#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cui n THR 2 N 0.00 0.11 -4.09 0.00 -2.24 -1.26 -4.96 114.28 101.84 3cui n THR 2 Ca 0.00 -0.54 -0.08 0.00 -2.27 0.00 0.00 64.05 61.16 3cui n THR 2 Cb 0.00 0.98 -0.10 0.00 -2.10 0.00 0.00 70.33 69.11 3cui n THR 2 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3cui s THR 3 N -0.11 0.16 0.32 4.28 -4.23 -1.26 -5.03 115.64 109.77 3cui s THR 3 Ca 0.00 -1.78 0.05 0.00 -1.18 0.00 0.00 61.69 58.78 3cui s THR 3 Cb 0.00 -1.73 0.11 0.00 1.34 0.00 0.00 72.50 72.22 3cui s THR 3 CO 0.00 -0.73 1.81 -0.07 -0.54 0.00 0.00 174.62 175.09 3cui h LEU 4 N 2.98 0.39 -0.18 4.79 3.38 -1.86 -1.83 115.31 122.98 3cui h LEU 4 Ca -0.34 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.53 3cui h LEU 4 Cb 1.17 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3cui h LEU 4 CO 0.62 0.59 0.10 0.50 0.09 0.00 0.00 178.44 180.34 3cui h LYS 5 N 0.37 0.21 -0.86 1.13 3.64 -1.67 -0.74 116.57 118.64 3cui h LYS 5 Ca 0.07 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3cui h LYS 5 Cb 0.53 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.25 3cui h LYS 5 CO 0.03 0.14 0.56 0.93 -2.27 0.00 0.00 179.45 178.84 3cui h GLU 6 N 0.21 1.05 -0.16 1.90 5.08 -1.77 0.13 114.58 121.02 3cui h GLU 6 Ca 0.07 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3cui h GLU 6 Cb -0.00 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 3cui h GLU 6 CO -0.04 0.69 0.07 0.00 -1.00 0.00 0.00 179.01 178.74 3cui h ALA 7 N 1.36 0.21 -0.16 3.43 0.00 -0.93 -0.03 119.26 123.14 3cui h ALA 7 Ca 0.34 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3cui h ALA 7 Cb 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3cui h ALA 7 CO -0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 179.25 178.87 3cui h ALA 8 N 0.93 0.22 -0.39 0.00 0.00 -0.94 -1.67 119.26 117.40 3cui h ALA 8 Ca 0.06 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.80 3cui h ALA 8 Cb 0.15 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.79 3cui h ALA 8 CO -0.01 -0.01 -0.21 -0.44 0.00 0.00 0.00 179.25 178.59 3cui h ASP 9 N 0.01 -0.71 0.02 0.00 3.32 -0.71 -1.26 116.42 117.09 3cui h ASP 9 Ca 0.04 0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 3cui h ASP 9 Cb 0.49 0.37 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 3cui h ASP 9 CO 0.02 -0.24 -0.06 1.23 -1.72 0.00 0.00 179.24 178.47 3cui h GLY 10 N -0.14 0.11 1.50 2.75 0.00 -0.84 -1.42 103.07 105.03 3cui h GLY 10 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3cui h GLY 10 CO -0.48 0.05 -0.06 0.00 0.00 0.00 0.00 176.54 176.05 3cui n ALA 11 N -2.51 2.57 -2.49 3.60 0.00 -0.60 -4.93 120.51 116.16 3cui n ALA 11 Ca -0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 53.44 53.14 3cui n ALA 11 Cb 0.17 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.21 3cui n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cui n GLY 12 N 1.35 0.04 3.37 0.00 0.00 -0.54 -5.04 105.19 104.37 3cui n GLY 12 Ca 0.12 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 3cui n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cui s ARG 13 N -4.91 1.51 0.02 1.61 1.81 -0.58 -5.03 118.95 113.38 3cui s ARG 13 Ca 0.10 -1.82 -0.14 0.00 -1.72 0.00 0.00 55.73 52.15 3cui s ARG 13 Cb -0.04 -0.47 -0.06 0.00 -0.45 0.00 0.00 34.95 33.93 3cui s ARG 13 CO 0.12 -0.26 0.42 -0.51 -0.68 0.00 0.00 175.30 174.39 3cui s ASP 14 N -3.38 6.78 -0.20 0.23 1.01 -0.09 -4.02 116.67 117.01 3cui s ASP 14 Ca 0.37 0.94 -0.01 0.00 0.71 0.00 0.00 52.55 54.56 3cui s ASP 14 Cb 0.08 -2.24 0.05 0.00 1.01 0.00 0.00 42.92 41.82 3cui s ASP 14 CO 0.14 0.28 -0.01 0.12 0.21 0.00 0.00 175.17 175.92 3cui s PHE 15 N -1.16 1.56 0.38 4.23 5.36 -1.25 -1.41 117.98 125.68 3cui s PHE 15 Ca 0.26 -1.14 0.08 0.00 -0.96 0.00 0.00 56.93 55.17 3cui s PHE 15 Cb -0.16 -1.24 -0.06 0.00 -0.34 0.00 0.00 43.02 41.22 3cui s PHE 15 CO 0.15 -0.65 0.08 0.20 -1.46 0.00 0.00 175.22 173.54 3cui s GLY 16 N 1.68 2.24 0.06 13.12 0.00 0.09 -0.82 107.32 123.69 3cui s GLY 16 Ca -0.02 -2.08 0.01 0.00 0.00 0.00 0.00 44.72 42.64 3cui s GLY 16 CO -0.07 -1.94 -0.06 -0.11 0.00 0.00 0.00 173.10 170.92 3cui s PHE 17 N -2.58 0.66 -0.33 1.90 -0.71 -0.95 -0.89 117.98 115.08 3cui s PHE 17 Ca 0.37 -0.71 -0.27 0.00 -1.04 0.00 0.00 56.93 55.29 3cui s PHE 17 Cb 0.03 -0.40 0.01 0.00 -1.21 0.00 0.00 43.02 41.45 3cui s PHE 17 CO 0.20 -0.16 0.96 0.00 -1.34 0.00 0.00 175.22 174.88 3cui s ALA 18 N -2.43 3.47 -0.08 1.99 0.00 -0.81 -1.59 121.76 122.31 3cui s ALA 18 Ca -0.02 -0.28 -0.14 0.00 0.00 0.00 0.00 51.96 51.52 3cui s ALA 18 Cb -0.03 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 3cui s ALA 18 CO -0.03 -1.46 0.36 -1.17 0.00 0.00 0.00 175.76 173.46 3cui s LEU 19 N 3.43 4.36 -0.37 0.00 2.96 0.43 -4.05 118.68 125.43 3cui s LEU 19 Ca 0.40 0.75 -0.11 0.00 -0.22 0.00 0.00 54.13 54.95 3cui s LEU 19 Cb -0.13 -2.48 0.03 0.00 0.50 0.00 0.00 46.19 44.11 3cui s LEU 19 CO 0.16 0.21 0.20 -0.62 -1.32 0.00 0.00 176.35 174.98 3cui s ASP 20 N -0.32 5.72 0.59 3.68 -1.08 -1.26 -1.51 116.67 122.49 3cui s ASP 20 Ca 0.21 -0.99 0.36 0.00 -0.52 0.00 0.00 52.55 51.61 3cui s ASP 20 Cb -0.15 -2.02 1.88 0.00 -1.46 0.00 0.00 42.92 41.17 3cui s ASP 20 CO 0.09 -0.38 2.20 1.55 0.52 0.00 0.00 175.17 179.16 3cui h PRO 21 N 8.43 0.00 0.00 4.34 0.13 -1.97 -0.32 132.00 142.61 3cui h PRO 21 Ca -0.26 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 3cui h PRO 21 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3cui h PRO 21 CO 0.66 0.03 -0.15 -0.91 -0.23 0.00 0.00 178.00 177.41 3cui h ASN 22 N 0.00 0.00 0.68 1.44 2.35 -1.97 -2.29 115.58 115.78 3cui h ASN 22 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3cui h ASN 22 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 3cui h ASN 22 CO 0.00 0.15 0.00 0.54 -1.65 0.00 0.00 177.43 176.47 3cui n ARG 23 N -3.70 0.31 0.30 0.81 5.12 -0.13 -3.31 116.66 116.06 3cui n ARG 23 Ca -0.02 0.01 0.19 0.00 -1.93 0.00 0.00 57.85 56.10 3cui n ARG 23 Cb 0.27 -1.50 0.95 0.00 -1.16 0.00 0.00 32.46 31.01 3cui n ARG 23 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3cui h LEU 24 N 0.00 0.00 0.00 0.55 3.38 -1.51 -0.86 115.31 116.87 3cui h LEU 24 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3cui h LEU 24 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3cui h LEU 24 CO 0.00 0.02 0.00 -1.54 0.09 0.00 0.00 178.44 177.01 3cui n SER 25 N -3.22 0.00 -4.48 -0.43 3.41 -1.21 -4.48 113.62 103.21 3cui n SER 25 Ca -0.02 0.34 -0.43 0.00 -0.26 0.00 0.00 58.87 58.50 3cui n SER 25 Cb 0.18 -0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 63.62 3cui n SER 25 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3cui s GLU 26 N -2.89 3.19 0.39 4.33 2.02 -0.33 -4.97 118.70 120.45 3cui s GLU 26 Ca 0.17 -0.64 0.06 0.00 0.02 0.00 0.00 54.97 54.57 3cui s GLU 26 Cb 0.18 -4.02 0.79 0.00 0.10 0.00 0.00 34.13 31.18 3cui s GLU 26 CO 0.47 -1.09 2.02 0.00 0.02 0.00 0.00 175.26 176.69 3cui h ALA 27 N 8.92 1.63 -0.52 5.21 0.00 -1.83 -1.38 119.26 131.29 3cui h ALA 27 Ca -0.26 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 3cui h ALA 27 Cb 1.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3cui h ALA 27 CO 0.91 0.32 -0.02 0.37 0.00 0.00 0.00 179.25 180.83 3cui h GLN 28 N 0.59 0.93 -0.05 0.00 5.75 -1.93 0.81 115.11 121.20 3cui h GLN 28 Ca 0.16 -0.31 0.02 0.00 -0.15 0.00 0.00 58.65 58.37 3cui h GLN 28 Cb -0.01 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 3cui h GLN 28 CO -0.03 0.96 -0.05 -0.92 -2.65 0.00 0.00 178.83 176.14 3cui h TYR 29 N 0.79 -0.13 -0.81 3.99 5.03 -1.64 -2.39 116.97 121.81 3cui h TYR 29 Ca 0.14 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.45 3cui h TYR 29 Cb 0.55 0.07 -0.04 0.00 1.55 0.00 0.00 36.73 38.86 3cui h TYR 29 CO 0.04 -0.09 0.45 -0.22 -1.32 0.00 0.00 178.16 177.03 3cui h LYS 30 N -0.07 1.13 -0.70 1.82 3.64 -1.11 -0.66 116.57 120.61 3cui h LYS 30 Ca 0.04 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 3cui h LYS 30 Cb 0.13 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 3cui h LYS 30 CO -0.10 0.82 0.33 0.00 -2.27 0.00 0.00 179.45 178.23 3cui h ALA 31 N 1.36 0.91 -0.21 5.00 0.00 -0.59 0.90 119.26 126.63 3cui h ALA 31 Ca 0.29 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3cui h ALA 31 Cb 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3cui h ALA 31 CO -0.05 0.49 -0.36 0.82 0.00 0.00 0.00 179.25 180.15 3cui h ILE 32 N 0.99 1.32 -0.57 0.00 2.04 -1.13 -2.53 117.51 117.63 3cui h ILE 32 Ca 0.24 -1.57 0.09 0.00 1.00 0.00 0.00 64.86 64.62 3cui h ILE 32 Cb 0.14 1.81 -0.07 0.00 -0.74 0.00 0.00 36.82 37.96 3cui h ILE 32 CO -0.03 0.49 0.17 0.00 0.00 0.00 0.00 178.15 178.78 3cui h ALA 33 N 0.62 0.70 -0.64 1.87 0.00 -0.88 -0.22 119.26 120.71 3cui h ALA 33 Ca 0.02 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3cui h ALA 33 Cb 0.95 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3cui h ALA 33 CO 0.08 -0.25 0.07 -0.44 0.00 0.00 0.00 179.25 178.71 3cui h ASP 34 N 0.33 1.05 0.00 0.00 3.32 -0.76 -3.34 116.42 117.02 3cui h ASP 34 Ca 0.29 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3cui h ASP 34 Cb 0.38 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3cui h ASP 34 CO -0.33 1.06 -1.64 -1.54 -1.72 0.00 0.00 179.24 175.07 3cui n SER 35 N -4.20 0.44 -0.40 6.45 3.41 -0.96 -4.62 113.62 113.75 3cui n SER 35 Ca 0.04 -0.31 0.06 0.00 -0.26 0.00 0.00 58.87 58.40 3cui n SER 35 Cb 0.31 1.66 0.03 0.00 -0.26 0.00 0.00 64.21 65.95 3cui n SER 35 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3cui n GLU 36 N -1.99 1.39 -4.03 4.33 -0.58 -0.12 -4.38 120.64 115.24 3cui n GLU 36 Ca -0.01 -0.97 -0.12 0.00 -0.42 0.00 0.00 57.16 55.63 3cui n GLU 36 Cb 0.47 -1.20 -0.12 0.00 -0.57 0.00 0.00 31.44 30.03 3cui n GLU 36 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3cui s PHE 37 N -1.34 0.49 -0.41 -0.32 0.08 -1.25 -2.37 117.98 112.85 3cui s PHE 37 Ca 0.13 -0.46 0.07 0.00 0.12 0.00 0.00 56.93 56.79 3cui s PHE 37 Cb 0.10 -0.31 0.20 0.00 -0.57 0.00 0.00 43.02 42.44 3cui s PHE 37 CO 0.24 -0.11 1.16 0.27 -0.10 0.00 0.00 175.22 176.67 3cui n ASN 38 N 1.68 2.58 -3.76 1.36 0.23 -0.00 -4.92 115.26 112.43 3cui n ASN 38 Ca -0.22 -2.17 -0.13 0.00 -0.53 0.00 0.00 54.58 51.52 3cui n ASN 38 Cb 0.55 -0.18 -0.09 0.00 -2.08 0.00 0.00 39.78 37.98 3cui n ASN 38 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3cui s LEU 39 N -1.31 0.80 0.01 -4.53 0.20 -1.17 -1.43 118.68 111.25 3cui s LEU 39 Ca 0.16 0.26 0.03 0.00 0.69 0.00 0.00 54.13 55.26 3cui s LEU 39 Cb 0.10 1.25 -0.01 0.00 -0.43 0.00 0.00 46.19 47.10 3cui s LEU 39 CO 0.08 -0.36 -0.09 0.54 -0.29 0.00 0.00 176.35 176.23 3cui s VAL 40 N -0.91 0.66 0.08 1.68 0.11 0.11 -2.24 120.40 119.88 3cui s VAL 40 Ca -0.10 -0.62 0.07 0.00 -2.93 0.00 0.00 61.98 58.40 3cui s VAL 40 Cb -0.04 -0.61 -0.03 0.00 -1.53 0.00 0.00 36.38 34.17 3cui s VAL 40 CO 0.03 0.00 -0.18 0.54 -3.33 0.00 0.00 175.10 172.16 3cui s VAL 41 N -0.58 1.44 -0.17 2.04 0.11 -0.62 -0.96 120.40 121.66 3cui s VAL 41 Ca -0.01 -1.38 -0.29 0.00 -2.93 0.00 0.00 61.98 57.37 3cui s VAL 41 Cb -0.05 -1.33 -0.01 0.00 -1.53 0.00 0.00 36.38 33.46 3cui s VAL 41 CO 0.00 -0.09 1.16 0.00 -3.33 0.00 0.00 175.10 172.84 3cui s ALA 42 N -1.14 3.63 0.27 1.54 0.00 -1.26 -0.43 121.76 124.37 3cui s ALA 42 Ca 0.03 0.37 -0.03 0.00 0.00 0.00 0.00 51.96 52.33 3cui s ALA 42 Cb -0.10 -3.57 0.38 0.00 0.00 0.00 0.00 23.12 19.84 3cui s ALA 42 CO 0.03 -1.03 1.91 1.49 0.00 0.00 0.00 175.76 178.16 3cui h GLU 43 N 7.76 1.18 0.00 0.00 4.81 -1.55 -3.41 114.58 123.37 3cui h GLU 43 Ca -0.25 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3cui h GLU 43 Cb 1.10 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.21 3cui h GLU 43 CO 0.95 0.78 0.00 0.09 -0.73 0.00 0.00 179.01 180.10 3cui n ASN 44 N -4.45 0.00 0.14 1.04 3.02 -1.26 -4.95 115.26 108.79 3cui n ASN 44 Ca 0.13 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.80 3cui n ASN 44 Cb 0.11 0.00 0.51 0.00 -0.61 0.00 0.00 39.78 39.79 3cui n ASN 44 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cui n ALA 45 N -0.25 1.54 -0.39 5.41 0.00 -1.26 -2.20 120.51 123.36 3cui n ALA 45 Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.61 3cui n ALA 45 Cb 0.00 -1.37 0.17 0.00 0.00 0.00 0.00 19.45 18.24 3cui n ALA 45 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3cui n MET 46 N -2.24 2.86 -1.71 0.00 2.81 -1.26 -3.63 117.12 113.95 3cui n MET 46 Ca 0.01 -2.21 -0.29 0.00 -1.81 0.00 0.00 57.70 53.40 3cui n MET 46 Cb 0.19 -1.39 0.09 0.00 -0.71 0.00 0.00 33.22 31.40 3cui n MET 46 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3cui s LYS 47 N -1.50 2.05 0.15 0.03 1.02 -0.94 -3.38 119.74 117.16 3cui s LYS 47 Ca 0.26 0.39 -0.15 0.00 0.02 0.00 0.00 55.97 56.50 3cui s LYS 47 Cb 0.17 -1.93 0.02 0.00 -0.52 0.00 0.00 37.83 35.57 3cui s LYS 47 CO 0.12 -1.59 1.72 2.35 -0.92 0.00 0.00 175.35 177.03 3cui h TRP 48 N -1.06 0.68 -0.72 3.18 2.91 -1.75 -1.54 115.95 117.65 3cui h TRP 48 Ca -0.47 -0.04 0.09 0.00 1.13 0.00 0.00 58.89 59.60 3cui h TRP 48 Cb 1.29 -0.21 -0.05 0.00 -0.51 0.00 0.00 29.16 29.69 3cui h TRP 48 CO 0.40 0.56 0.47 0.38 -1.03 0.00 0.00 178.44 179.22 3cui h ASP 49 N 0.60 0.57 1.46 2.65 2.03 -1.68 0.58 116.42 122.63 3cui h ASP 49 Ca 0.16 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.47 3cui h ASP 49 Cb 0.15 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 38.54 3cui h ASP 49 CO -0.02 0.35 -0.20 0.00 -1.03 0.00 0.00 179.24 178.34 3cui h ALA 50 N 1.63 0.88 0.00 4.15 0.00 -1.68 -3.37 119.26 120.87 3cui h ALA 50 Ca 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 3cui h ALA 50 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3cui h ALA 50 CO -0.11 0.00 -1.30 0.25 0.00 0.00 0.00 179.25 178.09 3cui n THR 51 N -2.50 0.24 -3.23 0.00 -2.24 -0.63 -4.59 114.28 101.33 3cui n THR 51 Ca 0.04 -0.18 -0.25 0.00 -2.27 0.00 0.00 64.05 61.40 3cui n THR 51 Cb 0.47 -0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 68.08 3cui n THR 51 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3cui n GLU 52 N -2.05 0.81 0.23 -0.78 2.13 0.13 -0.65 120.64 120.47 3cui n GLU 52 Ca -0.06 -3.34 0.10 0.00 0.66 0.00 0.00 57.16 54.52 3cui n GLU 52 Cb 0.52 -1.34 0.57 0.00 0.27 0.00 0.00 31.44 31.45 3cui n GLU 52 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 3cui h PRO 53 N 4.17 0.00 -4.80 5.31 0.13 -1.72 -3.44 132.00 131.65 3cui h PRO 53 Ca 0.10 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.93 3cui h PRO 53 Cb 0.86 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.85 3cui h PRO 53 CO 0.48 0.20 -0.65 -1.54 -0.23 0.00 0.00 178.00 176.27 3cui s SER 54 N -6.25 1.15 0.05 1.44 1.04 -1.25 -4.90 113.70 104.98 3cui s SER 54 Ca -0.01 -1.23 -0.30 0.00 0.48 0.00 0.00 55.95 54.88 3cui s SER 54 Cb 0.12 0.14 -0.09 0.00 0.10 0.00 0.00 66.02 66.29 3cui s SER 54 CO 0.62 -0.62 1.79 -1.58 0.98 0.00 0.00 173.24 174.44 3cui s GLN 55 N -3.95 4.16 -1.50 4.02 0.74 -1.26 -1.69 119.66 120.17 3cui s GLN 55 Ca 0.28 2.46 0.00 0.00 0.05 0.00 0.00 55.36 58.15 3cui s GLN 55 Cb 0.07 -3.83 0.00 0.00 1.10 0.00 0.00 33.01 30.35 3cui s GLN 55 CO 0.06 -0.85 0.00 -1.71 -0.55 0.00 0.00 175.29 172.25 3cui n ASN 56 N 6.45 -5.03 -3.97 6.67 5.15 -1.26 -4.97 115.26 118.29 3cui n ASN 56 Ca 0.18 0.10 -0.30 0.00 -0.60 0.00 0.00 54.58 53.96 3cui n ASN 56 Cb 0.40 -4.24 -0.16 0.00 -0.53 0.00 0.00 39.78 35.25 3cui n ASN 56 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3cui s SER 57 N -2.07 3.20 0.01 1.20 0.15 -0.68 -5.12 113.70 110.38 3cui s SER 57 Ca 0.00 -0.80 0.01 0.00 0.70 0.00 0.00 55.95 55.86 3cui s SER 57 Cb 0.00 -1.15 -0.04 0.00 -1.71 0.00 0.00 66.02 63.12 3cui s SER 57 CO 0.00 -0.15 0.05 -0.36 1.20 0.00 0.00 173.24 173.98 3cui s PHE 58 N 1.46 3.19 -0.51 3.44 0.40 -1.26 -3.52 117.98 121.18 3cui s PHE 58 Ca -0.00 0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.50 3cui s PHE 58 Cb -0.16 -1.70 0.15 0.00 0.51 0.00 0.00 43.02 41.82 3cui s PHE 58 CO -0.08 0.51 0.31 -1.54 0.70 0.00 0.00 175.22 175.12 3cui s SER 59 N -1.75 3.84 0.00 1.36 1.04 0.18 -4.98 113.70 113.39 3cui s SER 59 Ca 0.22 -3.04 0.24 0.00 0.48 0.00 0.00 55.95 53.85 3cui s SER 59 Cb -0.12 -1.25 0.64 0.00 0.10 0.00 0.00 66.02 65.39 3cui s SER 59 CO 0.13 -0.21 1.51 0.49 0.98 0.00 0.00 173.24 176.14 3cui n PHE 60 N 3.02 0.18 -0.09 5.02 3.72 -1.26 -4.32 117.46 123.73 3cui n PHE 60 Ca 0.12 -0.09 -0.06 0.00 -0.05 0.00 0.00 57.45 57.37 3cui n PHE 60 Cb 0.35 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 3cui n PHE 60 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3cui h GLY 61 N 4.81 0.28 0.97 1.37 0.00 -1.93 0.24 103.07 108.80 3cui h GLY 61 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.30 3cui h GLY 61 CO 0.00 -0.09 -0.18 0.00 0.00 0.00 0.00 176.54 176.26 3cui h ALA 62 N 1.30 0.48 -0.62 3.60 0.00 -1.88 -0.70 119.26 121.44 3cui h ALA 62 Ca 0.15 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3cui h ALA 62 Cb 0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3cui h ALA 62 CO -0.29 0.41 0.09 0.78 0.00 0.00 0.00 179.25 180.25 3cui h GLY 63 N 0.50 1.10 1.17 0.00 0.00 -1.57 -2.38 103.07 101.88 3cui h GLY 63 Ca 0.07 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 3cui h GLY 63 CO 0.05 0.66 0.40 -0.55 0.00 0.00 0.00 176.54 177.11 3cui h ASP 64 N 0.96 0.97 -0.91 0.19 3.32 -0.35 -0.80 116.42 119.81 3cui h ASP 64 Ca 0.19 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3cui h ASP 64 Cb 0.42 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 3cui h ASP 64 CO 0.01 0.80 0.52 -0.09 -1.72 0.00 0.00 179.24 178.76 3cui h ARG 65 N 1.09 1.25 -0.19 3.56 9.65 -0.64 0.19 114.38 129.28 3cui h ARG 65 Ca 0.27 -0.13 -0.04 0.00 -1.10 0.00 0.00 59.98 58.98 3cui h ARG 65 Cb 0.05 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.38 3cui h ARG 65 CO -0.04 0.89 -0.03 0.28 2.80 0.00 0.00 179.97 183.87 3cui h VAL 66 N 1.26 1.28 -0.74 0.20 2.07 -1.06 -1.29 116.25 117.97 3cui h VAL 66 Ca 0.32 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3cui h VAL 66 Cb -0.01 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3cui h VAL 66 CO -0.06 0.30 0.47 0.00 0.02 0.00 0.00 177.57 178.30 3cui h ALA 67 N 0.74 0.94 -0.60 1.67 0.00 -0.78 -1.63 119.26 119.60 3cui h ALA 67 Ca 0.05 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3cui h ALA 67 Cb 0.46 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3cui h ALA 67 CO 0.02 0.38 0.08 0.77 0.00 0.00 0.00 179.25 180.49 3cui h SER 68 N 1.00 0.95 -0.28 0.00 0.02 -0.57 -0.96 113.55 113.72 3cui h SER 68 Ca 0.27 -0.22 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3cui h SER 68 Cb -0.08 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.17 3cui h SER 68 CO -0.05 0.96 0.05 0.22 -1.14 0.00 0.00 176.83 176.87 3cui h TYR 69 N 0.93 0.08 -0.40 3.45 3.20 -0.84 0.16 116.97 123.55 3cui h TYR 69 Ca 0.18 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.10 3cui h TYR 69 Cb 0.43 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 3cui h TYR 69 CO 0.03 0.02 0.20 0.00 -1.64 0.00 0.00 178.16 176.76 3cui h ALA 70 N 1.21 0.50 -0.48 1.82 0.00 -0.94 -1.91 119.26 119.46 3cui h ALA 70 Ca 0.13 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3cui h ALA 70 Cb 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3cui h ALA 70 CO -0.17 -0.16 -0.15 0.00 0.00 0.00 0.00 179.25 178.77 3cui h ALA 71 N 1.22 0.84 0.00 0.00 0.00 -0.79 -0.12 119.26 120.41 3cui h ALA 71 Ca 0.17 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3cui h ALA 71 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3cui h ALA 71 CO -0.12 0.65 -0.41 -0.44 0.00 0.00 0.00 179.25 178.93 3cui h ASP 72 N 0.81 0.00 -0.03 0.00 3.32 -0.41 -3.00 116.42 117.11 3cui h ASP 72 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3cui h ASP 72 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 3cui h ASP 72 CO 0.05 0.41 0.00 0.35 -1.72 0.00 0.00 179.24 178.33 3cui n THR 73 N -3.87 0.01 -3.01 0.35 -2.24 -0.74 -4.99 114.28 99.78 3cui n THR 73 Ca -0.01 -0.50 -0.14 0.00 -2.27 0.00 0.00 64.05 61.12 3cui n THR 73 Cb 0.46 1.35 0.04 0.00 -2.10 0.00 0.00 70.33 70.08 3cui n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cui n GLY 74 N 0.95 0.03 3.79 3.38 0.00 -0.21 -5.03 105.19 108.09 3cui n GLY 74 Ca 0.10 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 3cui n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cui s LYS 75 N -5.61 2.99 0.53 1.61 1.02 -0.29 -4.98 119.74 115.02 3cui s LYS 75 Ca 0.30 -0.59 -0.22 0.00 0.02 0.00 0.00 55.97 55.47 3cui s LYS 75 Cb -0.13 -2.80 -0.05 0.00 -0.52 0.00 0.00 37.83 34.33 3cui s LYS 75 CO 0.37 0.60 1.36 -1.21 -0.92 0.00 0.00 175.35 175.55 3cui s GLU 76 N -2.13 3.26 -0.16 1.68 0.41 -0.52 -4.55 118.70 116.69 3cui s GLU 76 Ca 0.27 2.24 -0.01 0.00 -0.41 0.00 0.00 54.97 57.07 3cui s GLU 76 Cb -0.12 -2.33 -0.01 0.00 -1.78 0.00 0.00 34.13 29.89 3cui s GLU 76 CO 0.19 -1.10 -0.13 -1.17 -0.49 0.00 0.00 175.26 172.57 3cui s LEU 77 N -3.37 2.63 -0.12 1.80 2.96 -1.26 -0.71 118.68 120.60 3cui s LEU 77 Ca 0.69 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 54.18 3cui s LEU 77 Cb -0.40 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 3cui s LEU 77 CO 0.48 0.09 -0.08 -0.47 -1.32 0.00 0.00 176.35 175.06 3cui s TYR 78 N 0.80 2.92 -0.18 5.38 6.14 -0.14 -1.33 117.35 130.94 3cui s TYR 78 Ca -0.05 -0.29 -0.13 0.00 0.64 0.00 0.00 57.07 57.24 3cui s TYR 78 Cb -0.15 -1.83 -0.05 0.00 0.42 0.00 0.00 41.96 40.35 3cui s TYR 78 CO 0.01 0.04 0.28 0.20 0.64 0.00 0.00 175.55 176.72 3cui s GLY 79 N -0.05 2.14 -0.07 8.97 0.00 0.15 -4.11 107.32 114.34 3cui