#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vhd s LEU 1 N 0.00 4.37 0.12 2.46 2.96 -1.26 -5.04 118.68 122.29 1vhd s LEU 1 Ca 0.00 1.71 -0.04 0.00 -0.22 0.00 0.00 54.13 55.58 1vhd s LEU 1 Cb 0.00 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 1vhd s LEU 1 CO 0.00 -0.29 0.10 -1.66 -1.32 0.00 0.00 176.35 173.18 1vhd s TRP 2 N 1.02 0.60 0.01 5.38 1.48 -1.26 -5.10 118.94 121.07 1vhd s TRP 2 Ca 0.53 -1.01 0.03 0.00 -1.06 0.00 0.00 56.10 54.58 1vhd s TRP 2 Cb -0.22 -0.31 -0.01 0.00 -1.16 0.00 0.00 33.47 31.76 1vhd s TRP 2 CO 0.28 -0.54 -0.08 -2.00 -4.06 0.00 0.00 176.95 170.55 1vhd s GLU 3 N -3.98 0.61 -0.12 3.25 2.12 -1.26 -5.13 118.70 114.19 1vhd s GLU 3 Ca 0.16 -0.44 0.02 0.00 0.36 0.00 0.00 54.97 55.08 1vhd s GLU 3 Cb 0.06 -0.55 0.01 0.00 0.26 0.00 0.00 34.13 33.91 1vhd s GLU 3 CO -0.03 0.14 -0.18 0.12 -0.54 0.00 0.00 175.26 174.77 1vhd s PHE 4 N -0.54 2.28 -0.01 5.30 2.19 -1.26 -4.98 117.98 120.96 1vhd s PHE 4 Ca -0.00 -1.11 -0.16 0.00 0.33 0.00 0.00 56.93 55.98 1vhd s PHE 4 Cb -0.05 -1.60 0.03 0.00 -1.31 0.00 0.00 43.02 40.09 1vhd s PHE 4 CO 0.00 -0.54 0.35 -0.47 1.83 0.00 0.00 175.22 176.39 1vhd s TYR 5 N 0.92 -0.22 0.00 10.12 5.04 -1.26 -5.19 117.35 126.75 1vhd s TYR 5 Ca -0.07 0.32 0.00 0.00 -2.44 0.00 0.00 57.07 54.88 1vhd s TYR 5 Cb -0.15 0.13 0.00 0.00 0.35 0.00 0.00 41.96 42.29 1vhd s TYR 5 CO -0.02 -0.43 0.00 -0.35 -1.34 0.00 0.00 175.55 173.41 1vhd n PRO 7 N 1.15 0.00 -1.79 4.97 -0.04 -1.26 -4.79 135.00 133.24 1vhd n PRO 7 Ca -0.21 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.84 1vhd n PRO 7 Cb 0.56 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.01 1vhd n PRO 7 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1vhd s THR 8 N 0.00 2.10 -0.47 0.52 2.01 -1.26 -4.93 115.64 113.62 1vhd s THR 8 Ca 0.00 0.09 -0.21 0.00 0.31 0.00 0.00 61.69 61.87 1vhd s THR 8 Cb 0.00 -3.06 0.03 0.00 0.01 0.00 0.00 72.50 69.49 1vhd s THR 8 CO 0.00 0.01 0.71 -0.62 -0.69 0.00 0.00 174.62 174.04 1vhd s ASP 9 N 0.49 6.33 -0.19 3.53 3.68 -0.42 -4.95 116.67 125.14 1vhd s ASP 9 Ca 0.63 -0.39 -0.13 0.00 2.13 0.00 0.00 52.55 54.79 1vhd s ASP 9 Cb -0.47 -2.34 -0.05 0.00 -1.45 0.00 0.00 42.92 38.61 1vhd s ASP 9 CO 0.48 -0.89 0.27 -0.69 0.13 0.00 0.00 175.17 174.46 1vhd s VAL 10 N 3.04 5.31 -0.10 1.11 1.01 -1.26 -1.78 120.40 127.74 1vhd s VAL 10 Ca 0.24 0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.72 1vhd s VAL 10 Cb -0.14 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1vhd s VAL 10 CO 0.19 0.36 -0.22 -0.36 0.00 0.00 0.00 175.10 175.06 1vhd s PHE 11 N 0.74 2.41 -0.04 5.22 0.40 -0.17 -4.97 117.98 121.56 1vhd s PHE 11 Ca 0.14 -0.98 0.03 0.00 -0.60 0.00 0.00 56.93 55.52 1vhd s PHE 11 Cb -0.13 -1.62 0.01 0.00 0.51 0.00 0.00 43.02 41.78 1vhd s PHE 11 CO 0.04 -0.40 -0.11 0.12 0.70 0.00 0.00 175.22 175.57 1vhd s PHE 12 N 0.39 1.15 0.00 0.36 2.19 -1.26 -0.63 117.98 120.18 1vhd s PHE 12 Ca -0.18 -0.33 0.00 0.00 0.33 0.00 0.00 56.93 56.75 1vhd s PHE 12 Cb -0.18 -0.82 0.00 0.00 -1.31 0.00 0.00 43.02 40.71 1vhd s PHE 12 CO 0.08 -0.15 0.00 0.41 1.83 0.00 0.00 175.22 177.40 1vhd n GLY 13 N 3.41 3.42 3.74 13.12 0.00 -0.08 -4.99 105.19 123.82 1vhd n GLY 13 Ca -0.20 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 1vhd n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vhd s GLU 14 N -2.28 4.26 -1.55 1.61 8.01 -1.26 -2.07 118.70 125.43 1vhd s GLU 14 Ca 0.00 2.31 -0.05 0.00 0.01 0.00 0.00 54.97 57.24 1vhd s GLU 14 Cb 0.00 -3.11 0.01 0.00 -4.31 0.00 0.00 34.13 26.72 1vhd s GLU 14 CO 0.00 -0.43 0.67 1.63 0.01 0.00 0.00 175.26 177.15 1vhd n LYS 15 N 2.35 -5.26 -0.07 1.61 5.02 -1.26 -4.91 118.16 115.64 1vhd n LYS 15 Ca 0.07 0.91 -0.01 0.00 -2.02 0.00 0.00 58.31 57.26 1vhd n LYS 15 Cb 0.40 -5.80 0.26 0.00 -0.02 0.00 0.00 35.03 29.88 1vhd n LYS 15 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1vhd h ILE 16 N -1.54 1.20 -0.69 -0.18 6.09 -1.73 -0.93 117.51 119.73 1vhd h ILE 16 Ca -0.54 -0.68 -0.07 0.00 -1.37 0.00 0.00 64.86 62.20 1vhd h ILE 16 Cb 1.37 0.69 -0.03 0.00 0.47 0.00 0.00 36.82 39.33 1vhd h ILE 16 CO 0.57 0.25 0.15 -0.07 -3.07 0.00 0.00 178.15 175.98 1vhd h LEU 17 N 0.68 1.06 -0.52 2.19 3.38 -1.91 0.24 115.31 120.43 1vhd h LEU 17 Ca 0.16 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 1vhd h LEU 17 Cb 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1vhd h LEU 17 CO -0.01 1.03 -0.16 -0.08 0.09 0.00 0.00 178.44 179.31 1vhd h GLU 18 N 1.05 1.03 0.00 1.13 4.81 -1.80 -0.04 114.58 120.76 1vhd h GLU 18 Ca 0.21 -0.41 -0.23 0.00 -0.13 0.00 0.00 59.36 58.81 1vhd h GLU 18 Cb 0.40 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1vhd h GLU 18 CO 0.01 1.10 -1.22 0.87 -0.73 0.00 0.00 179.01 179.03 1vhd h LYS 19 N 0.90 0.00 0.00 1.92 1.57 -0.87 -3.42 116.57 116.67 1vhd h LYS 19 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1vhd h LYS 19 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1vhd h LYS 19 CO 0.06 0.73 0.00 0.54 -0.57 0.00 0.00 179.45 180.21 1vhd n ARG 20 N -3.20 1.16 0.30 3.15 5.12 0.82 -4.87 116.66 119.13 1vhd n ARG 20 Ca -0.06 -0.04 0.16 0.00 -1.93 0.00 0.00 57.85 55.97 1vhd n ARG 20 Cb 0.95 -0.30 0.92 0.00 -1.16 0.00 0.00 32.46 32.88 1vhd n ARG 20 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1vhd h GLY 21 N 0.00 0.00 1.57 -0.13 0.00 -0.80 -3.00 103.07 100.70 1vhd h GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vhd h GLY 21 CO 0.00 0.00 0.21 3.43 0.00 0.00 0.00 176.54 180.18 1vhd h ASN 22 N 0.00 0.00 0.17 0.19 -0.26 -1.88 -1.94 115.58 111.87 1vhd h ASN 22 Ca -0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1vhd h ASN 22 Cb 0.08 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1vhd h ASN 22 CO 0.00 0.00 -0.01 -0.29 -1.06 0.00 0.00 177.43 176.08 1vhd h ILE 23 N 0.00 0.07 0.00 2.81 2.10 -1.92 -1.58 117.51 118.98 1vhd h ILE 23 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 1vhd h ILE 23 Cb 0.42 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 37.24 1vhd h ILE 23 CO 0.00 0.01 0.00 2.30 -1.08 0.00 0.00 178.15 179.38 1vhd n ILE 24 N -3.17 1.14 0.25 2.19 -5.35 -0.73 -1.97 119.36 111.73 1vhd n ILE 24 Ca -0.02 0.39 0.17 0.00 -0.27 0.00 0.00 62.75 63.01 1vhd n ILE 24 Cb 0.11 -1.30 0.89 0.00 -1.74 0.00 0.00 39.64 37.60 1vhd n ILE 24 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1vhd h ASP 25 N 0.00 0.00 0.95 7.28 3.58 -1.53 0.05 116.42 126.75 1vhd h ASP 25 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1vhd h ASP 25 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 1vhd h ASP 25 CO 0.00 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.54 1vhd n LEU 26 N -3.75 0.52 0.07 2.28 4.77 -0.83 -3.52 117.00 116.54 1vhd n LEU 26 Ca -0.01 0.59 0.04 0.00 -0.03 0.00 0.00 56.01 56.61 1vhd n LEU 26 Cb 0.21 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 40.79 1vhd n LEU 26 CO 0.27 -0.33 -0.07 -0.07 -1.33 0.00 0.00 177.39 175.85 1vhd h LEU 27 N 0.00 0.00 0.00 2.23 3.38 -1.20 -3.51 115.31 116.22 1vhd h LEU 27 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vhd h LEU 27 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1vhd h LEU 27 CO 0.00 0.37 0.00 0.61 0.09 0.00 0.00 178.44 179.51 1vhd n GLY 28 N 1.30 -0.90 0.00 0.83 0.00 -1.23 -4.58 105.19 100.61 1vhd n GLY 28 Ca -0.05 -1.35 0.03 0.00 0.00 0.00 0.00 46.02 44.66 1vhd n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vhd n LYS 29 N 0.00 4.09 -3.89 1.61 5.02 -1.26 -4.78 118.16 118.95 1vhd n LYS 29 Ca 0.00 -0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.14 1vhd n LYS 29 Cb 0.00 -0.88 -0.15 0.00 -0.02 0.00 0.00 35.03 33.98 1vhd n LYS 29 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1vhd s ARG 30 N -1.78 0.08 0.06 1.97 3.52 -1.26 -0.76 118.95 120.78 1vhd s ARG 30 Ca 0.02 0.04 0.01 0.00 -0.13 0.00 0.00 55.73 55.66 1vhd s ARG 30 Cb 0.05 -0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.23 1vhd s ARG 30 CO 0.30 -0.05 -0.05 0.00 -0.81 0.00 0.00 175.30 174.69 1vhd s ALA 31 N 0.41 0.64 -0.18 6.12 0.00 -0.19 -0.16 121.76 128.41 1vhd s ALA 31 Ca -0.04 -1.13 -0.04 0.00 0.00 0.00 0.00 51.96 50.75 1vhd s ALA 31 Cb -0.06 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1vhd s ALA 31 CO -0.01 -0.25 -0.04 -1.17 0.00 0.00 0.00 175.76 174.29 1vhd s LEU 32 N -2.62 3.13 -0.21 0.00 2.96 -0.79 -2.49 118.68 118.66 1vhd s LEU 32 Ca 0.04 -0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 53.64 1vhd s LEU 32 Cb 0.03 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 1vhd s LEU 32 CO -0.06 0.10 0.11 -0.69 -1.32 0.00 0.00 176.35 174.49 1vhd s VAL 33 N 0.77 5.00 -0.12 1.68 1.01 -0.26 -0.50 120.40 127.98 1vhd s VAL 33 Ca -0.01 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1vhd s VAL 33 Cb -0.14 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 1vhd s VAL 33 CO 0.02 0.40 -0.19 0.68 0.00 0.00 0.00 175.10 176.01 1vhd s VAL 34 N 0.77 2.50 0.37 2.92 -7.23 -0.30 -0.26 120.40 119.17 1vhd s VAL 34 Ca 0.05 -0.86 -0.11 0.00 -1.81 0.00 0.00 61.98 59.26 1vhd s VAL 34 Cb -0.13 -2.00 0.04 0.00 0.56 0.00 0.00 36.38 34.85 1vhd s VAL 34 CO 0.02 0.54 0.69 1.07 -0.31 0.00 0.00 175.10 177.11 1vhd n THR 35 N 3.57 0.00 -1.99 5.32 5.66 -0.33 -1.55 114.28 124.96 1vhd n THR 35 Ca -0.19 -1.19 -0.29 0.00 -3.05 0.00 0.00 64.05 59.33 1vhd n THR 35 Cb 0.53 1.00 0.17 0.00 -1.55 0.00 0.00 70.33 70.47 1vhd n THR 35 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1vhd s GLY 36 N -3.05 1.76 0.10 1.09 0.00 -1.26 -2.33 107.32 103.63 1vhd s GLY 36 Ca 0.19 -1.18 -0.17 0.00 0.00 0.00 0.00 44.72 43.56 1vhd s GLY 36 CO 0.14 -0.47 1.54 0.50 0.00 0.00 0.00 173.10 174.81 1vhd h LYS 37 N -1.46 0.52 0.00 2.90 1.57 -1.75 -3.42 116.57 114.94 1vhd h LYS 37 Ca -0.44 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 1vhd h LYS 37 Cb 1.25 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1vhd h LYS 37 CO 0.42 0.67 -0.58 -1.13 -0.57 0.00 0.00 179.45 178.26 1vhd n SER 38 N -4.57 2.05 0.00 0.86 3.41 -1.26 -4.89 113.62 109.22 1vhd n SER 38 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1vhd n SER 38 Cb 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1vhd n SER 38 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1vhd n SER 39 N -2.16 0.00 0.12 4.04 2.88 -1.26 0.72 113.62 117.96 1vhd n SER 39 Ca 0.00 0.42 0.07 0.00 -1.33 0.00 0.00 58.87 58.02 1vhd n SER 39 Cb 0.29 -0.19 0.35 0.00 -0.75 0.00 0.00 64.21 63.91 1vhd n SER 39 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1vhd n SER 40 N -2.14 0.33 0.06 -3.46 3.41 -1.26 -0.54 113.62 110.02 1vhd n SER 40 Ca 0.00 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 1vhd n SER 40 Cb 0.00 -0.59 0.10 0.00 -0.26 0.00 0.00 64.21 63.46 1vhd n SER 40 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1vhd h LYS 41 N 0.00 0.00 0.00 4.33 1.57 -0.05 0.16 116.57 122.58 1vhd h LYS 41 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1vhd h LYS 41 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1vhd h LYS 41 CO 0.00 0.00 -1.80 1.63 -0.57 0.00 0.00 179.45 178.71 1vhd n LYS 42 N -2.21 0.63 -0.22 3.15 5.02 0.30 -4.45 118.16 120.38 1vhd n LYS 42 Ca 0.02 -0.13 0.11 0.00 -2.02 0.00 0.00 58.31 56.29 1vhd n LYS 42 Cb 0.46 -1.40 0.26 0.00 -0.02 0.00 0.00 35.03 34.34 1vhd n LYS 42 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1vhd n ASN 43 N -2.14 3.09 0.00 4.39 0.23 -1.10 -4.94 115.26 114.79 1vhd n ASN 43 Ca -0.06 -1.95 0.00 0.00 -0.53 0.00 0.00 54.58 52.04 1vhd n ASN 43 Cb 0.51 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 1vhd n ASN 43 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1vhd n GLY 44 N 1.43 1.21 0.11 4.83 0.00 -1.26 -4.64 105.19 106.89 1vhd n GLY 44 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 1vhd n GLY 44 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vhd h SER 45 N 0.00 0.28 -0.54 1.61 4.64 -1.90 -0.91 113.55 116.73 1vhd h SER 45 Ca 0.00 -0.45 -0.06 0.00 -0.47 0.00 0.00 61.79 60.81 1vhd h SER 45 Cb 0.00 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 1vhd h SER 45 CO 0.00 0.67 0.11 0.25 -0.87 0.00 0.00 176.83 176.99 1vhd h LEU 46 N -0.11 0.88 -0.56 5.97 5.85 -1.03 0.11 115.31 126.42 1vhd h LEU 46 Ca 0.02 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1vhd h LEU 46 Cb 0.58 