1.71 -0.64 119.26 121.11 2by3 h ALA 355 Ca 0.15 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2by3 h ALA 355 Cb -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2by3 h ALA 355 CO -0.04 0.03 0.13 -0.07 0.00 0.00 0.00 179.25 179.29 2by3 h LEU 356 N 0.62 0.68 -0.83 0.00 3.38 -0.74 -0.96 115.31 117.45 2by3 h LEU 356 Ca 0.17 -0.22 0.13 0.00 0.09 0.00 0.00 57.88 58.05 2by3 h LEU 356 Cb -0.07 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.42 2by3 h LEU 356 CO -0.04 0.72 0.43 0.00 0.09 0.00 0.00 178.44 179.64 2by3 h ALA 357 N 0.99 1.22 -0.10 1.53 0.00 -0.37 -0.59 119.26 121.93 2by3 h ALA 357 Ca 0.14 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2by3 h ALA 357 Cb 0.29 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2by3 h ALA 357 CO -0.00 -0.05 -0.04 -0.92 0.00 0.00 0.00 179.25 178.24 2by3 h TYR 358 N 0.65 0.24 -0.71 0.00 3.20 -0.82 -1.46 116.97 118.08 2by3 h TYR 358 Ca 0.44 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 62.26 2by3 h TYR 358 Cb 0.56 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 2by3 h TYR 358 CO -0.09 0.55 0.47 1.15 -1.64 0.00 0.00 178.16 178.60 2by3 h THR 359 N -0.14 1.17 -0.28 1.81 2.02 -0.89 -0.23 112.91 116.37 2by3 h THR 359 Ca 0.02 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 2by3 h THR 359 Cb 0.49 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2by3 h THR 359 CO 0.01 0.17 0.16 0.40 0.37 0.00 0.00 175.52 176.64 2by3 h ILE 360 N 0.95 1.12 0.00 3.11 2.04 -1.09 0.00 117.51 123.63 2by3 h ILE 360 Ca 0.26 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 2by3 h ILE 360 Cb -0.09 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2by3 h ILE 360 CO -0.06 0.12 -0.05 0.08 0.00 0.00 0.00 178.15 178.23 2by3 h ARG 361 N 0.34 0.00 -0.02 2.37 0.11 -0.69 -2.04 114.38 114.46 2by3 h ARG 361 Ca 0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.18 2by3 h ARG 361 Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 2by3 h ARG 361 CO -0.02 0.05 -0.38 0.54 0.10 0.00 0.00 179.97 180.26 2by3 n ARG 362 N -3.26 1.43 0.00 0.08 5.12 -0.15 -5.00 116.66 114.89 2by3 n ARG 362 Ca -0.01 -1.09 0.00 0.00 -1.93 0.00 0.00 57.85 54.82 2by3 n ARG 362 Cb 0.24 -1.44 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 2by3 n ARG 362 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2by3 n GLY 363 N 1.35 1.43 3.37 -0.13 0.00 -0.03 -4.66 105.19 106.53 2by3 n GLY 363 Ca 0.09 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 2by3 n GLY 363 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2by3 s TRP 364 N 0.00 1.79 -0.13 1.61 -2.14 -1.24 -4.71 118.94 114.13 2by3 s TRP 364 Ca 0.00 -0.60 -0.26 0.00 2.66 0.00 0.00 56.10 57.91 2by3 s TRP 364 Cb 0.00 -0.88 -0.26 0.00 -3.10 0.00 0.00 33.47 29.23 2by3 s TRP 364 CO 0.00 0.35 0.71 -0.09 -2.66 0.00 0.00 176.95 175.27 2by3 h ARG 365 N 2.48 0.08 -5.76 3.25 2.43 -1.86 -3.45 114.38 111.55 2by3 h ARG 365 Ca -0.39 -0.13 -0.61 0.00 -0.81 0.00 0.00 59.98 58.04 2by3 h ARG 365 Cb 1.23 0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 30.71 2by3 h ARG 365 CO 0.63 1.06 0.35 0.71 -1.51 0.00 0.00 179.97 181.22 2by3 s TYR 366 N -2.30 3.12 -0.12 2.20 2.02 -1.26 -4.85 117.35 116.16 2by3 s TYR 366 Ca -0.19 0.54 0.14 0.00 -0.37 0.00 0.00 57.07 57.20 2by3 s TYR 366 Cb -0.01 -3.37 0.29 0.00 -0.40 0.00 0.00 41.96 38.47 2by3 s TYR 366 CO 0.71 -0.72 1.14 0.39 -1.57 0.00 0.00 175.55 175.51 2by3 n GLU 367 N 6.38 1.03 0.00 -0.62 1.02 -1.20 -3.84 120.64 123.40 2by3 n GLU 367 Ca 0.03 -2.44 0.00 0.00 -0.02 0.00 0.00 57.16 54.73 2by3 n GLU 367 Cb 0.48 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 2by3 n GLU 367 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2by3 n GLY 368 N -0.94 0.99 3.77 0.62 0.00 0.82 -3.39 105.19 107.07 2by3 n GLY 368 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2by3 n GLY 368 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2by3 s GLN 369 N 0.00 1.68 0.12 1.61 0.00 -1.24 -4.12 119.66 117.71 2by3 s GLN 369 Ca 0.00 0.63 -0.31 0.00 -0.00 0.00 0.00 55.36 55.68 2by3 s GLN 369 Cb 0.00 -1.87 -0.08 0.00 0.00 0.00 0.00 33.01 31.05 2by3 s GLN 369 CO 0.00 -1.90 1.44 0.12 0.00 0.00 0.00 175.29 174.95 2by3 s PHE 370 N -3.11 3.16 -0.38 9.60 5.36 -1.26 -1.47 117.98 129.87 2by3 s PHE 370 Ca 0.62 0.85 -0.18 0.00 -0.96 0.00 0.00 56.93 57.26 2by3 s PHE 370 Cb -0.15 -3.74 0.01 0.00 -0.34 0.00 0.00 43.02 38.79 2by3 s PHE 370 CO 0.55 -2.66 0.52 -0.46 -1.46 0.00 0.00 175.22 171.71 2by3 s TRP 371 N 1.23 3.15 -2.13 10.12 -0.11 0.74 -4.87 118.94 127.07 2by3 s TRP 371 Ca 0.66 0.01 0.21 0.00 1.22 0.00 0.00 56.10 58.20 2by3 s TRP 371 Cb -0.38 -3.00 0.55 0.00 -1.50 0.00 0.00 33.47 29.14 2by3 s TRP 371 CO 0.30 -0.64 1.46 0.00 -4.62 0.00 0.00 176.95 173.46 2by3 n ALA 372 N 5.81 2.41 -1.71 5.86 0.00 -1.26 -2.65 120.51 128.97 2by3 n ALA 372 Ca -0.05 -1.06 -0.42 0.00 0.00 0.00 0.00 53.44 51.91 2by3 n ALA 372 Cb 0.48 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 2by3 n ALA 372 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2by3 s VAL 373 N -1.26 2.88 0.21 0.00 1.01 -1.26 -4.86 120.40 117.12 2by3 s VAL 373 Ca 0.42 0.09 -0.32 0.00 0.00 0.00 0.00 61.98 62.16 2by3 s VAL 373 Cb 0.22 -3.06 -0.12 0.00 0.00 0.00 0.00 36.38 33.42 2by3 s VAL 373 CO 0.30 -0.00 1.69 0.29 0.00 0.00 0.00 175.10 177.38 2by3 n LYS 374 N 6.81 2.68 -0.15 2.72 5.02 -1.26 -0.78 118.16 133.19 2by3 n LYS 374 Ca 0.19 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.44 2by3 n LYS 374 Cb 0.40 -2.80 0.00 0.00 -0.02 0.00 0.00 35.03 32.62 2by3 n LYS 374 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2by3 n GLY 375 N 3.77 1.38 0.13 0.72 0.00 -1.26 -4.84 105.19 105.08 2by3 n GLY 375 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.19 2by3 n GLY 375 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2by3 n GLU 376 N -2.00 0.80 -1.90 1.61 1.02 0.04 -5.10 120.64 115.11 2by3 n GLU 376 Ca 0.00 -1.08 -0.42 0.00 -0.02 0.00 0.00 57.16 55.64 2by3 n GLU 376 Cb 0.00 -0.73 -0.03 0.00 -0.02 0.00 0.00 31.44 30.67 2by3 n GLU 376 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2by3 s GLU 377 N -0.56 4.19 0.16 3.49 8.01 -1.12 -4.80 118.70 128.07 2by3 s GLU 377 Ca 0.04 2.36 -0.24 0.00 0.01 0.00 0.00 54.97 57.14 2by3 s GLU 377 Cb 0.03 -3.67 0.07 0.00 -4.31 0.00 0.00 34.13 26.25 2by3 s GLU 377 CO 0.00 -0.77 0.99 -3.38 0.01 0.00 0.00 175.26 172.11 2by3 s HIS 378 N 2.89 -0.07 -0.44 1.61 -3.43 -1.08 -5.01 115.29 109.76 2by3 s HIS 378 Ca 0.75 -0.26 -0.28 0.00 -0.80 0.00 0.00 55.06 54.47 2by3 s HIS 378 Cb -0.40 0.66 0.03 0.00 -1.43 0.00 0.00 32.58 31.43 2by3 s HIS 378 CO 0.33 -0.86 1.06 -1.21 -2.00 0.00 0.00 174.74 172.07 2by3 s GLU 379 N -2.96 3.75 -0.20 -0.38 2.02 -1.26 -0.18 118.70 119.49 2by3 s GLU 379 Ca 0.15 0.57 -0.08 0.00 0.02 0.00 0.00 54.97 55.62 2by3 s GLU 379 Cb -0.02 -3.87 -0.04 0.00 0.10 0.00 0.00 34.13 30.30 2by3 s GLU 379 CO 0.03 -1.23 0.09 0.50 0.02 0.00 0.00 175.26 174.67 2by3 s ARG 380 N 4.09 4.02 0.00 1.61 3.52 -0.54 -4.89 118.95 126.76 2by3 s ARG 380 Ca 0.44 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.73 2by3 s ARG 380 Cb -0.09 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 29.98 2by3 s ARG 380 CO 0.27 0.22 0.00 0.41 -0.81 0.00 0.00 175.30 175.39 2by3 n GLY 381 N 3.72 0.52 3.14 8.12 0.00 -1.22 -0.12 105.19 119.35 2by3 n GLY 381 Ca -0.16 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 43.76 2by3 n GLY 381 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2by3 s HIS 382 N -1.42 0.22 0.22 1.61 3.76 -0.58 -2.45 115.29 116.65 2by3 s HIS 382 Ca 0.00 -0.58 -0.32 0.00 -0.15 0.00 0.00 55.06 54.01 2by3 s HIS 382 Cb 0.00 -0.14 -0.14 0.00 1.11 0.00 0.00 32.58 33.41 2by3 s HIS 382 CO 0.00 -0.42 1.37 -2.30 -0.85 0.00 0.00 174.74 172.54 2by3 n PRO 383 N 0.43 1.86 -0.18 8.40 -0.02 -1.22 -4.44 135.00 139.84 2by3 n PRO 383 Ca -0.17 0.66 0.10 0.00 -2.02 0.00 0.00 63.50 62.07 2by3 n PRO 383 Cb 0.60 -2.30 0.27 0.00 -0.02 0.00 0.00 33.50 32.05 2by3 n PRO 383 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2by3 n SER 384 N 2.20 2.54 -0.31 2.55 3.41 -1.26 -4.60 113.62 118.15 2by3 n SER 384 Ca 0.13 -1.90 0.08 0.00 -0.26 0.00 0.00 58.87 56.92 2by3 n SER 384 Cb 0.30 -0.23 0.29 0.00 -0.26 0.00 0.00 64.21 64.31 2by3 n SER 384 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2by3 h ASP 385 N 