s GLY 79 Ca -0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 44.72 44.15 3cui s GLY 79 CO 0.03 0.47 0.09 -1.58 0.00 0.00 0.00 173.10 172.11 3cui s HIS 80 N 0.69 0.03 -0.08 1.90 2.46 -1.26 -0.24 115.29 118.79 3cui s HIS 80 Ca 0.15 0.23 -0.19 0.00 0.47 0.00 0.00 55.06 55.71 3cui s HIS 80 Cb -0.13 -0.47 0.04 0.00 -0.13 0.00 0.00 32.58 31.89 3cui s HIS 80 CO 0.04 -0.27 0.46 -0.08 -2.47 0.00 0.00 174.74 172.42 3cui s THR 81 N 2.19 0.02 -0.03 0.89 -1.32 -1.22 -3.60 115.64 112.58 3cui s THR 81 Ca 0.04 -0.20 -0.21 0.00 -1.21 0.00 0.00 61.69 60.11 3cui s THR 81 Cb -0.13 -0.73 -0.29 0.00 -1.51 0.00 0.00 72.50 69.85 3cui s THR 81 CO -0.05 -0.11 0.97 -0.07 -2.21 0.00 0.00 174.62 173.15 3cui h LEU 82 N 4.17 0.49 -7.64 9.08 3.38 -1.30 -3.39 115.31 120.10 3cui h LEU 82 Ca -0.28 -0.88 -0.54 0.00 0.09 0.00 0.00 57.88 56.26 3cui h LEU 82 Cb 1.17 -0.16 -0.37 0.00 0.09 0.00 0.00 40.66 41.39 3cui h LEU 82 CO 0.33 1.33 -0.80 -0.69 0.09 0.00 0.00 178.44 178.70 3cui s VAL 83 N -2.71 1.07 -0.22 1.22 1.01 -0.19 -4.79 120.40 115.79 3cui s VAL 83 Ca -0.13 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 3cui s VAL 83 Cb 0.02 -1.19 0.06 0.00 0.00 0.00 0.00 36.38 35.27 3cui s VAL 83 CO 0.83 0.21 0.58 0.86 0.00 0.00 0.00 175.10 177.58 3cui s TRP 84 N 1.67 -0.66 0.14 5.22 -0.00 -1.26 -1.20 118.94 122.84 3cui s TRP 84 Ca 0.02 1.58 0.27 0.00 -0.00 0.00 0.00 56.10 57.98 3cui s TRP 84 Cb -0.14 0.25 1.10 0.00 -0.00 0.00 0.00 33.47 34.67 3cui s TRP 84 CO -0.08 -0.32 1.89 1.12 -0.00 0.00 0.00 176.95 179.56 3cui h HIS 85 N 5.42 0.00 -2.94 5.86 2.07 -1.91 -3.43 115.15 120.23 3cui h HIS 85 Ca -0.29 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 56.74 3cui h HIS 85 Cb 1.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.16 3cui h HIS 85 CO 0.37 0.14 -0.18 -1.12 -3.07 0.00 0.00 177.93 174.06 3cui s SER 86 N -6.02 6.34 -1.52 3.10 0.01 -1.26 -4.31 113.70 110.04 3cui s SER 86 Ca 0.01 0.53 -0.13 0.00 1.31 0.00 0.00 55.95 57.66 3cui s SER 86 Cb 0.10 -2.07 0.08 0.00 0.21 0.00 0.00 66.02 64.34 3cui s SER 86 CO 0.60 -0.25 0.95 0.00 0.41 0.00 0.00 173.24 174.95 3cui n GLN 87 N -1.46 -5.46 -3.70 12.44 6.02 -1.26 -4.89 117.38 119.06 3cui n GLN 87 Ca -0.04 0.61 -0.37 0.00 -0.01 0.00 0.00 57.00 57.19 3cui n GLN 87 Cb 0.55 -5.50 -0.12 0.00 1.02 0.00 0.00 30.24 26.19 3cui n GLN 87 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3cui s LEU 88 N -7.22 3.68 0.70 1.08 2.96 -1.26 -1.89 118.68 116.73 3cui s LEU 88 Ca 0.64 -0.24 -0.17 0.00 -0.22 0.00 0.00 54.13 54.15 3cui s LEU 88 Cb -0.32 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.40 3cui s LEU 88 CO 0.79 -0.07 1.14 -2.65 -1.32 0.00 0.00 176.35 174.24 3cui n PRO 89 N 4.96 0.74 -0.15 0.98 -0.02 -1.26 -4.82 135.00 135.43 3cui n PRO 89 Ca -0.15 0.31 0.05 0.00 -2.02 0.00 0.00 63.50 61.69 3cui n PRO 89 Cb 0.51 -2.38 0.36 0.00 -0.02 0.00 0.00 33.50 31.96 3cui n PRO 89 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3cui h ASP 90 N 0.03 0.64 -0.65 2.55 3.32 -1.98 -1.69 116.42 118.63 3cui h ASP 90 Ca -0.49 -0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.64 3cui h ASP 90 Cb 1.33 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 3cui h ASP 90 CO 0.50 0.43 0.43 4.11 -1.72 0.00 0.00 179.24 182.99 3cui h TRP 91 N 0.74 0.58 -0.05 4.55 5.08 -1.90 -0.81 115.95 124.15 3cui h TRP 91 Ca 0.27 0.02 -0.20 0.00 1.08 0.00 0.00 58.89 60.06 3cui h TRP 91 Cb 0.15 -0.19 0.01 0.00 -3.00 0.00 0.00 29.16 26.14 3cui h TRP 91 CO -0.00 0.29 -0.76 0.00 -1.28 0.00 0.00 178.44 176.69 3cui h ALA 92 N 1.66 0.15 -0.10 0.11 0.00 -1.67 -3.07 119.26 116.35 3cui h ALA 92 Ca 0.29 -0.61 0.03 0.00 0.00 0.00 0.00 54.91 54.63 3cui h ALA 92 Cb 0.42 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3cui h ALA 92 CO -0.09 0.52 0.09 0.87 0.00 0.00 0.00 179.25 180.64 3cui h LYS 93 N 0.21 0.00 -0.00 0.00 1.57 -1.12 -2.15 116.57 115.09 3cui h LYS 93 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3cui h LYS 93 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.74 3cui h LYS 93 CO 0.15 0.00 -0.05 0.09 -0.57 0.00 0.00 179.45 179.08 3cui n ASN 94 N -4.09 0.05 -4.90 0.86 3.02 -0.37 -4.83 115.26 105.00 3cui n ASN 94 Ca -0.01 0.37 -0.29 0.00 -0.03 0.00 0.00 54.58 54.62 3cui n ASN 94 Cb 0.19 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 3cui n ASN 94 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3cui s LEU 95 N -2.96 3.94 0.15 3.41 1.43 -0.81 -5.09 118.68 118.75 3cui s LEU 95 Ca 0.15 0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 54.10 3cui s LEU 95 Cb 0.19 -3.71 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 3cui s LEU 95 CO 0.54 -0.30 0.09 0.20 0.23 0.00 0.00 176.35 177.10 3cui s ASN 96 N -3.28 0.26 0.81 2.29 0.01 -1.26 -4.69 114.94 109.07 3cui s ASN 96 Ca 0.46 -1.22 0.00 0.00 -0.71 0.00 0.00 52.86 51.39 3cui s ASN 96 Cb -0.10 0.32 0.00 0.00 0.41 0.00 0.00 41.25 41.88 3cui s ASN 96 CO 0.32 -0.76 0.00 0.61 -1.51 0.00 0.00 177.10 175.76 3cui n GLY 97 N -0.14 2.64 0.24 0.66 0.00 -1.26 -2.14 105.19 105.19 3cui n GLY 97 Ca -0.04 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.73 3cui n GLY 97 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3cui h SER 98 N 7.11 0.00 -0.41 1.61 4.64 -1.99 -1.22 113.55 123.29 3cui h SER 98 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3cui h SER 98 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3cui h SER 98 CO 0.00 0.13 -0.17 0.00 -0.87 0.00 0.00 176.83 175.93 3cui h ALA 99 N 1.87 0.83 -0.14 5.18 0.00 -1.86 0.73 119.26 125.87 3cui h ALA 99 Ca -0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 3cui h ALA 99 Cb 0.25 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3cui h ALA 99 CO 0.02 0.65 -0.19 0.35 0.00 0.00 0.00 179.25 180.08 3cui h PHE 100 N 0.79 0.47 -0.61 0.00 3.57 -0.81 -2.09 116.94 118.25 3cui h PHE 100 Ca 0.12 -0.15 0.07 0.00 3.53 0.00 0.00 57.97 61.54 3cui h PHE 100 Cb 0.70 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 3cui h PHE 100 CO 0.04 0.80 0.29 1.49 -2.23 0.00 0.00 178.31 178.71 3cui h GLU 101 N -0.00 0.52 -0.69 1.11 4.81 -1.11 -1.19 114.58 118.03 3cui h GLU 101 Ca 0.02 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3cui h GLU 101 Cb 0.74 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.96 3cui h GLU 101 CO 0.04 0.34 0.43 1.03 -0.73 0.00 0.00 179.01 180.12 3cui h SER 102 N 0.54 0.69 -0.55 1.04 0.87 -0.83 -0.34 113.55 114.97 3cui h SER 102 Ca 0.29 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.82 3cui h SER 102 Cb 0.26 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 3cui h SER 102 CO -0.23 0.47 0.22 0.00 -0.53 0.00 0.00 176.83 176.77 3cui h ALA 103 N 1.31 0.71 -0.07 6.23 0.00 -0.76 0.44 119.26 127.12 3cui h ALA 103 Ca 0.28 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3cui h ALA 103 Cb 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3cui h ALA 103 CO -0.12 0.32 -0.00 1.98 0.00 0.00 0.00 179.25 181.43 3cui h MET 104 N 0.75 0.02 -0.69 0.00 -1.53 -0.86 -0.44 114.93 112.18 3cui h MET 104 Ca 0.18 -0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.42 3cui h MET 104 Cb 0.19 -0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.21 3cui h MET 104 CO -0.02 0.01 0.36 0.28 0.14 0.00 0.00 176.91 177.68 3cui h VAL 105 N 0.02 1.22 -0.60 -5.77 2.07 -0.82 -1.01 116.25 111.36 3cui h VAL 105 Ca 0.03 -0.59 -0.09 0.00 0.82 0.00 0.00 66.70 66.87 3cui h VAL 105 Cb 0.04 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3cui h VAL 105 CO -0.06 0.25 0.02 -1.13 0.02 0.00 0.00 177.57 176.67 3cui h ASN 106 N 0.95 1.01 0.02 0.57 -1.24 -0.80 -0.14 115.58 115.96 3cui h ASN 106 Ca 0.24 -0.27 -0.00 0.00 0.71 0.00 0.00 56.30 56.97 3cui h ASN 106 Cb 0.07 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 38.85 3cui h ASN 106 CO -0.04 1.05 -0.01 -0.74 -1.29 0.00 0.00 177.43 176.41 3cui h HIS 107 N 0.96 -0.03 -0.21 0.67 2.76 -0.62 0.70 115.15 119.39 3cui h HIS 107 Ca 0.17 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.39 3cui h HIS 107 Cb 0.53 0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.45 3cui h HIS 107 CO 0.04 0.09 -0.06 0.28 -1.30 0.00 0.00 177.93 176.98 3cui h VAL 108 N -0.14 0.77 0.15 5.26 2.07 -1.06 -1.51 116.25 121.79 3cui h VAL 108 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3cui h VAL 108 Cb 0.13 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3cui h VAL 108 CO 0.00 0.00 -0.07 0.74 0.02 0.00 0.00 177.57 178.26 3cui h THR 109 N -0.02 0.88 -0.62 2.57 2.02 -0.81 -1.18 112.91 115.75 3cui h THR 109 Ca 0.10 -0.12 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 3cui h THR 109 Cb 0.17 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3cui h THR 109 CO -0.22 0.03 0.03 0.11 0.37 0.00 0.00 175.52 175.83 3cui h LYS 110 N -0.26 1.07 -0.08 6.66 1.79 -0.79 0.20 116.57 125.16 3cui h LYS 110 Ca -0.02 -0.33 -0.16 0.00 -2.18 0.00 0.00 60.65 57.96 3cui h LYS 110 Cb 0.20 -0.10 0.01 0.00 -1.58 0.00 0.00 32.23 30.76 3cui h LYS 110 CO 0.03 1.03 -0.60 0.28 -1.08 0.00 0.00 179.45 179.12 3cui h VAL 111 N 0.97 1.36 -0.64 0.50 2.07 -1.27 -0.17 116.25 119.09 3cui h VAL 111 Ca 0.18 -1.93 -0.05 0.00 0.82 0.00 0.00 66.70 65.71 3cui h VAL 111 Cb 0.53 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.55 3cui h VAL 111 CO 0.03 0.58 0.18 0.00 0.02 0.00 0.00 177.57 178.38 3cui h ALA 112 N 0.44 0.83 -0.58 1.67 0.00 -1.19 -2.44 119.26 117.99 3cui h ALA 112 Ca -0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3cui h ALA 112 Cb 1.26 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3cui h ALA 112 CO 0.12 0.52 0.22 -0.44 0.00 0.00 0.00 179.25 179.67 3cui h ASP 113 N 0.92 0.81 -0.86 0.00 3.32 -0.91 -1.53 116.42 118.18 3cui h ASP 113 Ca 0.20 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.11 3cui h ASP 113 Cb 0.32 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 3cui h ASP 113 CO -0.00 0.78 0.55 -0.74 -1.72 0.00 0.00 179.24 178.10 3cui h HIS 114 N 0.80 1.03 -0.51 4.55 2.76 -0.71 -2.68 115.15 120.40 3cui h HIS 114 Ca 0.19 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 3cui h HIS 114 Cb 0.23 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 28.85 3cui h HIS 114 CO 0.01 0.59 0.00 1.19 -1.30 0.00 0.00 177.93 178.42 3cui n PHE 115 N -4.55 0.67 -1.72 5.26 3.72 -0.95 -4.99 117.46 114.90 3cui n PHE 115 Ca 0.11 -0.34 -0.43 0.00 -0.05 0.00 0.00 57.45 56.74 3cui n PHE 115 Cb 0.09 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.61 3cui n PHE 115 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3cui n GLU 116 N 1.26 2.56 -0.24 -1.08 2.13 -0.59 -1.20 120.64 123.48 3cui n GLU 116 Ca 0.20 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.93 3cui n GLU 116 Cb 0.53 -2.69 0.00 0.00 0.27 0.00 0.00 31.44 29.54 3cui n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3cui