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1vhd h LEU 46 CO 0.02 0.87 0.25 -0.78 -0.34 0.00 0.00 178.44 178.47 1vhd h ASP 47 N 0.88 0.75 -0.59 1.25 -0.00 -1.72 0.21 116.42 117.20 1vhd h ASP 47 Ca 0.18 -0.15 -0.08 0.00 -0.00 0.00 0.00 57.03 56.99 1vhd h ASP 47 Cb 0.36 -0.19 -0.02 0.00 -0.00 0.00 0.00 39.33 39.48 1vhd h ASP 47 CO 0.01 0.69 0.06 0.44 -0.00 0.00 0.00 179.24 180.44 1vhd h ASP 48 N 0.76 0.99 -0.24 2.28 3.45 -0.60 -0.89 116.42 122.17 1vhd h ASP 48 Ca 0.19 -0.25 -0.05 0.00 0.43 0.00 0.00 57.03 57.35 1vhd h ASP 48 Cb 0.15 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.65 1vhd h ASP 48 CO -0.02 1.01 -0.06 0.25 -1.57 0.00 0.00 179.24 178.85 1vhd h LEU 49 N 0.96 0.47 -0.70 1.55 5.85 -0.39 -0.12 115.31 122.93 1vhd h LEU 49 Ca 0.19 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.58 1vhd h LEU 49 Cb 0.47 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1vhd h LEU 49 CO 0.02 0.73 0.43 0.11 -0.34 0.00 0.00 178.44 179.38 1vhd h LYS 50 N 0.21 0.79 -0.61 1.25 1.57 -0.44 0.11 116.57 119.46 1vhd h LYS 50 Ca 0.06 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1vhd h LYS 50 Cb 0.52 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1vhd h LYS 50 CO 0.02 0.53 0.21 -0.22 -0.57 0.00 0.00 179.45 179.42 1vhd h LYS 51 N 0.82 0.93 -0.34 3.15 3.64 -0.99 -1.67 116.57 122.11 1vhd h LYS 51 Ca 0.29 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1vhd h LYS 51 Cb 0.07 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1vhd h LYS 51 CO -0.13 0.82 0.18 1.25 -2.27 0.00 0.00 179.45 179.30 1vhd h LEU 52 N 0.86 0.43 -1.24 5.20 5.85 -0.25 -0.73 115.31 125.44 1vhd h LEU 52 Ca 0.20 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1vhd h LEU 52 Cb 0.26 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1vhd h LEU 52 CO -0.01 0.40 0.16 -0.07 -0.34 0.00 0.00 178.44 178.58 1vhd h LEU 53 N 0.42 0.63 -0.16 2.25 3.38 -0.83 -0.42 115.31 120.58 1vhd h LEU 53 Ca 0.12 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1vhd h LEU 53 Cb 0.07 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1vhd h LEU 53 CO -0.02 0.59 -0.12 -0.78 0.09 0.00 0.00 178.44 178.21 1vhd h ASP 54 N 0.68 0.38 -0.93 -0.43 1.82 -0.97 0.61 116.42 117.58 1vhd h ASP 54 Ca 0.16 -0.45 -0.01 0.00 -0.39 0.00 0.00 57.03 56.34 1vhd h ASP 54 Cb 0.18 -0.11 -0.04 0.00 0.68 0.00 0.00 39.33 40.04 1vhd h ASP 54 CO -0.01 0.75 0.53 -0.08 -1.61 0.00 0.00 179.24 178.82 1vhd h GLU 55 N 0.02 1.28 -0.01 0.28 4.57 -0.79 -1.59 114.58 118.34 1vhd h GLU 55 Ca 0.03 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1vhd h GLU 55 Cb 0.62 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1vhd h GLU 55 CO 0.03 0.92 0.00 0.25 -1.18 0.00 0.00 179.01 179.03 1vhd n THR 56 N -4.34 0.01 -3.61 0.32 -2.24 -0.20 -4.93 114.28 99.29 1vhd n THR 56 Ca 0.10 -0.11 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 1vhd n THR 56 Cb 0.08 -0.08 0.05 0.00 -2.10 0.00 0.00 70.33 68.27 1vhd n THR 56 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1vhd n GLU 57 N -0.50 -4.33 -4.04 -0.78 1.02 -0.60 -4.98 120.64 106.43 1vhd n GLU 57 Ca 0.21 0.66 -0.34 0.00 -0.02 0.00 0.00 57.16 57.67 1vhd n GLU 57 Cb 0.21 -5.21 -0.15 0.00 -0.02 0.00 0.00 31.44 26.27 1vhd n GLU 57 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1vhd s ILE 58 N -3.57 2.55 0.74 -3.67 1.01 0.12 -4.94 121.20 113.43 1vhd s ILE 58 Ca 0.12 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 1vhd s ILE 58 Cb -0.03 -2.13 0.04 0.00 0.01 0.00 0.00 42.46 40.35 1vhd s ILE 58 CO 0.80 0.47 1.08 -0.94 0.00 0.00 0.00 174.94 176.35 1vhd s SER 59 N 1.35 4.85 0.17 3.58 1.04 0.06 -4.58 113.70 120.17 1vhd s SER 59 Ca 0.05 1.74 -0.24 0.00 0.48 0.00 0.00 55.95 57.97 1vhd s SER 59 Cb -0.14 -2.51 0.06 0.00 0.10 0.00 0.00 66.02 63.53 1vhd s SER 59 CO -0.09 -1.80 0.94 -0.72 0.98 0.00 0.00 173.24 172.54 1vhd s TYR 60 N -2.96 -0.13 0.08 5.02 -0.85 -1.26 -1.02 117.35 116.23 1vhd s TYR 60 Ca 0.60 -0.20 0.03 0.00 -0.52 0.00 0.00 57.07 56.98 1vhd s TYR 60 Cb -0.16 0.65 -0.03 0.00 0.38 0.00 0.00 41.96 42.80 1vhd s TYR 60 CO 0.56 -0.88 -0.09 -1.21 -1.52 0.00 0.00 175.55 172.41 1vhd s GLU 61 N -3.32 0.74 -0.12 -3.49 0.41 -1.04 -4.97 118.70 106.91 1vhd s GLU 61 Ca 0.12 -1.05 0.03 0.00 -0.41 0.00 0.00 54.97 53.66 1vhd s GLU 61 Cb -0.02 -0.41 0.01 0.00 -1.78 0.00 0.00 34.13 31.93 1vhd s GLU 61 CO 0.03 0.06 -0.22 0.42 -0.49 0.00 0.00 175.26 175.06 1vhd s ILE 62 N -2.28 1.98 -0.50 -1.63 1.01 -1.26 -1.10 121.20 117.41 1vhd s ILE 62 Ca 0.01 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.67 1vhd s ILE 62 Cb -0.04 -1.73 0.13 0.00 0.01 0.00 0.00 42.46 40.83 1vhd s ILE 62 CO -0.01 0.54 0.33 0.12 0.00 0.00 0.00 174.94 175.92 1vhd s PHE 63 N 0.60 3.51 -0.66 3.97 5.36 0.64 -4.95 117.98 126.45 1vhd s PHE 63 Ca -0.13 -2.38 -0.01 0.00 -0.96 0.00 0.00 56.93 53.46 1vhd s PHE 63 Cb -0.17 -3.30 0.42 0.00 -0.34 0.00 0.00 43.02 39.64 1vhd s PHE 63 CO 0.03 -0.94 1.89 -0.40 -1.46 0.00 0.00 175.22 174.34 1vhd n ASP 64 N 4.30 7.18 -0.42 6.13 5.68 -1.26 -1.19 116.55 136.98 1vhd n ASP 64 Ca 0.00 -3.80 0.07 0.00 -0.50 0.00 0.00 54.79 50.57 1vhd n ASP 64 Cb 0.40 -0.90 0.14 0.00 -1.14 0.00 0.00 41.12 39.62 1vhd n ASP 64 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1vhd n GLU 65 N -0.77 1.18 -2.43 0.11 1.02 -1.17 -3.09 120.64 115.49 1vhd n GLU 65 Ca 0.57 -2.66 -0.42 0.00 -0.02 0.00 0.00 57.16 54.63 1vhd n GLU 65 Cb 0.58 -1.34 -0.03 0.00 -0.02 0.00 0.00 31.44 30.63 1vhd n GLU 65 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1vhd s VAL 66 N -2.52 4.10 0.39 2.62 1.01 -0.98 -4.97 120.40 120.05 1vhd s VAL 66 Ca 0.31 1.48 0.02 0.00 0.00 0.00 0.00 61.98 63.80 1vhd s VAL 66 Cb 0.30 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 1vhd s VAL 66 CO -0.03 0.07 0.58 -1.61 0.00 0.00 0.00 175.10 174.12 1vhd s GLU 67 N 1.51 3.14 0.29 2.72 0.41 -1.26 -4.41 118.70 121.10 1vhd s GLU 67 Ca 0.58 -0.65 -0.29 0.00 -0.41 0.00 0.00 54.97 54.20 1vhd s GLU 67 Cb -0.28 -2.67 -0.10 0.00 -1.78 0.00 0.00 34.13 29.30 1vhd s GLU 67 CO 0.27 -0.09 1.40 -1.21 -0.49 0.00 0.00 175.26 175.13 1vhd s GLU 68 N -4.38 4.28 -0.93 1.61 2.02 -1.26 -2.97 118.70 117.06 1vhd s GLU 68 Ca 0.46 2.29 -0.08 0.00 0.02 0.00 0.00 54.97 57.66 1vhd s GLU 68 Cb -0.10 -3.09 -0.01 0.00 0.10 0.00 0.00 34.13 31.03 1vhd s GLU 68 CO 0.35 -0.35 0.75 0.09 0.02 0.00 0.00 175.26 176.12 1vhd n ASN 69 N 1.66 -6.28 -4.73 -0.19 3.02 -1.26 -4.88 115.26 102.59 1vhd n ASN 69 Ca 0.04 -0.64 -0.38 0.00 -0.03 0.00 0.00 54.58 53.57 1vhd n ASN 69 Cb 0.41 -3.99 0.05 0.00 -0.61 0.00 0.00 39.78 35.64 1vhd n ASN 69 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1vhd n PRO 70 N -2.94 1.44 -3.46 3.52 -0.04 -1.16 -4.63 135.00 127.73 1vhd n PRO 70 Ca -0.10 0.54 -0.21 0.00 -0.04 0.00 0.00 63.50 63.69 1vhd n PRO 70 Cb 0.58 -2.53 -0.00 0.00 -0.04 0.00 0.00 33.50 31.51 1vhd n PRO 70 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1vhd s SER 71 N -1.10 5.06 0.21 3.54 1.04 -1.26 -1.29 113.70 119.90 1vhd s SER 71 Ca 0.76 -0.82 -0.10 0.00 0.48 0.00 0.00 55.95 56.27 1vhd s SER 71 Cb -0.40 -0.23 0.22 0.00 0.10 0.00 0.00 66.02 65.71 1vhd s SER 71 CO 0.46 -0.88 1.82 -0.26 0.98 0.00 0.00 173.24 175.35 1vhd h PHE 72 N 0.77 0.72 -0.48 5.02 -1.00 -1.87 -2.01 116.94 118.08 1vhd h PHE 72 Ca -0.38 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.38 1vhd h PHE 72 Cb 1.28 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 40.59 1vhd h PHE 72 CO 0.58 0.37 0.14 -0.44 -1.61 0.00 0.00 178.31 177.34 1vhd h ASP 73 N 0.73 0.66 -0.23 2.17 5.19 -1.96 -2.69 116.42 120.30 1vhd h ASP 73 Ca 0.29 -0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1vhd h ASP 73 Cb 0.13 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 1vhd h ASP 73 CO -0.16 0.64 0.13 -1.13 -3.12 0.00 0.00 179.24 175.61 1vhd h ASN 74 N 0.70 0.29 0.00 6.45 -0.00 -1.77 -0.26 115.58 120.99 1vhd h ASN 74 Ca 0.16 -0.08 0.00 0.00 -0.00 0.00 0.00 56.30 56.38 1vhd h ASN 74 Cb 0.23 -0.07 0.00 0.00 -0.00 0.00 0.00 38.32 38.48 1vhd h ASN 74 CO -0.01 0.28 0.00 0.52 -0.00 0.00 0.00 177.43 178.23 1vhd n VAL 75 N -4.87 0.02 0.00 2.57 0.31 -1.00 -2.79 118.33 112.58 1vhd n VAL 75 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1vhd n VAL 75 Cb 0.07 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 1vhd n VAL 75 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1vhd n LYS 77 N 0.62 0.00 -0.05 5.55 4.81 -0.11 -1.15 118.16 127.83 1vhd n LYS 77 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 1vhd n LYS 77 Cb 0.03 -0.01 -0.06 0.00 0.02 0.00 0.00 35.03 35.00 1vhd n LYS 77 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vhd h ALA 78 N 0.00 0.36 0.22 3.14 0.00 -1.79 -2.54 119.26 118.65 1vhd h ALA 78 Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1vhd h ALA 78 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1vhd h ALA 78 CO 0.00 0.68 -0.11 0.28 0.00 0.00 0.00 179.25 180.10 1vhd h VAL 79 N 0.59 0.82 -0.60 0.00 2.07 -1.43 -1.81 116.25 115.89 1vhd h VAL 79 Ca -0.03 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1vhd h VAL 79 Cb 1.31 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1vhd h VAL 79 CO 0.15 0.04 0.37 -0.33 0.02 0.00 0.00 177.57 177.82 1vhd h GLU 80 N -0.38 0.81 0.00 1.57 5.08 -1.82 0.41 114.58 120.25 1vhd h GLU 80 Ca -0.03 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1vhd h GLU 80 Cb 0.29 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1vhd h GLU 80 CO 0.05 0.56 -0.28 -0.09 -1.00 0.00 0.00 179.01 178.25 1vhd h ARG 81 N 0.82 0.00 -0.03 2.33 2.43 -1.17 -3.28 114.38 115.48 1vhd h ARG 81 Ca 0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1vhd h ARG 81 Cb -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1vhd h ARG 81 CO -0.04 0.28 0.00 0.66 -1.51 0.00 0.00 179.97 179.36 1vhd n TYR 82 N -3.82 0.04 0.32 2.20 4.01 -0.67 -4.68 117.16 114.57 1vhd n TYR 82 Ca -0.01 -0.25 0.13 0.00 -0.16 0.00 0.00 57.90 57.61 1vhd n TYR 82 Cb 0.37 -0.02 0.59 0.00 -0.31 0.00 0.00 39.34 39.97 1vhd n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1vhd h ARG 83 N 0.40 0.00 0.00 -0.72 3.08 -0.28 -1.68 114.38 115.18 1vhd h ARG 83 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1vhd h ARG 83 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1vhd h ARG 83 CO 0.00 0.00 -0.79 -0.91 -1.07 0.00 0.00 179.97 177.20 1vhd h ASN 84 N 0.00 0.00 -2.82 7.04 4.21 -1.83 -3.46 115.58 118.72 1vhd h ASN 84 Ca 0.00 0.00 -0.22 0.00 1.21 0.00 0.00 56.30 57.29 1vhd h ASN 84 Cb 0.27 0.00 0.09 0.00 -1.12 0.00 0.00 38.32 37.57 1vhd h ASN 84 CO 0.00 0.37 0.17 -0.67 -1.29 0.00 0.00 177.43 176.01 1vhd n ASP 85 N -3.01 -0.41 -3.49 5.81 -0.08 -0.63 -5.08 116.55 109.65 1vhd n ASP 85 Ca -0.02 -1.13 -0.23 0.00 -1.51 0.00 0.00 54.79 51.90 1vhd n ASP 85 Cb 0.71 -0.53 -0.13 0.00 2.34 0.00 0.00 41.12 43.51 1vhd n ASP 85 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1vhd s SER 86 N -3.39 2.36 0.04 1.67 0.01 -1.26 -5.08 113.70 108.05 1vhd s SER 86 Ca 0.38 -0.82 0.03 0.00 1.31 0.00 0.00 55.95 56.86 1vhd s SER 86 Cb -0.02 0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.26 1vhd s SER 86 CO 0.28 -0.39 0.01 -0.36 0.41 0.00 0.00 173.24 173.19 1vhd s PHE 87 N 2.23 3.06 -0.06 2.43 0.40 -1.26 -4.87 117.98 119.92 1vhd s PHE 87 Ca 0.08 0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.45 1vhd s PHE 87 Cb -0.15 -1.62 -0.26 0.00 0.51 0.00 0.00 43.02 41.50 1vhd s PHE 87 CO -0.27 0.48 0.61 -0.44 0.70 0.00 0.00 175.22 176.30 1vhd h ASP 88 N 3.87 0.28 -5.15 1.36 3.45 -0.88 -3.49 116.42 115.86 1vhd h ASP 88 Ca -0.48 -0.54 -0.05 0.00 0.43 0.00 0.00 57.03 56.39 1vhd h ASP 88 Cb 1.17 -0.09 -0.11 0.00 -0.56 0.00 0.00 39.33 39.74 1vhd h ASP 88 CO 0.59 1.47 -0.09 0.72 -1.57 0.00 0.00 179.24 180.37 1vhd s PHE 89 N -2.59 0.09 0.04 4.55 -0.12 -1.18 -4.02 117.98 114.75 1vhd s PHE 89 Ca -0.13 -0.45 0.08 0.00 -0.05 0.00 0.00 56.93 56.38 1vhd s PHE 89 Cb 0.07 0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 42.67 1vhd s PHE 89 CO 0.81 -0.88 -0.21 0.08 -0.05 0.00 0.00 175.22 174.97 1vhd s VAL 90 N -3.92 2.56 -0.16 -2.49 1.01 -0.46 -1.88 120.40 115.06 1vhd s VAL 90 Ca 0.13 -1.25 0.01 0.00 0.00 0.00 0.00 61.98 60.87 1vhd s VAL 90 Cb 0.00 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1vhd