3.09 0.82 0.46 4.04 5.19 -1.90 -1.50 116.42 126.62 2by3 h ASP 385 Ca 0.00 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 2by3 h ASP 385 Cb 0.69 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.06 2by3 h ASP 385 CO 0.00 0.45 -0.10 0.00 -3.12 0.00 0.00 179.24 176.47 2by3 h ALA 386 N 1.56 1.19 -2.55 3.45 0.00 -2.00 -3.44 119.26 117.46 2by3 h ALA 386 Ca 0.45 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.74 2by3 h ALA 386 Cb 0.50 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2by3 h ALA 386 CO -0.21 0.13 0.06 -0.51 0.00 0.00 0.00 179.25 178.72 2by3 s LEU 387 N -6.96 4.35 0.28 0.00 1.43 -0.57 -5.08 118.68 112.13 2by3 s LEU 387 Ca -0.02 1.34 0.07 0.00 -1.03 0.00 0.00 54.13 54.49 2by3 s LEU 387 Cb 0.12 -3.50 -0.03 0.00 0.03 0.00 0.00 46.19 42.81 2by3 s LEU 387 CO 0.56 0.05 0.30 -0.70 0.23 0.00 0.00 176.35 176.79 2by3 s GLU 388 N -1.95 3.01 0.23 1.70 2.56 -1.26 -4.98 118.70 118.01 2by3 s GLU 388 Ca 0.42 -1.05 -0.08 0.00 0.00 0.00 0.00 54.97 54.25 2by3 s GLU 388 Cb -0.16 -2.64 0.38 0.00 2.00 0.00 0.00 34.13 33.71 2by3 s GLU 388 CO 0.21 0.28 1.64 0.00 -0.56 0.00 0.00 175.26 176.83 2by3 h ALA 389 N 1.27 0.72 0.00 6.30 0.00 -1.88 -0.22 119.26 125.45 2by3 h ALA 389 Ca -0.48 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2by3 h ALA 389 Cb 1.24 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 2by3 h ALA 389 CO 0.59 -0.41 -0.07 -1.35 0.00 0.00 0.00 179.25 178.01 2by3 h PRO 390 N 0.11 0.00 0.00 0.00 0.11 -1.77 -2.53 132.00 127.92 2by3 h PRO 390 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 2by3 h PRO 390 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 2by3 h PRO 390 CO -0.62 0.07 0.00 -0.91 -0.21 0.00 0.00 178.00 176.33 2by3 h ASN 391 N 0.00 0.00 -3.48 -2.05 2.35 -1.26 -3.39 115.58 107.74 2by3 h ASN 391 Ca -0.00 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.15 2by3 h ASN 391 Cb 0.22 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.47 2by3 h ASN 391 CO 0.01 0.00 -0.24 -0.36 -1.65 0.00 0.00 177.43 175.19 2by3 s PHE 392 N -3.94 3.37 -0.26 1.19 0.08 -0.95 -0.35 117.98 117.12 2by3 s PHE 392 Ca -0.02 0.57 -0.11 0.00 0.12 0.00 0.00 56.93 57.49 2by3 s PHE 392 Cb 0.11 -2.49 -0.05 0.00 -0.57 0.00 0.00 43.02 40.03 2by3 s PHE 392 CO 0.47 0.01 0.17 0.08 -0.10 0.00 0.00 175.22 175.85 2by3 s VAL 393 N 1.24 5.29 0.10 -0.44 1.01 -0.16 -1.34 120.40 126.09 2by3 s VAL 393 Ca 0.17 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.38 2by3 s VAL 393 Cb -0.14 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 2by3 s VAL 393 CO 0.07 0.29 -0.07 -0.31 0.00 0.00 0.00 175.10 175.09 2by3 s TYR 394 N 1.50 2.83 0.18 5.22 1.51 -0.16 -2.08 117.35 126.35 2by3 s TYR 394 Ca 0.07 -0.11 -0.14 0.00 -1.01 0.00 0.00 57.07 55.88 2by3 s TYR 394 Cb -0.15 -1.47 0.02 0.00 -0.11 0.00 0.00 41.96 40.24 2by3 s TYR 394 CO 0.08 0.44 0.42 0.00 -1.11 0.00 0.00 175.55 175.39 2by3 n ILE 396 N -0.28 0.00 -3.72 0.00 -5.35 -1.26 -3.78 119.36 104.96 2by3 n ILE 396 Ca -0.10 -0.30 -0.13 0.00 -0.27 0.00 0.00 62.75 61.95 2by3 n ILE 396 Cb 0.63 1.09 -0.10 0.00 -1.74 0.00 0.00 39.64 39.52 2by3 n ILE 396 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2by3 s GLN 397 N -1.87 0.52 0.30 6.28 -1.52 -1.26 -4.89 119.66 117.22 2by3 s GLN 397 Ca 0.09 0.59 -0.06 0.00 -1.95 0.00 0.00 55.36 54.02 2by3 s GLN 397 Cb 0.10 0.25 0.03 0.00 -0.22 0.00 0.00 33.01 33.17 2by3 s GLN 397 CO 0.41 -0.07 0.51 0.27 -0.25 0.00 0.00 175.29 176.17 2by3 n ASN 398 N 2.80 -1.46 -0.37 5.90 0.23 -1.26 -3.98 115.26 117.11 2by3 n ASN 398 Ca -0.13 -2.42 0.01 0.00 -0.53 0.00 0.00 54.58 51.51 2by3 n ASN 398 Cb 0.57 2.56 0.16 0.00 -2.08 0.00 0.00 39.78 40.98 2by3 n ASN 398 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 2by3 h HIS 399 N 1.81 1.22 -0.01 -2.53 2.07 -1.98 -2.12 115.15 113.62 2by3 h HIS 399 Ca -0.24 0.03 -0.25 0.00 -2.85 0.00 0.00 60.37 57.05 2by3 h HIS 399 Cb 0.98 -0.41 0.01 0.00 2.57 0.00 0.00 27.41 30.57 2by3 h HIS 399 CO 0.00 0.67 -0.99 -0.44 -3.07 0.00 0.00 177.93 174.10 2by3 h ASP 400 N 1.23 0.80 0.64 3.10 3.32 -1.97 0.18 116.42 123.73 2by3 h ASP 400 Ca 0.42 -0.63 0.00 0.00 0.02 0.00 0.00 57.03 56.84 2by3 h ASP 400 Cb 0.08 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.39 2by3 h ASP 400 CO -0.15 1.43 -0.00 0.00 -1.72 0.00 0.00 179.24 178.80 2by3 n GLN 401 N -3.83 0.36 -0.12 3.56 1.13 -0.93 -1.08 117.38 116.47 2by3 n GLN 401 Ca -0.09 -0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.74 2by3 n GLN 401 Cb 0.86 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.63 2by3 n GLN 401 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 2by3 n ILE 402 N -1.32 1.45 0.31 5.09 5.41 -0.84 -4.73 119.36 124.74 2by3 n ILE 402 Ca 0.13 -0.21 0.15 0.00 1.00 0.00 0.00 62.75 63.82 2by3 n ILE 402 Cb 0.26 -1.99 0.55 0.00 -0.71 0.00 0.00 39.64 37.75 2by3 n ILE 402 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2by3 h GLY 403 N -0.94 0.00 2.00 7.39 0.00 -0.57 -2.85 103.07 108.10 2by3 h GLY 403 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2by3 h GLY 403 CO -0.28 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.42 2by3 n ASN 404 N -2.87 0.13 -4.80 0.19 0.23 -0.24 -4.07 115.26 103.83 2by3 n ASN 404 Ca 0.02 0.52 -0.36 0.00 -0.53 0.00 0.00 54.58 54.23 2by3 n ASN 404 Cb 0.33 -0.55 -0.06 0.00 -2.08 0.00 0.00 39.78 37.42 2by3 n ASN 404 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2by3 s ARG 405 N -3.03 4.37 0.27 -3.83 0.52 -1.08 -4.96 118.95 111.21 2by3 s ARG 405 Ca 0.12 1.07 -0.02 0.00 -0.52 0.00 0.00 55.73 56.39 2by3 s ARG 405 Cb 0.16 -2.74 0.59 0.00 0.52 0.00 0.00 34.95 33.49 2by3 s ARG 405 CO 0.48 0.28 1.65 -1.35 0.02 0.00 0.00 175.30 176.39 2by3 h PRO 406 N 3.06 0.20 -0.32 3.54 0.11 -1.89 -1.22 132.00 135.49 2by3 h PRO 406 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2by3 h PRO 406 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2by3 h PRO 406 CO 0.65 0.13 0.00 1.28 -0.21 0.00 0.00 178.00 179.85 2by3 n LEU 407 N -5.23 2.98 -2.64 2.35 4.77 -1.26 -4.38 117.00 113.59 2by3 n LEU 407 Ca 0.18 -1.59 -0.21 0.00 -0.03 0.00 0.00 56.01 54.36 2by3 n LEU 407 Cb 0.58 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.48 2by3 n LEU 407 CO 0.07 0.67 -0.17 0.61 -1.33 0.00 0.00 177.39 177.25 2by3 n GLY 408 N 0.99 -0.51 3.81 -0.72 0.00 -0.46 -4.76 105.19 103.53 2by3 n GLY 408 Ca 0.14 0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2by3 n GLY 408 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2by3 s GLU 409 N -5.30 4.34 0.74 1.61 1.03 -1.26 -0.74 118.70 119.12 2by3 s GLU 409 Ca 0.12 1.05 -0.12 0.00 0.03 0.00 0.00 54.97 56.05 2by3 s GLU 409 Cb -0.05 -2.67 0.03 0.00 -0.80 0.00 0.00 34.13 30.64 2by3 s GLU 409 CO 0.14 0.25 1.11 1.03 -1.33 0.00 0.00 175.26 176.47 2by3 s ARG 410 N -2.34 2.58 0.19 -4.83 0.52 -1.26 -4.72 118.95 109.08 2by3 s ARG 410 Ca 0.50 0.40 -0.12 0.00 -0.52 0.00 0.00 55.73 55.99 2by3 s ARG 410 Cb -0.15 -1.99 0.15 0.00 0.52 0.00 0.00 34.95 33.47 2by3 s ARG 410 CO 0.20 -1.22 1.80 1.25 0.02 0.00 0.00 175.30 177.35 2by3 h LEU 411 N -0.79 0.44 -0.21 2.53 5.85 -1.93 0.54 115.31 121.74 2by3 h LEU 411 Ca -0.45 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2by3 h LEU 411 Cb 1.27 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2by3 h LEU 411 CO 0.64 0.30 0.00 0.00 -0.34 0.00 0.00 178.44 179.04 2by3 n HIS 412 N -4.84 0.22 0.30 1.25 1.44 -1.26 -2.37 115.22 109.96 2by3 n HIS 412 Ca 0.05 0.09 0.12 0.00 -2.01 0.00 0.00 57.72 55.97 2by3 n HIS 412 Cb 0.13 -0.64 0.06 0.00 0.12 0.00 0.00 29.99 29.65 2by3 n HIS 412 CO 0.00 0.00 0.00 1.96 -2.81 0.00 0.00 176.34 175.49 2by3 h GLN 413 N 0.00 0.00 -7.12 -1.40 4.20 -1.22 -3.46 115.11 106.12 2by3 h GLN 413 Ca 0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 2by3 h GLN 413 Cb 0.26 0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.12 2by3 h GLN 413 CO 0.00 0.00 0.42 -1.12 -0.67 0.00 0.00 178.83 177.46 2by3 s SER 414 N -4.87 5.55 0.11 1.46 0.01 -1.00 -4.87 113.70 110.10 2by3 s SER 414 Ca 0.02 2.13 -0.32 0.00 1.31 0.00 0.00 55.95 59.09 2by3 s SER 414 Cb 0.11 -2.57 -0.12 0.00 0.21 0.00 0.00 66.02 63.65 2by3 s SER 414 CO 0.77 -1.33 1.79 0.47 0.41 0.00 0.00 173.24 175.34 2by3 n ASP 415 N -1.59 3.79 0.00 2.44 8.00 -1.26 -2.30 116.55 125.63 2by3 n ASP 415 Ca 0.11 1.01 0.00 0.00 0.71 0.00 0.00 54.79 56.62 2by3 n ASP 415 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 2by3 n ASP 415 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2by3 n GLY 416 N 4.08 2.95 3.69 0.44 0.00 -1.26 -4.87 105.19 110.23 2by3 n GLY 416 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2by3 n GLY 416 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2by3 s VAL 417 N -2.35 2.66 0.42 1.61 1.01 -0.97 -5.00 120.40 117.78 2by3 s VAL 417 Ca 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 2by3 s VAL 417 Cb 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2by3 s VAL 417 CO 0.00 -0.00 0.71 0.42 0.00 0.00 0.00 175.10 176.23 2by3 s THR 418 N 2.91 4.94 0.47 3.92 -4.23 -1.26 -4.83 115.64 117.57 2by3 s THR 418 Ca 0.81 0.12 0.16 0.00 -1.18 0.00 0.00 61.69 61.59 2by3 s THR 418 Cb -0.45 -3.83 0.22 0.00 1.34 0.00 0.00 72.50 69.78 2by3 s THR 418 CO 0.36 -0.67 2.05 -0.07 -0.54 0.00 0.00 174.62 175.75 2by3 h LEU 419 N 0.68 0.00 -0.42 4.79 3.38 -1.94 -0.23 115.31 121.55 2by3 h LEU 419 Ca -0.48 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 2by3 h LEU 419 Cb 1.