n GLY 117 N 2.72 2.00 0.56 8.31 0.00 -1.26 -4.80 105.19 112.72 3cui n GLY 117 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 3cui n GLY 117 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cui n LYS 118 N -2.00 0.28 -2.22 1.61 5.02 -0.34 -4.96 118.16 115.55 3cui n LYS 118 Ca 0.00 0.11 -0.42 0.00 -2.02 0.00 0.00 58.31 55.98 3cui n LYS 118 Cb 0.00 -0.98 -0.03 0.00 -0.02 0.00 0.00 35.03 34.00 3cui n LYS 118 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3cui s VAL 119 N -2.39 3.80 -0.06 -0.18 1.01 -0.64 -4.49 120.40 117.44 3cui s VAL 119 Ca -0.16 1.10 0.13 0.00 0.00 0.00 0.00 61.98 63.05 3cui s VAL 119 Cb 0.04 -3.71 -0.14 0.00 0.00 0.00 0.00 36.38 32.57 3cui s VAL 119 CO 0.23 -0.04 0.99 0.00 0.00 0.00 0.00 175.10 176.27 3cui h ALA 120 N 8.29 0.63 -3.01 5.51 0.00 -1.55 -3.46 119.26 125.66 3cui h ALA 120 Ca -0.36 -0.96 -0.16 0.00 0.00 0.00 0.00 54.91 53.44 3cui h ALA 120 Cb 1.16 0.18 -0.24 0.00 0.00 0.00 0.00 17.79 18.89 3cui h ALA 120 CO 0.93 1.11 -0.43 -1.12 0.00 0.00 0.00 179.25 179.74 3cui s SER 121 N -6.18 -0.19 -0.03 0.00 0.01 -1.25 -1.22 113.70 104.84 3cui s SER 121 Ca -0.01 0.31 0.07 0.00 1.31 0.00 0.00 55.95 57.63 3cui s SER 121 Cb 0.09 0.41 -0.02 0.00 0.21 0.00 0.00 66.02 66.71 3cui s SER 121 CO 0.80 -0.18 -0.25 0.26 0.41 0.00 0.00 173.24 174.28 3cui s TRP 122 N -0.32 2.35 -0.88 2.43 0.52 0.28 0.31 118.94 123.64 3cui s TRP 122 Ca -0.04 -0.55 -0.25 0.00 0.02 0.00 0.00 56.10 55.28 3cui s TRP 122 Cb -0.03 -1.53 -0.00 0.00 -1.15 0.00 0.00 33.47 30.76 3cui s TRP 122 CO 0.01 -0.11 1.70 -0.51 0.02 0.00 0.00 176.95 178.06 3cui s ASP 123 N -0.43 5.70 0.04 2.95 1.01 0.67 -0.01 116.67 126.60 3cui s ASP 123 Ca 0.05 -0.74 -0.20 0.00 0.71 0.00 0.00 52.55 52.37 3cui s ASP 123 Cb -0.11 -2.56 -0.14 0.00 1.01 0.00 0.00 42.92 41.11 3cui s ASP 123 CO 0.01 -2.20 1.34 0.58 0.21 0.00 0.00 175.17 175.11 3cui h VAL 124 N 6.92 1.35 -3.86 -1.27 2.07 -1.25 -1.24 116.25 118.98 3cui h VAL 124 Ca 0.03 -1.36 -0.57 0.00 0.82 0.00 0.00 66.70 65.62 3cui h VAL 124 Cb 1.04 1.89 -0.31 0.00 -1.52 0.00 0.00 31.29 32.38 3cui h VAL 124 CO 1.29 0.40 -0.84 -0.69 0.02 0.00 0.00 177.57 177.75 3cui s VAL 125 N -4.24 1.49 -0.08 2.57 1.01 -1.23 -1.02 120.40 118.89 3cui s VAL 125 Ca -0.14 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.14 3cui s VAL 125 Cb 0.05 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.15 3cui s VAL 125 CO 0.76 0.43 -0.22 0.21 0.00 0.00 0.00 175.10 176.28 3cui s ASN 126 N 0.07 2.81 -1.22 3.32 2.47 -0.34 -1.65 114.94 120.40 3cui s ASN 126 Ca -0.05 -0.50 -0.03 0.00 0.42 0.00 0.00 52.86 52.70 3cui s ASN 126 Cb -0.12 -1.17 0.00 0.00 -1.45 0.00 0.00 41.25 38.51 3cui s ASN 126 CO 0.03 0.15 1.04 -0.62 -3.72 0.00 0.00 177.10 173.98 3cui n GLU 127 N 3.45 -6.94 0.21 0.43 1.02 -0.15 -4.51 120.64 114.15 3cui n GLU 127 Ca -0.19 0.81 0.13 0.00 -0.02 0.00 0.00 57.16 57.89 3cui n GLU 127 Cb 0.53 -5.77 0.33 0.00 -0.02 0.00 0.00 31.44 26.51 3cui n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cui h ALA 128 N 0.92 1.00 -1.59 0.62 0.00 -1.89 -3.45 119.26 114.86 3cui h ALA 128 Ca -0.56 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 53.85 3cui h ALA 128 Cb 1.34 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 3cui h ALA 128 CO 0.51 0.00 -0.40 -0.06 0.00 0.00 0.00 179.25 179.30 3cui s PHE 129 N -3.30 2.74 -0.04 0.00 0.08 -1.26 -0.94 117.98 115.26 3cui s PHE 129 Ca 0.06 -0.46 0.03 0.00 0.12 0.00 0.00 56.93 56.68 3cui s PHE 129 Cb 0.07 -2.08 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 3cui s PHE 129 CO 0.62 -0.04 -0.11 0.00 -0.10 0.00 0.00 175.22 175.59 3cui s ALA 130 N -2.45 2.80 0.18 5.36 0.00 -0.09 -3.91 121.76 123.65 3cui s ALA 130 Ca 0.46 -0.98 -0.33 0.00 0.00 0.00 0.00 51.96 51.11 3cui s ALA 130 Cb -0.03 -1.05 -0.14 0.00 0.00 0.00 0.00 23.12 21.90 3cui s ALA 130 CO 0.27 0.57 1.56 -0.25 0.00 0.00 0.00 175.76 177.91 3cui n ASP 131 N 2.11 3.07 0.00 0.00 8.00 -1.26 -0.89 116.55 127.58 3cui n ASP 131 Ca -0.17 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.42 3cui n ASP 131 Cb 0.52 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 3cui n ASP 131 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cui n GLY 132 N 3.22 0.69 0.00 0.44 0.00 -1.26 -4.95 105.19 103.32 3cui n GLY 132 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3cui n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cui n GLY 133 N -2.00 2.48 5.70 -0.02 0.00 -0.07 -4.71 105.19 106.58 3cui n GLY 133 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.16 3cui n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cui n GLY 134 N 1.27 -2.08 3.85 -0.02 0.00 -1.26 -4.43 105.19 102.51 3cui n GLY 134 Ca 0.00 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 3cui n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cui s ARG 135 N -0.06 4.01 0.31 1.61 1.81 -1.26 -0.92 118.95 124.45 3cui s ARG 135 Ca 0.00 0.67 -0.28 0.00 -1.72 0.00 0.00 55.73 54.40 3cui s ARG 135 Cb 0.00 -2.47 -0.13 0.00 -0.45 0.00 0.00 34.95 31.90 3cui s ARG 135 CO 0.00 0.18 1.10 -2.13 -0.68 0.00 0.00 175.30 173.77 3cui n ARG 136 N -0.29 1.61 0.00 3.54 0.63 -0.12 -4.28 116.66 117.75 3cui n ARG 136 Ca 0.03 0.56 0.10 0.00 -0.92 0.00 0.00 57.85 57.62 3cui n ARG 136 Cb 0.53 -2.00 0.00 0.00 0.45 0.00 0.00 32.46 31.44 3cui n ARG 136 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3cui n GLN 137 N 0.66 1.45 -2.28 -0.14 1.13 -1.26 -4.42 117.38 112.52 3cui n GLN 137 Ca 0.08 -1.01 -0.17 0.00 -1.94 0.00 0.00 57.00 53.96 3cui n GLN 137 Cb 0.33 -1.40 0.03 0.00 0.11 0.00 0.00 30.24 29.31 3cui n GLN 137 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3cui n ASP 138 N 0.06 3.91 -4.36 1.08 5.75 -1.26 -5.03 116.55 116.69 3cui n ASP 138 Ca 0.09 -3.24 -0.33 0.00 -0.01 0.00 0.00 54.79 51.29 3cui n ASP 138 Cb 0.43 -0.39 -0.14 0.00 -1.03 0.00 0.00 41.12 39.99 3cui n ASP 138 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3cui s SER 139 N -3.65 4.12 0.41 -1.12 0.15 -1.26 -4.98 113.70 107.37 3cui s SER 139 Ca 0.44 -0.33 0.08 0.00 0.70 0.00 0.00 55.95 56.84 3cui s SER 139 Cb 0.38 -1.65 0.88 0.00 -1.71 0.00 0.00 66.02 63.92 3cui s SER 139 CO 0.01 0.12 2.03 0.00 1.20 0.00 0.00 173.24 176.61 3cui h ALA 140 N 7.02 1.77 -0.14 5.45 0.00 -1.96 -0.08 119.26 131.31 3cui h ALA 140 Ca -0.30 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 3cui h ALA 140 Cb 1.20 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3cui h ALA 140 CO 0.58 0.18 -0.11 0.74 0.00 0.00 0.00 179.25 180.64 3cui h PHE 141 N 0.56 0.37 -0.50 0.00 0.04 -1.95 -0.66 116.94 114.80 3cui h PHE 141 Ca 0.20 -0.11 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 3cui h PHE 141 Cb 0.09 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 3cui h PHE 141 CO -0.00 0.69 0.17 0.37 -0.60 0.00 0.00 178.31 178.94 3cui h GLN 142 N -0.05 0.77 -0.18 1.51 5.75 -1.75 -0.40 115.11 120.75 3cui h GLN 142 Ca 0.03 -0.16 -0.14 0.00 -0.15 0.00 0.00 58.65 58.22 3cui h GLN 142 Cb 0.62 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.04 3cui h GLN 142 CO 0.03 0.71 -0.49 1.96 -2.65 0.00 0.00 178.83 178.38 3cui h GLN 143 N 0.67 0.50 0.00 1.69 4.20 -0.99 -0.09 115.11 121.10 3cui h GLN 143 Ca 0.16 -0.29 -0.23 0.00 0.06 0.00 0.00 58.65 58.35 3cui h GLN 143 Cb 0.25 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 3cui h GLN 143 CO -0.01 0.88 -1.79 1.63 -0.67 0.00 0.00 178.83 178.87 3cui n LYS 144 N -3.98 0.64 -0.00 1.46 5.02 -0.26 -4.61 118.16 116.43 3cui n LYS 144 Ca -0.02 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3cui n LYS 144 Cb 0.56 -1.70 -0.00 0.00 -0.02 0.00 0.00 35.03 33.87 3cui n LYS 144 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3cui n LEU 145 N -2.83 0.00 0.00 -0.35 4.77 -0.17 -4.53 117.00 113.90 3cui n LEU 145 Ca -0.17 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 3cui n LEU 145 Cb 0.94 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 3cui n LEU 145 CO 0.44 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3cui n GLY 146 N 2.40 -1.07 0.36 -0.72 0.00 -0.05 -4.30 105.19 101.82 3cui n GLY 146 Ca -0.00 -1.19 0.10 0.00 0.00 0.00 0.00 46.02 44.94 3cui n GLY 146 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3cui h ASN 147 N 0.00 0.55 0.37 1.61 2.35 -1.92 -2.87 115.58 115.67 3cui h ASN 147 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3cui h ASN 147 Cb 0.00 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.27 3cui h ASN 147 CO 0.00 0.32 0.00 0.61 -1.65 0.00 0.00 177.43 176.71 3cui n GLY 148 N -1.47 -0.86 0.21 2.83 0.00 -1.26 -3.70 105.19 100.93 3cui n GLY 148 Ca 0.12 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.10 3cui n GLY 148 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3cui h TYR 149 N 0.00 0.16 0.13 1.61 -0.00 -1.73 -2.09 116.97 115.04 3cui h TYR 149 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 58.73 58.70 3cui h TYR 149 Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 36.73 36.87 3cui h TYR 149 CO 0.00 0.41 -0.06 0.82 -0.00 0.00 0.00 178.16 179.33 3cui h ILE 150 N 0.13 0.98 -0.88 -0.90 2.04 -1.84 -0.25 117.51 116.79 3cui h ILE 150 Ca 0.02 -0.47 0.03 0.00 1.00 0.00 0.00 64.86 65.45 3cui h ILE 150 Cb 0.56 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 3cui h ILE 150 CO 0.04 0.11 0.57 -0.08 0.00 0.00 0.00 178.15 178.79 3cui h GLU 151 N -0.40 1.08 -0.42 2.37 4.81 -1.78 -1.30 114.58 118.94 3cui h GLU 151 Ca -0.02 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.19 3cui h GLU 151 Cb 0.32 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 3cui h GLU 151 CO 0.03 0.72 0.17 1.15 -0.73 0.00 0.00 179.01 180.35 3cui h THR 152 N 1.12 0.90 -0.38 0.32 2.02 -1.12 -0.61 112.91 115.16 3cui h THR 152 Ca 0.35 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 3cui h THR 152 Cb -0.00 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 3cui h THR 152 CO -0.11 0.06 0.14 0.00 0.37 0.00 0.00 175.52 175.98 3cui h ALA 153 N 1.26 0.49 -0.43 6.16 0.00 -0.46 -0.68 119.26 125.61 3cui h ALA 153 Ca 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3cui h ALA 153 Cb 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3cui h ALA 153 CO -0.18 0.11 0.21 0.74 0.00 0.00 0.00 179.25 180.13 3cui h PHE 154 N 0.47 0.61 -0.80 0.00 -1.00 -1.01 -0.37 116.94 114.84 3cui h PHE 154 Ca 0.13 -0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.83 3cui h PHE 154 Cb 0.21 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 39.54 3cui h PHE 154 CO 0.00 0.50 0.32 0.00 -1.61 0.00 0.00 178.31 177.52 3cui h ARG 155 N 0.55 1.19 -0.45 1.51 3.08 -0.99 -1.39 114.38 117.88 3cui h ARG 155 Ca 0.15 -0.21 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 3cui h ARG 155 Cb 0.11 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3cui h