s VAL 90 CO -0.00 0.35 -0.17 -0.69 0.00 0.00 0.00 175.10 174.59 1vhd s VAL 91 N -0.88 1.81 -0.19 2.92 1.01 0.34 -1.04 120.40 124.38 1vhd s VAL 91 Ca 0.13 -0.79 -0.15 0.00 0.00 0.00 0.00 61.98 61.18 1vhd s VAL 91 Cb -0.10 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1vhd s VAL 91 CO 0.04 0.50 0.35 -0.83 0.00 0.00 0.00 175.10 175.16 1vhd s GLY 92 N 1.36 2.12 -0.12 4.51 0.00 0.49 -1.15 107.32 114.53 1vhd s GLY 92 Ca 0.04 -0.53 -0.00 0.00 0.00 0.00 0.00 44.72 44.23 1vhd s GLY 92 CO -0.11 0.67 -0.10 -2.27 0.00 0.00 0.00 173.10 171.30 1vhd s LEU 93 N 1.04 1.34 0.00 0.66 2.96 -0.60 -0.44 118.68 123.64 1vhd s LEU 93 Ca 0.17 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 1vhd s LEU 93 Cb -0.14 -0.92 0.00 0.00 0.50 0.00 0.00 46.19 45.63 1vhd s LEU 93 CO 0.07 -0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.62 1vhd n GLY 94 N 4.80 0.45 0.00 7.98 0.00 -0.69 -4.10 105.19 113.63 1vhd n GLY 94 Ca -0.14 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1vhd n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vhd n GLY 95 N 0.00 -0.09 0.36 -0.02 0.00 -1.26 -1.42 105.19 102.77 1vhd n GLY 95 Ca 0.00 -1.76 0.06 0.00 0.00 0.00 0.00 46.02 44.32 1vhd n GLY 95 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vhd h GLY 96 N 0.00 1.26 0.99 -0.02 0.00 -1.97 -3.15 103.07 100.18 1vhd h GLY 96 Ca 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 1vhd h GLY 96 CO 0.00 0.24 -0.38 1.76 0.00 0.00 0.00 176.54 178.16 1vhd h SER 97 N 0.92 -0.90 0.00 0.19 0.02 -1.93 0.19 113.55 112.04 1vhd h SER 97 Ca 0.39 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1vhd h SER 97 Cb 0.32 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1vhd h SER 97 CO -0.16 -0.63 0.00 -0.81 -1.14 0.00 0.00 176.83 174.09 1vhd n PRO 98 N -5.54 0.32 0.00 3.45 -0.04 -1.19 -0.82 135.00 131.18 1vhd n PRO 98 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1vhd n PRO 98 Cb 0.42 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1vhd n PRO 98 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1vhd n ASP 100 N 1.27 0.00 -0.20 3.54 10.43 0.05 -0.96 116.55 130.69 1vhd n ASP 100 Ca 0.00 0.00 -0.03 0.00 2.57 0.00 0.00 54.79 57.33 1vhd n ASP 100 Cb 0.16 0.00 0.07 0.00 1.84 0.00 0.00 41.12 43.19 1vhd n ASP 100 CO 0.00 0.00 0.00 0.15 -1.07 0.00 0.00 177.20 176.28 1vhd h PHE 101 N 0.00 0.62 -0.75 1.24 3.57 -1.20 -2.46 116.94 117.96 1vhd h PHE 101 Ca 0.00 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.59 1vhd h PHE 101 Cb 0.00 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.49 1vhd h PHE 101 CO 0.00 0.32 0.43 0.00 -2.23 0.00 0.00 178.31 176.83 1vhd h ALA 102 N 1.29 1.03 -0.62 2.41 0.00 -1.30 -1.10 119.26 120.98 1vhd h ALA 102 Ca 0.26 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1vhd h ALA 102 Cb 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1vhd h ALA 102 CO -0.15 0.12 0.11 0.87 0.00 0.00 0.00 179.25 180.20 1vhd h LYS 103 N 0.78 1.03 -0.05 0.00 1.57 -1.73 -0.28 116.57 117.88 1vhd h LYS 103 Ca 0.34 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1vhd h LYS 103 Cb 0.23 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1vhd h LYS 103 CO -0.20 0.95 0.01 0.00 -0.57 0.00 0.00 179.45 179.65 1vhd h ALA 104 N 1.03 0.07 -0.46 3.86 0.00 -1.10 -2.96 119.26 119.70 1vhd h ALA 104 Ca 0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1vhd h ALA 104 Cb 0.42 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1vhd h ALA 104 CO 0.01 -0.32 0.13 0.28 0.00 0.00 0.00 179.25 179.36 1vhd h VAL 105 N -0.12 1.19 -0.30 0.00 2.07 -1.12 -2.25 116.25 115.71 1vhd h VAL 105 Ca 0.02 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1vhd h VAL 105 Cb 0.22 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1vhd h VAL 105 CO -0.00 0.25 0.19 0.00 0.02 0.00 0.00 177.57 178.03 1vhd h ALA 106 N 1.49 1.77 0.01 1.67 0.00 -0.88 -0.59 119.26 122.72 1vhd h ALA 106 Ca 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1vhd h ALA 106 Cb 0.21 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1vhd h ALA 106 CO -0.01 0.21 -0.15 0.28 0.00 0.00 0.00 179.25 179.58 1vhd h VAL 107 N 0.41 1.70 -0.04 0.00 2.07 -1.31 -1.40 116.25 117.68 1vhd h VAL 107 Ca 0.11 -2.34 -0.02 0.00 0.82 0.00 0.00 66.70 65.27 1vhd h VAL 107 Cb -0.04 3.28 -0.00 0.00 -1.52 0.00 0.00 31.29 33.01 1vhd h VAL 107 CO -0.02 0.59 -0.05 -0.07 0.02 0.00 0.00 177.57 178.03 1vhd h LEU 108 N -0.97 0.05 -0.61 2.57 3.38 -1.23 0.51 115.31 119.00 1vhd h LEU 108 Ca -0.04 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1vhd h LEU 108 Cb 1.06 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1vhd h LEU 108 CO -0.01 0.11 -0.11 -0.07 0.09 0.00 0.00 178.44 178.44 1vhd h LEU 109 N 0.05 0.00 0.00 1.67 3.38 -1.26 -3.27 115.31 115.88 1vhd h LEU 109 Ca 0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 1vhd h LEU 109 Cb 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1vhd h LEU 109 CO 0.01 0.11 -1.01 0.50 0.09 0.00 0.00 178.44 178.14 1vhd h LYS 110 N 0.00 0.00 -4.07 1.13 1.63 -1.40 -3.41 116.57 110.45 1vhd h LYS 110 Ca -0.00 -0.00 -0.77 0.00 -0.85 0.00 0.00 60.65 59.03 1vhd h LYS 110 Cb 0.88 0.00 -0.24 0.00 -0.60 0.00 0.00 32.23 32.26 1vhd h LYS 110 CO 0.01 1.00 0.38 -1.21 -3.45 0.00 0.00 179.45 176.19 1vhd s GLU 111 N -2.34 3.75 0.42 1.90 0.41 0.08 -4.89 118.70 118.03 1vhd s GLU 111 Ca -0.27 -2.48 0.29 0.00 -0.41 0.00 0.00 54.97 52.11 1vhd s GLU 111 Cb 0.04 -4.59 1.46 0.00 -1.78 0.00 0.00 34.13 29.26 1vhd s GLU 111 CO 0.61 -1.40 1.89 0.87 -0.49 0.00 0.00 175.26 176.74 1vhd h LYS 112 N 7.73 0.00 -0.01 1.61 1.57 -1.81 -2.53 116.57 123.13 1vhd h LYS 112 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1vhd h LYS 112 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1vhd h LYS 112 CO 0.90 0.00 -0.11 -0.25 -0.57 0.00 0.00 179.45 179.41 1vhd n ASP 113 N -2.58 1.43 -4.92 0.86 9.92 -1.26 -4.93 116.55 115.07 1vhd n ASP 113 Ca -0.01 -1.30 -0.28 0.00 -0.53 0.00 0.00 54.79 52.67 1vhd n ASP 113 Cb 0.13 0.07 -0.03 0.00 -0.64 0.00 0.00 41.12 40.65 1vhd n ASP 113 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1vhd s LEU 114 N -2.21 4.15 0.44 0.64 1.43 -0.95 -5.11 118.68 117.06 1vhd s LEU 114 Ca 0.32 0.54 0.07 0.00 -1.03 0.00 0.00 54.13 54.03 1vhd s LEU 114 Cb 0.20 -3.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.06 1vhd s LEU 114 CO 0.41 -0.11 0.29 -0.94 0.23 0.00 0.00 176.35 176.23 1vhd s SER 115 N -3.16 4.71 0.27 2.29 1.04 -1.26 -5.00 113.70 112.59 1vhd s SER 115 Ca 0.41 -0.98 -0.03 0.00 0.48 0.00 0.00 55.95 55.84 1vhd s SER 115 Cb -0.11 -0.36 0.36 0.00 0.10 0.00 0.00 66.02 66.01 1vhd s SER 115 CO 0.29 -0.68 1.86 0.58 0.98 0.00 0.00 173.24 176.27 1vhd h VAL 116 N 1.16 1.23 -0.21 5.02 2.07 -1.99 -2.14 116.25 121.38 1vhd h VAL 116 Ca -0.41 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 1vhd h VAL 116 Cb 1.27 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1vhd h VAL 116 CO 0.63 0.28 0.02 -0.08 0.02 0.00 0.00 177.57 178.44 1vhd h GLU 117 N 0.98 0.29 0.00 1.57 4.57 -1.99 -1.52 114.58 118.48 1vhd h GLU 117 Ca 0.23 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 1vhd h GLU 117 Cb 0.15 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1vhd h GLU 117 CO -0.03 0.31 -0.10 -0.44 -1.18 0.00 0.00 179.01 177.57 1vhd h ASP 118 N 0.29 0.00 0.25 1.04 3.32 -1.77 -2.46 116.42 117.09 1vhd h ASP 118 Ca 0.07 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1vhd h ASP 118 Cb 0.17 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1vhd h ASP 118 CO 0.00 0.10 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.55 1vhd h LEU 119 N 0.00 0.00 -0.08 1.55 3.38 -1.28 -0.45 115.31 118.43 1vhd h LEU 119 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vhd h LEU 119 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1vhd h LEU 119 CO 0.01 0.00 -0.07 -1.22 0.09 0.00 0.00 178.44 177.26 1vhd n TYR 120 N -3.09 0.00 -3.41 1.13 4.02 -0.93 -4.57 117.16 110.31 1vhd n TYR 120 Ca -0.02 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.43 1vhd n TYR 120 Cb 0.13 -0.28 -0.07 0.00 -0.02 0.00 0.00 39.34 39.09 1vhd n TYR 120 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1vhd s ASP 121 N -2.63 6.06 0.44 7.72 -1.08 -0.18 -4.95 116.67 122.05 1vhd s ASP 121 Ca 0.25 -1.47 0.21 0.00 -0.52 0.00 0.00 52.55 51.02 1vhd s ASP 121 Cb 0.20 -2.15 1.17 0.00 -1.46 0.00 0.00 42.92 40.68 1vhd s ASP 121 CO 0.49 -0.68 1.85 0.08 0.52 0.00 0.00 175.17 177.44 1vhd h ARG 122 N 8.72 0.31 -0.50 4.34 -0.00 -1.83 -1.20 114.38 124.22 1vhd h ARG 122 Ca -0.28 -0.02 -0.05 0.00 -0.00 0.00 0.00 59.98 59.64 1vhd h ARG 122 Cb 1.10 -0.07 -0.02 0.00 -0.00 0.00 0.00 29.97 30.98 1vhd h ARG 122 CO 0.89 0.20 0.12 0.93 -0.00 0.00 0.00 179.97 182.12 1vhd h GLU 123 N 0.32 0.76 0.00 0.08 3.07 -1.92 -2.89 114.58 114.00 1vhd h GLU 123 Ca 0.48 -0.15 -0.08 0.00 -0.50 0.00 0.00 59.36 59.11 1vhd h GLU 123 Cb 1.33 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 1vhd h GLU 123 CO -0.16 0.69 -0.36 0.87 -1.40 0.00 0.00 179.01 178.65 1vhd h LYS 124 N 0.74 0.00 -5.38 2.33 1.57 -1.50 -3.39 116.57 110.95 1vhd h LYS 124 Ca 0.17 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.26 1vhd h LYS 124 Cb 0.27 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.45 1vhd h LYS 124 CO -0.00 0.36 1.59 0.08 -0.57 0.00 0.00 179.45 180.91 1vhd s VAL 125 N -3.25 4.51 -0.24 0.50 1.01 -1.09 -4.67 120.40 117.17 1vhd s VAL 125 Ca 0.03 -1.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.02 1vhd s VAL 125 Cb 0.08 -5.01 -0.13 0.00 0.00 0.00 0.00 36.38 31.32 1vhd s VAL 125 CO 0.70 -1.79 -0.26 0.29 0.00 0.00 0.00 175.10 174.04 1vhd n LYS 126 N 7.21 0.56 -4.46 2.72 5.02 -1.26 -4.99 118.16 122.95 1vhd n LYS 126 Ca 0.38 0.18 -0.23 0.00 -2.02 0.00 0.00 58.31 56.62 1vhd n LYS 126 Cb 0.46 -1.43 -0.10 0.00 -0.02 0.00 0.00 35.03 33.94 1vhd n LYS 126 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1vhd s HIS 127 N -2.46 2.20 -0.12 2.13 3.76 -1.26 -5.15 115.29 114.39 1vhd s HIS 127 Ca -0.33 -0.42 -0.33 0.00 -0.15 0.00 0.00 55.06 53.83 1vhd s HIS 127 Cb 0.10 -1.04 0.13 0.00 1.11 0.00 0.00 32.58 32.88 1vhd s HIS 127 CO 0.49 0.61 1.09 1.67 -0.85 0.00 0.00 174.74 177.75 1vhd s TRP 128 N -2.63 -0.21 0.36 1.40 -2.14 -1.26 -4.70 118.94 109.76 1vhd s TRP 128 Ca 0.29 0.13 -0.21 0.00 2.66 0.00 0.00 56.10 58.97 1vhd s TRP 128 Cb -0.02 0.52 -0.10 0.00 -3.10 0.00 0.00 33.47 30.77 1vhd s TRP 128 CO 0.14 -0.33 0.89 -0.51 -2.66 0.00 0.00 176.95 174.48 1vhd s LEU 129 N -2.28 4.12 0.65 -4.66 1.43 -0.53 -4.99 118.68 112.42 1vhd s LEU 129 Ca 0.08 1.64 -0.18 0.00 -1.03 0.00 0.00 54.13 54.63 1vhd s LEU 129 Cb -0.01 -4.22 -0.01 0.00 0.03 0.00 0.00 46.19 41.99 1vhd s LEU 129 CO -0.06 -0.21 1.28 -2.84 0.23 0.00 0.00 176.35 174.75 1vhd s PRO 130 N -2.70 2.53 -0.04 1.29 0.02 -1.26 -4.76 135.00 130.09 1vhd s PRO 130 Ca 0.55 2.02 0.06 0.00 0.02 0.00 0.00 61.00 63.65 1vhd s PRO 130 Cb -0.13 -1.85 -0.01 0.00 0.02 0.00 0.00 34.50 32.53 1vhd s PRO 130 CO 0.18 -1.60 -0.21 0.08 -0.33 0.00 0.00 177.00 175.11 1vhd s VAL 131 N -1.46 1.74 -0.09 3.83 1.01 -1.26 -1.36 120.40 122.81 1vhd s VAL 131 Ca 0.82 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1vhd s VAL 131 Cb -0.36 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 1vhd s VAL 131 CO 0.40 0.49 -0.21 -0.69 0.00 0.00 0.00 175.10 175.09 1vhd s VAL 132 N -0.23 2.39 -0.06 2.92 1.01 -0.21 -0.29 120.40 125.92 1vhd s VAL 132 Ca 0.01 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1vhd s VAL 132 Cb -0.11 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1vhd s VAL 132 CO 0.02 0.56 -0.21 -1.61 0.00 0.00 0.00 175.10 173.85 1vhd s GLU 133 N 0.13 2.63 -0.44 2.72 0.41 -0.64 -0.38 118.70 123.13 1vhd s GLU 133 Ca -0.11 -0.83 0.02 0.00 -0.41 0.00 0.00 54.97 53.64 1vhd s GLU 133 Cb -0.16 -2.27 0.14 0.00 -1.78 0.00 0.00 34.13 30.06 1vhd s GLU 133 CO 0.06 0.42 0.24 0.42 -0.49 0.00 0.00 175.26 175.92 1vhd s ILE 134 N -0.25 1.35 0.48 -1.63 1.01 0.42 -1.31 121.20 121.27 1vhd s ILE 134 Ca -0.00 -2.53 -0.22 0.00 0.00 0.00 0.00 60.65 57.89 1vhd s ILE 134 Cb -0.13 -1.95 -0.07 0.00 0.01 0.00 0.00 42.46 40.32 1vhd s ILE 134 CO 0.03 -0.90 1.15 -2.16 0.00 0.00 0.00 174.94 173.05 1vhd s PRO 135 N 0.37 3.66 0.00 2.79 0.04 -1.25 -1.70 