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 2by3 h LEU 419 CO 0.62 0.12 0.10 0.45 0.09 0.00 0.00 178.44 179.82 2by3 h HIS 420 N 0.00 0.72 -0.61 1.13 3.86 -1.90 -0.25 115.15 118.10 2by3 h HIS 420 Ca -0.00 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 2by3 h HIS 420 Cb 0.22 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 2by3 h HIS 420 CO 0.00 0.68 0.27 0.93 0.86 0.00 0.00 177.93 180.67 2by3 h GLU 421 N 0.55 0.89 -0.68 2.45 5.08 -1.50 0.01 114.58 121.38 2by3 h GLU 421 Ca 0.13 -0.15 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 2by3 h GLU 421 Cb 0.33 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 2by3 h GLU 421 CO 0.00 0.74 0.35 -0.92 -1.00 0.00 0.00 179.01 178.18 2by3 h TYR 422 N 0.84 0.64 -0.29 4.33 3.20 -0.85 -0.69 116.97 124.14 2by3 h TYR 422 Ca 0.21 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.96 2by3 h TYR 422 Cb 0.16 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 2by3 h TYR 422 CO 0.01 0.27 -0.39 0.00 -1.64 0.00 0.00 178.16 176.40 2by3 h ARG 423 N 0.63 0.70 -0.80 1.82 3.08 -0.69 -2.30 114.38 116.82 2by3 h ARG 423 Ca 0.32 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2by3 h ARG 423 Cb 0.27 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 2by3 h ARG 423 CO -0.22 0.97 0.49 0.78 -1.07 0.00 0.00 179.97 180.92 2by3 h GLY 424 N 0.96 1.16 1.02 0.04 0.00 -0.59 -2.29 103.07 103.37 2by3 h GLY 424 Ca 0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 2by3 h GLY 424 CO 0.08 0.46 0.54 0.00 0.00 0.00 0.00 176.54 177.62 2by3 h ALA 425 N 1.27 1.18 -0.84 3.60 0.00 -0.88 -1.27 119.26 122.33 2by3 h ALA 425 Ca 0.29 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2by3 h ALA 425 Cb -0.06 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.32 2by3 h ALA 425 CO -0.06 0.66 0.42 0.00 0.00 0.00 0.00 179.25 180.27 2by3 h ALA 426 N 1.30 1.08 -0.63 0.00 0.00 -1.11 -0.61 119.26 119.29 2by3 h ALA 426 Ca 0.33 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2by3 h ALA 426 Cb -0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 2by3 h ALA 426 CO -0.06 0.63 0.10 0.00 0.00 0.00 0.00 179.25 179.92 2by3 h ALA 427 N 1.22 0.84 0.54 0.00 0.00 -0.78 0.69 119.26 121.78 2by3 h ALA 427 Ca 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2by3 h ALA 427 Cb 0.10 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.65 2by3 h ALA 427 CO -0.04 0.60 -0.26 1.25 0.00 0.00 0.00 179.25 180.80 2by3 h LEU 428 N 0.96 -0.62 -0.59 0.00 5.85 -0.96 -2.16 115.31 117.78 2by3 h LEU 428 Ca 0.19 0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.01 2by3 h LEU 428 Cb 0.44 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.56 2by3 h LEU 428 CO 0.01 -0.44 0.24 0.25 -0.34 0.00 0.00 178.44 178.16 2by3 h LEU 429 N -0.73 0.27 -0.30 2.25 5.85 -0.95 -2.67 115.31 119.03 2by3 h LEU 429 Ca -0.07 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2by3 h LEU 429 Cb 0.56 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2by3 h LEU 429 CO 0.12 0.17 -0.19 0.18 -0.34 0.00 0.00 178.44 178.38 2by3 n LEU 430 N -4.96 0.65 -0.08 2.25 4.77 0.22 -3.14 117.00 116.71 2by3 n LEU 430 Ca 0.08 -0.07 0.09 0.00 -0.03 0.00 0.00 56.01 56.08 2by3 n LEU 430 Cb 0.24 -0.18 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 2by3 n LEU 430 CO 0.24 0.12 0.01 0.35 -1.33 0.00 0.00 177.39 176.79 2by3 n THR 431 N -0.91 0.00 -2.19 -5.08 -2.24 -0.82 -4.70 114.28 98.34 2by3 n THR 431 Ca 0.13 -0.11 -0.33 0.00 -2.27 0.00 0.00 64.05 61.46 2by3 n THR 431 Cb 0.31 1.04 -0.00 0.00 -2.10 0.00 0.00 70.33 69.58 2by3 n THR 431 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2by3 s LEU 432 N -2.75 3.61 -1.43 3.22 1.43 -1.06 -4.99 118.68 116.71 2by3 s LEU 432 Ca 0.08 1.88 -0.12 0.00 -1.03 0.00 0.00 54.13 54.94 2by3 s LEU 432 Cb 0.14 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.77 2by3 s LEU 432 CO 0.70 -1.08 2.53 -0.81 0.23 0.00 0.00 176.35 177.93 2by3 n PRO 433 N -1.70 3.07 -4.00 1.29 -0.04 -1.26 -4.90 135.00 127.46 2by3 n PRO 433 Ca 0.09 -2.25 -0.34 0.00 -0.04 0.00 0.00 63.50 60.96 2by3 n PRO 433 Cb 0.53 -2.95 -0.15 0.00 -0.04 0.00 0.00 33.50 30.88 2by3 n PRO 433 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2by3 s THR 435 N 2.88 2.72 0.38 0.52 2.01 -0.45 -3.99 115.64 119.70 2by3 s THR 435 Ca 0.58 -0.94 -0.06 0.00 0.31 0.00 0.00 61.69 61.58 2by3 s THR 435 Cb 0.15 -2.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 2by3 s THR 435 CO -0.06 0.31 0.67 -2.16 -0.69 0.00 0.00 174.62 172.69 2by3 s PRO 436 N 1.33 3.62 -0.02 4.92 0.04 -1.26 -0.99 135.00 142.64 2by3 s PRO 436 Ca 0.02 0.12 0.02 0.00 0.04 0.00 0.00 61.00 61.20 2by3 s PRO 436 Cb -0.15 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.88 2by3 s PRO 436 CO -0.06 0.03 -0.06 -1.17 0.04 0.00 0.00 177.00 175.78 2by3 s LEU 437 N -4.04 1.78 0.13 -3.56 0.20 -0.11 -1.11 118.68 111.97 2by3 s LEU 437 Ca 0.46 -0.12 0.07 0.00 0.69 0.00 0.00 54.13 55.23 2by3 s LEU 437 Cb -0.10 -0.38 -0.04 0.00 -0.43 0.00 0.00 46.19 45.24 2by3 s LEU 437 CO 0.35 0.04 -0.07 -0.76 -0.29 0.00 0.00 176.35 175.62 2by3 s LEU 438 N 0.20 3.13 -0.07 -0.68 1.43 0.34 -4.38 118.68 118.66 2by3 s LEU 438 Ca -0.02 -0.41 -0.03 0.00 -1.03 0.00 0.00 54.13 52.64 2by3 s LEU 438 Cb -0.07 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 2by3 s LEU 438 CO -0.00 0.14 0.08 0.12 0.23 0.00 0.00 176.35 176.92 2by3 s PHE 439 N -1.44 3.37 0.14 0.29 5.36 -1.26 -0.48 117.98 123.96 2by3 s PHE 439 Ca 0.24 0.32 -0.34 0.00 -0.96 0.00 0.00 56.93 56.19 2by3 s PHE 439 Cb -0.10 -1.82 -0.17 0.00 -0.34 0.00 0.00 43.02 40.59 2by3 s PHE 439 CO 0.16 0.59 1.10 0.00 -1.46 0.00 0.00 175.22 175.62 2by3 n GLN 440 N 1.70 0.86 0.00 10.12 10.64 -0.03 -0.79 117.38 139.89 2by3 n GLN 440 Ca -0.17 0.31 0.00 0.00 -1.83 0.00 0.00 57.00 55.31 2by3 n GLN 440 Cb 0.54 -1.77 0.00 0.00 -0.86 0.00 0.00 30.24 28.14 2by3 n GLN 440 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2by3 n GLY 441 N 1.99 2.69 0.25 2.61 0.00 -1.26 -4.88 105.19 106.59 2by3 n GLY 441 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.28 2by3 n GLY 441 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2by3 h GLN 442 N 2.17 0.00 0.00 1.61 3.07 -1.36 -1.64 115.11 118.95 2by3 h GLN 442 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2by3 h GLN 442 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2by3 h GLN 442 CO 0.00 0.13 0.00 1.05 0.09 0.00 0.00 178.83 180.10 2by3 h GLU 443 N 0.00 0.00 -0.05 0.06 9.09 -1.90 -2.43 114.58 119.35 2by3 h GLU 443 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2by3 h GLU 443 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 2by3 h GLU 443 CO 0.02 0.00 0.00 -2.67 0.05 0.00 0.00 179.01 176.41 2by3 n TRP 444 N -2.76 0.18 -3.72 2.06 2.14 -0.96 -2.30 117.44 112.08 2by3 n TRP 444 Ca -0.00 -0.94 -0.25 0.00 2.07 0.00 0.00 57.50 58.38 2by3 n TRP 444 Cb 0.20 -0.17 0.03 0.00 -0.81 0.00 0.00 31.31 30.56 2by3 n TRP 444 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2by3 n ALA 445 N -1.18 -2.23 -1.51 -1.67 0.00 -0.92 -4.29 120.51 108.70 2by3 n ALA 445 Ca 0.16 -0.19 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 2by3 n ALA 445 Cb 0.66 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 17.26 2by3 n ALA 445 