ARG 155 CO -0.02 0.96 -0.09 0.00 -1.07 0.00 0.00 179.97 179.75 3cui h ALA 156 N 1.17 1.00 -0.55 0.04 0.00 -0.90 -0.61 119.26 119.41 3cui h ALA 156 Ca 0.27 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3cui h ALA 156 Cb 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3cui h ALA 156 CO -0.02 0.60 0.10 0.00 0.00 0.00 0.00 179.25 179.93 3cui h ALA 157 N 1.17 0.72 -0.28 0.00 0.00 -0.72 -2.00 119.26 118.15 3cui h ALA 157 Ca 0.13 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 3cui h ALA 157 Cb 0.57 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3cui h ALA 157 CO 0.03 0.46 -0.30 -0.09 0.00 0.00 0.00 179.25 179.35 3cui h ARG 158 N 0.79 0.58 -0.55 0.00 9.65 -1.08 0.36 114.38 124.13 3cui h ARG 158 Ca 0.17 -0.25 -0.03 0.00 -1.10 0.00 0.00 59.98 58.77 3cui h ARG 158 Cb 0.39 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.93 3cui h ARG 158 CO 0.01 0.82 0.23 0.00 2.80 0.00 0.00 179.97 183.83 3cui h ALA 159 N 1.17 1.37 0.11 2.80 0.00 -0.87 -3.04 119.26 120.80 3cui h ALA 159 Ca 0.06 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 3cui h ALA 159 Cb 0.77 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.36 3cui h ALA 159 CO 0.06 0.48 -0.85 0.00 0.00 0.00 0.00 179.25 178.95 3cui h ALA 160 N 1.47 -0.05 -3.26 0.00 0.00 -1.08 -3.42 119.26 112.91 3cui h ALA 160 Ca 0.19 -0.68 -0.62 0.00 0.00 0.00 0.00 54.91 53.80 3cui h ALA 160 Cb 0.14 0.09 -0.40 0.00 0.00 0.00 0.00 17.79 17.62 3cui h ALA 160 CO -0.02 0.42 -0.73 0.34 0.00 0.00 0.00 179.25 179.27 3cui s ASP 161 N -7.00 4.13 0.63 0.00 -1.08 0.09 -4.73 116.67 108.70 3cui s ASP 161 Ca -0.13 -2.24 0.40 0.00 -0.52 0.00 0.00 52.55 50.06 3cui s ASP 161 Cb 0.02 -1.20 2.13 0.00 -1.46 0.00 0.00 42.92 42.41 3cui s ASP 161 CO 0.85 -0.34 2.28 -0.65 0.52 0.00 0.00 175.17 177.83 3cui h PRO 162 N 7.35 0.00 0.00 4.34 0.11 -1.80 -3.30 132.00 138.70 3cui h PRO 162 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3cui h PRO 162 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3cui h PRO 162 CO 0.51 0.01 -0.91 0.25 -0.21 0.00 0.00 178.00 177.65 3cui n THR 163 N -3.20 0.00 -1.76 -1.15 -2.24 -1.26 -5.04 114.28 99.63 3cui n THR 163 Ca -0.02 -0.17 -0.38 0.00 -2.27 0.00 0.00 64.05 61.20 3cui n THR 163 Cb 0.13 0.57 0.05 0.00 -2.10 0.00 0.00 70.33 68.97 3cui n THR 163 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cui s ALA 164 N -2.03 2.73 -0.03 6.98 0.00 -1.24 -4.93 121.76 123.24 3cui s ALA 164 Ca -0.01 1.33 -0.30 0.00 0.00 0.00 0.00 51.96 52.98 3cui s ALA 164 Cb 0.03 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3cui s ALA 164 CO 0.16 -1.44 1.30 0.15 0.00 0.00 0.00 175.76 175.92 3cui s LYS 165 N -3.01 4.32 -0.32 0.00 -0.14 -0.36 -4.93 119.74 115.31 3cui s LYS 165 Ca 0.74 1.82 -0.09 0.00 -1.36 0.00 0.00 55.97 57.07 3cui s LYS 165 Cb -0.40 -3.56 -0.00 0.00 -1.68 0.00 0.00 37.83 32.18 3cui s LYS 165 CO 0.47 -0.51 0.15 -0.51 -0.76 0.00 0.00 175.35 174.18 3cui s LEU 166 N 2.29 4.14 0.12 3.17 1.43 -1.26 -0.56 118.68 128.01 3cui s LEU 166 Ca 0.60 -0.60 0.07 0.00 -1.03 0.00 0.00 54.13 53.16 3cui s LEU 166 Cb -0.28 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 3cui s LEU 166 CO 0.24 -0.21 -0.05 0.00 0.23 0.00 0.00 176.35 176.56 3cui s ILE 168 N -1.38 4.06 0.02 0.00 2.07 -0.87 -0.74 121.20 124.37 3cui s ILE 168 Ca 0.24 -0.34 0.06 0.00 -1.41 0.00 0.00 60.65 59.20 3cui s ILE 168 Cb -0.11 -2.70 -0.02 0.00 0.13 0.00 0.00 42.46 39.76 3cui s ILE 168 CO 0.16 0.59 -0.17 0.21 -1.91 0.00 0.00 174.94 173.82 3cui s ASN 169 N -0.70 1.97 0.27 4.50 2.47 -0.66 -0.46 114.94 122.34 3cui s ASN 169 Ca 0.11 -0.42 -0.20 0.00 0.42 0.00 0.00 52.86 52.77 3cui s ASN 169 Cb -0.12 -0.17 0.02 0.00 -1.45 0.00 0.00 41.25 39.53 3cui s ASN 169 CO 0.02 0.13 0.68 -0.62 -3.72 0.00 0.00 177.10 173.58 3cui s ASP 170 N -0.89 -0.23 0.37 -4.21 -1.08 -0.70 -0.97 116.67 108.96 3cui s ASP 170 Ca 0.05 -0.67 0.08 0.00 -0.52 0.00 0.00 52.55 51.50 3cui s ASP 170 Cb -0.08 0.70 -0.07 0.00 -1.46 0.00 0.00 42.92 42.02 3cui s ASP 170 CO 0.01 -1.31 -0.05 -0.72 0.52 0.00 0.00 175.17 173.62 3cui s TYR 171 N -3.94 2.45 -1.36 -5.34 1.13 -1.26 -0.82 117.35 108.22 3cui s TYR 171 Ca 0.13 -0.57 0.00 0.00 -1.41 0.00 0.00 57.07 55.22 3cui s TYR 171 Cb -0.05 -1.55 0.00 0.00 -1.10 0.00 0.00 41.96 39.26 3cui s TYR 171 CO 0.07 0.53 0.00 0.09 -2.51 0.00 0.00 175.55 173.73 3cui n ASN 172 N -0.87 -4.65 -0.06 -0.18 3.02 -1.26 -4.84 115.26 106.42 3cui n ASN 172 Ca -0.05 0.13 0.06 0.00 -0.03 0.00 0.00 54.58 54.69 3cui n ASN 172 Cb 0.65 -3.93 0.09 0.00 -0.61 0.00 0.00 39.78 35.98 3cui n ASN 172 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3cui n VAL 173 N -3.53 1.52 0.06 2.41 0.24 -1.26 -4.55 118.33 113.22 3cui n VAL 173 Ca -0.18 -1.77 -0.16 0.00 -2.04 0.00 0.00 64.34 60.18 3cui n VAL 173 Cb 0.63 0.03 -0.07 0.00 -1.47 0.00 0.00 33.84 32.96 3cui n VAL 173 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3cui h GLU 174 N 0.00 0.52 -7.18 7.34 3.07 -1.92 -3.45 114.58 112.97 3cui h GLU 174 Ca 0.00 -0.58 -0.45 0.00 -0.50 0.00 0.00 59.36 57.83 3cui h GLU 174 Cb 0.86 0.17 0.07 0.00 -0.84 0.00 0.00 28.75 29.01 3cui h GLU 174 CO 0.00 1.20 0.16 0.20 -1.40 0.00 0.00 179.01 179.17 3cui s GLY 175 N -4.38 1.73 -0.45 -3.84 0.00 -1.26 -4.23 107.32 94.89 3cui s GLY 175 Ca -0.07 -1.08 -0.25 0.00 0.00 0.00 0.00 44.72 43.31 3cui s GLY 175 CO 0.89 -0.69 0.91 -0.42 0.00 0.00 0.00 173.10 173.79 3cui s ILE 176 N -3.13 4.50 0.34 0.90 1.01 -1.26 -4.63 121.20 118.93 3cui s ILE 176 Ca 0.60 0.77 -0.06 0.00 0.00 0.00 0.00 60.65 61.96 3cui s ILE 176 Cb -0.10 -4.42 0.03 0.00 0.01 0.00 0.00 42.46 37.98 3cui s ILE 176 CO 0.43 -0.79 0.55 -0.46 0.00 0.00 0.00 174.94 174.67 3cui n ASN 177 N 7.09 -1.58 -0.26 3.58 0.23 -1.26 -5.02 115.26 118.04 3cui n ASN 177 Ca 0.06 -2.65 0.01 0.00 -0.53 0.00 0.00 54.58 51.47 3cui n ASN 177 Cb 0.48 2.79 0.22 0.00 -2.08 0.00 0.00 39.78 41.20 3cui n ASN 177 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3cui h ALA 178 N 2.00 1.44 0.08 -2.53 0.00 -1.93 0.10 119.26 118.42 3cui h ALA 178 Ca -0.27 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3cui h ALA 178 Cb 1.12 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3cui h ALA 178 CO 0.36 0.51 -0.04 -0.22 0.00 0.00 0.00 179.25 179.86 3cui h LYS 179 N 1.09 -0.11 0.00 0.00 3.64 -1.84 -1.52 116.57 117.83 3cui h LYS 179 Ca 0.31 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.64 3cui h LYS 179 Cb -0.07 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3cui h LYS 179 CO -0.08 0.22 -0.28 0.66 -2.27 0.00 0.00 179.45 177.70 3cui h SER 180 N -0.44 0.00 -0.66 4.20 4.64 -1.73 -1.85 113.55 117.71 3cui h SER 180 Ca -0.01 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 3cui h SER 180 Cb 0.37 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 3cui h SER 180 CO 0.02 0.28 0.11 0.78 -0.87 0.00 0.00 176.83 177.14 3cui h ASN 181 N 0.00 1.05 -0.47 4.97 2.35 -0.68 0.16 115.58 122.96 3cui h ASN 181 Ca -0.00 -0.25 -0.03 0.00 -0.55 0.00 0.00 56.30 55.47 3cui h ASN 181 Cb 0.52 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 3cui h ASN 181 CO 0.04 1.04 0.17 0.28 -1.65 0.00 0.00 177.43 177.30 3cui h SER 182 N 1.02 0.67 -0.41 5.81 0.02 -0.77 -0.82 113.55 119.07 3cui h SER 182 Ca 0.20 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3cui h SER 182 Cb 0.44 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3cui h SER 182 CO 0.01 0.67 0.23 0.25 -1.14 0.00 0.00 176.83 176.86 3cui h LEU 183 N 0.62 0.51 -0.52 5.07 5.85 -1.17 -2.37 115.31 123.32 3cui h LEU 183 Ca 0.15 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.84 3cui h LEU 183 Cb 0.23 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 3cui h LEU 183 CO -0.01 0.45 0.25 0.22 -0.34 0.00 0.00 178.44 179.01 3cui h TYR 184 N 0.54 0.46 -0.67 1.25 5.03 -0.51 -1.06 116.97 122.00 3cui h TYR 184 Ca 0.15 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.53 3cui h TYR 184 Cb 0.05 -0.13 -0.05 0.00 1.55 0.00 0.00 36.73 38.14 3cui h TYR 184 CO -0.03 0.21 0.38 -0.44 -1.32 0.00 0.00 178.16 176.97 3cui h ASP 185 N 0.48 0.58 -0.28 -2.11 3.32 -0.87 -0.62 116.42 116.93 3cui h ASP 185 Ca 0.23 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 3cui h ASP 185 Cb 0.16 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3cui h ASP 185 CO -0.17 0.38 -0.01 0.25 -1.72 0.00 0.00 179.24 177.97 3cui h LEU 186 N 0.72 0.49 -0.46 1.55 6.46 -0.92 -0.91 115.31 122.23 3cui h LEU 186 Ca 0.30 -0.31 0.02 0.00 -0.12 0.00 0.00 57.88 57.76 3cui h LEU 186 Cb 0.16 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 39.93 3cui h LEU 186 CO -0.17 0.68 0.27 0.58 -0.62 0.00 0.00 178.44 179.19 3cui h VAL 187 N 0.28 1.04 -0.66 1.05 2.07 -0.88 0.86 116.25 120.01 3cui h VAL 187 Ca 0.08 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3cui h VAL 187 Cb 0.44 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3cui h VAL 187 CO 0.02 0.10 0.35 0.50 0.02 0.00 0.00 177.57 178.56 3cui h LYS 188 N 0.55 0.93 -0.23 1.57 3.64 -1.03 -1.41 116.57 120.57 3cui h LYS 188 Ca 0.19 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3cui h LYS 188 Cb 0.02 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3cui h LYS 188 CO -0.09 0.71 0.13 0.22 -2.27 0.00 0.00 179.45 178.15 3cui h ASP 189 N 0.90 0.29 -0.38 4.20 3.58 -0.69 -1.18 116.42 123.15 3cui h ASP 189 Ca 0.23 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.59 3cui h ASP 189 Cb 0.06 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 3cui h ASP 189 CO -0.04 0.30 0.23 -0.26 -2.88 0.00 0.00 179.24 176.60 3cui h PHE 190 N 0.27 0.49 -0.68 0.28 -1.00 -0.59 -1.28 116.94 114.42 3cui h PHE 190 Ca 0.08 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.81 3cui h PHE 190 Cb 0.07 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 39.44 3cui h PHE 190 CO -0.03 0.34 0.22 0.87 -1.61 0.00 0.00 178.31 178.09 3cui h LYS 191 N 0.50 1.06 -0.95 1.51 1.79 -1.19 0.16 116.57 119.44 3cui h LYS 191 Ca 0.14 -0.23 0.03 0.00 -2.18 0.00 0.00 60.65 58.41 3cui h LYS 191 Cb -0.01 -0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 30.43 3cui h LYS 191 CO -0.03 0.91 0.62 0.00 -1.08 0.00 0.00 179.45 179.88 3cui h ALA 192 N 1.10 1.24 -0.02 3.86 0.00 -0.82 -2.79 119.26 121.82 3cui h ALA 192 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3cui h ALA 192 Cb 0.29 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3cui h ALA 192 CO -0.01 0.52 -0.06 0.54 0.00 0.00 0.00 179.25 180.24 3cui n ARG 193 N -4.47 1.74 -1.68 0.00 1.74 -0.52 -4.95 116.66 108.52 3cui n ARG 193 Ca 0.12 -1.21 -0.06 0.00 -0.77 0.00 0.00 57.85 55.93 3cui n ARG 193 Cb 0.07 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.02 3cui n ARG 193 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cui n GLY 194 N 1.27 0.46 3.72 -0.13 0.00 -0.34 -5.01 105.19 105.16 3cui n GLY 194 Ca 0.16 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 3cui n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cui s VAL 195 N -2.27 3.40 0.11 1.61 1.01 -0.10 -4.94 120.40 119.21 3cui s VAL 195 Ca 0.00 1.05 -0.33 0.00 0.00 0.00 0.00 61.98 62.71 3cui s VAL 195 Cb 0.00 -3.67 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 3cui s VAL 195 CO 0.00 0.11 1.75 -2.65 0.00 0.00 0.00 175.10 174.31 3cui n PRO 196 N 3.49 2.46 -3.39 2.72 -0.02 -1.26 -4.53 135.00 134.47 3cui n PRO 196 Ca 0.09 0.89 0.02 0.00 -2.02 0.00 0.00 63.50 62.48 3cui n PRO 196 Cb 0.43 -2.73 -0.05 0.00 -0.02 0.00 0.00 33.50 31.13 3cui n PRO 196 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3cui s LEU 197 N 2.20 -0.35 -0.00 2.45 2.96 -1.26 -4.75 118.68 119.93 3cui s LEU 197 Ca 0.82 0.49 0.00 0.00 -0.22 0.00 0.00 54.13 55.23 3cui s LEU 197 Cb -0.59 1.42 -0.01 0.00 0.50 0.00 0.00 46.19 47.51 3cui s LEU 197 CO 0.40 -0.07 0.01 0.47 -1.32 0.00 0.00 176.35 175.84 3cui n ASP 198 N 4.44 2.41 -3.48 3.68 8.00 0.71 -4.94 116.55 127.38 3cui n ASP 198 Ca -0.10 -0.26 -0.14 0.00 0.71 0.00 0.00 54.79 55.00 3cui n ASP 198 Cb 0.55 1.01 -0.04 0.00 -0.02 0.00 0.00 41.12 42.62 3cui n ASP 198 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cui s VAL 200 N -2.95 1.03 -0.12 0.00 1.01 -0.37 -2.05 120.40 116.96 3cui s VAL 200 Ca -0.03 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 3cui s VAL 200 Cb -0.01 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 3cui s VAL 200 CO -0.06 0.33 0.05 -0.83 0.00 0.00 0.00 175.10 174.60 3cui s GLY 201 N 0.67 1.95 -0.33 4.51 0.00 0.39 -1.66 107.32 112.84 3cui s GLY 201 Ca -0.14 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 43.85 3cui s GLY 201 CO 0.03 -0.37 0.04 -1.36 0.00 0.00 0.00 173.10 171.44 3cui s PHE 202 N -0.62 3.54 0.22 1.90 0.40 -0.12 -1.72 117.98 121.59 3cui s PHE 202 Ca 0.11 -2.55 -0.09 0.00 -0.60 0.00 0.00 56.93 53.80 3cui s PHE 202 Cb -0.12 -2.65 0.23 0.00 0.51 0.00 0.00 43.02 40.99 3cui s PHE 202 CO 0.02 -0.92 1.86 1.96 0.70 0.00 0.00 175.22 178.85 3cui h GLN 203 N 7.80 0.92 -5.30 0.44 4.20 -1.28 -1.64 115.11 120.25 3cui h GLN 203 Ca -0.12 -0.06 -0.31 0.00 0.06 0.00 0.00 58.65 58.22 3cui h GLN 203 Cb 1.04 -0.21 0.15 0.00 0.30 0.00 0.00 27.48 28.76 3cui h GLN 203 CO 0.55 0.61 -0.67 0.43 -0.67 0.00 0.00 178.83 179.08 3cui n SER 204 N -4.62 -3.13 -4.53 1.46 7.64 -1.26 -1.11 113.62 108.06 3cui n SER 204 Ca 0.09 -0.54 -0.42 0.00 1.01 0.00 0.00 58.87 59.02 3cui n SER 204 Cb 0.09 -4.64 -0.03 0.00 -1.01 0.00 0.00 64.21 58.63 3cui n SER 204 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3cui s HIS 205 N -3.31 2.56 0.35 1.43 3.76 -1.26 -2.50 115.29 116.32 3cui s HIS 205 Ca 0.15 -0.63 0.08 0.00 -0.15 0.00 0.00 55.06 54.51 3cui s HIS 205 Cb -0.07 -4.56 -0.03 0.00 1.11 0.00 0.00 32.58 29.03 3cui s HIS 205 CO 0.66 -1.88 0.24 -0.51 -0.85 0.00 0.00 174.74 172.39 3cui s LEU 206 N 4.76 3.40 -0.08 0.89 1.43 -0.29 -4.91 118.68 123.89 3cui s LEU 206 Ca 0.37 -0.68 -0.00 0.00 -1.03 0.00 0.00 54.13 52.79 3cui s LEU 206 Cb -0.06 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 3cui s LEU 206 CO 0.01 -0.38 -0.04 -0.63 0.23 0.00 0.00 176.35 175.54 3cui s ILE 207 N -2.40 3.98 0.14 -0.59 1.01 -1.26 -1.24 121.20 120.84 3cui s ILE 207 Ca 0.41 -0.38 -0.34 0.00 0.00 0.00 0.00 60.65 60.34 3cui s ILE 207 Cb -0.03 -2.65 -0.15 0.00 0.01 0.00 0.00 42.46 39.64 3cui s ILE 207 CO 0.25 0.60 1.45 0.52 0.00 0.00 0.00 174.94 177.76 3cui n VAL 208 N 2.18 0.15 -0.96 2.92 0.31 0.19 -0.96 118.33 122.15 3cui n VAL 208 Ca -0.18 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3cui n VAL 208 Cb 0.53 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 3cui n VAL 208 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cui n GLY 209 N 2.89 0.54 2.53 2.92 0.00 -1.26 -4.96 105.19 107.85 3cui n GLY 209 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 3cui n GLY 209 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3cui n GLN 210 N -2.91 1.86 -3.07 1.61 6.02 -0.13 -5.06 117.38 115.69 3cui n GLN 210 Ca 0.00 -3.80 -0.40 0.00 -0.01 0.00 0.00 57.00 52.79 3cui n GLN 210 Cb 0.00 -1.74 -0.05 0.00 1.02 0.00 0.00 30.24 29.47 3cui n GLN 210 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3cui s VAL 211 N -3.57 5.01 0.19 5.09 1.01 -1.26 -4.53 120.40 122.33 3cui s VAL 211 Ca 0.39 1.32 -0.33 0.00 0.00 0.00 0.00 61.98 63.36 3cui s VAL 211 Cb 0.38 -4.00 -0.13 0.00 0.00 0.00 0.00 36.38 32.63 3cui s VAL 211 CO -0.07 0.14 1.59 -2.65 0.00 0.00 0.00 175.10 174.12 3cui n PRO 212 N 4.67 2.32 0.25 2.72 -0.02 -1.26 -4.85 135.00 138.83 3cui n PRO 212 Ca -0.01 0.84 0.16 0.00 -2.02 0.00 0.00 63.50 62.47 3cui n PRO 212 Cb 0.50 -2.61 0.54 0.00 -0.02 0.00 0.00 33.50 31.91 3cui n PRO 212 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3cui h GLY 213 N 5.83 0.00 -3.11 -1.23 0.00 -1.96 -2.91 103.07 99.70 3cui h GLY 213 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3cui h GLY 213 CO 0.88 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.51 3cui n ASP 214 N -2.99 4.89 0.00 0.19 5.75 -1.26 -4.60 116.55 118.53 3cui n ASP 214 Ca 0.02 -2.65 -0.11 0.00 -0.01 0.00 0.00 54.79 52.04 3cui n ASP 214 Cb 0.35 -0.62 -0.05 0.00 -1.03 0.00 0.00 41.12 39.77 3cui n ASP 214 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3cui h PHE 215 N 3.66 0.05 -0.23 2.11 3.04 -1.68 -0.58 116.94 123.31 3cui h PHE 215 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 3cui h PHE 215 Cb 1.62 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 40.11 3cui h PHE 215 CO 0.87 0.03 0.14 -0.09 -2.02 0.00 0.00 178.31 177.24 3cui h ARG 216 N 0.07 0.31 -0.82 1.11 2.43 -1.85 0.74 114.38 116.37 3cui h ARG 216 Ca 0.04 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 3cui h ARG 216 Cb 0.02 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.44 3cui h ARG 216 CO -0.04 0.23 0.48 0.37 -1.51 0.00 0.00 179.97 179.50 3cui h GLN 217 N 0.29 0.83 -0.07 0.20 4.15 -1.82 0.53 115.11 119.21 3cui h GLN 217 Ca 0.08 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 3cui h GLN 217 Cb -0.00 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.50 3cui h GLN 217 CO -0.02 0.55 0.00 -0.97 -1.93 0.00 0.00 178.83 176.47 3cui h ASN 218 N 0.85 0.12 -0.83 -0.69 -1.24 -0.67 -1.58 115.58 111.55 3cui h ASN 218 Ca 0.37 -0.30 0.11 0.00 0.71 0.00 0.00 56.30 57.20 3cui h ASN 218 Cb 0.25 -0.03 -0.08 0.00 0.73 0.00 0.00 38.32 39.19 3cui h ASN 218 CO -0.20 0.39 0.45 -0.07 -1.29 0.00 0.00 177.43 176.70 3cui h LEU 219 N -0.15 0.61 -0.59 0.34 3.38 -0.48 -2.60 115.31 115.82 3cui h LEU 219 Ca 0.02 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 3cui h LEU 219 Cb 0.32 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3cui h LEU 219 CO 0.00 0.32 -0.05 -0.61 0.09 0.00 0.00 178.44 178.19 3cui h GLN 220 N 0.72 1.07 -0.24 1.13 5.75 -0.69 -0.87 115.11 121.98 3cui h GLN 220 Ca 0.42 -0.36 -0.07 0.00 -0.15 0.00 0.00 58.65 58.48 3cui h GLN 220 Cb 0.47 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 3cui h GLN 220 CO -0.29 1.07 -0.16 0.07 -2.65 0.00 0.00 178.83 176.87 3cui h ARG 221 N 0.96 0.41 -0.07 1.69 0.11 -0.95 0.39 114.38 116.92 3cui h ARG 221 Ca 0.16 -0.12 -0.02 0.00 0.10 0.00 0.00 59.98 60.10 3cui h ARG 221 Cb 0.62 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.65 3cui h ARG 221 CO 0.04 0.56 -0.04 0.74 0.10 0.00 0.00 179.97 181.38 3cui h PHE 222 N 0.38 0.16 -0.96 4.08 0.04 -1.23 -3.08 116.94 116.33 3cui h PHE 222 Ca 0.07 -0.04 0.15 0.00 2.80 0.00 0.00 57.97 60.94 3cui h PHE 222 Cb 0.50 -0.04 -0.08 0.00 2.20 0.00 0.00 35.95 38.53 3cui h PHE 222 CO 0.01 0.53 0.61 0.00 -0.60 0.00 0.00 178.31 178.86 3cui h ALA 223 N 0.61 1.70 0.00 2.45 0.00 -0.77 -0.50 119.26 122.75 3cui h ALA 223 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3cui h ALA 223 Cb 0.48 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3cui h ALA 223 CO 0.01 0.03 0.00 -0.25 0.00 0.00 0.00 179.25 179.04 3cui n ASP 224 N -4.62 0.38 0.01 0.00 8.00 0.09 -0.96 116.55 119.45 3cui n ASP 224 Ca 0.19 0.59 0.10 0.00 0.71 0.00 0.00 54.79 56.39 3cui n ASP 224 Cb 0.46 -0.67 0.44 0.00 -0.02 0.00 0.00 41.12 41.33 3cui n ASP 224 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3cui n LEU 225 N -1.92 0.05 -0.04 0.64 4.77 -0.20 -4.90 117.00 115.41 3cui n LEU 225 Ca 0.03 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 3cui n LEU 225 Cb 0.20 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3cui n LEU 225 CO 0.17 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 3cui n GLY 226 N 0.63 1.40 3.23 -0.72 0.00 -0.13 -4.98 105.19 104.62 3cui n GLY 226 Ca 0.05 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 3cui n GLY 226 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cui s VAL 227 N -2.08 1.03 0.55 1.61 -7.23 -1.19 -4.97 120.40 108.12 3cui s VAL 227 Ca 0.00 -2.03 -0.11 0.00 -1.81 0.00 0.00 61.98 58.04 3cui s VAL 227 Cb 0.00 -1.82 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 3cui s VAL 227 CO 0.00 -0.77 0.94 -1.81 -0.31 0.00 0.00 175.10 173.15 3cui s ASP 228 N -3.14 6.34 0.17 4.85 1.01 -0.29 -4.17 116.67 121.45 3cui s ASP 228 Ca 0.16 1.30 0.07 0.00 0.71 0.00 0.00 52.55 54.79 3cui s ASP 228 Cb 0.03 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 3cui s ASP 228 CO -0.01 -0.70 -0.15 0.68 0.21 0.00 0.00 175.17 175.21 3cui s VAL 229 N -2.89 1.60 -0.12 -1.27 -7.23 -0.69 -1.24 120.40 108.56 3cui s VAL 229 Ca 0.53 -2.03 -0.21 0.00 -1.81 0.00 0.00 61.98 58.46 3cui s VAL 229 Cb -0.11 -1.87 0.05 0.00 0.56 0.00 0.00 36.38 35.01 3cui s VAL 229 CO 0.45 -0.52 0.52 -0.60 -0.31 0.00 0.00 175.10 174.64 3cui s ARG 230 N -3.29 0.74 -0.29 4.82 3.52 -0.67 -0.53 118.95 123.25 3cui s ARG 230 Ca 0.18 0.43 -0.19 0.00 -0.13 0.00 0.00 55.73 56.01 3cui s ARG 230 Cb -0.02 0.35 -0.02 0.00 -1.56 0.00 0.00 34.95 33.70 3cui s ARG 230 CO 0.05 -0.16 0.56 0.42 -0.81 0.00 0.00 175.30 175.37 3cui s ILE 231 N -0.42 5.00 -0.07 4.11 1.09 -0.78 -0.94 121.20 129.19 3cui s ILE 231 Ca -0.06 0.79 0.14 0.00 -1.10 0.00 0.00 60.65 60.42 3cui s ILE 231 Cb -0.03 -3.92 -0.21 0.00 -1.06 0.00 0.00 42.46 37.23 3cui s ILE 231 CO 0.04 -0.06 0.22 0.35 -0.10 0.00 0.00 174.94 175.38 3cui n THR 232 N 5.30 0.41 -2.79 2.92 -2.24 -0.62 -0.41 114.28 116.87 3cui n THR 232 Ca -0.03 -0.46 -0.01 0.00 -2.27 0.00 0.00 64.05 61.28 3cui n THR 232 Cb 0.49 -0.18 0.06 0.00 -2.10 0.00 0.00 70.33 68.61 3cui n THR 232 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3cui n GLU 233 N -2.24 1.59 -1.70 -0.78 1.02 -0.27 -4.56 120.64 113.69 3cui n GLU 233 Ca -0.11 -3.03 -0.43 0.00 -0.02 0.00 0.00 57.16 53.57 3cui n GLU 233 Cb 0.64 -1.17 -0.03 0.00 -0.02 0.00 0.00 31.44 30.86 3cui n GLU 233 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3cui