135.00 138.91 1vhd s PRO 135 Ca 0.18 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1vhd s PRO 135 Cb -0.24 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.01 1vhd s PRO 135 CO -0.00 -0.62 0.56 0.25 0.04 0.00 0.00 177.00 177.24 1vhd n THR 136 N -0.70 0.32 -4.33 1.26 -2.24 -0.50 -4.64 114.28 103.44 1vhd n THR 136 Ca 0.08 -0.45 -0.18 0.00 -2.27 0.00 0.00 64.05 61.23 1vhd n THR 136 Cb 0.49 1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.65 1vhd n THR 136 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1vhd s THR 137 N -0.32 1.64 -0.57 4.28 -4.23 -1.26 -4.14 115.64 111.04 1vhd s THR 137 Ca 0.00 -2.18 0.06 0.00 -1.18 0.00 0.00 61.69 58.38 1vhd s THR 137 Cb 0.00 -2.03 0.22 0.00 1.34 0.00 0.00 72.50 72.03 1vhd s THR 137 CO 0.00 -0.61 0.57 0.00 -0.54 0.00 0.00 174.62 174.05 1vhd n ALA 138 N -0.36 3.37 0.00 3.99 0.00 -1.26 -4.49 120.51 121.76 1vhd n ALA 138 Ca -0.08 -4.17 0.00 0.00 0.00 0.00 0.00 53.44 49.19 1vhd n ALA 138 Cb 0.61 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1vhd n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vhd n GLY 139 N 1.55 2.68 0.15 0.00 0.00 0.04 -2.98 105.19 106.64 1vhd n GLY 139 Ca 0.25 -0.93 0.08 0.00 0.00 0.00 0.00 46.02 45.42 1vhd n GLY 139 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1vhd h THR 140 N 0.94 0.27 -0.18 2.61 1.35 -1.83 -3.16 112.91 112.91 1vhd h THR 140 Ca 0.00 -1.43 -0.08 0.00 -0.55 0.00 0.00 66.41 64.35 1vhd h THR 140 Cb 0.00 1.94 -0.03 0.00 -1.73 0.00 0.00 68.15 68.33 1vhd h THR 140 CO 0.00 0.15 -0.07 0.61 -0.25 0.00 0.00 175.52 175.96 1vhd n GLY 141 N 1.20 0.62 0.33 5.82 0.00 -1.26 -4.69 105.19 107.21 1vhd n GLY 141 Ca -0.00 -0.26 0.20 0.00 0.00 0.00 0.00 46.02 45.95 1vhd n GLY 141 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1vhd h SER 142 N 0.00 0.00 0.49 1.61 0.87 -1.92 -1.47 113.55 113.12 1vhd h SER 142 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1vhd h SER 142 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1vhd h SER 142 CO 0.11 0.00 0.00 1.05 -0.53 0.00 0.00 176.83 177.46 1vhd h GLU 143 N 0.00 0.00 0.00 2.24 9.09 -1.94 -2.99 114.58 120.98 1vhd h GLU 143 Ca 0.01 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.39 1vhd h GLU 143 Cb 0.13 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.16 1vhd h GLU 143 CO -0.00 0.00 -0.40 1.33 0.05 0.00 0.00 179.01 179.99 1vhd n VAL 144 N -2.32 1.27 -4.38 -1.06 0.24 -0.56 -4.60 118.33 106.93 1vhd n VAL 144 Ca 0.01 -1.85 -0.20 0.00 -2.04 0.00 0.00 64.34 60.26 1vhd n VAL 144 Cb 0.16 0.11 -0.10 0.00 -1.47 0.00 0.00 33.84 32.55 1vhd n VAL 144 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1vhd s THR 145 N -1.91 1.59 -1.75 3.34 -4.23 -1.13 -4.73 115.64 106.82 1vhd s THR 145 Ca 0.27 -2.14 0.22 0.00 -1.18 0.00 0.00 61.69 58.85 1vhd s THR 145 Cb 0.26 -2.28 0.67 0.00 1.34 0.00 0.00 72.50 72.49 1vhd s THR 145 CO -0.03 -0.42 1.57 -0.81 -0.54 0.00 0.00 174.62 174.39 1vhd n PRO 146 N -0.49 3.00 -3.17 3.99 -0.04 -1.26 -4.40 135.00 132.64 1vhd n PRO 146 Ca -0.06 -2.73 -0.30 0.00 -0.04 0.00 0.00 63.50 60.36 1vhd n PRO 146 Cb 0.62 -1.66 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 1vhd n PRO 146 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1vhd s TYR 147 N -1.22 3.45 -0.05 0.54 4.12 -1.26 0.65 117.35 123.57 1vhd s TYR 147 Ca 0.50 0.90 -0.02 0.00 0.02 0.00 0.00 57.07 58.47 1vhd s TYR 147 Cb 0.28 -2.31 0.03 0.00 -1.52 0.00 0.00 41.96 38.44 1vhd s TYR 147 CO 0.31 0.09 0.11 0.45 0.02 0.00 0.00 175.55 176.54 1vhd s SER 148 N -2.87 -0.07 -0.12 2.29 0.15 -0.75 -4.81 113.70 107.52 1vhd s SER 148 Ca 0.48 0.23 0.03 0.00 0.70 0.00 0.00 55.95 57.39 1vhd s SER 148 Cb -0.11 0.13 0.01 0.00 -1.71 0.00 0.00 66.02 64.34 1vhd s SER 148 CO 0.27 -0.14 -0.21 -0.63 1.20 0.00 0.00 173.24 173.73 1vhd s ILE 149 N 1.08 1.94 0.20 6.45 1.09 -1.26 -1.08 121.20 129.62 1vhd s ILE 149 Ca -0.09 -0.93 0.04 0.00 -1.10 0.00 0.00 60.65 58.58 1vhd s ILE 149 Cb -0.11 -1.70 -0.05 0.00 -1.06 0.00 0.00 42.46 39.54 1vhd s ILE 149 CO -0.05 0.53 -0.04 -0.76 -0.10 0.00 0.00 174.94 174.52 1vhd s LEU 150 N 0.63 2.30 -0.28 2.97 1.43 -1.02 -4.72 118.68 120.00 1vhd s LEU 150 Ca -0.12 -1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 51.71 1vhd s LEU 150 Cb -0.16 -0.30 -0.05 0.00 0.03 0.00 0.00 46.19 45.71 1vhd s LEU 150 CO 0.03 -0.45 0.21 -0.89 0.23 0.00 0.00 176.35 175.48 1vhd s THR 151 N -3.38 5.30 0.90 5.49 2.01 -0.41 -1.03 115.64 124.52 1vhd s THR 151 Ca 0.25 0.21 -0.13 0.00 0.31 0.00 0.00 61.69 62.33 1vhd s THR 151 Cb 0.05 -3.55 0.14 0.00 0.01 0.00 0.00 72.50 69.15 1vhd s THR 151 CO 0.06 0.24 1.17 1.51 -0.69 0.00 0.00 174.62 176.92 1vhd s ASP 152 N 1.74 3.62 0.42 3.53 3.84 -0.32 -2.82 116.67 126.68 1vhd s ASP 152 Ca 0.08 0.80 0.19 0.00 -0.00 0.00 0.00 52.55 53.62 1vhd s ASP 152 Cb -0.16 -1.26 1.12 0.00 -1.38 0.00 0.00 42.92 41.24 1vhd s ASP 152 CO 0.11 -2.47 1.83 -0.65 -0.00 0.00 0.00 175.17 173.99 1vhd h PRO 153 N -1.44 0.36 0.00 2.11 0.11 -1.98 0.49 132.00 131.65 1vhd h PRO 153 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1vhd h PRO 153 Cb 1.32 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1vhd h PRO 153 CO 0.59 0.24 0.00 0.39 -0.21 0.00 0.00 178.00 179.01 1vhd n GLU 154 N -4.52 0.49 -0.94 1.05 4.71 -1.26 -4.85 120.64 115.32 1vhd n GLU 154 Ca 0.21 0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.41 1vhd n GLU 154 Cb 0.78 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.71 1vhd n GLU 154 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1vhd n GLY 155 N 0.44 0.43 3.74 0.62 0.00 0.17 -5.05 105.19 105.54 1vhd n GLY 155 Ca 0.13 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 1vhd n GLY 155 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vhd s ASN 156 N -2.83 5.62 -0.08 1.61 0.01 -1.25 -4.82 114.94 113.20 1vhd s ASN 156 Ca 0.00 0.23 -0.30 0.00 -0.71 0.00 0.00 52.86 52.09 1vhd s ASN 156 Cb 0.00 -1.71 -0.03 0.00 0.41 0.00 0.00 41.25 39.91 1vhd s ASN 156 CO 0.00 0.36 1.35 -0.54 -1.51 0.00 0.00 177.10 176.76 1vhd s LYS 157 N -0.78 4.26 -0.08 -0.60 -0.14 -1.26 -1.17 119.74 119.96 1vhd s LYS 157 Ca 0.12 1.82 -0.00 0.00 -1.36 0.00 0.00 55.97 56.56 1vhd s LYS 157 Cb -0.12 -3.71 0.02 0.00 -1.68 0.00 0.00 37.83 32.35 1vhd s LYS 157 CO 0.03 -0.64 -0.04 1.03 -0.76 0.00 0.00 175.35 174.96 1vhd s ARG 158 N 3.04 1.05 0.23 1.68 0.52 -0.20 -4.97 118.95 120.30 1vhd s ARG 158 Ca 0.60 -0.09 0.04 0.00 -0.52 0.00 0.00 55.73 55.76 1vhd s ARG 158 Cb -0.27 -1.21 -0.03 0.00 0.52 0.00 0.00 34.95 33.97 1vhd s ARG 158 CO 0.21 -0.24 0.37 0.20 0.02 0.00 0.00 175.30 175.87 1vhd s GLY 159 N 1.64 1.36 0.09 -3.53 0.00 -1.26 -2.43 107.32 103.20 1vhd s GLY 159 Ca 0.01 -1.12 -0.03 0.00 0.00 0.00 0.00 44.72 43.58 1vhd s GLY 159 CO -0.05 -1.12 0.06 0.00 0.00 0.00 0.00 173.10 171.99 1vhd s THR 161 N -3.96 3.88 0.00 0.00 2.01 -1.26 -1.81 115.64 114.50 1vhd s THR 161 Ca 0.13 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.81 1vhd s THR 161 Cb 0.07 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.80 1vhd s THR 161 CO -0.05 0.40 0.00 0.18 -0.69 0.00 0.00 174.62 174.45 1vhd n LEU 162 N 4.67 0.00 -4.38 4.42 4.77 0.21 -4.92 117.00 121.77 1vhd n LEU 162 Ca -0.17 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.50 1vhd n LEU 162 Cb 0.51 -0.04 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 1vhd n LEU 162 CO 0.30 -0.21 -0.52 -0.36 -1.33 0.00 0.00 177.39 175.27 1vhd s PHE 164 N -0.42 2.47 0.57 -1.77 0.40 -1.26 -4.94 117.98 113.02 1vhd s PHE 164 Ca 0.00 -0.33 -0.20 0.00 -0.60 0.00 0.00 56.93 55.80 1vhd s PHE 164 Cb 0.00 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.97 1vhd s PHE 164 CO 0.00 0.09 1.24 -2.14 0.70 0.00 0.00 175.22 175.11 1vhd s PRO 165 N -0.85 3.09 0.08 0.24 0.02 -1.26 -4.77 135.00 131.55 1vhd s PRO 165 Ca 0.11 1.93 -0.14 0.00 0.02 0.00 0.00 61.00 62.92 1vhd s PRO 165 Cb -0.10 -2.06 -0.20 0.00 0.02 0.00 0.00 34.50 32.15 1vhd s PRO 165 CO 0.01 -1.14 1.22 0.28 -0.33 0.00 0.00 177.00 177.04 1vhd h VAL 166 N 1.13 1.29 -3.99 3.83 2.07 -1.03 -3.36 116.25 116.20 1vhd h VAL 166 Ca -0.50 -2.11 -0.36 0.00 0.82 0.00 0.00 66.70 64.54 1vhd h VAL 166 Cb 1.29 2.25 -0.25 0.00 -1.52 0.00 0.00 31.29 33.06 1vhd h VAL 166 CO 0.56 0.65 -0.77 -0.31 0.02 0.00 0.00 177.57 177.73 1vhd s TYR 167 N -3.48 0.87 -0.06 1.57 1.51 -1.24 -1.30 117.35 115.22 1vhd s TYR 167 Ca -0.10 -0.33 0.03 0.00 -1.01 0.00 0.00 57.07 55.65 1vhd s TYR 167 Cb 0.07 -0.53 0.01 0.00 -0.11 0.00 0.00 41.96 41.40 1vhd s TYR 167 CO 0.90 -0.01 -0.13 0.00 -1.11 0.00 0.00 175.55 175.20 1vhd s ALA 168 N -0.82 1.30 -0.20 3.71 0.00 -0.73 -1.62 121.76 123.40 1vhd s ALA 168 Ca -0.02 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1vhd s ALA 168 Cb -0.07 -0.56 0.04 0.00 0.00 0.00 0.00 23.12 22.53 1vhd s ALA 168 CO 0.01 0.14 -0.15 -0.06 0.00 0.00 0.00 175.76 175.69 1vhd s PHE 169 N 0.58 2.79 -0.30 0.00 0.40 -0.43 -1.00 117.98 120.01 1vhd s PHE 169 Ca -0.13 -1.79 -0.03 0.00 -0.60 0.00 0.00 56.93 54.38 1vhd s PHE 169 Cb -0.15 -1.83 0.04 0.00 0.51 0.00 0.00 43.02 41.59 1vhd s PHE 169 CO 0.04 -0.80 0.01 -0.51 0.70 0.00 0.00 175.22 174.65 1vhd s LEU 170 N 1.28 3.84 -0.32 -0.37 1.02 0.20 -3.91 118.68 120.41 1vhd s LEU 170 Ca -0.00 -1.15 -0.04 0.00 0.02 0.00 0.00 54.13 52.95 1vhd s LEU 170 Cb -0.16 -1.74 0.05 0.00 0.02 0.00 0.00 46.19 44.37 1vhd s LEU 170 CO -0.09 -0.24 0.06 -0.62 0.02 0.00 0.00 176.35 175.47 1vhd s ASP 171 N 1.30 5.12 0.57 2.29 3.68 -1.26 -0.90 116.67 127.47 1vhd s ASP 171 Ca -0.03 -1.24 0.27 0.00 2.13 0.00 0.00 52.55 53.67 1vhd s ASP 171 Cb -0.19 -1.80 1.54 0.00 -1.45 0.00 0.00 42.92 41.02 1vhd s ASP 171 CO -0.01 -0.31 2.04 1.55 0.13 0.00 0.00 175.17 178.58 1vhd h PRO 172 N 8.11 0.00 -0.48 4.34 0.13 -1.95 -2.06 132.00 140.09 1vhd h PRO 172 Ca -0.22 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.98 1vhd h PRO 172 Cb 1.07 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 1vhd h PRO 172 CO 0.58 0.00 0.32 0.00 -0.23 0.00 0.00 178.00 178.67 1vhd h ARG 173 N 0.00 0.38 0.00 0.86 3.08 -1.94 -1.64 114.38 115.12 1vhd h ARG 173 Ca 0.14 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 1vhd h ARG 173 Cb 0.70 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 1vhd h ARG 173 CO -0.00 0.25 -0.10 1.88 -1.07 0.00 0.00 179.97 180.93 1vhd h TYR 174 N 0.39 0.00 0.00 3.04 0.99 -1.63 -2.50 116.97 117.26 1vhd h TYR 174 Ca 0.21 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.94 1vhd h TYR 174 Cb 0.34 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.07 1vhd h TYR 174 CO -0.00 0.10 -0.27 0.25 -0.00 0.00 0.00 178.16 178.25 1vhd n THR 175 N -3.85 0.45 0.30 -2.88 -2.24 -0.62 -3.77 114.28 101.67 1vhd n THR 175 Ca -0.02 -0.26 0.17 0.00 -2.27 0.00 0.00 64.05 61.67 1vhd n THR 175 Cb 0.20 -0.37 0.80 0.00 -2.10 0.00 0.00 70.33 68.86 1vhd n THR 175 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1vhd h TYR 176 N 0.00 0.00 -1.57 4.78 0.05 -1.49 -3.47 116.97 115.27 1vhd h TYR 176 Ca 0.00 0.00 -0.69 0.00 0.05 0.00 0.00 58.73 58.09 1vhd h TYR 176 Cb 0.72 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.33 1vhd h TYR 176 CO 0.00 0.00 1.61 -1.54 -1.05 0.00 0.00 178.16 177.18 1vhd s SER 177 N -5.08 6.84 0.35 3.88 1.04 -1.25 -5.12 113.70 114.36 1vhd s SER 177 Ca -0.01 -2.44 0.09 0.00 0.48 0.00 0.00 55.95 54.08 1vhd s SER 177 Cb 0.10 -2.49 -0.06 0.00 0.10 0.00 0.00 66.02 63.67 1vhd s SER 177 CO 0.44 -1.06 -0.02 -0.94 0.98 0.00 0.00 173.24 172.64 1vhd s SER 179 N 3.77 4.01 0.25 7.02 1.04 -1.26 -5.11 113.70 123.42 1vhd s SER 179 Ca 0.46 -1.09 -0.06 0.00 0.48 0.00 0.00 55.95 55.74 1vhd s SER 179 Cb -0.00 -0.46 0.26 0.00 0.10 0.00 0.00 66.02 65.93 1vhd s SER 179 CO 0.00 -0.25 1.93 0.44 0.98 0.00 0.00 173.24 176.34 1vhd h ASP 180 N 1.87 1.15 -0.32 7.02 3.45 -1.96 -0.90 116.42 126.73 1vhd h ASP 180 Ca -0.43 -0.03 -0.04 0.00 0.43 0.00 0.00 57.03 56.97 1vhd h ASP 180 Cb 1.25 -0.29 -0.01 0.00 -0.56 0.00 0.00 39.33 39.72 1vhd h ASP 180 CO 0.69 0.84 0.06 -0.08 -1.57 0.00 0.00 179.24 179.18 1vhd h GLU 181 N 1.36 0.53 -0.55 3.56 4.57 -1.99 -1.18 114.58 120.88 1vhd h GLU 181 Ca 0.37 -0.14 -0.08 0.00 -1.18 0.00 0.00 59.36 58.33 1vhd h GLU 181 Cb -0.15 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.35 1vhd h GLU 181 CO -0.08 0.61 0.04 1.25 -1.18 0.00 0.00 179.01 179.65 1vhd h LEU 182 N 0.36 0.89 -0.69 1.64 5.85 -1.93 0.07 115.31 121.49 1vhd h LEU 182 Ca 0.10 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1vhd h LEU 182 Cb 0.33 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1vhd h LEU 182 CO 0.00 0.92 0.34 0.74 -0.34 0.00 0.00 178.44 180.11 1vhd h THR 183 N 0.86 1.23 0.27 1.05 2.02 -1.01 -0.02 112.91 117.31 1vhd h THR 183 Ca 0.17 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1vhd h THR 183 Cb 0.45 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1vhd h THR 183 CO 0.02 0.27 -0.13 0.25 0.37 0.00 0.00 175.52 176.30 1vhd h LEU 184 N 0.96 -0.30 0.05 2.58 5.85 -0.70 -1.11 115.31 122.64 1vhd h LEU 184 Ca 0.24 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1vhd h LEU 184 Cb 0.11 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1vhd h LEU 184 CO -0.03 -0.07 -0.02 -1.28 -0.34 0.00 0.00 178.44 176.70 1vhd h SER 185 N -0.54 -0.06 0.06 1.25 0.87 -0.84 -0.98 113.55 113.32 1vhd h SER 185 Ca -0.04 -0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 60.36 1vhd h SER 185 Cb 0.40 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1vhd h SER 185 CO 0.06 0.07 -0.19 0.71 -0.53 0.00 0.00 176.83 176.95 1vhd h THR 186 N -0.18 1.21 -0.40 2.23 1.35 -1.08 -1.52 112.91 114.52 1vhd h THR 186 Ca -0.01 -0.96 -0.10 0.00 -0.55 0.00 0.00 66.41 64.79 1vhd h THR 186 Cb 0.15 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 67.87 1vhd h THR 186 CO 0.01 0.29 -0.17 1.23 -0.25 0.00 0.00 175.52 176.64 1vhd h GLY 187 N 0.86 0.82 2.00 5.82 0.00 -0.92 0.40 103.07 112.05 1vhd h GLY 187 Ca 0.04 -0.65 -0.13 0.00 0.00 0.00 0.00 47.33 46.59 1vhd h GLY 187 CO 0.03 0.60 -0.60 -2.08 0.00 0.00 0.00 176.54 174.49 1vhd h VAL 188 N 0.67 1.29 -0.14 4.60 2.07 -0.74 -1.41 116.25 122.58 1vhd h VAL 188 Ca 0.11 -2.17 -0.02 0.00 0.82 0.00 0.00 66.70 65.44 1vhd h VAL 188 Cb 0.65 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 1vhd h VAL 188 CO 0.05 0.59 0.03 -0.78 0.02 0.00 0.00 177.57 177.47 1vhd h ASP 189 N 0.00 0.22 -0.82 0.57 3.58 -0.89 0.12 116.42 119.22 1vhd h ASP 189 Ca -0.01 -0.25 0.01 0.00 0.42 0.00 0.00 57.03 57.21 1vhd h ASP 189 Cb 1.17 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 42.12 1vhd h ASP 189 CO 0.08 0.42 0.54 0.00 -2.88 0.00 0.00 179.24 177.39 1vhd h ALA 190 N 0.82 1.04 -0.34 -0.78 0.00 -1.15 -0.55 119.26 118.28 1vhd h ALA 190 Ca 0.04 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1vhd h ALA 190 Cb 0.29 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1vhd h ALA 190 CO 0.00 0.43 0.21 1.25 0.00 0.00 0.00 179.25 181.14 1vhd h LEU 191 N 1.09 0.34 -0.91 0.00 6.46 -0.91 -1.81 115.31 119.57 1vhd h LEU 191 Ca 0.30 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 58.04 1vhd h LEU 191 Cb -0.11 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 39.71 1vhd h LEU 191 CO -0.07 0.25 0.43 0.77 -0.62 0.00 0.00 178.44 179.19 1vhd h SER 192 N 0.42 1.09 -0.30 1.25 4.64 -0.11 0.24 113.55 120.78 1vhd h SER 192 Ca 0.13 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1vhd h SER 192 Cb -0.01 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 1vhd h SER 192 CO -0.06 0.90 0.18 0.45 -0.87 0.00 0.00 176.83 177.44 1vhd h HIS 193 N 1.20 0.40 -0.23 4.77 3.86 -0.72 0.31 115.15 124.74 1vhd h HIS 193 Ca 0.29 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.48 1vhd h HIS 193 Cb 0.09 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1vhd h HIS 193 CO 0.01 0.31 0.05 0.00 0.86 0.00 0.00 177.93 179.16 1vhd h ALA 194 N 1.06 0.31 -0.16 2.45 0.00 -1.01 -0.75 119.26 121.16 1vhd h ALA 194 Ca 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1vhd h ALA 194 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1vhd h ALA 194 CO -0.02 -0.03 0.03 0.28 0.00 0.00 0.00 179.25 179.51 1vhd h VAL 195 N 0.19 1.22 -0.56 0.00 2.07 -0.81 -1.78 116.25 116.59 1vhd h VAL 195 Ca 0.07 -0.71 -0.08 0.00 0.82 0.00 0.00 66.70 66.80 1vhd h VAL 195 Cb 0.30 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1vhd h VAL 195 CO 0.00 0.21 0.02 -0.33 0.02 0.00 0.00 177.57 177.49 1vhd h GLU 196 N 0.04 0.95 -0.46 1.57 5.08 -0.39 -1.14 114.58 120.23 1vhd h GLU 196 Ca 0.05 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 1vhd h GLU 196 Cb 0.30 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1vhd h GLU 196 CO 0.00 0.93 -0.03 0.78 -1.00 0.00 0.00 179.01 179.69 1vhd h GLY 197 N 1.00 0.83 1.24 -3.84 0.00 -1.07 0.15 103.07 101.38 1vhd h GLY 197 Ca 0.17 -0.56 -0.17 0.00 0.00 0.00 0.00 47.33 46.76 1vhd h GLY 197 CO 0.02 0.52 -0.49 -1.82 0.00 0.00 0.00 176.54 174.77 1vhd h TYR 198 N 0.71 1.01 0.00 5.60 3.20 -1.02 -3.27 116.97 123.19 1vhd h TYR 198 Ca 0.14 -0.34 0.00 0.00 3.14 0.00 0.00 58.73 61.67 1vhd h TYR 198 Cb 0.48 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.55 1vhd h TYR 198 CO 0.02 1.14 -0.53 -0.07 -1.64 0.00 0.00 178.16 177.08 1vhd h LEU 199 N 0.64 0.00-10.00 2.82 3.38 -1.02 -3.45 115.31 107.68 1vhd h LEU 199 Ca 0.03 -0.03 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1vhd h LEU 199 Cb 1.08 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.99 1vhd h LEU 199 CO 0.11 0.01 0.32 -1.54 0.09 0.00 0.00 178.44 177.43 1vhd n SER 200 N -2.72 1.37 0.14 -0.43 3.41 0.51 -4.61 113.62 111.29 1vhd n SER 200 Ca 0.02 0.78 0.12 0.00 -0.26 0.00 0.00 58.87 59.54 1vhd n SER 200 Cb 0.52 -1.48 0.51 0.00 -0.26 0.00 0.00 64.21 63.50 1vhd n SER 200 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1vhd h ARG 201 N 0.32 0.00 -0.58 4.33 3.08 -1.59 -1.77 114.38 118.17 1vhd h ARG 201 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1vhd h ARG 201 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.40 1vhd h ARG 201 CO 0.51 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 181.04 1vhd n LYS 202 N -2.30 2.67 -1.76 0.04 5.02 -1.26 -4.96 118.16 115.61 1vhd n LYS 202 Ca 0.02 -2.01 -0.38 0.00 -2.02 0.00 0.00 58.31 53.91 1vhd n LYS 202 Cb 0.22 -1.59 0.04 0.00 -0.02 0.00 0.00 35.03 33.68 1vhd n LYS 202 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1vhd s SER 203 N -0.88 5.21 0.20 4.39 1.04 -0.67 -4.56 113.70 118.43 1vhd s SER 203 Ca 0.37 2.79 0.03 0.00 0.48 0.00 0.00 55.95 59.61 1vhd s SER 203 Cb 0.22 -2.64 -0.05 0.00 0.10 0.00 0.00 66.02 63.65 1vhd s SER 203 CO 0.21 -1.61 -0.01 0.42 0.98 0.00 0.00 173.24 173.22 1vhd s THR 204 N -1.29 0.89 0.12 2.02 -4.23 -1.26 -4.90 115.64 106.99 1vhd s THR 204 Ca 0.72 -2.01 -0.19 0.00 -1.18 0.00 0.00 61.69 59.02 1vhd s THR 204 Cb -0.41 -2.20 -0.06 0.00 1.34 0.00 0.00 72.50 71.17 1vhd s THR 204 CO 0.48 -0.43 1.77 -0.65 -0.54 0.00 0.00 174.62 175.25 1vhd h PRO 205 N 2.60 0.23 -0.54 3.99 0.11 -1.98 0.97 132.00 137.37 1vhd h PRO 205 Ca -0.37 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.69 1vhd h PRO 205 Cb 1.21 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1vhd h PRO 205 CO 0.63 0.15 0.20 -1.35 -0.21 0.00 0.00 178.00 177.42 1vhd h PRO 206 N 0.23 0.83 -0.18 1.05 0.11 -1.97 -1.34 132.00 130.73 1vhd h PRO 206 Ca 0.08 -0.16 -0.10 0.00 0.11 0.00 0.00 66.00 65.93 1vhd h PRO 206 Cb 0.01 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 1vhd h PRO 206 CO -0.05 0.74 -0.32 0.66 -0.21 0.00 0.00 178.00 178.82 1vhd h SER 207 N 0.75 0.38 -0.62 -2.05 4.64 -1.90 -2.18 113.55 112.57 1vhd h SER 207 Ca 0.18 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 1vhd h SER 207 Cb 0.24 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 1vhd h SER 207 CO -0.01 0.69 0.20 0.44 -0.87 0.00 0.00 176.83 177.28 1vhd h ASP 208 N 0.32 0.89 -0.31 4.97 3.45 -0.50 0.13 116.42 125.36 1vhd h ASP 208 Ca 0.04 -0.20 0.01 0.00 0.43 0.00 0.00 57.03 57.31 1vhd h ASP 208 Cb 0.73 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 39.25 1vhd h ASP 208 CO 0.06 0.85 0.18 0.00 -1.57 0.00 0.00 179.24 178.75 1vhd h ALA 209 N 1.07 0.39 -0.32 3.45 0.00 -0.88 0.16 119.26 123.14 1vhd h ALA 209 Ca 0.20 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1vhd h ALA 209 Cb 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1vhd h ALA 209 CO -0.01 -0.19 -0.28 -0.07 0.00 0.00 0.00 179.25 178.71 1vhd h LEU 210 N 0.37 0.68 -0.44 0.00 3.38 -1.20 -2.89 115.31 115.22 1vhd h LEU 210 Ca 0.12 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 1vhd h LEU 210 Cb 0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1vhd h LEU 210 CO -0.06 0.92 -0.18 0.00 0.09 0.00 0.00 178.44 179.21 1vhd h ALA 211 N 1.12 0.61 -0.31 1.53 0.00 -0.30 -1.11 119.26 120.81 1vhd h ALA 211 Ca 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1vhd h ALA 211 Cb 0.77 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1vhd h ALA 211 CO 0.06 0.57 0.16 0.82 0.00 0.00 0.00 179.25 180.86 1vhd h ILE 212 N 0.73 1.14 -0.55 0.00 2.04 -0.94 -2.72 117.51 117.21 1vhd h ILE 212 Ca 0.10 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 1vhd h ILE 212 Cb 0.75 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1vhd h ILE 212 CO 0.06 0.15 0.16 -0.08 0.00 0.00 0.00 178.15 178.44 1vhd h GLU 213 N 0.37 0.86 -0.77 2.37 4.57 -1.47 -1.90 114.58 118.61 1vhd h GLU 213 Ca 0.11 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1vhd h GLU 213 Cb 0.09 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1vhd h GLU 213 CO -0.02 0.79 0.00 0.00 -1.18 0.00 0.00 179.01 178.60 1vhd n ALA 214 N -2.38 1.18 0.00 2.92 0.00 -0.43 -1.31 120.51 120.49 1vhd n ALA 214 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1vhd n ALA 214 Cb 0.21 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1vhd n ALA 214 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1vhd n LYS 216 N 0.69 0.00 -0.10 0.00 5.02 -0.72 -1.22 118.16 121.84 1vhd n LYS 216 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1vhd n LYS 216 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 1vhd n LYS 216 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1vhd h ILE 217 N 0.00 1.18 -0.53 -0.18 2.04 -1.47 -2.39 117.51 116.15 1vhd h ILE 217 Ca 0.00 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 1vhd h ILE 217 Cb 0.00 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1vhd h ILE 217 CO 0.00 0.18 0.19 0.40 0.00 0.00 0.00 178.15 178.93 1vhd h ILE 218 N 0.36 1.23 -0.68 -0.67 2.04 -1.42 -0.18 117.51 118.18 1vhd h ILE 218 Ca 0.10 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.27 1vhd h ILE 218 Cb 0.17 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 1vhd h ILE 218 CO -0.01 0.27 0.42 -0.74 0.00 0.00 0.00 178.15 178.09 1vhd h HIS 219 N 0.73 0.78 0.00 1.37 2.76 -1.79 0.44 115.15 119.44 1vhd h HIS 219 Ca 0.18 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.28 1vhd h HIS 219 Cb 0.24 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 1vhd h HIS 219 CO 0.01 0.44 -0.42 0.00 -1.30 0.00 0.00 177.93 176.66 1vhd h ARG 220 N 0.81 0.00 0.00 5.26 3.08 -1.15 -3.39 114.38 118.99 1vhd h ARG 220 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1vhd h ARG 220 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1vhd h ARG 220 CO -0.12 0.42 -1.31 0.09 -1.07 0.00 0.00 179.97 177.98 1vhd n ASN 221 N -3.34 3.28 -0.15 7.04 3.02 -0.10 -4.76 115.26 120.25 1vhd n ASN 221 Ca 0.01 -0.01 -0.05 0.00 -0.03 0.00 0.00 54.58 54.50 1vhd n ASN 221 Cb 0.62 1.32 0.04 0.00 -0.61 0.00 0.00 39.78 41.15 1vhd n ASN 221 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1vhd h LEU 222 N 0.00 0.32 -0.38 3.41 5.85 -1.12 0.70 115.31 124.10 1vhd h LEU 222 Ca 0.00 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1vhd h LEU 222 Cb 0.33 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1vhd h LEU 222 CO 0.00 0.23 0.18 -0.65 -0.34 0.00 0.00 178.44 177.86 1vhd h PRO 223 N 0.45 0.35 -0.01 5.25 0.11 -1.84 -1.68 132.00 134.63 1vhd h PRO 223 Ca 0.20 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.17 1vhd h PRO 223 Cb 0.12 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 1vhd h PRO 223 CO -0.15 0.23 -0.55 0.87 -0.21 0.00 0.00 178.00 178.19 1vhd h LYS 224 N 0.37 0.03 -0.46 1.05 1.57 -1.80 -2.82 116.57 114.50 1vhd h LYS 224 Ca 0.16 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1vhd h LYS 224 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1vhd h LYS 224 CO -0.13 0.58 0.10 0.00 -0.57 0.00 0.00 179.45 179.43 1vhd h ALA 225 N 