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2by3 n ALA 446 N -4.20 -0.95 0.94 0.00 0.00 -0.66 -4.88 120.51 110.75 2by3 n ALA 446 Ca -0.22 0.25 0.13 0.00 0.00 0.00 0.00 53.44 53.60 2by3 n ALA 446 Cb 0.65 -1.88 0.42 0.00 0.00 0.00 0.00 19.45 18.63 2by3 n ALA 446 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2by3 n SER 447 N 1.14 0.32 -4.88 0.00 3.41 -1.26 -4.87 113.62 107.47 2by3 n SER 447 Ca 0.11 0.17 -0.33 0.00 -0.26 0.00 0.00 58.87 58.56 2by3 n SER 447 Cb 0.37 -0.16 -0.05 0.00 -0.26 0.00 0.00 64.21 64.11 2by3 n SER 447 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2by3 s THR 448 N -3.02 5.11 0.92 6.66 -4.23 -1.26 -5.07 115.64 114.76 2by3 s THR 448 Ca 0.12 0.25 -0.15 0.00 -1.18 0.00 0.00 61.69 60.74 2by3 s THR 448 Cb 0.17 -3.63 0.16 0.00 1.34 0.00 0.00 72.50 70.55 2by3 s THR 448 CO 0.62 0.13 1.24 -2.16 -0.54 0.00 0.00 174.62 173.91 2by3 s PRO 449 N -2.36 0.99 -0.39 3.99 0.04 -1.26 -4.79 135.00 131.22 2by3 s PRO 449 Ca 0.38 -0.14 0.02 0.00 0.04 0.00 0.00 61.00 61.31 2by3 s PRO 449 Cb -0.13 -1.86 0.11 0.00 0.04 0.00 0.00 34.50 32.66 2by3 s PRO 449 CO 0.21 -2.22 0.14 0.12 0.04 0.00 0.00 177.00 175.29 2by3 s PHE 450 N -3.66 2.74 0.32 0.56 5.36 0.08 -4.33 117.98 119.06 2by3 s PHE 450 Ca 0.69 -2.58 0.02 0.00 -0.96 0.00 0.00 56.93 54.09 2by3 s PHE 450 Cb -0.08 -2.37 -0.03 0.00 -0.34 0.00 0.00 43.02 40.20 2by3 s PHE 450 CO 0.52 -0.86 0.51 -0.65 -1.46 0.00 0.00 175.22 173.28 2by3 s GLN 451 N 0.76 3.47 -0.14 10.12 -0.21 -1.26 -3.38 119.66 129.02 2by3 s GLN 451 Ca 0.13 -0.43 -0.29 0.00 0.02 0.00 0.00 55.36 54.78 2by3 s GLN 451 Cb -0.21 -2.71 -0.02 0.00 1.00 0.00 0.00 33.01 31.07 2by3 s GLN 451 CO -0.09 0.21 1.18 0.12 -2.12 0.00 0.00 175.29 174.58 2by3 s PHE 452 N -2.25 3.10 0.08 0.91 5.36 -1.26 -4.96 117.98 118.97 2by3 s PHE 452 Ca 0.39 1.21 0.06 0.00 -0.96 0.00 0.00 56.93 57.62 2by3 s PHE 452 Cb -0.09 -3.41 -0.03 0.00 -0.34 0.00 0.00 43.02 39.15 2by3 s PHE 452 CO 0.34 -1.24 -0.15 -0.59 -1.46 0.00 0.00 175.22 172.13 2by3 s PHE 453 N 2.90 1.32 0.31 10.12 -0.12 -1.26 -4.18 117.98 127.07 2by3 s PHE 453 Ca 0.53 -0.47 -0.09 0.00 -0.05 0.00 0.00 56.93 56.85 2by3 s PHE 453 Cb -0.21 -0.73 0.01 0.00 -0.63 0.00 0.00 43.02 41.46 2by3 s PHE 453 CO 0.16 0.09 0.54 -1.54 -0.05 0.00 0.00 175.22 174.41 2by3 s SER 454 N -1.85 0.35 -0.34 1.98 1.04 0.58 -3.92 113.70 111.55 2by3 s SER 454 Ca 0.00 -1.20 0.15 0.00 0.48 0.00 0.00 55.95 55.39 2by3 s SER 454 Cb -0.09 0.67 0.44 0.00 0.10 0.00 0.00 66.02 67.13 2by3 s SER 454 CO 0.03 -1.31 1.22 -0.67 0.98 0.00 0.00 173.24 173.49 2by3 n ASP 455 N -1.00 -0.16 -4.80 7.02 2.03 -1.22 -4.09 116.55 114.34 2by3 n ASP 455 Ca -0.02 -2.41 -0.33 0.00 0.52 0.00 0.00 54.79 52.56 2by3 n ASP 455 Cb 0.61 0.20 0.03 0.00 -0.72 0.00 0.00 41.12 41.24 2by3 n ASP 455 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2by3 s HIS 456 N -1.57 2.90 0.46 -0.67 3.76 -1.26 -3.89 115.29 115.01 2by3 s HIS 456 Ca 0.22 1.51 -0.09 0.00 -0.15 0.00 0.00 55.06 56.55 2by3 s HIS 456 Cb 0.41 -3.04 -0.05 0.00 1.11 0.00 0.00 32.58 31.01 2by3 s HIS 456 CO -0.05 -1.29 0.81 0.00 -0.85 0.00 0.00 174.74 173.37 2by3 s ALA 457 N -2.49 3.32 0.00 -1.40 0.00 -1.26 -4.01 121.76 115.92 2by3 s ALA 457 Ca 0.64 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.34 2by3 s ALA 457 Cb -0.17 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.22 2by3 s ALA 457 CO 0.40 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.38 2by3 n GLY 458 N -1.74 2.75 0.24 0.00 0.00 -1.26 -1.66 105.19 103.52 2by3 n GLY 458 Ca 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 2by3 n GLY 458 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2by3 h GLU 459 N 0.00 0.45 -0.53 1.61 5.08 -2.00 -2.51 114.58 116.69 2by3 h GLU 459 Ca 0.00 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 2by3 h GLU 459 Cb 0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2by3 h GLU 459 CO 0.00 0.64 0.26 1.25 -1.00 0.00 0.00 179.01 180.16 2by3 h LEU 460 N 0.41 0.69 -0.55 1.33 5.85 -1.86 -0.50 115.31 120.67 2by3 h LEU 460 Ca 0.07 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.70 2by3 h LEU 460 Cb 0.59 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 2by3 h LEU 460 CO 0.04 0.61 0.31 1.23 -0.34 0.00 0.00 178.44 180.29 2by3 h GLY 461 N 0.71 0.78 1.54 3.75 0.00 -0.94 -1.37 103.07 107.55 2by3 h GLY 461 Ca 0.18 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 2by3 h GLY 461 CO -0.02 0.17 0.08 1.46 0.00 0.00 0.00 176.54 178.22 2by3 h GLN 462 N 0.60 0.58 -0.40 4.80 4.20 -1.05 -2.33 115.11 121.51 2by3 h GLN 462 Ca 0.23 -0.10 -0.15 0.00 0.06 0.00 0.00 58.65 58.69 2by3 h GLN 462 Cb 0.09 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2by3 h GLN 462 CO -0.13 0.55 -0.34 0.00 -0.67 0.00 0.00 178.83 178.23 2by3 h ALA 463 N 1.53 0.63 -0.21 3.87 0.00 -0.68 -1.09 119.26 123.31 2by3 h ALA 463 Ca 0.13 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2by3 h ALA 463 Cb 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2by3 h ALA 463 CO -0.00 0.68 0.14 0.28 0.00 0.00 0.00 179.25 180.34 2by3 h VAL 464 N 0.77 1.07 0.06 0.00 2.07 -0.89 0.35 116.25 119.68 2by3 h VAL 464 Ca 0.07 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2by3 h VAL 464 Cb 0.93 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 2by3 h VAL 464 CO 0.09 0.07 -0.06 0.28 0.02 0.00 0.00 177.57 177.97 2by3 h SER 465 N 0.28 -0.15 -0.63 0.57 0.02 -1.30 -0.75 113.55 111.59 2by3 h SER 465 Ca 0.08 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2by3 h SER 465 Cb -0.00 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 2by3 h SER 465 CO -0.02 -0.09 0.39 -0.08 -1.14 0.00 0.00 176.83 175.89 2by3 h GLU 466 N -0.14 0.76 -1.01 3.45 4.57 -1.06 -2.25 114.58 118.90 2by3 h GLU 466 Ca 0.00 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.19 2by3 h GLU 466 Cb 0.13 -0.17 -0.06 0.00 -0.16 0.00 0.00 28.75 28.48 2by3 h GLU 466 CO -0.01 0.50 0.65 0.78 -1.18 0.00 0.00 179.01 179.75 2by3 h GLY 467 N 0.78 1.51 1.11 1.92 0.00 0.09 -2.08 103.07 106.39 2by3 h GLY 467 Ca 0.25 -0.49 -0.18 0.00 0.00 0.00 0.00 47.33 46.91 2by3 h GLY 467 CO -0.09 0.38 -0.55 -0.09 0.00 0.00 0.00 176.54 176.18 2by3 h ARG 468 N 1.22 0.82 0.18 4.80 9.65 -0.67 -2.13 114.38 128.25 2by3 h ARG 468 Ca 0.42 -0.55 -0.01 0.00 -1.10 0.00 0.00 59.98 58.75 2by3 h ARG 468 Cb 0.10 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 2by3 h ARG 468 CO -0.15 1.17 -0.09 -0.22 2.80 0.00 0.00 179.97 183.48 2by3 h LYS 469 N 0.59 -0.23 -0.65 0.20 3.64 -1.20 -3.17 116.57 115.74 2by3 h LYS 469 Ca 0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2by3 h LYS 469 Cb 1.16 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 2by3 h LYS 469 CO 0.12 -0.12 0.31 0.87 -2.27 0.00 0.00 179.45 178.36 2by3 h LYS 470 N -0.29 0.93 -0.97 1.90 1.57 -1.41 -3.06 116.57 115.25 2by3 h LYS 470 Ca -0.02 -0.14 0.15 0.00 -1.87 0.00 0.00 60.65 58.77 2by3 h LYS 470 Cb 0.22 -0.17 -0.08 0.00 0.08 0.00 0.00 32.23 32.28 2by3 h LYS 470 CO 0.04 0.75 0.61 1.49 -0.57 0.00 0.00 179.45 181.77 2by3 h GLU 471 N 0.89 0.78 0.00 3.15 4.81 -1.36 -3.52 114.58 119.34 2by3 h GLU 471 Ca 0.22 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2by3 h GLU 471 Cb 0.12 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2by3 h GLU 471 CO -0.03 0.52 0.00 1.19 -0.73 0.00 0.00 179.01 179.96 2by3 n PHE 472 N -4.63 0.00 -3.06 0.92 3.01 -1.16 -5.12 117.46 107.42 2by3 n PHE 472 Ca 0.20 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.28 2by3 n PHE 472 Cb 0.47 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.88 2by3 n PHE 472 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2by3 s ASP 482 N 0.05 7.18 0.04 4.37 1.01 -1.26 -5.01 116.67 123.04 2by3 s ASP 482 Ca 0.00 1.50 -0.30 0.00 0.71 0.00 0.00 52.55 54.46 2by3 s ASP 482 Cb 0.00 -2.45 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 2by3 s ASP 482 CO 0.00 0.10 1.22 -0.69 0.21 0.00 0.00 175.17 176.01 2by3 s VAL 483 N -1.38 4.02 0.27 -1.27 1.01 -1.26 -4.98 120.40 116.81 2by3 s VAL 483 Ca 0.40 1.44 -0.30 0.00 0.00 0.00 0.00 61.98 63.52 2by3 s VAL 483 Cb -0.19 -3.92 -0.10 0.00 0.00 0.00 0.00 36.38 32.17 2by3 s VAL 483 CO 0.23 0.08 1.40 -2.16 0.00 0.00 0.00 175.10 174.65 2by3 s PRO 484 N 1.37 4.29 -0.12 2.72 0.04 -1.26 -4.92 135.00 137.13 2by3 s PRO 484 Ca 0.59 2.27 -0.29 0.00 0.04 0.00 0.00 61.00 63.60 2by3 