n LEU 234 N -0.71 3.96 -3.61 -4.62 7.94 -0.05 -4.21 117.00 115.70 3cui n LEU 234 Ca 0.03 1.03 -0.12 0.00 -1.11 0.00 0.00 56.01 55.84 3cui n LEU 234 Cb 0.82 -1.55 -0.05 0.00 0.53 0.00 0.00 43.42 43.17 3cui n LEU 234 CO 0.05 0.15 0.20 1.51 -1.11 0.00 0.00 177.39 178.19 3cui s ASP 235 N 1.91 -0.31 -0.33 1.96 1.47 -1.04 -1.06 116.67 119.27 3cui s ASP 235 Ca 0.79 -0.13 -0.01 0.00 1.18 0.00 0.00 52.55 54.37 3cui s ASP 235 Cb -0.51 0.48 0.11 0.00 -0.34 0.00 0.00 42.92 42.67 3cui s ASP 235 CO 0.35 -0.80 0.15 -0.63 0.68 0.00 0.00 175.17 174.92 3cui s ILE 236 N -3.28 0.40 0.26 2.11 1.01 -0.53 -1.14 121.20 120.04 3cui s ILE 236 Ca -0.00 -1.37 -0.15 0.00 0.00 0.00 0.00 60.65 59.12 3cui s ILE 236 Cb 0.01 -1.31 -0.08 0.00 0.01 0.00 0.00 42.46 41.08 3cui s ILE 236 CO -0.08 -0.80 0.68 0.00 0.00 0.00 0.00 174.94 174.73 3cui s ARG 237 N 1.51 4.01 0.24 2.79 1.70 -0.38 -4.28 118.95 124.56 3cui s ARG 237 Ca 0.12 0.61 0.03 0.00 -0.47 0.00 0.00 55.73 56.03 3cui s ARG 237 Cb -0.19 -2.62 -0.05 0.00 -0.57 0.00 0.00 34.95 31.51 3cui s ARG 237 CO -0.20 0.27 0.02 0.00 -1.08 0.00 0.00 175.30 174.31 3cui s MET 238 N -2.62 1.38 0.13 3.89 0.23 -0.66 -0.64 119.30 121.01 3cui s MET 238 Ca 0.49 -1.71 -0.31 0.00 -1.03 0.00 0.00 55.69 53.12 3cui s MET 238 Cb -0.12 -0.58 -0.09 0.00 -1.53 0.00 0.00 34.83 32.51 3cui s MET 238 CO 0.19 -0.14 1.45 1.03 -2.03 0.00 0.00 175.02 175.52 3cui s ARG 239 N -3.90 4.28 0.33 3.16 1.81 -1.26 -1.01 118.95 122.37 3cui s ARG 239 Ca 0.31 2.18 -0.08 0.00 -1.72 0.00 0.00 55.73 56.42 3cui s ARG 239 Cb 0.06 -3.21 -0.06 0.00 -0.45 0.00 0.00 34.95 31.29 3cui s ARG 239 CO 0.10 -0.50 0.65 0.95 -0.68 0.00 0.00 175.30 175.82 3cui s THR 240 N 1.11 4.91 0.65 0.02 -4.23 -0.58 -4.33 115.64 113.19 3cui s THR 240 Ca 0.66 0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 61.41 3cui s THR 240 Cb -0.39 -3.72 -0.02 0.00 1.34 0.00 0.00 72.50 69.71 3cui s THR 240 CO 0.31 -0.38 1.04 -2.16 -0.54 0.00 0.00 174.62 172.89 3cui s PRO 241 N -3.60 3.26 0.81 3.99 0.04 -1.26 -4.97 135.00 133.26 3cui s PRO 241 Ca 0.48 0.88 -0.12 0.00 0.04 0.00 0.00 61.00 62.27 3cui s PRO 241 Cb -0.11 -2.03 0.08 0.00 0.04 0.00 0.00 34.50 32.48 3cui s PRO 241 CO 0.29 -0.84 1.15 -1.54 0.04 0.00 0.00 177.00 176.11 3cui s SER 242 N -3.90 3.80 0.33 6.66 1.04 -1.26 -5.07 113.70 115.29 3cui s SER 242 Ca 0.57 2.17 0.05 0.00 0.48 0.00 0.00 55.95 59.22 3cui s SER 242 Cb -0.13 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.41 3cui s SER 242 CO 0.53 -2.52 0.33 -0.90 0.98 0.00 0.00 173.24 171.66 3cui n ASP 243 N -3.46 -0.87 -0.20 7.02 5.68 -1.26 -5.04 116.55 118.42 3cui n ASP 243 Ca 0.12 -3.08 -0.08 0.00 -0.50 0.00 0.00 54.79 51.24 3cui n ASP 243 Cb 0.52 1.88 0.02 0.00 -1.14 0.00 0.00 41.12 42.39 3cui n ASP 243 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3cui h ALA 244 N 2.05 0.74 -0.04 2.12 0.00 -1.99 -1.06 119.26 121.08 3cui h ALA 244 Ca -0.24 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3cui h ALA 244 Cb 1.18 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3cui h ALA 244 CO 0.34 0.39 0.02 1.15 0.00 0.00 0.00 179.25 181.16 3cui h THR 245 N 0.79 1.02 -0.72 0.00 2.02 -1.99 -0.91 112.91 113.12 3cui h THR 245 Ca 0.18 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 3cui h THR 245 Cb 0.26 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 3cui h THR 245 CO -0.01 0.01 0.35 0.11 0.37 0.00 0.00 175.52 176.35 3cui h LYS 246 N 0.04 1.03 -0.28 6.66 1.57 -1.92 -1.29 116.57 122.38 3cui h LYS 246 Ca 0.01 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.54 3cui h LYS 246 Cb 0.00 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3cui h LYS 246 CO -0.00 0.81 -0.25 -0.07 -0.57 0.00 0.00 179.45 179.37 3cui h LEU 247 N 1.00 0.55 -0.28 2.94 3.38 -1.05 -0.24 115.31 121.62 3cui h LEU 247 Ca 0.25 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3cui h LEU 247 Cb 0.11 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3cui h LEU 247 CO -0.03 0.79 -0.06 0.00 0.09 0.00 0.00 178.44 179.23 3cui h ALA 248 N 1.25 0.39 -0.44 1.53 0.00 -0.89 -1.14 119.26 119.96 3cui h ALA 248 Ca 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3cui h ALA 248 Cb 0.69 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3cui h ALA 248 CO 0.05 0.20 0.22 1.15 0.00 0.00 0.00 179.25 180.87 3cui h THR 249 N 0.30 1.17 -0.80 0.00 2.02 -1.08 -1.34 112.91 113.17 3cui h THR 249 Ca 0.07 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 66.83 3cui h THR 249 Cb 0.54 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 67.57 3cui h THR 249 CO 0.03 0.19 0.50 -0.61 0.37 0.00 0.00 175.52 175.99 3cui h GLN 250 N 0.57 0.91 -0.24 6.66 4.15 -0.97 0.58 115.11 126.76 3cui h GLN 250 Ca 0.15 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 3cui h GLN 250 Cb 0.09 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 3cui h GLN 250 CO -0.02 0.60 0.10 0.00 -1.93 0.00 0.00 178.83 177.58 3cui h ALA 251 N 1.37 0.32 -0.82 3.38 0.00 -0.83 -0.47 119.26 122.20 3cui h ALA 251 Ca 0.34 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.22 3cui h ALA 251 Cb 0.11 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 3cui h ALA 251 CO -0.15 -0.10 0.54 0.00 0.00 0.00 0.00 179.25 179.54 3cui h ALA 252 N 0.95 1.67 -0.30 0.00 0.00 -0.59 -1.32 119.26 119.68 3cui h ALA 252 Ca 0.08 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3cui h ALA 252 Cb 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3cui h ALA 252 CO -0.01 0.17 -0.12 -0.44 0.00 0.00 0.00 179.25 178.86 3cui h ASP 253 N 0.83 0.62 -0.72 0.00 3.32 -0.29 -1.24 116.42 118.94 3cui h ASP 253 Ca 0.37 -0.39 0.03 0.00 0.02 0.00 0.00 57.03 57.06 3cui h ASP 253 Cb 0.35 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 3cui h ASP 253 CO -0.14 0.88 0.45 1.88 -1.72 0.00 0.00 179.24 180.58 3cui h TYR 254 N 0.37 0.83 -0.59 4.55 -1.99 -0.68 -1.50 116.97 117.96 3cui h TYR 254 Ca 0.07 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.81 3cui h TYR 254 Cb 0.63 -0.27 -0.03 0.00 2.00 0.00 0.00 36.73 39.06 3cui h TYR 254 CO 0.06 0.47 0.32 -0.22 -0.00 0.00 0.00 178.16 178.79 3cui h LYS 255 N 0.87 0.83 -0.58 4.88 3.64 -1.04 -1.40 116.57 123.77 3cui h LYS 255 Ca 0.29 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 3cui h LYS 255 Cb 0.04 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 3cui h LYS 255 CO -0.12 0.64 0.35 0.87 -2.27 0.00 0.00 179.45 178.92 3cui h LYS 256 N 0.80 0.66 -0.11 1.90 1.57 -0.62 -0.01 116.57 120.76 3cui h LYS 256 Ca 0.21 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 3cui h LYS 256 Cb 0.05 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 3cui h LYS 256 CO -0.03 0.44 -0.01 0.28 -0.57 0.00 0.00 179.45 179.56 3cui h VAL 257 N 0.68 1.26 -0.55 0.50 2.07 -0.99 -1.48 116.25 117.75 3cui h VAL 257 Ca 0.23 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 3cui h VAL 257 Cb 0.04 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3cui h VAL 257 CO -0.11 0.25 0.07 0.58 0.02 0.00 0.00 177.57 178.38 3cui h VAL 258 N -0.08 1.24 -0.70 2.57 2.07 -1.12 -2.52 116.25 117.71 3cui h VAL 258 Ca 0.03 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 3cui h VAL 258 Cb 0.38 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3cui h VAL 258 CO 0.01 0.35 0.21 1.56 0.02 0.00 0.00 177.57 179.71 3cui h GLN 259 N 0.83 1.10 -0.75 1.57 4.20 -0.93 -0.21 115.11 120.92 3cui h GLN 259 Ca 0.17 -0.24 0.03 0.00 0.06 0.00 0.00 58.65 58.67 3cui h GLN 259 Cb 0.39 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 3cui h GLN 259 CO 0.01 0.95 0.47 0.00 -0.67 0.00 0.00 178.83 179.59 3cui h ALA 260 N 1.10 0.99 -0.18 3.87 0.00 -0.89 -0.36 119.26 123.80 3cui h ALA 260 Ca 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3cui h ALA 260 Cb 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3cui h ALA 260 CO -0.01 0.26 0.06 0.00 0.00 0.00 0.00 179.25 179.56 3cui h MET 262 N 0.12 0.31 -0.00 0.00 2.07 -0.48 -1.66 114.93 115.29 3cui h MET 262 Ca 0.06 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 3cui h MET 262 Cb 0.24 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.90 3cui h MET 262 CO -0.00 0.20 -0.01 1.04 1.07 0.00 0.00 176.91 179.21 3cui n GLN 263 N -4.45 0.95 -4.10 1.72 6.02 -0.19 -4.62 117.38 112.70 3cui n GLN 263 Ca 0.12 -0.13 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 3cui n GLN 263 Cb 0.50 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 30.11 3cui n GLN 263 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3cui s VAL 264 N -2.14 2.11 0.42 5.09 1.01 -0.62 -5.02 120.40 121.24 3cui s VAL 264 Ca 0.42 -1.20 0.08 0.00 0.00 0.00 0.00 61.98 61.28 3cui s VAL 264 Cb 0.21 -2.02 0.24 0.00 0.00 0.00 0.00 36.38 34.81 3cui s VAL 264 CO 0.39 0.32 2.03 0.71 0.00 0.00 0.00 175.10 178.56 3cui h THR 265 N 6.25 1.11 -0.46 3.92 1.35 -1.82 -1.07 112.91 122.20 3cui h THR 265 Ca -0.36 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 3cui h THR 265 Cb 1.10 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 3cui h THR 265 CO 0.57 0.12 0.00 0.54 -0.25 0.00 0.00 175.52 176.51 3cui n ARG 266 N -4.44 2.24 -2.54 4.72 1.74 -1.26 -4.80 116.66 112.32 3cui n ARG 266 Ca 0.01 -1.71 -0.43 0.00 -0.77 0.00 0.00 57.85 54.95 3cui n ARG 266 Cb 0.11 -1.43 -0.02 0.00 -1.02 0.00 0.00 32.46 30.10 3cui n ARG 266 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cui h GLN 268 N 9.00 0.00 0.00 0.00 1.08 -1.12 -3.47 115.11 120.59 3cui h GLN 268 Ca -0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 3cui h GLN 268 Cb 1.