1.42 0.61 -0.54 3.86 0.00 -0.47 -1.55 119.26 122.59 1vhd h ALA 225 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1vhd h ALA 225 Cb 0.98 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1vhd h ALA 225 CO 0.07 0.30 0.32 0.82 0.00 0.00 0.00 179.25 180.77 1vhd h ILE 226 N 0.62 1.15 0.00 0.00 2.04 -1.18 -0.51 117.51 119.63 1vhd h ILE 226 Ca 0.14 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1vhd h ILE 226 Cb 0.34 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1vhd h ILE 226 CO 0.00 0.16 0.00 -0.33 0.00 0.00 0.00 178.15 177.98 1vhd h GLU 227 N 0.74 0.00 0.00 2.37 5.08 -1.17 -3.43 114.58 118.17 1vhd h GLU 227 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1vhd h GLU 227 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1vhd h GLU 227 CO -0.04 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.38 1vhd n GLY 228 N -0.03 0.93 3.66 -3.84 0.00 -0.20 -5.07 105.19 100.64 1vhd n GLY 228 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1vhd n GLY 228 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1vhd s ASN 229 N -1.28 6.53 0.31 1.61 3.84 -0.64 -4.88 114.94 120.44 1vhd s ASN 229 Ca 0.00 2.51 0.05 0.00 0.21 0.00 0.00 52.86 55.64 1vhd s ASN 229 Cb 0.00 -2.53 0.53 0.00 -0.55 0.00 0.00 41.25 38.70 1vhd s ASN 229 CO 0.00 -1.00 1.78 0.03 -2.79 0.00 0.00 177.10 175.12 1vhd h ARG 230 N 10.10 0.36 -0.51 0.43 3.08 -1.93 -1.18 114.38 124.74 1vhd h ARG 230 Ca -0.46 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.39 1vhd h ARG 230 Cb 1.21 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 1vhd h ARG 230 CO 0.95 0.58 -0.01 1.49 -1.07 0.00 0.00 179.97 181.91 1vhd h GLU 231 N 0.33 0.90 -0.42 0.04 4.81 -1.97 -1.28 114.58 116.99 1vhd h GLU 231 Ca 0.05 -0.29 -0.03 0.00 -0.13 0.00 0.00 59.36 58.96 1vhd h GLU 231 Cb 0.60 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1vhd h GLU 231 CO 0.04 0.94 0.15 0.00 -0.73 0.00 0.00 179.01 179.41 1vhd h ALA 232 N 0.93 0.55 -0.38 2.92 0.00 -1.81 -1.68 119.26 119.79 1vhd h ALA 232 Ca 0.14 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1vhd h ALA 232 Cb 0.54 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1vhd h ALA 232 CO 0.03 0.17 -0.09 0.00 0.00 0.00 0.00 179.25 179.35 1vhd h ARG 233 N 0.54 0.66 -0.48 0.00 3.08 -1.11 -2.63 114.38 114.43 1vhd h ARG 233 Ca 0.14 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1vhd h ARG 233 Cb 0.22 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1vhd h ARG 233 CO -0.01 0.74 0.19 -0.22 -1.07 0.00 0.00 179.97 179.60 1vhd h LYS 234 N 0.61 0.72 -1.82 0.04 3.64 -0.99 -1.73 116.57 117.04 1vhd h LYS 234 Ca 0.11 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1vhd h LYS 234 Cb 0.52 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1vhd h LYS 234 CO 0.03 0.65 0.00 1.63 -2.27 0.00 0.00 179.45 179.49 1vhd n LYS 235 N -4.57 0.22 0.00 1.90 4.76 -0.65 -2.14 118.16 117.68 1vhd n LYS 235 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1vhd n LYS 235 Cb 0.16 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 1vhd n LYS 235 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1vhd n PHE 237 N 1.04 0.00 -0.07 2.13 7.35 -0.65 -1.21 117.46 126.04 1vhd n PHE 237 Ca 0.00 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.58 1vhd n PHE 237 Cb 0.11 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 39.89 1vhd n PHE 237 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1vhd h VAL 238 N 0.00 1.23 -0.85 -2.13 2.07 -1.71 -2.70 116.25 112.17 1vhd h VAL 238 Ca 0.00 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1vhd h VAL 238 Cb 0.00 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1vhd h VAL 238 CO 0.00 0.25 0.53 0.00 0.02 0.00 0.00 177.57 178.36 1vhd h ALA 239 N 0.83 1.08 -0.54 1.67 0.00 -1.45 -0.93 119.26 119.91 1vhd h ALA 239 Ca 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1vhd h ALA 239 Cb 0.34 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1vhd h ALA 239 CO 0.01 0.52 0.24 0.66 0.00 0.00 0.00 179.25 180.68 1vhd h SER 240 N 1.16 0.69 -0.08 0.00 4.64 -1.81 0.22 113.55 118.36 1vhd h SER 240 Ca 0.31 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.52 1vhd h SER 240 Cb -0.07 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 61.84 1vhd h SER 240 CO -0.06 0.60 -0.07 0.00 -0.87 0.00 0.00 176.83 176.43 1vhd h LEU 242 N -0.22 0.61 -1.39 0.00 3.38 -0.78 -1.30 115.31 115.62 1vhd h LEU 242 Ca 0.01 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1vhd h LEU 242 Cb 0.56 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1vhd h LEU 242 CO 0.02 0.41 -0.06 0.00 0.09 0.00 0.00 178.44 178.90 1vhd h ALA 243 N 1.33 1.50 0.00 1.53 0.00 -0.48 -1.42 119.26 121.72 1vhd h ALA 243 Ca 0.29 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1vhd h ALA 243 Cb 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1vhd h ALA 243 CO -0.15 0.36 0.00 0.41 0.00 0.00 0.00 179.25 179.86 1vhd n GLY 244 N -0.95 0.63 3.04 0.00 0.00 -0.46 -1.93 105.19 105.53 1vhd n GLY 244 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vhd n GLY 244 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vhd n VAL 246 N 0.80 0.00 0.31 1.61 0.31 -0.54 -1.37 118.33 119.46 1vhd n VAL 246 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.49 1vhd n VAL 246 Cb 0.16 0.00 0.72 0.00 -0.91 0.00 0.00 33.84 33.81 1vhd n VAL 246 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1vhd h ILE 247 N 0.00 0.00 0.00 2.52 3.07 -1.65 0.43 117.51 121.88 1vhd h ILE 247 Ca 0.00 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 66.17 1vhd h ILE 247 Cb 0.00 1.06 0.00 0.00 -0.27 0.00 0.00 36.82 37.61 1vhd h ILE 247 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.10 1vhd h ALA 248 N 2.08 1.00 0.00 0.16 0.00 -1.48 0.11 119.26 121.12 1vhd h ALA 248 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 1vhd h ALA 248 Cb 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1vhd h ALA 248 CO 0.00 0.00 -2.28 1.04 0.00 0.00 0.00 179.25 178.01 1vhd n GLN 249 N -2.81 0.64 -0.10 0.00 1.13 0.07 -4.79 117.38 111.52 1vhd n GLN 249 Ca -0.00 0.11 -0.11 0.00 -1.94 0.00 0.00 57.00 55.07 1vhd n GLN 249 Cb 0.21 -1.45 -0.15 0.00 0.11 0.00 0.00 30.24 28.95 1vhd n GLN 249 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1vhd n THR 250 N -3.10 1.38 -3.08 5.09 -2.24 -0.76 -4.98 114.28 106.60 1vhd n THR 250 Ca -0.39 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.58 1vhd n THR 250 Cb 0.95 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1vhd n THR 250 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vhd n GLY 251 N 1.82 -2.12 2.34 3.38 0.00 0.36 -4.75 105.19 106.22 1vhd n GLY 251 Ca -0.34 -1.52 -0.18 0.00 0.00 0.00 0.00 46.02 43.99 1vhd n GLY 251 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vhd n THR 252 N -0.12 0.00 -3.60 2.61 -2.24 -1.26 -4.51 114.28 105.17 1vhd n THR 252 Ca 0.00 -1.41 0.00 0.00 -2.27 0.00 0.00 64.05 60.37 1vhd n THR 252 Cb 0.00 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1vhd n THR 252 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1vhd n THR 253 N -1.13 0.00 0.24 4.28 -2.24 -1.26 -4.86 114.28 109.31 1vhd n THR 253 Ca -0.05 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.85 1vhd n THR 253 Cb 0.39 -0.24 0.76 0.00 -2.10 0.00 0.00 70.33 69.15 1vhd n THR 253 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1vhd h LEU 254 N 0.00 0.00 -0.26 3.22 5.85 -1.93 -2.52 115.31 119.67 1vhd h LEU 254 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1vhd h LEU 254 Cb 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1vhd h LEU 254 CO 0.00 0.00 -0.00 0.00 -0.34 0.00 0.00 178.44 178.10 1vhd h ALA 255 N 1.94 0.22 -0.63 1.25 0.00 -1.94 0.22 119.26 120.32 1vhd h ALA 255 Ca 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1vhd h ALA 255 Cb 0.18 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1vhd h ALA 255 CO -0.00 -0.42 0.36 0.45 0.00 0.00 0.00 179.25 179.64 1vhd h HIS 256 N 0.07 0.86 -0.45 0.00 3.86 -1.78 -2.48 115.15 115.24 1vhd h HIS 256 Ca 0.12 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1vhd h HIS 256 Cb 0.16 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 1vhd h HIS 256 CO -0.21 0.60 0.27 0.00 0.86 0.00 0.00 177.93 179.46 1vhd h ALA 257 N 1.18 0.57 0.00 2.45 0.00 -1.31 -2.68 119.26 119.47 1vhd h ALA 257 Ca 0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1vhd h ALA 257 Cb 0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1vhd h ALA 257 CO -0.04 0.06 -0.16 -0.07 0.00 0.00 0.00 179.25 179.04 1vhd h LEU 258 N 0.60 0.00 -0.12 0.00 3.38 -0.39 -2.92 115.31 115.86 1vhd h LEU 258 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1vhd h LEU 258 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1vhd h LEU 258 CO -0.03 0.16 -0.13 1.23 0.09 0.00 0.00 178.44 179.76 1vhd h GLY 259 N 1.42 0.00 0.24 0.83 0.00 -1.10 -3.37 103.07 101.09 1vhd h GLY 259 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1vhd h GLY 259 CO 0.02 0.00 -0.11 -0.97 0.00 0.00 0.00 176.54 175.48 1vhd h TYR 260 N 0.00 -0.24 0.00 5.60 0.99 -1.42 -1.60 116.97 120.30 1vhd h TYR 260 Ca -0.00 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 1vhd h TYR 260 Cb 1.06 0.16 -0.00 0.00 1.00 0.00 0.00 36.73 38.95 1vhd h TYR 260 CO 0.00 -0.18 -0.10 -1.00 -0.00 0.00 0.00 178.16 176.88 1vhd h PRO 261 N -0.02 0.00 -0.11 4.88 0.13 -1.78 -0.28 132.00 134.81 1vhd h PRO 261 Ca 0.18 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.22 1vhd h PRO 261 Cb 0.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.41 1vhd h PRO 261 CO -0.39 0.10 -0.31 -0.07 -0.23 0.00 0.00 178.00 177.11 1vhd h LEU 262 N 0.00 0.21 0.00 1.56 3.38 -1.52 0.11 115.31 119.05 1vhd h LEU 262 Ca -0.00 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1vhd h LEU 262 Cb 0.21 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1vhd h LEU 262 CO 0.01 0.52 -0.01 0.74 0.09 0.00 0.00 178.44 179.79 1vhd h THR 263 N 0.19 1.35 -0.35 0.22 2.02 -0.83 -1.81 112.91 113.71 1vhd h THR 263 Ca 0.03 -2.02 -0.12 0.00 0.77 0.00 0.00 66.41 65.07 1vhd h THR 263 Cb 0.64 2.56 -0.01 0.00 -1.74 0.00 0.00 68.15 69.59 1vhd h THR 263 CO 0.05 0.46 -0.28 0.71 0.37 0.00 0.00 175.52 176.82 1vhd h THR 264 N -1.00 1.28 0.00 3.16 1.35 -1.13 -2.22 112.91 114.35 1vhd h THR 264 Ca -0.00 -1.41 -0.06 0.00 -0.55 0.00 0.00 66.41 64.39 1vhd h THR 264 Cb 0.76 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 68.48 1vhd h THR 264 CO -0.00 0.46 -2.03 -0.62 -0.25 0.00 0.00 175.52 173.08 1vhd n GLU 265 N -4.09 0.66 -0.00 4.72 1.02 0.36 -4.60 120.64 118.72 1vhd n GLU 265 Ca -0.01 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 1vhd n GLU 265 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1vhd n GLU 265 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1vhd n LYS 266 N -2.32 2.51 -1.84 3.49 4.76 -0.76 -5.02 118.16 118.99 1vhd n LYS 266 Ca -0.09 -1.37 -0.20 0.00 -2.87 0.00 0.00 58.31 53.78 1vhd n LYS 266 Cb 0.65 -0.93 -0.06 0.00 -1.84 0.00 0.00 35.03 32.84 1vhd n LYS 266 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vhd n GLY 267 N -0.44 1.18 3.68 0.72 0.00 -0.83 -4.91 105.19 104.59 1vhd n GLY 267 Ca 0.00 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1vhd n GLY 267 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vhd s ILE 268 N -2.84 4.93 0.37 -0.61 -1.09 -0.76 -4.96 121.20 116.25 1vhd s ILE 268 Ca 0.00 1.56 -0.26 0.00 -2.23 0.00 0.00 60.65 59.72 1vhd s ILE 268 Cb 0.00 -4.10 -0.12 0.00 -1.58 0.00 0.00 42.46 36.66 1vhd s ILE 268 CO 0.00 0.09 1.06 0.29 -1.23 0.00 0.00 174.94 175.15 1vhd n LYS 269 N 4.84 1.49 -0.34 2.79 5.02 -1.26 -3.79 118.16 126.90 1vhd n LYS 269 Ca 0.03 0.53 -0.07 0.00 -2.02 0.00 0.00 58.31 56.78 1vhd n LYS 269 Cb 0.50 -2.04 -0.03 0.00 -0.02 0.00 0.00 35.03 33.43 1vhd n LYS 269 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1vhd h HIS 270 N 1.83 -1.43 -0.64 2.13 -0.00 -1.94 -0.32 115.15 114.78 1vhd h HIS 270 Ca -0.44 0.11 0.05 0.00 -0.00 0.00 0.00 60.37 60.09 1vhd h HIS 270 Cb 1.33 0.75 -0.05 0.00 -0.00 0.00 0.00 27.41 29.44 1vhd h HIS 270 CO 0.46 -0.40 0.37 0.78 -0.00 0.00 0.00 177.93 179.13 1vhd h GLY 271 N -0.07 0.93 1.21 5.26 0.00 -1.90 -1.57 103.07 106.92 1vhd h GLY 271 Ca 0.23 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.20 