s PRO 484 Cb -0.29 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 2by3 s PRO 484 CO 0.28 -0.36 1.51 0.34 0.04 0.00 0.00 177.00 178.81 2by3 s ASP 485 N 0.16 6.72 0.60 6.66 -1.08 -1.26 -4.89 116.67 123.59 2by3 s ASP 485 Ca 0.57 1.95 0.31 0.00 -0.52 0.00 0.00 52.55 54.86 2by3 s ASP 485 Cb -0.41 -2.53 1.90 0.00 -1.46 0.00 0.00 42.92 40.41 2by3 s ASP 485 CO 0.45 -0.92 2.27 1.55 0.52 0.00 0.00 175.17 179.05 2by3 h PRO 486 N 9.26 0.00 0.00 4.34 0.13 -1.91 -1.68 132.00 142.13 2by3 h PRO 486 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2by3 h PRO 486 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2by3 h PRO 486 CO 0.97 0.00 -0.24 1.04 -0.23 0.00 0.00 178.00 179.54 2by3 n GLN 487 N -3.76 0.15 -2.36 0.86 1.13 -1.26 -0.31 117.38 111.83 2by3 n GLN 487 Ca -0.03 0.08 -0.42 0.00 -1.94 0.00 0.00 57.00 54.69 2by3 n GLN 487 Cb 0.08 -1.63 -0.03 0.00 0.11 0.00 0.00 30.24 28.77 2by3 n GLN 487 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2by3 s ALA 488 N -3.07 3.44 0.38 -1.58 0.00 -0.63 -4.84 121.76 115.46 2by3 s ALA 488 Ca 0.11 0.91 0.16 0.00 0.00 0.00 0.00 51.96 53.14 2by3 s ALA 488 Cb 0.15 -3.47 1.03 0.00 0.00 0.00 0.00 23.12 20.84 2by3 s ALA 488 CO 0.63 -0.47 1.79 0.93 0.00 0.00 0.00 175.76 178.63 2by3 h GLU 489 N 6.79 0.45 -0.60 0.00 5.08 -1.89 -1.39 114.58 123.02 2by3 h GLU 489 Ca -0.42 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 57.93 2by3 h GLU 489 Cb 1.21 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 2by3 h GLU 489 CO 0.82 0.30 0.40 0.37 -1.00 0.00 0.00 179.01 179.90 2by3 h GLN 490 N 0.46 0.76 -0.66 2.33 5.75 -1.92 -0.89 115.11 120.94 2by3 h GLN 490 Ca 0.57 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.96 2by3 h GLN 490 Cb 1.33 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.68 2by3 h GLN 490 CO -0.29 0.50 0.15 1.15 -2.65 0.00 0.00 178.83 177.69 2by3 h THR 491 N 0.79 1.25 -0.06 2.39 2.02 -1.51 0.25 112.91 118.04 2by3 h THR 491 Ca 0.23 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 2by3 h THR 491 Cb -0.04 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2by3 h THR 491 CO -0.05 0.36 -0.01 0.15 0.37 0.00 0.00 175.52 176.33 2by3 h PHE 492 N 0.99 0.12 -0.40 3.16 3.57 -1.41 -3.14 116.94 119.84 2by3 h PHE 492 Ca 0.21 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 2by3 h PHE 492 Cb 0.36 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2by3 h PHE 492 CO 0.03 0.43 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.46 2by3 h LEU 493 N -0.22 0.60 -0.79 0.59 3.38 -0.90 -1.49 115.31 116.49 2by3 h LEU 493 Ca 0.02 -0.13 0.19 0.00 0.09 0.00 0.00 57.88 58.05 2by3 h LEU 493 Cb 0.39 -0.16 -0.13 0.00 0.09 0.00 0.00 40.66 40.85 2by3 h LEU 493 CO 0.01 0.67 0.11 0.78 0.09 0.00 0.00 178.44 180.09 2by3 h ASN 494 N 0.60 -0.17 0.39 -0.43 2.35 -0.56 -2.35 115.58 115.42 2by3 h ASN 494 Ca 0.12 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 2by3 h ASN 494 Cb 0.38 0.29 0.00 0.00 0.05 0.00 0.00 38.32 39.04 2by3 h ASN 494 CO 0.01 -0.14 0.00 -1.20 -1.65 0.00 0.00 177.43 174.45 2by3 n SER 495 N -5.27 0.00 -4.75 5.81 7.64 -0.57 -4.41 113.62 112.07 2by3 n SER 495 Ca 0.16 -0.32 -0.41 0.00 1.01 0.00 0.00 58.87 59.31 2by3 n SER 495 Cb 0.53 -0.21 -0.03 0.00 -1.01 0.00 0.00 64.21 63.49 2by3 n SER 495 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2by3 s LYS 496 N -2.43 4.40 0.29 1.43 -0.14 -0.89 -4.83 119.74 117.58 2by3 s LYS 496 Ca 0.31 2.09 -0.30 0.00 -1.36 0.00 0.00 55.97 56.71 2by3 s LYS 496 Cb 0.19 -3.15 -0.11 0.00 -1.68 0.00 0.00 37.83 33.08 2by3 s LYS 496 CO 0.40 -0.18 1.51 -0.51 -0.76 0.00 0.00 175.35 175.81 2by3 s LEU 497 N -0.83 4.36 -0.54 3.17 1.43 -0.62 -4.88 118.68 120.77 2by3 s LEU 497 Ca 0.53 2.86 -0.16 0.00 -1.03 0.00 0.00 54.13 56.33 2by3 s LEU 497 Cb -0.37 -3.64 0.13 0.00 0.03 0.00 0.00 46.19 42.34 2by3 s LEU 497 CO 0.44 -0.82 0.50 0.21 0.23 0.00 0.00 176.35 176.91 2by3 s ASN 498 N 0.30 6.18 0.30 2.29 3.84 -1.26 -4.75 114.94 121.85 2by3 s ASN 498 Ca 0.60 -1.82 0.05 0.00 0.21 0.00 0.00 52.86 51.90 2by3 s ASN 498 Cb -0.45 -2.20 0.49 0.00 -0.55 0.00 0.00 41.25 38.54 2by3 s ASN 498 CO 0.49 -0.85 1.75 -0.50 -2.79 0.00 0.00 177.10 175.20 2by3 h TRP 499 N 8.85 0.38 -0.02 0.43 4.06 -1.95 -3.08 115.95 124.62 2by3 h TRP 499 Ca -0.29 -0.08 -0.11 0.00 2.06 0.00 0.00 58.89 60.47 2by3 h TRP 499 Cb 1.10 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 29.15 2by3 h TRP 499 CO 0.73 0.61 -0.52 0.00 -3.56 0.00 0.00 178.44 175.70 2by3 h ALA 500 N 1.40 1.10 0.00 1.49 0.00 -2.04 -3.18 119.26 118.03 2by3 h ALA 500 Ca 0.04 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2by3 h ALA 500 Cb 0.68 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2by3 h ALA 500 CO 0.05 0.65 -0.07 1.05 0.00 0.00 0.00 179.25 180.94 2by3 h GLU 501 N 0.05 0.00 0.00 0.00 4.11 -1.95 -2.52 114.58 114.27 2by3 h GLU 501 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2by3 h GLU 501 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2by3 h GLU 501 CO 0.07 0.07 0.00 2.89 0.07 0.00 0.00 179.01 182.11 2by3 n ARG 502 N -3.29 0.14 0.02 1.06 1.85 -1.20 -2.48 116.66 112.76 2by3 n ARG 502 Ca -0.01 0.48 0.14 0.00 -1.00 0.00 0.00 57.85 57.46 2by3 n ARG 502 Cb 0.25 -1.83 0.58 0.00 -1.05 0.00 0.00 32.46 30.42 2by3 n ARG 502 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2by3 n GLU 503 N -2.10 0.04 -4.25 2.89 1.02 -0.95 -3.07 120.64 114.22 2by3 n GLU 503 Ca 0.01 0.04 -0.14 0.00 -0.02 0.00 0.00 57.16 57.04 2by3 n GLU 503 Cb 0.14 -1.55 -0.10 0.00 -0.02 0.00 0.00 31.44 29.91 2by3 n GLU 503 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2by3 s GLY 504 N -3.09 1.10 0.00 0.62 0.00 -1.03 -4.78 107.32 100.14 2by3 s GLY 504 Ca 0.13 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.34 2by3 s GLY 504 CO 0.54 -1.60 0.00 0.61 0.00 0.00 0.00 173.10 172.65 2by3 n GLY 505 N -0.21 2.44 0.23 0.20 0.00 -1.26 -1.42 105.19 105.16 2by3 n GLY 505 Ca -0.10 -0.41 0.15 0.00 0.00 0.00 0.00 46.02 45.67 2by3 n GLY 505 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2by3 h GLU 506 N 0.00 0.00 -0.09 1.61 4.39 -1.96 -2.29 114.58 116.23 2by3 h GLU 506 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2by3 h GLU 506 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2by3 h GLU 506 CO 0.00 0.00 0.00 0.45 -1.16 0.00 0.00 179.01 178.30 2by3 h HIS 507 N 0.00 0.18 -0.77 4.33 3.86 -1.59 -1.25 115.15 119.91 2by3 h HIS 507 Ca 0.00 -0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.13 2by3 h HIS 507 Cb 0.53 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.92 2by3 h HIS 507 CO 0.00 0.41 0.27 0.00 0.86 0.00 0.00 177.93 179.47 2by3 h ALA 508 N 0.74 1.03 -0.70 2.45 0.00 -0.94 -0.00 119.26 121.83 2by3 h ALA 508 Ca 0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2by3 h ALA 508 Cb 0.34 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2by3 h ALA 508 CO 0.00 0.67 0.25 -0.09 0.00 0.00 0.00 179.25 180.08 2by3 h ARG 509 N 1.13 1.05 -0.40 0.00 2.43 -1.34 0.10 114.38 117.35 2by3 h ARG 509 Ca 0.25 -0.20 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 2by3 h ARG 509 Cb 0.27 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2by3 h ARG 509 CO -0.01 0.88 -0.06 1.15 -1.51 0.00 0.00 179.97 180.41 2by3 h THR 510 N 1.02 1.27 -0.74 0.20 2.02 -0.96 -2.56 112.91 113.17 2by3 h THR 510 Ca 0.23 -1.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.25 2by3 h THR 510 Cb 0.24 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 2by3 h THR 510 CO -0.01 0.38 0.33 0.25 0.37 0.00 0.00 175.52 176.84 2by3 h LEU 511 N 0.55 0.99 -0.78 2.58 5.85 -0.57 -0.43 115.31 123.51 2by3 h LEU 511 Ca 0.10 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.73 2by3 h LEU 511 Cb 0.57 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 2by3 h LEU 511 CO 0.03 0.86 0.47 -0.09 -0.34 0.00 0.00 178.44 179.38 2by3 h ARG 512 N 1.05 0.85 -0.27 1.25 2.43 -0.93 0.06 114.38 118.83 2by3 h ARG 512 Ca 0.25 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 2by3 h ARG 512 Cb 0.15 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2by3 h ARG 512 CO -0.03 0.56 0.04 1.25 -1.51 0.00 0.00 179.97 180.28 2by3 h LEU 513 N 0.88 0.43 -0.57 3.80 5.85 -1.00 -0.62 115.31 124.08 2by3 h LEU 513 Ca 0.34 -0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.86 2by3 h LEU 513 Cb 0.15 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 2by3 h LEU 513 CO -0.16 0.59 0.25 1.88 -0.34 0.00 0.00 178.44 180.65 2by3 h TYR 514 N 0.25 0.45 -0.83 1.25 -1.99 -0.70 0.11 116.97 115.50 2by3 h TYR 514 Ca 0.08 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.86 2by3 h TYR 514 Cb 0.35 -0.11 -0.05 0.00 2.00 0.00 0.00 36.73 38.91 2by3 h TYR 514 CO 0.02 0.17 0.54 0.00 -0.00 0.00 0.00 178.16 178.89 2by3 h ARG 515 N 0.46 1.02 -0.27 4.88 3.08 -0.80 -0.20 114.38 122.55 2by3 h ARG 515 Ca 0.27 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 2by3 h ARG 515 Cb 0.26 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2by3 h ARG 515 CO -0.24 0.68 -0.10 -0.44 -1.07 0.00 0.00 179.97 178.80 2by3 h ASP 516 N 1.05 0.56 -0.50 7.04 3.32 -0.31 -1.14 116.42 126.44 2by3 h ASP 516 Ca 0.33 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2by3 h ASP 516 Cb -0.01 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2by3 h ASP 516 CO -0.11 0.82 0.28 -0.07 -1.72 0.00 0.00 179.24 178.45 2by3 h LEU 517 N 0.29 0.62 -0.89 1.55 3.38 -0.61 -0.47 115.31 119.18 2by3 h LEU 517 Ca 0.06 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 2by3 h LEU 517 Cb 0.60 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2by3 h LEU 517 CO 0.03 0.53 -0.49 -0.07 0.09 0.00 0.00 178.44 178.53 2by3 h LEU 518 N 0.67 0.16 -0.23 1.67 3.38 -0.89 -0.42 115.31 119.65 2by3 h LEU 518 Ca 0.18 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2by3 h LEU 518 Cb 0.03 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2by3 h LEU 518 CO -0.03 0.63 0.00 -0.09 0.09 0.00 0.00 178.44 179.04 2by3 h ARG 519 N 0.12 0.41 -0.70 1.13 2.43 -1.09 -1.86 114.38 114.83 2by3 h ARG 519 Ca 0.00 -0.13 0.08 0.00 -0.81 0.00 0.00 59.98 59.12 2by3 h ARG 519 Cb 0.91 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.36 2by3 h ARG 519 CO 0.07 0.59 0.37 1.25 -1.51 0.00 0.00 179.97 180.75 2by3 h LEU 520 N 0.19 0.53 -0.60 3.80 5.85 -0.80 0.97 115.31 125.25 2by3 h LEU 520 Ca 0.07 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2by3 h LEU 520 Cb 0.40 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2by3 h LEU 520 CO 0.01 0.32 0.31 -0.09 -0.34 0.00 0.00 178.44 178.65 2by3 h ARG 521 N 0.66 0.85 -0.44 1.25 2.43 -0.99 0.09 114.38 118.23 2by3 h ARG 521 Ca 0.33 -0.11 -0.14 0.00 -0.81 0.00 0.00 59.98 59.24 2by3 h ARG 521 Cb 0.27 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2by3 h ARG 521 CO -0.22 0.67 -0.28 -0.09 -1.51 0.00 0.00 179.97 178.54 2by3 h ARG 522 N 0.81 0.97 0.00 0.20 2.43 -0.81 -3.37 114.38 114.61 2by3 h ARG 522 Ca 0.21 -0.45 -0.31 0.00 -0.81 0.00 0.00 59.98 58.62 2by3 h ARG 522 Cb 0.08 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.56 2by3 h ARG 522 CO -0.03 1.12 -2.30 0.39 -1.51 0.00 0.00 179.97 177.64 2by3 n GLU 523 N -4.10 0.68 -2.43 0.20 1.02 0.29 -4.93 120.64 111.37 2by3 n GLU 523 Ca -0.01 -0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.68 2by3 n GLU 523 Cb 0.49 -1.53 -0.02 0.00 -0.02 0.00 0.00 31.44 30.35 2by3 n GLU 523 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2by3 s ASP 524 N -5.38 6.95 0.49 1.62 2.15 0.01 -4.91 116.67 117.60 2by3 s ASP 524 Ca -0.09 1.69 0.24 0.00 0.43 0.00 0.00 52.55 54.82 2by3 s ASP 524 Cb 0.07 -2.54 1.25 0.00 -0.30 0.00 0.00 42.92 41.40 2by3 s ASP 524 CO 0.84 -0.75 2.00 1.55 -0.17 0.00 0.00 175.17 178.63 2by3 h PRO 525 N 8.16 0.00 0.18 4.34 0.13 -1.91 -2.55 132.00 140.35 2by3 h PRO 525 Ca -0.27 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.55 2by3 h PRO 525 Cb 1.10 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.25 2by3 h PRO 525 CO 0.97 0.17 -1.49 0.28 -0.23 0.00 0.00 178.00 177.70 2by3 h VAL 526 N 0.00 1.24 0.00 1.56 2.07 -1.91 -3.23 116.25 115.99 2by3 h VAL 526 Ca -0.00 -2.78 0.00 0.00 0.82 0.00 0.00 66.70 64.74 2by3 h VAL 526 Cb 0.44 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 2by3 h VAL 526 CO 0.02 0.84 0.00 0.18 0.02 0.00 0.00 177.57 178.63 2by3 n LEU 527 N -3.58 0.40 0.16 2.57 4.77 -0.99 -1.25 117.00 119.08 2by3 n LEU 527 Ca -0.16 0.63 0.12 0.00 -0.03 0.00 0.00 56.01 56.57 2by3 n LEU 527 Cb 1.07 -0.61 0.58 0.00 -2.33 0.00 0.00 43.42 42.13 2by3 n LEU 527 CO 0.55 -0.58 0.87 0.45 -1.33 0.00 0.00 177.39 177.35 2by3 h HIS 528 N 0.00 0.00 -1.97 -1.77 3.86 -1.49 -3.45 115.15 110.33 2by3 h HIS 528 Ca 0.00 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.57 2by3 h HIS 528 Cb 0.20 0.00 0.09 0.00 1.06 0.00 0.00 27.41 28.76 2by3 h HIS 528 CO 0.00 0.00 0.15 -1.71 0.86 0.00 0.00 177.93 177.23 2by3 n ASN 529 N -2.33 1.04 -0.82 2.45 5.15 -0.38 -4.91 115.26 115.46 2by3 n ASN 529 Ca 0.00 1.15 0.04 0.00 -0.60 0.00 0.00 54.58 55.17 2by3 n ASN 529 Cb 0.13 -1.20 0.07 0.00 -0.53 0.00 0.00 39.78 38.25 2by3 n ASN 529 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2by3 n ARG 530 N 1.38 0.50 -4.63 1.20 5.12 -1.26 -4.58 116.66 114.39 2by3 n ARG 530 Ca 0.14 -2.05 -0.33 0.00 -1.93 0.00 0.00 57.85 53.69 2by3 n ARG 530 Cb 0.26 -0.68 -0.16 0.00 -1.16 0.00 0.00 32.46 30.72 2by3 n ARG 530 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2by3 s GLN 531 N -1.06 3.12 0.46 5.56 -0.21 -1.26 -3.87 119.66 122.41 2by3 s GLN 531 Ca 0.25 -0.80 0.22 0.00 0.02 0.00 0.00 55.36 55.04 2by3 s GLN 531 Cb 0.26 -2.52 1.14 0.00 1.00 0.00 0.00 33.01 32.89 2by3 s GLN 531 CO -0.07 0.01 1.97 0.00 -2.12 0.00 0.00 175.29 175.08 2by3 h ARG 532 N 7.28 0.00 -0.94 2.91 3.08 -1.93 -1.66 114.38 123.11 2by3 h ARG 532 Ca -0.32 0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.00 2by3 h ARG 532 Cb 1.19 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.20 2by3 h ARG 532 CO 0.56 0.21 0.68 1.49 -1.07 0.00 0.00 179.97 181.83 2by3 h GLU 533 N 0.00 0.03 -0.50 0.04 4.81 -1.99 -2.04 114.58 114.92 2by3 h GLU 533 Ca -0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2by3 h GLU 533 Cb 0.47 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2by3 h GLU 533 CO 0.03 0.02 0.00 0.09 -0.73 0.00 0.00 179.01 178.42 2by3 n ASN 534 N -4.28 3.63 -4.28 1.04 3.02 -0.62 -4.89 115.26 108.88 2by3 n ASN 534 Ca 0.20 -1.99 -0.33 0.00 -0.03 0.00 0.00 54.58 52.42 2by3 n ASN 534 Cb 0.99 -0.33 -0.15 0.00 -0.61 0.00 0.00 39.78 39.68 2by3 n ASN 534 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2by3 s LEU 535 N -1.31 2.55 0.14 3.41 2.96 -0.77 -1.72 118.68 123.94 2by3 s LEU 535 Ca 0.42 -0.44 0.05 0.00 -0.22 0.00 0.00 54.13 53.94 2by3 s LEU 535 Cb 0.23 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 2by3 s LEU 535 CO 0.32 0.09 -0.12 0.42 -1.32 0.00 0.00 176.35 175.73 2by3 s THR 536 N 0.81 1.27 0.06 3.68 -4.23 -0.18 -4.98 115.64 112.07 2by3 s THR 536 Ca -0.05 -1.87 -0.01 0.00 -1.18 0.00 0.00 61.69 58.58 2by3 s THR 536 Cb -0.15 -1.67 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 2by3 s THR 536 CO 0.00 -0.56 -0.02 0.42 -0.54 0.00 0.00 174.62 173.92 2by3 s THR 537 N -2.66 0.21 0.00 3.99 -4.23 -1.26 -0.11 115.64 111.58 2by3 s THR 537 Ca 0.12 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 2by3 s THR 537 Cb -0.02 -1.57 0.00 0.00 1.34 0.00 0.00 72.50 72.25 2by3 s THR 537 CO 0.02 -0.95 0.00 0.61 -0.54 0.00 0.00 174.62 173.77 2by3 n GLY 538 N 0.09 1.60 3.29 3.99 0.00 -0.42 -4.97 105.19 108.76 2by3 n GLY 538 Ca -0.13 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 2by3 n GLY 538 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2by3 s HIS 539 N -4.66 -0.13 -0.26 1.61 -3.43 -1.26 -1.50 115.29 105.66 2by3 s HIS 539 Ca 0.00 -0.18 -0.03 0.00 -0.80 0.00 0.00 55.06 54.06 2by3 s HIS 539 Cb 0.00 0.18 0.09 0.00 -1.43 0.00 0.00 32.58 31.41 2by3 s HIS 539 CO 0.00 -0.64 0.09 0.34 -2.00 0.00 0.00 174.74 172.53 2by3 s ASP 540 N -2.70 3.41 1.88 7.38 2.15 0.09 -4.99 116.67 123.89 2by3 s ASP 540 Ca 0.02 -1.21 0.00 0.00 0.43 0.00 0.00 52.55 51.79 2by3 s ASP 540 Cb 0.02 -0.57 0.00 0.00 -0.30 0.00 0.00 42.92 42.07 2by3 s ASP 540 CO -0.10 -0.39 0.00 0.61 -0.17 0.00 0.00 175.17 175.12 2by3 n GLY 541 N 5.07 3.58 1.11 2.66 0.00 -1.26 -1.44 105.19 114.92 2by3 n GLY 541 Ca -0.06 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 45.96 2by3 n GLY 541 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2by3 n ASP 542 N 6.75 3.23 -4.63 1.61 8.00 -1.26 -4.63 116.55 125.62 2by3 n ASP 542 Ca 0.00 -2.23 -0.37 0.00 0.71 0.00 0.00 54.79 52.90 2by3 n ASP 542 Cb 0.00 -0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 40.56 2by3 n ASP 542 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2by3 s VAL 543 N -1.64 5.30 0.03 2.53 1.01 -0.52 -0.78 120.40 126.32 2by3 s VAL 543 Ca 0.35 0.