1vhd h GLY 271 CO -0.89 0.18 -0.07 0.50 0.00 0.00 0.00 176.54 176.27 1vhd h LYS 272 N 0.69 0.94 -0.05 4.80 1.57 -1.48 -0.57 116.57 122.47 1vhd h LYS 272 Ca 0.28 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1vhd h LYS 272 Cb 0.12 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1vhd h LYS 272 CO -0.15 0.97 0.02 0.00 -0.57 0.00 0.00 179.45 179.72 1vhd h ALA 273 N 1.06 0.07 -0.32 3.86 0.00 -0.65 -3.03 119.26 120.26 1vhd h ALA 273 Ca 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1vhd h ALA 273 Cb 0.59 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1vhd h ALA 273 CO 0.04 -0.35 0.12 1.15 0.00 0.00 0.00 179.25 180.21 1vhd h THR 274 N -0.06 1.19 0.00 0.00 2.02 -1.26 -3.19 112.91 111.61 1vhd h THR 274 Ca 0.02 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1vhd h THR 274 Cb 0.15 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1vhd h THR 274 CO -0.00 0.20 0.00 0.61 0.37 0.00 0.00 175.52 176.70 1vhd n GLY 275 N -0.73 0.16 0.00 2.16 0.00 -0.23 -0.96 105.19 105.60 1vhd n GLY 275 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1vhd n GLY 275 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1vhd n VAL 277 N 1.32 0.00 -0.19 1.61 0.24 -1.21 -4.23 118.33 115.87 1vhd n VAL 277 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.26 1vhd n VAL 277 Cb 0.00 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.39 1vhd n VAL 277 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1vhd h LEU 278 N 0.00 -0.98 -1.68 1.34 5.85 -1.34 -1.39 115.31 117.12 1vhd h LEU 278 Ca 0.00 0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.98 1vhd h LEU 278 Cb 0.00 0.51 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1vhd h LEU 278 CO 0.00 -0.28 0.29 -0.65 -0.34 0.00 0.00 178.44 177.46 1vhd h PRO 279 N -0.13 0.40 0.01 5.25 0.11 -1.87 -2.27 132.00 133.49 1vhd h PRO 279 Ca 0.24 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 66.11 1vhd h PRO 279 Cb 0.53 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.52 1vhd h PRO 279 CO -0.65 0.26 -1.03 0.74 -0.21 0.00 0.00 178.00 177.12 1vhd h PHE 280 N 0.41 0.05 0.00 0.65 -1.00 -1.69 -2.37 116.94 112.99 1vhd h PHE 280 Ca 0.18 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.93 1vhd h PHE 280 Cb 0.22 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.77 1vhd h PHE 280 CO -0.00 1.03 0.00 0.28 -1.61 0.00 0.00 178.31 178.01 1vhd n VAL 281 N -3.37 0.64 0.00 -0.55 0.31 -0.61 -3.39 118.33 111.37 1vhd n VAL 281 Ca -0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1vhd n VAL 281 Cb 0.95 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 1vhd n VAL 281 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1vhd n GLU 283 N 0.94 0.00 -0.19 5.55 4.07 -0.89 -4.77 120.64 125.35 1vhd n GLU 283 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1vhd n GLU 283 Cb 0.27 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.65 1vhd n GLU 283 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1vhd n VAL 284 N 0.00 0.95 0.00 6.31 0.31 -1.22 -4.40 118.33 120.28 1vhd n VAL 284 Ca 0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1vhd n VAL 284 Cb 0.00 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1vhd n VAL 284 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1vhd n LYS 286 N 1.36 0.00 0.14 5.55 5.02 -1.26 -4.41 118.16 124.56 1vhd n LYS 286 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 1vhd n LYS 286 Cb 0.29 -2.06 0.05 0.00 -0.02 0.00 0.00 35.03 33.28 1vhd n LYS 286 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1vhd h GLU 287 N 0.00 0.00 0.00 1.97 5.08 -1.92 -3.23 114.58 116.48 1vhd h GLU 287 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1vhd h GLU 287 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1vhd h GLU 287 CO 0.00 0.56 -1.66 -1.91 -1.00 0.00 0.00 179.01 175.00 1vhd n GLU 288 N -3.29 1.91 -3.19 2.33 2.13 -1.26 -4.85 120.64 114.43 1vhd n GLU 288 Ca 0.01 0.01 -0.22 0.00 0.66 0.00 0.00 57.16 57.63 1vhd n GLU 288 Cb 0.73 -1.24 -0.05 0.00 0.27 0.00 0.00 31.44 31.15 1vhd n GLU 288 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1vhd n ILE 289 N -2.48 0.11 0.20 6.31 -5.35 -1.26 -4.95 119.36 111.94 1vhd n ILE 289 Ca -0.17 -4.50 0.05 0.00 -0.27 0.00 0.00 62.75 57.86 1vhd n ILE 289 Cb 0.79 -1.19 0.50 0.00 -1.74 0.00 0.00 39.64 37.99 1vhd n ILE 289 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1vhd h PRO 290 N 3.50 0.06 0.25 6.28 0.13 -1.88 -2.57 132.00 137.77 1vhd h PRO 290 Ca 0.10 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 1vhd h PRO 290 Cb 0.87 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1vhd h PRO 290 CO 0.54 0.20 -0.12 0.93 -0.23 0.00 0.00 178.00 179.32 1vhd h GLU 291 N 0.06 -0.32 -0.42 0.86 3.07 -1.92 -1.17 114.58 114.74 1vhd h GLU 291 Ca 0.01 0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.80 1vhd h GLU 291 Cb 0.28 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 1vhd h GLU 291 CO 0.02 -0.16 -0.14 0.87 -1.40 0.00 0.00 179.01 178.20 1vhd h LYS 292 N -0.42 0.77 -0.69 2.33 1.57 -1.96 -1.84 116.57 116.33 1vhd h LYS 292 Ca -0.03 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.43 1vhd h LYS 292 Cb 0.32 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1vhd h LYS 292 CO 0.06 0.87 0.24 0.28 -0.57 0.00 0.00 179.45 180.33 1vhd h VAL 293 N 0.69 1.25 -0.90 0.50 2.07 -1.39 -1.07 116.25 117.41 1vhd h VAL 293 Ca 0.11 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1vhd h VAL 293 Cb 0.62 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1vhd h VAL 293 CO 0.04 0.33 0.50 0.44 0.02 0.00 0.00 177.57 178.90 1vhd h ASP 294 N 1.01 1.11 -0.57 0.57 3.45 -0.96 -1.35 116.42 119.68 1vhd h ASP 294 Ca 0.23 -0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.59 1vhd h ASP 294 Cb 0.26 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 38.72 1vhd h ASP 294 CO -0.01 0.88 0.34 0.74 -1.57 0.00 0.00 179.24 179.62 1vhd h THR 295 N 1.25 1.17 -0.25 0.35 2.02 -0.64 0.57 112.91 117.38 1vhd h THR 295 Ca 0.32 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 1vhd h THR 295 Cb 0.01 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1vhd h THR 295 CO -0.05 0.18 0.10 0.58 0.37 0.00 0.00 175.52 176.69 1vhd h VAL 296 N 0.76 1.18 -0.62 3.16 2.07 -0.74 -1.15 116.25 120.92 1vhd h VAL 296 Ca 0.20 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1vhd h VAL 296 Cb -0.01 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1vhd h VAL 296 CO -0.04 0.18 0.27 0.78 0.02 0.00 0.00 177.57 178.78 1vhd h ASN 297 N 0.26 0.80 -0.47 0.57 2.35 -1.00 -2.30 115.58 115.79 1vhd h ASN 297 Ca 0.08 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1vhd h ASN 297 Cb 0.19 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1vhd h ASN 297 CO -0.01 0.70 0.13 -0.74 -1.65 0.00 0.00 177.43 175.87 1vhd h HIS 298 N 0.88 0.78 -0.89 1.19 2.76 -0.56 0.51 115.15 119.81 1vhd h HIS 298 Ca 0.21 -0.09 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1vhd h HIS 298 Cb 0.14 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 28.83 1vhd h HIS 298 CO 0.01 0.70 0.55 0.82 -1.30 0.00 0.00 177.93 178.71 1vhd h ILE 299 N 0.63 1.24 -0.44 6.26 2.04 -0.84 -2.83 117.51 123.58 1vhd h ILE 299 Ca 0.15 -0.50 -0.26 0.00 1.00 0.00 0.00 64.86 65.25 1vhd h ILE 299 Cb 0.30 -0.04 -0.13 0.00 -0.74 0.00 0.00 36.82 36.21 1vhd h ILE 299 CO -0.00 0.25 0.34 0.49 0.00 0.00 0.00 178.15 179.22 1vhd n PHE 300 N -4.37 1.40 -0.72 1.37 3.01 -0.90 -4.80 117.46 112.45 1vhd n PHE 300 Ca 0.10 -1.46 0.00 0.00 1.01 0.00 0.00 57.45 57.10 1vhd n PHE 300 Cb 0.05 -0.73 0.00 0.00 -0.01 0.00 0.00 39.48 38.79 1vhd n PHE 300 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1vhd n GLY 301 N 0.07 0.73 0.00 1.37 0.00 -1.07 -3.87 105.19 102.42 1vhd n GLY 301 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1vhd n GLY 301 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vhd n GLY 302 N -2.42 1.91 3.17 -0.02 0.00 0.18 -4.99 105.19 103.03 1vhd n GLY 302 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1vhd n GLY 302 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vhd s SER 303 N -1.23 -0.67 0.24 1.61 0.15 -0.99 -4.54 113.70 108.27 1vhd s SER 303 Ca 0.00 0.81 -0.05 0.00 0.70 0.00 0.00 55.95 57.41 1vhd s SER 303 Cb 0.00 1.74 0.25 0.00 -1.71 0.00 0.00 66.02 66.30 1vhd s SER 303 CO 0.00 -0.26 1.76 0.25 1.20 0.00 0.00 173.24 176.19 1vhd h LEU 304 N 8.08 0.91 -0.23 3.45 5.85 -1.78 -1.49 115.31 130.10 1vhd h LEU 304 Ca -0.20 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.36 1vhd h LEU 304 Cb 1.14 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1vhd h LEU 304 CO 0.22 0.91 0.02 0.25 -0.34 0.00 0.00 178.44 179.50 1vhd h LEU 305 N 0.91 -0.04 -0.69 2.25 5.85 -1.94 0.20 115.31 121.85 1vhd h LEU 305 Ca 0.19 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1vhd h LEU 305 Cb 0.38 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1vhd h LEU 305 CO 0.01 0.01 0.36 0.50 -0.34 0.00 0.00 178.44 178.98 1vhd h LYS 306 N 0.10 0.98 -0.43 1.25 3.64 -1.89 -0.39 116.57 119.83 1vhd h LYS 306 Ca 0.11 -0.13 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1vhd h LYS 306 Cb 0.12 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 1vhd h LYS 306 CO -0.16 0.75 0.20 0.35 -2.27 0.00 0.00 179.45 178.32 1vhd h PHE 307 N 0.95 0.37 -0.48 1.91 3.57 -0.61 -0.16 116.94 122.49 1vhd h PHE 307 Ca 0.24 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.64 1vhd h PHE 307 Cb 0.07 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1vhd h PHE 307 CO -0.00 0.18 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.01 1vhd h LEU 308 N 0.41 0.96 -0.79 0.59 3.38 -0.65 -2.74 115.31 116.47 1vhd h LEU 308 Ca 0.19 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1vhd h LEU 308 Cb 0.12 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1vhd h LEU 308 CO -0.15 1.11 0.31 0.11 0.09 0.00 0.00 178.44 179.92 1vhd h LYS 309 N 0.82 1.18 0.00 1.13 1.57 -0.63 -1.88 116.57 118.77 1vhd h LYS 309 Ca 0.12 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1vhd h LYS 309 Cb 0.74 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1vhd h LYS 309 CO 0.06 0.96 -0.04 0.93 -0.57 0.00 0.00 179.45 180.79 1vhd h GLU 310 N 1.15 0.00 0.00 3.15 5.08 -0.86 -0.58 114.58 122.52 1vhd h GLU 310 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1vhd h GLU 310 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1vhd h GLU 310 CO -0.02 0.04 -0.06 1.28 -1.00 0.00 0.00 179.01 179.25 1vhd n LEU 311 N -3.23 0.30 -0.60 1.33 4.77 -0.72 -4.90 117.00 113.95 1vhd n LEU 311 Ca -0.01 0.47 -0.04 0.00 -0.03 0.00 0.00 56.01 56.40 1vhd n LEU 311 Cb 0.22 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1vhd n LEU 311 CO 0.26 -0.04 -0.04 0.61 -1.33 0.00 0.00 177.39 176.84 1vhd n GLY 312 N 1.44 0.26 0.26 -0.72 0.00 -0.22 -4.97 105.19 101.24 1vhd n GLY 312 Ca 0.06 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 1vhd n GLY 312 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1vhd h LEU 313 N -0.09 0.90 -9.78 0.99 5.85 -1.69 -3.46 115.31 108.04 1vhd h LEU 313 Ca -0.11 -0.37 -0.52 0.00 0.84 0.00 0.00 57.88 57.72 1vhd h LEU 313 Cb 1.08 -0.25 0.05 0.00 0.37 0.00 0.00 40.66 41.92 1vhd h LEU 313 CO 0.12 1.06 0.69 -0.31 -0.34 0.00 0.00 178.44 179.66 1vhd s TYR 314 N -4.77 3.09 0.22 1.25 1.51 -1.26 -5.02 117.35 112.37 1vhd s TYR 314 Ca -0.12 1.22 0.11 0.00 -1.01 0.00 0.00 57.07 57.27 1vhd s TYR 314 Cb 0.11 -3.71 -0.05 0.00 -0.11 0.00 0.00 41.96 38.21 1vhd s TYR 314 CO 0.84 -2.16 -0.18 -1.21 -1.11 0.00 0.00 175.55 171.73 1vhd s GLU 315 N -0.86 1.74 -0.05 -0.62 2.02 -1.26 -4.87 118.70 114.81 1vhd s GLU 315 Ca 0.55 -1.54 -0.24 0.00 0.02 0.00 0.00 54.97 53.76 1vhd s GLU 315 Cb -0.40 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 31.88 1vhd s GLU 315 CO 0.46 0.38 0.71 0.21 0.02 0.00 0.00 175.26 177.04 1vhd s LYS 316 N -3.04 4.44 -0.04 1.61 2.47 -1.26 -4.64 119.74 119.28 1vhd s LYS 316 Ca 0.25 0.91 0.02 0.00 -1.56 0.00 0.00 55.97 55.59 1vhd s LYS 316 Cb -0.07 -3.43 0.01 0.00 -1.46 0.00 0.00 37.83 32.88 1vhd s LYS 316 CO 0.13 0.11 -0.07 0.08 0.16 0.00 0.00 175.35 175.76 1vhd s VAL 317 N 0.63 0.72 -0.30 4.02 1.01 -1.26 -5.11 120.40 120.11 1vhd s VAL 317 Ca 0.38 -0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.81 