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.30 2by3 s VAL 543 Cb 0.21 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 33.04 2by3 s VAL 543 CO 0.18 0.31 0.56 -0.22 0.00 0.00 0.00 175.10 175.93 2by3 s LEU 544 N 1.33 4.48 0.05 3.92 2.96 -0.08 -0.73 118.68 130.60 2by3 s LEU 544 Ca 0.07 1.18 0.07 0.00 -0.22 0.00 0.00 54.13 55.23 2by3 s LEU 544 Cb -0.14 -2.87 -0.02 0.00 0.50 0.00 0.00 46.19 43.66 2by3 s LEU 544 CO 0.07 0.21 -0.19 -1.66 -1.32 0.00 0.00 176.35 173.46 2by3 s TRP 545 N -0.73 1.67 -0.09 5.38 1.48 -0.56 -0.87 118.94 125.21 2by3 s TRP 545 Ca 0.29 -0.37 -0.01 0.00 -1.06 0.00 0.00 56.10 54.94 2by3 s TRP 545 Cb -0.19 -0.99 0.03 0.00 -1.16 0.00 0.00 33.47 31.17 2by3 s TRP 545 CO 0.17 0.08 -0.01 0.08 -4.06 0.00 0.00 176.95 173.22 2by3 s VAL 546 N -0.83 0.50 -0.10 -0.66 1.01 0.01 -1.31 120.40 119.02 2by3 s VAL 546 Ca 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.02 2by3 s VAL 546 Cb -0.09 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 2by3 s VAL 546 CO 0.02 0.21 -0.14 -0.60 0.00 0.00 0.00 175.10 174.59 2by3 s ARG 547 N 1.92 3.05 -0.13 2.72 3.52 0.84 -0.50 118.95 130.37 2by3 s ARG 547 Ca 0.04 -0.71 0.02 0.00 -0.13 0.00 0.00 55.73 54.95 2by3 s ARG 547 Cb -0.13 -2.52 -0.00 0.00 -1.56 0.00 0.00 34.95 30.74 2by3 s ARG 547 CO -0.06 0.35 -0.19 0.99 -0.81 0.00 0.00 175.30 175.58 2by3 s THR 548 N -0.02 2.46 -0.10 4.11 2.01 0.10 -1.01 115.64 123.19 2by3 s THR 548 Ca -0.04 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.11 2by3 s THR 548 Cb -0.14 -2.00 0.02 0.00 0.01 0.00 0.00 72.50 70.39 2by3 s THR 548 CO 0.04 0.54 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.71 2by3 s VAL 549 N 0.53 1.16 0.33 3.82 1.01 -0.70 -0.90 120.40 125.65 2by3 s VAL 549 Ca -0.12 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.49 2by3 s VAL 549 Cb -0.16 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 2by3 s VAL 549 CO 0.04 0.38 0.17 0.35 0.00 0.00 0.00 175.10 176.05 2by3 n THR 550 N 4.47 0.00 0.24 3.92 -2.24 -0.00 -4.73 114.28 115.94 2by3 n THR 550 Ca -0.17 -2.09 0.14 0.00 -2.27 0.00 0.00 64.05 59.66 2by3 n THR 550 Cb 0.51 0.87 0.73 0.00 -2.10 0.00 0.00 70.33 70.33 2by3 n THR 550 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2by3 h GLY 551 N 1.56 0.00 1.25 3.38 0.00 -2.00 -1.69 103.07 105.56 2by3 h GLY 551 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2by3 h GLY 551 CO 0.38 0.00 -0.33 0.00 0.00 0.00 0.00 176.54 176.59 2by3 n ALA 552 N -1.86 3.16 0.00 3.60 0.00 -1.26 -5.05 120.51 119.09 2by3 n ALA 552 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2by3 n ALA 552 Cb 0.08 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.30 2by3 n ALA 552 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2by3 n GLY 553 N 1.48 0.83 2.87 0.00 0.00 -0.64 -4.81 105.19 104.93 2by3 n GLY 553 Ca 0.07 -1.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 2by3 n GLY 553 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2by3 s GLU 554 N -2.00 0.01 0.04 1.61 2.12 -1.26 -0.82 118.70 118.40 2by3 s GLU 554 Ca 0.00 0.00 0.06 0.00 0.36 0.00 0.00 54.97 55.40 2by3 s GLU 554 Cb 0.00 -0.03 -0.02 0.00 0.26 0.00 0.00 34.13 34.34 2by3 s GLU 554 CO 0.00 -0.01 -0.18 1.03 -0.54 0.00 0.00 175.26 175.57 2by3 s ARG 555 N 0.05 1.22 -0.06 4.30 1.81 -0.08 -4.41 118.95 121.79 2by3 s ARG 555 Ca -0.00 -0.84 0.02 0.00 -1.72 0.00 0.00 55.73 53.18 2by3 s ARG 555 Cb -0.01 -1.28 0.02 0.00 -0.45 0.00 0.00 34.95 33.23 2by3 s ARG 555 CO -0.00 0.33 -0.09 0.08 -0.68 0.00 0.00 175.30 174.94 2by3 s VAL 556 N -0.78 0.88 -0.19 3.52 1.01 -0.37 -0.72 120.40 123.75 2by3 s VAL 556 Ca 0.05 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 2by3 s VAL 556 Cb -0.08 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 2by3 s VAL 556 CO 0.01 0.30 0.21 -0.22 0.00 0.00 0.00 175.10 175.40 2by3 s LEU 557 N 0.77 4.20 -0.21 3.92 2.96 0.35 -0.86 118.68 129.81 2by3 s LEU 557 Ca -0.13 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.11 2by3 s LEU 557 Cb -0.15 -2.22 0.03 0.00 0.50 0.00 0.00 46.19 44.34 2by3 s LEU 557 CO 0.02 0.11 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.26 2by3 s LEU 558 N 0.58 2.65 -0.20 -0.68 1.43 0.10 -0.81 118.68 121.74 2by3 s LEU 558 Ca 0.12 -0.81 -0.01 0.00 -1.03 0.00 0.00 54.13 52.40 2by3 s LEU 558 Cb -0.12 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.55 2by3 s LEU 558 CO 0.02 -0.06 -0.13 0.86 0.23 0.00 0.00 176.35 177.27 2by3 s TRP 559 N 1.28 2.87 -0.71 0.29 -0.00 -0.05 -1.40 118.94 121.22 2by3 s TRP 559 Ca 0.02 -1.36 -0.23 0.00 -0.00 0.00 0.00 56.10 54.52 2by3 s TRP 559 Cb -0.15 -2.00 0.07 0.00 -0.00 0.00 0.00 33.47 31.38 2by3 s TRP 559 CO -0.09 -0.70 1.06 1.21 -0.00 0.00 0.00 176.95 178.43 2by3 s ASN 560 N 1.37 6.21 0.15 5.86 2.47 0.35 -0.90 114.94 130.45 2by3 s ASN 560 Ca 0.05 -0.96 0.27 0.00 0.42 0.00 0.00 52.86 52.63 2by3 s ASN 560 Cb -0.14 -2.45 0.94 0.00 -1.45 0.00 0.00 41.25 38.15 2by3 s ASN 560 CO -0.09 -1.51 1.82 0.18 -3.72 0.00 0.00 177.10 173.78 2by3 n LEU 561 N 8.03 0.56 0.00 3.21 7.99 0.04 -0.04 117.00 136.79 2by3 n LEU 561 Ca 0.01 0.56 -0.23 0.00 -0.01 0.00 0.00 56.01 56.34 2by3 n LEU 561 Cb 0.47 -0.38 0.18 0.00 -0.11 0.00 0.00 43.42 43.57 2by3 n LEU 561 CO 0.65 -0.14 0.53 0.61 -1.51 0.00 0.00 177.39 177.53 2by3 n GLY 562 N 1.31 -2.28 0.12 -0.72 0.00 -1.24 -4.69 105.19 97.69 2by3 n GLY 562 Ca 0.06 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.62 2by3 n GLY 562 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2by3 n GLN 563 N -3.74 0.70 -4.24 1.61 1.13 -1.26 -3.38 117.38 108.20 2by3 n GLN 563 Ca 0.12 -0.24 -0.28 0.00 -1.94 0.00 0.00 57.00 54.66 2by3 n GLN 563 Cb 0.44 -1.43 -0.04 0.00 0.11 0.00 0.00 30.24 29.32 2by3 n GLN 563 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 2by3 s ASP 564 N -2.73 4.42 0.01 1.08 -4.77 -1.26 -4.68 116.67 108.73 2by3 s ASP 564 Ca 0.10 -1.36 -0.17 0.00 -3.30 0.00 0.00 52.55 47.82 2by3 s ASP 564 Cb 0.15 0.28 -0.06 0.00 -1.09 0.00 0.00 42.92 42.20 2by3 s ASP 564 CO 0.74 -0.91 0.49 -0.89 0.70 0.00 0.00 175.17 175.30 2by3 s THR 565 N -2.78 4.94 -0.10 2.11 2.01 -1.26 -3.17 115.64 117.40 2by3 s THR 565 Ca 0.26 1.02 0.02 0.00 0.31 0.00 0.00 61.69 63.29 2by3 s THR 565 Cb 0.00 -3.81 0.01 0.00 0.01 0.00 0.00 72.50 68.72 2by3 s THR 565 CO 0.15 0.52 -0.15 -0.13 -0.69 0.00 0.00 174.62 174.32 2by3 s ARG 566 N -0.78 2.18 0.12 4.92 1.81 -0.08 -4.99 118.95 122.13 2by3 s ARG 566 Ca 0.26 -0.55 -0.30 0.00 -1.72 0.00 0.00 55.73 53.42 2by3 s ARG 566 Cb -0.18 -1.82 -0.06 0.00 -0.45 0.00 0.00 34.95 32.45 2by3 s ARG 566 CO 0.15 -0.02 0.99 0.00 -0.68 0.00 0.00 175.30 175.74 2by3 s ALA 567 N 0.87 3.27 0.34 2.13 0.00 -1.26 -0.33 121.76 126.77 2by3 s ALA 567 Ca -0.09 0.62 0.08 0.00 0.00 0.00 0.00 51.96 52.56 2by3 s ALA 567 Cb -0.15 -3.29 0.77 0.00 0.00 0.00 0.00 23.12 20.44 2by3 s ALA 567 CO 0.01 -0.06 1.87 0.28 0.00 0.00 0.00 175.76 177.85 2by3 h VAL 568 N 3.99 0.86 0.00 0.00 2.07 -1.59 -1.12 116.25 120.46 2by3 h VAL 568 Ca -0.43 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2by3 h VAL 568 Cb 1.21 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2by3 h VAL 568 CO 0.72 0.14 -0.05 0.00 0.02 0.00 0.00 177.57 178.39 2by3 h ALA 569 N 1.59 1.17 -0.18 1.67 0.00 -1.93 -2.14 119.26 119.46 2by3 h ALA 569 Ca 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2by3 h ALA 569 Cb 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2by3 h ALA 569 CO -0.21 0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.50 2by3 n GLU 570 N -3.40 2.32 -2.56 0.00 1.02 -0.43 -4.87 120.64 112.71 2by3 n GLU 570 Ca -0.02 -1.96 -0.43 0.00 -0.02 0.00 0.00 57.16 54.74 2by3 n GLU 570 Cb 0.19 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 2by3 n GLU 570 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2by3 s VAL 571 N -1.79 4.49 -0.31 2.62 1.01 -0.81 -4.98 120.40 120.64 2by3 s VAL 571 Ca 0.33 1.79 -0.29 0.00 0.00 0.00 0.00 61.98 63.82 2by3 s VAL 571 Cb 0.21 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2by3 s VAL 571 CO 0.31 -0.04 1.18 -0.54 0.00 0.00 0.00 175.10 176.00 2by3 s LYS 572 N 2.43 4.01 0.07 2.72 1.02 -1.26 -5.02 119.74 123.70 2by3 s LYS 572 Ca 0.52 1.16 0.07 0.00 0.02 0.00 0.00 55.97 57.73 2by3 s LYS 572 Cb -0.21 -3.80 -0.03 0.00 -0.52 0.00 0.00 37.83 33.27 2by3 s LYS 572 CO 0.18 -0.99 -0.19 -0.51 -0.92 0.00 0.00 175.35 172.91 2by3 s LEU 573 N 3.95 2.23 -0.00 3.17 1.43 -1.26 -4.68 118.68 123.52 2by3 s LEU 573 Ca 0.50 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 2by3 s LEU 573 Cb -0.14 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.25 2by3 s LEU 573 CO 0.19 0.08 0.83 -0.81 0.23 0.00 0.00 176.35 176.87 2by3 n PRO 574 N 1.51 1.03 -4.10 1.29 -0.04 -1.26 -4.78 135.00 128.65 2by3 n PRO 574 Ca -0.19 -0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.12 2by3 n PRO 574 Cb 0.54 -1.19 -0.07 0.00 -0.04 0.00 0.00 33.50 32.74 2by3 n PRO 574 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2by3 s PHE 575 N -1.64 0.88 -0.12 0.54 -0.12 -1.26 -5.13 117.98 111.12 2by3 s PHE 575 Ca 0.01 -1.13 -0.26 0.00 -0.05 0.00 0.00 56.93 55.50 2by3 s PHE 575 Cb 0.00 -0.18 -0.02 0.00 -0.63 0.00 0.00 43.02 42.20 2by3 s PHE 575 CO 0.00 -0.91 0.82 0.99 -0.05 0.00 0.00 175.22 176.08 2by3 s THR 576 N -3.79 4.92 0.24 -4.49 2.01 -1.26 -5.00 115.64 108.26 2by3 s THR 576 Ca 0.31 1.65 -0.30 0.00 0.31 0.00 0.00 61.69 63.66 2by3 s THR 576 Cb 0.02 -4.14 -0.10 0.00 0.01 0.00 0.00 72.50 68.29 2by3 s THR 576 CO 0.14 0.10 1.49 0.54 -0.69 0.00 0.00 174.62 176.19 2by3 s VAL 577 N 1.67 2.57 0.60 3.82 0.11 -1.26 -4.98 120.40 122.93 2by3 s VAL 577 Ca 0.40 0.46 -0.19 0.00 -2.93 0.00 0.00 61.98 59.73 2by3 s VAL 577 Cb -0.17 -3.30 -0.05 0.00 -1.53 0.00 0.00 36.38 31.33 2by3 s VAL 577 CO 0.16 0.07 1.02 -2.65 -3.33 0.00 0.00 175.10 170.37 2by3 n PRO 578 N 2.62 0.98 -0.01 1.54 -0.02 -1.26 -4.98 135.00 133.86 2by3 n PRO 578 Ca 0.08 0.38 0.01 0.00 -2.02 0.00 0.00 63.50 61.95 2by3 n PRO 578 Cb 0.39 -2.22 -0.12 0.00 -0.02 0.00 0.00 33.50 31.53 2by3 n PRO 578 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2by3 n ARG 579 N -1.06 0.65 -3.22 -0.52 1.74 -1.21 -4.63 116.66 108.40 2by3 n ARG 579 Ca 0.14 0.03 -0.39 0.00 -0.77 0.00 0.00 57.85 56.85 2by3 n ARG 579 Cb 0.47 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 30.20 2by3 n ARG 579 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2by3 s ARG 580 N -3.01 4.29 -0.02 5.56 3.52 -0.44 -4.91 118.95 123.94 2by3 s ARG 580 Ca -0.06 0.54 -0.30 0.00 -0.13 0.00 0.00 55.73 55.77 2by3 s ARG 580 Cb 0.10 -3.50 -0.05 0.00 -1.56 0.00 0.00 34.95 29.94 2by3 s ARG 580 CO 0.84 -0.01 1.38 -1.17 -0.81 0.00 0.00 175.30 175.54 2by3 s LEU 581 N 1.14 4.30 -0.17 -0.88 1.98 -1.26 -0.58 118.68 123.21 2by3 s LEU 581 Ca 0.28 2.05 0.04 0.00 -2.89 0.00 0.00 54.13 53.61 2by3 s LEU 581 Cb -0.16 -3.56 -0.13 0.00 0.66 0.00 0.00 46.19 43.00 2by3 s LEU 581 CO 0.11 -0.72 -0.11 0.18 -1.89 0.00 0.00 176.35 173.93 2by3 n LEU 582 N 5.54 2.23 -3.61 -0.68 4.77 -0.08 -4.93 117.00 120.23 2by3 n LEU 582 Ca 0.13 -0.07 -0.15 0.00 -0.03 0.00 0.00 56.01 55.89 2by3 n LEU 582 Cb 0.44 -0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 2by3 n LEU 582 CO 0.58 0.69 0.39 -0.22 -1.33 0.00 0.00 177.39 177.51 2by3 s LEU 583 N -5.81 -0.61 -0.05 2.23 0.20 -1.03 -4.99 118.68 108.62 2by3 s LEU 583 Ca -0.20 1.21 0.03 0.00 0.69 0.00 0.00 54.13 55.85 2by3 s LEU 583 Cb 0.06 2.38 0.01 0.00 -0.43 0.00 0.00 46.19 48.21 2by3 s LEU 583 CO 0.46 -0.33 -0.12 -2.28 -0.29 0.00 0.00 176.35 173.79 2by3 s HIS 584 N -0.03 1.41 -0.11 5.38 5.65 -1.26 -0.74 115.29 125.59 2by3 s HIS 584 Ca -0.03 -0.48 0.28 0.00 0.25 0.00 0.00 55.06 55.09 2by3 s HIS 584 Cb -0.04 -1.02 1.33 0.00 -1.18 0.00 0.00 32.58 31.68 2by3 s HIS 584 CO 0.03 -0.23 1.85 1.79 -0.65 0.00 0.00 174.74 177.53 2by3 h THR 585 N 5.76 0.00 -0.16 0.89 1.35 -1.42 -0.62 112.91 118.71 2by3 h THR 585 Ca -0.32 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 2by3 h THR 585 Cb 1.18 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2by3 h THR 585 CO 0.48 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.13 2by3 n GLU 586 N -2.52 2.53 -1.91 4.72 -0.58 -1.26 -4.96 120.64 116.65 2by3 n GLU 586 Ca -0.00 -2.31 -0.17 0.00 -0.42 0.00 0.00 57.16 54.26 2by3 n GLU 586 Cb 0.16 -1.45 -0.04 0.00 -0.57 0.00 0.00 31.44 29.54 2by3 n GLU 586 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2by3 n GLY 587 N -0.48 0.63 3.78 0.62 0.00 -0.24 -4.98 105.19 104.52 2by3 n GLY 587 Ca 0.13 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2by3 n GLY 587 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2by3 s ARG 588 N -4.14 2.96 -0.02 1.61 0.52 -1.26 -4.97 118.95 113.65 2by3 s ARG 588 Ca 0.00 1.33 0.09 0.00 -0.52 0.00 0.00 55.73 56.63 2by3 s ARG 588 Cb 0.00 -1.98 -0.23 0.00 0.52 0.00 0.00 34.95 33.26 2by3 s ARG 588 CO 0.00 -1.11 0.76 0.93 0.02 0.00 0.00 175.30 175.90 2by3 h GLU 589 N 0.15 0.03 -6.29 3.54 5.08 -1.97 -3.44 114.58 111.68 2by3 h GLU 589 Ca -0.47 -0.06 -0.49 0.00 -1.00 0.00 0.00 59.36 57.34 2by3 h GLU 589 Cb 1.24 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2by3 h GLU 589 CO 0.55 0.67 -0.33 -0.51 -1.00 0.00 0.00 179.01 178.39 2by3 s ASP 590 N -6.32 6.34 -1.40 1.42 1.01 -1.26 -5.01 116.67 111.46 2by3 s ASP 590 Ca -0.05 0.30 -0.15 0.00 0.71 0.00 0.00 52.55 53.36 2by3 s ASP 590 Cb 0.08 -1.96 0.03 0.00 1.01 0.00 0.00 42.92 42.08 2by3 s ASP 590 CO 0.82 -0.12 2.17 0.18 0.21 0.00 0.00 175.17 178.43 2by3 n LEU 591 N -1.22 6.51 -3.69 1.23 4.77 -1.26 -4.85 117.00 118.50 2by3 n LEU 591 Ca -0.06 -4.03 -0.20 0.00 -0.03 0.00 0.00 56.01 51.69 2by3 n LEU 591 Cb 0.55 -1.63 -0.18 0.00 -2.33 0.00 0.00 43.42 39.84 2by3 n LEU 591 CO 0.47 0.92 -0.35 -0.89 -1.33 0.00 0.00 177.39 176.22 2by3 s THR 592 N 3.45 -0.03 -0.40 -5.08 2.01 -1.26 -1.31 115.64 113.00 2by3 s THR 592 Ca 0.48 0.38 -0.12 0.00 0.31 0.00 0.00 61.69 62.74 2by3 s THR 592 Cb 0.13 -0.21 0.05 0.00 0.01 0.00 0.00 72.50 72.48 2by3 s THR 592 CO -0.06 0.19 0.26 -0.76 -0.69 0.00 0.00 174.62 173.55 2by3 s LEU 593 N 2.10 5.00 1.05 4.42 1.43 0.55 -4.97 118.68 128.27 2by3 s LEU 593 Ca 0.05 -1.16 -0.11 0.00 -1.03 0.00 0.00 54.13 51.87 2by3 s LEU 593 Cb -0.12 -2.05 0.22 0.00 0.03 0.00 0.00 46.19 44.27 2by3 s LEU 593 CO -0.03 -0.47 1.08 -0.83 0.23 0.00 0.00 176.35 176.33 2by3 s GLY 594 N 1.85 1.61 -0.12 -3.19 0.00 -1.26 -0.90 107.32 105.31 2by3 s GLY 594 Ca 0.03 0.23 -0.38 0.00 0.00 0.00 0.00 44.72 44.59 2by3 s GLY 594 CO 0.06 0.81 1.60 0.00 0.00 0.00 0.00 173.10 175.56 2by3 n ALA 595 N -4.63 -0.39 -0.27 3.20 0.00 -1.19 -1.40 120.51 115.82 2by3 n ALA 595 Ca 0.07 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2by3 n ALA 595 Cb 0.53 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2by3 n ALA 595 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2by3 n GLY 596 N 3.55 1.74 3.88 0.00 0.00 0.94 -4.68 105.19 110.63 2by3 n GLY 596 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 2by3 n GLY 596 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2by3 s GLU 597 N -0.25 3.72 0.14 1.61 2.02 -0.49 -3.83 118.70 121.62 2by3 s GLU 597 Ca 0.00 0.41 0.06 0.00 0.02 0.00 0.00 54.97 55.46 2by3 s GLU 597 Cb 0.00 -2.38 -0.04 0.00 0.10 0.00 0.00 34.13 31.81 2by3 s GLU 597 CO 0.00 -0.10 -0.12 0.00 0.02 0.00 0.00 175.26 175.06 2by3 s ALA 598 N -2.49 1.55 -0.03 5.21 0.00 -1.26 -0.49 121.76 124.25 2by3 s ALA 598 Ca 0.50 -1.43 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 2by3 s ALA 598 Cb -0.10 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.00 2by3 s ALA 598 CO 0.35 0.01 0.13 0.54 0.00 0.00 0.00 175.76 176.80 2by3 s VAL 599 N -2.75 0.04 -0.21 0.00 0.11 -0.49 -0.92 120.40 116.18 2by3 s VAL 599 Ca 0.14 -0.31 -0.05 0.00 -2.93 0.00 0.00 61.98 58.82 2by3 s VAL 599 Cb -0.01 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.52 2by3 s VAL 599 CO 0.03 -0.17 0.01 -0.22 -3.33 0.00 0.00 175.10 171.41 2by3 s LEU 600 N -0.56 3.26 0.29 2.54 2.96 0.09 -0.72 118.68 126.53 2by3 s LEU 600 Ca -0.06 -0.21 0.11 0.00 -0.22 0.00 0.00 54.13 53.74 2by3 s LEU 600 Cb -0.04 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 2by3 s LEU 600 CO 0.01 0.05 -0.12 0.68 -1.32 0.00 0.00 176.35 175.65 2by3 s VAL 601 N 1.10 2.72 0.00 1.68 -7.23 -0.04 -0.90 120.40 117.74 2by3 s VAL 601 Ca 0.03 -2.22 0.00 0.00 -1.81 0.00 0.00 61.98 57.98 2by3 s VAL 601 Cb -0.14 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.27 2by3 s VAL 601 CO 0.02 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.06