1vhd s VAL 317 Cb -0.18 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.52 1vhd s VAL 317 CO 0.19 0.25 1.02 0.00 0.00 0.00 0.00 175.10 176.57 1vhd s ALA 318 N 0.65 3.53 -0.04 5.51 0.00 -1.26 -5.01 121.76 125.14 1vhd s ALA 318 Ca -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.78 1vhd s ALA 318 Cb -0.13 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 19.42 1vhd s ALA 318 CO 0.01 -1.37 -0.01 0.08 0.00 0.00 0.00 175.76 174.47 1vhd s VAL 319 N 3.47 0.28 0.51 0.00 1.01 -1.26 -5.05 120.40 119.36 1vhd s VAL 319 Ca 0.43 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 1vhd s VAL 319 Cb -0.13 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 35.89 1vhd s VAL 319 CO 0.13 0.18 0.76 -0.94 0.00 0.00 0.00 175.10 175.23 1vhd s SER 320 N 1.09 5.72 0.26 3.32 1.04 -1.26 -4.93 113.70 118.95 1vhd s SER 320 Ca -0.09 0.44 -0.03 0.00 0.48 0.00 0.00 55.95 56.75 1vhd s SER 320 Cb -0.14 -1.57 0.33 0.00 0.10 0.00 0.00 66.02 64.74 1vhd s SER 320 CO -0.01 -0.86 1.82 -1.28 0.98 0.00 0.00 173.24 173.89 1vhd h SER 321 N 0.16 0.89 -0.54 7.02 0.87 -2.01 -0.62 113.55 119.32 1vhd h SER 321 Ca -0.46 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 59.96 1vhd h SER 321 Cb 1.26 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 1vhd h SER 321 CO 0.58 0.82 0.35 -0.33 -0.53 0.00 0.00 176.83 177.73 1vhd h GLU 322 N 0.93 0.71 -0.12 2.24 3.07 -1.99 -0.22 114.58 119.21 1vhd h GLU 322 Ca 0.21 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.01 1vhd h GLU 322 Cb 0.24 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1vhd h GLU 322 CO -0.01 0.47 0.01 0.93 -1.40 0.00 0.00 179.01 179.01 1vhd h GLU 323 N 0.73 0.20 -0.48 2.33 5.08 -1.84 -2.07 114.58 118.53 1vhd h GLU 323 Ca 0.20 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.56 1vhd h GLU 323 Cb -0.08 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 1vhd h GLU 323 CO -0.04 0.43 0.18 1.25 -1.00 0.00 0.00 179.01 179.83 1vhd h LEU 324 N -0.05 0.20 -1.27 1.33 5.85 -0.88 -0.79 115.31 119.69 1vhd h LEU 324 Ca 0.03 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1vhd h LEU 324 Cb 0.33 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1vhd h LEU 324 CO 0.00 0.14 -0.13 -0.33 -0.34 0.00 0.00 178.44 177.78 1vhd h GLU 325 N 0.36 0.33 -0.43 1.25 4.39 -0.98 -0.51 114.58 119.00 1vhd h GLU 325 Ca 0.23 -0.08 -0.11 0.00 0.34 0.00 0.00 59.36 59.73 1vhd h GLU 325 Cb 0.22 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1vhd h GLU 325 CO -0.22 0.47 -0.15 -0.22 -1.16 0.00 0.00 179.01 177.73 1vhd h LYS 326 N 0.31 0.87 -0.48 2.33 3.64 -0.60 -1.14 116.57 121.50 1vhd h LYS 326 Ca 0.06 -0.35 -0.12 0.00 -1.27 0.00 0.00 60.65 58.97 1vhd h LYS 326 Cb 0.43 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1vhd h LYS 326 CO 0.03 1.00 -0.18 -1.49 -2.27 0.00 0.00 179.45 176.54 1vhd h TRP 327 N 0.69 1.07 -0.56 1.91 6.55 -0.74 -1.27 115.95 123.60 1vhd h TRP 327 Ca 0.10 -0.24 -0.05 0.00 0.95 0.00 0.00 58.89 59.66 1vhd h TRP 327 Cb 0.71 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 28.72 1vhd h TRP 327 CO 0.05 1.04 0.17 0.28 -1.05 0.00 0.00 178.44 178.93 1vhd h VAL 328 N 0.83 1.24 -0.03 1.49 2.07 -0.99 0.13 116.25 120.99 1vhd h VAL 328 Ca 0.12 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1vhd h VAL 328 Cb 0.73 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1vhd h VAL 328 CO 0.06 0.31 0.01 -0.08 0.02 0.00 0.00 177.57 177.89 1vhd h GLU 329 N 0.79 0.04 -0.65 1.57 4.22 -0.99 -1.99 114.58 117.56 1vhd h GLU 329 Ca 0.18 -0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.54 1vhd h GLU 329 Cb 0.29 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1vhd h GLU 329 CO -0.00 0.11 0.11 0.87 -2.18 0.00 0.00 179.01 177.92 1vhd h LYS 330 N -0.04 1.07 0.00 1.92 1.57 -1.12 -2.49 116.57 117.48 1vhd h LYS 330 Ca 0.01 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1vhd h LYS 330 Cb 0.08 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1vhd h LYS 330 CO -0.00 0.97 -0.04 0.78 -0.57 0.00 0.00 179.45 180.59 1vhd h GLY 331 N 1.05 0.00 2.00 3.86 0.00 -0.52 -0.39 103.07 109.07 1vhd h GLY 331 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1vhd h GLY 331 CO 0.01 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.99 1vhd n SER 332 N -4.30 0.11 -0.29 0.19 7.64 -0.77 -3.07 113.62 113.14 1vhd n SER 332 Ca -0.03 0.52 0.03 0.00 1.01 0.00 0.00 58.87 60.40 1vhd n SER 332 Cb 0.13 -0.54 0.07 0.00 -1.01 0.00 0.00 64.21 62.85 1vhd n SER 332 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1vhd n ARG 333 N -1.61 2.92 -2.37 1.43 1.74 -0.18 -5.03 116.66 113.56 1vhd n ARG 333 Ca 0.05 -1.77 -0.41 0.00 -0.77 0.00 0.00 57.85 54.95 1vhd n ARG 333 Cb 0.27 -1.13 -0.04 0.00 -1.02 0.00 0.00 32.46 30.54 1vhd n ARG 333 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vhd s ALA 334 N -1.05 3.44 0.47 7.54 0.00 -1.06 -4.91 121.76 126.18 1vhd s ALA 334 Ca 0.11 0.97 0.18 0.00 0.00 0.00 0.00 51.96 53.22 1vhd s ALA 334 Cb 0.06 -3.39 1.19 0.00 0.00 0.00 0.00 23.12 20.98 1vhd s ALA 334 CO 0.07 -0.34 2.06 0.87 0.00 0.00 0.00 175.76 178.42 1vhd h LYS 335 N 4.57 0.00 -0.07 0.00 6.56 -1.93 -2.19 116.57 123.50 1vhd h LYS 335 Ca -0.46 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.15 1vhd h LYS 335 Cb 1.21 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.87 1vhd h LYS 335 CO 0.71 0.13 0.09 0.45 -2.06 0.00 0.00 179.45 178.76 1vhd h HIS 336 N 0.00 0.00 -0.85 -1.35 3.86 -1.89 -2.61 115.15 112.30 1vhd h HIS 336 Ca -0.00 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.30 1vhd h HIS 336 Cb 0.24 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.65 1vhd h HIS 336 CO 0.00 0.00 0.56 1.25 0.86 0.00 0.00 177.93 180.60 1vhd h LEU 337 N 0.00 0.77 -1.61 2.43 5.85 -1.73 -1.98 115.31 119.04 1vhd h LEU 337 Ca 0.03 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1vhd h LEU 337 Cb 0.21 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1vhd h LEU 337 CO -0.00 0.47 -0.07 0.50 -0.34 0.00 0.00 178.44 178.99 1vhd h LYS 338 N 0.86 0.16 -0.69 1.25 3.64 -1.68 -2.56 116.57 117.55 1vhd h LYS 338 Ca 0.39 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1vhd h LYS 338 Cb 0.36 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1vhd h LYS 338 CO -0.16 0.25 0.00 0.09 -2.27 0.00 0.00 179.45 177.36 1vhd n ASN 339 N -4.36 3.75 -4.41 4.20 3.02 -0.76 -4.88 115.26 111.82 1vhd n ASN 339 Ca -0.01 -2.03 -0.37 0.00 -0.03 0.00 0.00 54.58 52.14 1vhd n ASN 339 Cb 0.20 -0.47 -0.12 0.00 -0.61 0.00 0.00 39.78 38.78 1vhd n ASN 339 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1vhd s THR 340 N -1.14 4.20 0.35 3.41 2.01 -0.97 -1.47 115.64 122.03 1vhd s THR 340 Ca 0.46 -0.38 -0.29 0.00 0.31 0.00 0.00 61.69 61.79 1vhd s THR 340 Cb 0.25 -3.05 -0.11 0.00 0.01 0.00 0.00 72.50 69.59 1vhd s THR 340 CO 0.31 0.22 1.52 -2.65 -0.69 0.00 0.00 174.62 173.33 1vhd n PRO 341 N 4.91 2.67 0.00 4.92 -0.02 -1.26 -4.82 135.00 141.39 1vhd n PRO 341 Ca -0.15 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1vhd n PRO 341 Cb 0.50 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1vhd n PRO 341 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vhd n GLY 342 N 1.03 1.81 3.29 -1.23 0.00 -1.26 -4.81 105.19 104.01 1vhd n GLY 342 Ca 0.04 -2.08 -0.37 0.00 0.00 0.00 0.00 46.02 43.61 1vhd n GLY 342 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vhd s THR 343 N -1.92 3.67 -0.53 2.61 2.01 -1.26 -5.04 115.64 115.17 1vhd s THR 343 Ca 0.00 -0.90 -0.12 0.00 0.31 0.00 0.00 61.69 60.97 1vhd s THR 343 Cb 0.00 -2.95 0.13 0.00 0.01 0.00 0.00 72.50 69.70 1vhd s THR 343 CO 0.00 0.02 0.45 -0.36 -0.69 0.00 0.00 174.62 174.04 1vhd s PHE 344 N 1.43 3.38 0.46 4.92 0.40 -1.26 -4.99 117.98 122.31 1vhd s PHE 344 Ca 0.01 -1.67 -0.07 0.00 -0.60 0.00 0.00 56.93 54.60 1vhd s PHE 344 Cb -0.18 -3.64 -0.04 0.00 0.51 0.00 0.00 43.02 39.67 1vhd s PHE 344 CO 0.01 -1.00 0.78 0.95 0.70 0.00 0.00 175.22 176.66 1vhd s THR 345 N 1.33 4.88 0.41 0.64 -4.23 -1.26 -4.88 115.64 112.52 1vhd s THR 345 Ca 0.06 0.31 0.17 0.00 -1.18 0.00 0.00 61.69 61.05 1vhd s THR 345 Cb -0.26 -3.83 0.38 0.00 1.34 0.00 0.00 72.50 70.13 1vhd s THR 345 CO 0.00 -0.75 1.84 -0.65 -0.54 0.00 0.00 174.62 174.52 1vhd h PRO 346 N 0.55 0.42 -0.53 3.99 0.11 -1.97 0.11 132.00 134.68 1vhd h PRO 346 Ca -0.47 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1vhd h PRO 346 Cb 1.20 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1vhd h PRO 346 CO 0.62 0.28 0.12 1.49 -0.21 0.00 0.00 178.00 180.31 1vhd h GLU 347 N 0.43 0.85 -0.49 1.05 4.81 -1.99 -0.01 114.58 119.23 1vhd h GLU 347 Ca 0.50 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 59.41 1vhd h GLU 347 Cb 1.21 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1vhd h GLU 347 CO -0.21 0.81 -0.15 0.87 -0.73 0.00 0.00 179.01 179.60 1vhd h LYS 348 N 0.74 0.94 -0.38 1.92 1.57 -1.20 -1.18 116.57 118.97 1vhd h LYS 348 Ca 0.16 -0.36 -0.08 0.00 -1.87 0.00 0.00 60.65 58.51 1vhd h LYS 348 Cb 0.34 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1vhd h LYS 348 CO 0.00 1.02 -0.08 0.82 -0.57 0.00 0.00 179.45 180.64 1vhd h ILE 349 N 0.83 1.27 -0.89 1.86 2.04 -1.05 -0.01 117.51 121.56 1vhd h ILE 349 Ca 0.12 -1.14 0.01 0.00 1.00 0.00 0.00 64.86 64.85 1vhd h ILE 349 Cb 0.70 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.97 1vhd h ILE 349 CO 0.05 0.38 0.59 -0.09 0.00 0.00 0.00 178.15 179.08 1vhd h ARG 350 N 0.54 1.15 -0.30 2.37 2.43 -0.87 -1.85 114.38 117.85 1vhd h ARG 350 Ca 0.10 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 1vhd h ARG 350 Cb 0.59 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1vhd h ARG 350 CO 0.03 0.76 -0.19 -0.97 -1.51 0.00 0.00 179.97 178.09 1vhd h ASN 351 N 1.18 0.55 -0.54 -3.80 -0.73 -0.88 -0.93 115.58 110.43 1vhd h ASN 351 Ca 0.33 -0.17 -0.03 0.00 1.87 0.00 0.00 56.30 58.30 1vhd h ASN 351 Cb -0.11 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.31 1vhd h ASN 351 CO -0.08 0.75 0.24 0.40 -0.37 0.00 0.00 177.43 178.37 1vhd h ILE 352 N 0.50 1.21 -0.32 2.57 2.04 -0.23 -0.02 117.51 123.26 1vhd h ILE 352 Ca 0.08 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 1vhd h ILE 352 Cb 0.61 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1vhd h ILE 352 CO 0.04 0.24 -0.00 1.88 0.00 0.00 0.00 178.15 180.31 1vhd h TYR 353 N 0.72 0.61 -0.55 1.37 0.05 -1.09 -1.70 116.97 116.39 1vhd h TYR 353 Ca 0.18 -0.11 0.01 0.00 0.05 0.00 0.00 58.73 58.87 1vhd h TYR 353 Cb 0.16 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 1vhd h TYR 353 CO 0.00 0.69 0.35 0.00 -1.05 0.00 0.00 178.16 178.15 1vhd h ARG 354 N 0.36 0.70 -0.01 4.88 3.08 -0.95 0.56 114.38 122.99 1vhd h ARG 354 Ca 0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1vhd h ARG 354 Cb 0.45 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1vhd h ARG 354 CO 0.02 0.46 0.01 0.93 -1.07 0.00 0.00 179.97 180.32 1vhd h GLU 355 N 0.72 0.02 -0.68 0.04 4.39 -0.91 0.25 114.58 118.40 1vhd h GLU 355 Ca 0.21 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 1vhd h GLU 355 Cb -0.05 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 1vhd h GLU 355 CO -0.06 0.02 0.35 0.00 -1.16 0.00 0.00 179.01 178.16 1vhd h ALA 356 N 1.00 0.88 0.00 3.43 0.00 -1.06 -2.56 119.26 120.94 1vhd h ALA 356 Ca 0.01 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1vhd h ALA 356 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1vhd h ALA 356 CO -0.00 0.42 -0.31 -0.07 0.00 0.00 0.00 179.25 179.29 1vhd h LEU 357 N 0.94 0.00 0.00 0.00 3.38 -0.73 -3.25 115.31 115.65 1vhd h LEU 357 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1vhd h LEU 357 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1vhd h LEU 357 CO -0.03 0.31 -0.18 0.61 0.09 0.00 0.00 178.44 179.24 1vhd n GLY 358 N 0.66 -1.60 0.17 0.83 0.00 0.85 -4.05 105.19 102.06 1vhd n GLY 358 Ca 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 1vhd n GLY 358 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1vhd h VAL 359 N 0.00 0.75 0.00 1.61 2.07 -1.53 -3.50 116.25 115.64 1vhd h VAL 359 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1vhd h VAL 359 Cb 0.71 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1vhd h VAL 359 CO 0.00 0.03 0.00 1.21 0.02 0.00 0.00 177.57 178.83