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 3cui h GLN 268 CO 1.07 0.41 0.00 0.41 -0.95 0.00 0.00 178.83 179.76 3cui n GLY 269 N -0.05 -0.24 2.97 3.46 0.00 -1.26 -0.92 105.19 109.16 3cui n GLY 269 Ca -0.01 -1.41 -0.23 0.00 0.00 0.00 0.00 46.02 44.37 3cui n GLY 269 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cui s VAL 270 N -2.86 0.93 -0.16 1.61 1.01 -0.50 -1.87 120.40 118.56 3cui s VAL 270 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 3cui s VAL 270 Cb 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 3cui s VAL 270 CO 0.00 0.31 -0.11 -0.89 0.00 0.00 0.00 175.10 174.41 3cui s THR 271 N 0.80 3.11 0.11 3.92 2.01 0.46 -0.73 115.64 125.32 3cui s THR 271 Ca -0.12 -0.62 -0.10 0.00 0.31 0.00 0.00 61.69 61.15 3cui s THR 271 Cb -0.15 -2.34 -0.06 0.00 0.01 0.00 0.00 72.50 69.96 3cui s THR 271 CO 0.02 0.50 0.44 0.68 -0.69 0.00 0.00 174.62 175.57 3cui s VAL 272 N 0.68 5.04 -1.41 3.82 -7.23 -0.07 -0.87 120.40 120.37 3cui s VAL 272 Ca -0.06 0.49 -0.08 0.00 -1.81 0.00 0.00 61.98 60.52 3cui s VAL 272 Cb -0.15 -3.66 0.07 0.00 0.56 0.00 0.00 36.38 33.20 3cui s VAL 272 CO 0.02 0.22 2.45 1.87 -0.31 0.00 0.00 175.10 179.35 3cui n TRP 273 N 0.71 2.67 0.00 2.82 -0.00 -0.22 -1.93 117.44 121.49 3cui n TRP 273 Ca -0.06 -2.90 0.00 0.00 -0.00 0.00 0.00 57.50 54.54 3cui n TRP 273 Cb 0.52 -2.08 0.00 0.00 -0.00 0.00 0.00 31.31 29.75 3cui n TRP 273 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3cui n GLY 274 N 2.56 1.99 0.14 5.87 0.00 -1.26 -4.78 105.19 109.71 3cui n GLY 274 Ca 0.62 -2.14 -0.19 0.00 0.00 0.00 0.00 46.02 44.32 3cui n GLY 274 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3cui n ILE 275 N -1.20 1.49 -5.03 -0.61 5.41 -1.26 -4.64 119.36 113.52 3cui n ILE 275 Ca 0.00 -0.11 -0.30 0.00 1.00 0.00 0.00 62.75 63.34 3cui n ILE 275 Cb 0.00 -2.10 -0.15 0.00 -0.71 0.00 0.00 39.64 36.68 3cui n ILE 275 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 3cui s THR 276 N -2.69 2.09 0.61 1.39 -1.32 -1.26 -2.79 115.64 111.67 3cui s THR 276 Ca -0.33 -1.29 0.29 0.00 -1.21 0.00 0.00 61.69 59.15 3cui s THR 276 Cb 0.09 -1.77 0.35 0.00 -1.51 0.00 0.00 72.50 69.66 3cui s THR 276 CO 0.45 0.43 1.96 0.44 -2.21 0.00 0.00 174.62 175.69 3cui h ASP 277 N 5.03 0.00 -0.71 8.08 3.32 -1.29 -1.68 116.42 129.16 3cui h ASP 277 Ca -0.45 0.00 0.13 0.00 0.02 0.00 0.00 57.03 56.72 3cui h ASP 277 Cb 1.14 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.64 3cui h ASP 277 CO 0.45 0.00 0.47 0.50 -1.72 0.00 0.00 179.24 178.94 3cui h LYS 278 N 0.00 0.44 -0.00 3.56 3.64 -1.83 -3.16 116.57 119.23 3cui h LYS 278 Ca 0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3cui h LYS 278 Cb 0.85 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3cui h LYS 278 CO -0.00 0.29 -0.03 0.66 -2.27 0.00 0.00 179.45 178.11 3cui n TYR 279 N -4.48 0.00 -1.64 1.91 4.01 -0.65 -5.06 117.16 111.26 3cui n TYR 279 Ca 0.13 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.42 3cui n TYR 279 Cb 0.45 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.47 3cui n TYR 279 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3cui n SER 280 N -0.16 2.04 0.32 7.72 2.88 -1.09 -4.88 113.62 120.45 3cui n SER 280 Ca 0.01 1.17 0.21 0.00 -1.33 0.00 0.00 58.87 58.93 3cui n SER 280 Cb 0.05 -1.36 1.05 0.00 -0.75 0.00 0.00 64.21 63.20 3cui n SER 280 CO 0.00 0.00 0.00 4.11 -1.23 0.00 0.00 175.04 177.92 3cui h TRP 281 N 2.84 0.00 0.34 0.66 5.08 -1.93 -3.37 115.95 119.56 3cui h TRP 281 Ca -0.43 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.53 3cui h TRP 281 Cb 1.31 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.46 3cui h TRP 281 CO 0.51 0.00 -0.27 0.28 -1.28 0.00 0.00 178.44 177.69 3cui h VAL 282 N 0.00 0.44 -0.26 0.12 2.07 -1.92 -3.04 116.25 113.66 3cui h VAL 282 Ca -0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 3cui h VAL 282 Cb 0.16 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3cui h VAL 282 CO 0.00 0.00 0.20 -0.65 0.02 0.00 0.00 177.57 177.14 3cui h PRO 283 N -0.61 0.00 0.00 1.57 0.11 -1.73 0.02 132.00 131.36 3cui h PRO 283 Ca -0.03 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.98 3cui h PRO 283 Cb 0.53 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 3cui h PRO 283 CO -0.01 0.00 -0.49 -0.44 -0.21 0.00 0.00 178.00 176.85 3cui h ASP 284 N 0.00 0.00 0.12 -2.05 3.32 -1.81 -3.31 116.42 112.69 3cui h ASP 284 Ca 0.12 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.81 3cui h ASP 284 Cb 0.53 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 3cui h ASP 284 CO -0.00 0.49 -2.19 0.52 -1.72 0.00 0.00 179.24 176.34 3cui n VAL 285 N -3.83 1.56 -3.94 -1.35 0.31 -0.58 -4.82 118.33 105.68 3cui n VAL 285 Ca -0.01 -0.71 -0.32 0.00 -0.01 0.00 0.00 64.34 63.29 3cui n VAL 285 Cb 0.53 -1.16 -0.14 0.00 -0.91 0.00 0.00 33.84 32.16 3cui n VAL 285 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3cui s PHE 286 N -2.54 3.44 0.04 3.52 0.08 -0.11 -5.08 117.98 117.33 3cui s PHE 286 Ca -0.20 -3.01 -0.35 0.00 0.12 0.00 0.00 56.93 53.50 3cui s PHE 286 Cb 0.07 -2.93 -0.13 0.00 -0.57 0.00 0.00 43.02 39.46 3cui s PHE 286 CO 0.74 -0.84 1.68 -0.35 -0.10 0.00 0.00 175.22 176.35 3cui n PRO 287 N 3.66 2.02 -0.99 0.24 -0.04 -1.26 -1.36 135.00 137.27 3cui n PRO 287 Ca 0.04 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 3cui n PRO 287 Cb 0.37 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 3cui n PRO 287 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cui n GLY 288 N 3.74 0.82 3.73 0.55 0.00 -1.26 -5.03 105.19 107.74 3cui n GLY 288 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 3cui n GLY 288 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cui s GLU 289 N -0.01 2.61 0.00 1.61 2.02 -0.47 -1.52 118.70 122.94 3cui s GLU 289 Ca 0.00 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 53.81 3cui s GLU 289 Cb 0.00 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.84 3cui s GLU 289 CO 0.00 0.40 0.00 0.41 0.02 0.00 0.00 175.26 176.09 3cui n GLY 290 N -0.85 -0.55 4.33 -1.39 0.00 -0.18 -3.62 105.19 102.92 3cui n GLY 290 Ca -0.08 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 3cui n GLY 290 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cui n ALA 291 N 0.00 -1.59 0.90 4.61 0.00 -1.26 -1.65 120.51 121.52 3cui n ALA 291 Ca 0.00 -0.24 0.12 0.00 0.00 0.00 0.00 53.44 53.31 3cui n ALA 291 Cb 0.00 -2.02 0.15 0.00 0.00 0.00 0.00 19.45 17.58 3cui n ALA 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cui n ALA 292 N -4.34 3.66 -3.66 0.00 0.00 -1.26 -4.62 120.51 110.29 3cui n ALA 292 Ca -0.09 -0.39 -0.21 0.00 0.00 0.00 0.00 53.44 52.75 3cui n ALA 292 Cb 0.57 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 18.98 3cui n ALA 292 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3cui n LEU 293 N -1.62 0.00 0.09 0.00 4.77 -1.26 -1.46 117.00 117.52 3cui n LEU 293 Ca 0.05 -2.12 -0.00 0.00 -0.03 0.00 0.00 56.01 53.90 3cui n LEU 293 Cb 0.36 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.33 3cui n LEU 293 CO 0.37 -0.53 0.16 0.58 -1.33 0.00 0.00 177.39 176.64 3cui h VAL 294 N 0.53 0.92 -3.83 4.08 2.07 -1.88 -3.45 116.25 114.68 3cui h VAL 294 Ca -0.25 -2.40 -0.69 0.00 0.82 0.00 0.00 66.70 64.18 3cui h VAL 294 Cb 0.96 2.39 -0.21 0.00 -1.52 0.00 0.00 31.29 32.92 3cui h VAL 294 CO 0.39 0.52 -0.73 0.26 0.02 0.00 0.00 177.57 178.03 3cui s TRP 295 N -2.89 2.82 0.74 1.57 0.51 -1.12 -1.45 118.94 119.12 3cui s TRP 295 Ca 0.01 -0.07 -0.13 0.00 -2.12 0.00 0.00 56.10 53.80 3cui s TRP 295 Cb 0.08 -1.66 0.17 0.00 -0.81 0.00 0.00 33.47 31.25 3cui s TRP 295 CO 0.78 0.27 0.89 -0.40 -0.51 0.00 0.00 176.95 177.98 3cui n ASP 296 N 2.21 -0.44 0.00 2.95 5.68 -0.20 -1.22 116.55 125.52 3cui n ASP 296 Ca -0.17 -1.24 0.07 0.00 -0.50 0.00 0.00 54.79 52.95 3cui n ASP 296 Cb 0.53 -0.71 0.35 0.00 -1.14 0.00 0.00 41.12 40.14 3cui n ASP 296 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3cui n ALA 297 N -3.80 1.75 -1.02 2.12 0.00 -1.26 -1.36 120.51 116.94 3cui n ALA 297 Ca -0.15 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.31 3cui n ALA 297 Cb 0.41 -1.25 0.25 0.00 0.00 0.00 0.00 19.45 18.87 3cui n ALA 297 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3cui n SER 298 N -1.42 3.79 -1.89 0.00 7.64 -1.26 -4.65 113.62 115.82 3cui n SER 298 Ca 0.05 -3.06 -0.19 0.00 1.01 0.00 0.00 58.87 56.68 3cui n SER 298 Cb 0.16 -0.55 -0.04 0.00 -1.01 0.00 0.00 64.21 62.77 3cui n SER 298 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3cui n TYR 299 N -0.57 -0.52 -3.17 1.43 4.01 -0.46 -5.00 117.16 112.89 3cui n TYR 299 Ca 0.22 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.57 3cui n TYR 299 Cb 0.90 -3.55 -0.06 0.00 -0.31 0.00 0.00 39.34 36.32 3cui n TYR 299 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3cui s ALA 300 N -2.86 3.50 0.23 -0.72 0.00 -1.26 -4.81 121.76 115.84 3cui s ALA 300 Ca 0.00 0.11 -0.32 0.00 0.00 0.00 0.00 51.96 51.75 3cui s ALA 300 Cb 0.00 -2.77 -0.13 0.00 0.00 0.00 0.00 23.12 20.22 3cui s ALA 300 CO 0.00 0.24 1.58 1.63 0.00 0.00 0.00 175.76 179.20 3cui n LYS 301 N 2.30 2.43 -2.79 0.00 5.02 -1.26 -1.03 118.16 122.84 3cui n LYS 301 Ca -0.07 0.87 -0.20 0.00 -2.02 0.00 0.00 58.31 56.89 3cui n LYS 301 Cb 0.51 -2.64 0.03 0.00 -0.02 0.00 0.00 35.03 32.91 3cui n LYS 301 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cui s LYS 302 N 0.23 2.62 0.61 1.97 1.02 -0.53 -4.88 119.74 120.78 3cui s LYS 302 Ca 0.71 -0.99 0.31 0.00 0.02 0.00 0.00 55.97 56.02 3cui s LYS 302 Cb -0.58 -2.59 1.77 0.00 -0.52 0.00 0.00 37.83 35.92 3cui s LYS 302 CO 0.42 -0.57 2.14 -1.35 -0.92 0.00 0.00 175.35 175.07 3cui h PRO 303 N 0.27 0.00 -0.87 -1.68 0.11 -1.87 -0.46 132.00 127.50 3cui h PRO 303 Ca -0.41 0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.90 3cui h PRO 303 Cb 1.29 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.34 3cui h PRO 303 CO 0.49 0.00 0.58 0.00 -0.21 0.00 0.00 178.00 178.86 3cui h ALA 304 N 1.79 2.27 0.22 -0.75 0.00 -1.86 -2.82 119.26 118.11 3cui h ALA 304 Ca 0.06 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3cui h ALA 304 Cb 0.38 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3cui h ALA 304 CO -0.00 -0.54 -0.24 -0.92 0.00 0.00 0.00 179.25 177.55 3cui h TYR 305 N 0.35 -0.64 -0.55 0.00 5.03 -1.30 -0.52 116.97 119.34 3cui h TYR 305 Ca 0.45 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.75 3cui h TYR 305 Cb 1.18 0.25 -0.03 0.00 1.55 0.00 0.00 36.73 39.68 3cui h TYR 305 CO -0.00 -0.35 0.30 0.00 -1.32 0.00 0.00 178.16 176.79 3cui h ALA 306 N 0.19 1.50 -0.64 1.82 0.00 -1.68 -1.90 119.26 118.55 3cui h ALA 306 Ca 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3cui h ALA 306 Cb 0.47 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3cui h ALA 306 CO -0.07 0.42 0.16 0.00 0.00 0.00 0.00 179.25 179.77 3cui h ALA 307 N 1.57 0.84 -0.34 0.00 0.00 -1.28 -0.50 119.26 119.55 3cui h ALA 307 Ca 0.20 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3cui h ALA 307 Cb 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3cui h ALA 307 CO -0.03 0.54 0.07 0.28 0.00 0.00 0.00 179.25 180.11 3cui h VAL 308 N 0.93 1.23 -0.29 0.00 2.07 -0.67 -0.85 116.25 118.68 3cui h VAL 308 Ca 0.20 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 66.99 3cui h VAL 308 Cb 0.35 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 3cui h VAL 308 CO 0.00 0.27 -0.14 0.24 0.02 0.00 0.00 177.57 177.95 3cui h MET 309 N 0.40 -0.10 -0.75 1.57 2.86 -1.19 -1.73 114.93 115.99 3cui h MET 309 Ca 0.11 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 3cui h MET 309 Cb 0.33 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 3cui h MET 309 CO 0.00 -0.07 0.37 0.93 1.06 0.00 0.00 176.91 179.21 3cui h GLU 310 N -0.10 1.07 -0.23 1.72 5.08 -0.90 -2.64 114.58 118.59 3cui h GLU 310 Ca 0.15 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3cui h GLU 310 Cb 0.33 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3cui h GLU 310 CO -0.35 0.83 -0.28 0.00 -1.00 0.00 0.00 179.01 178.21 3cui h ALA 311 N 1.18 1.09 0.00 3.43 0.00 -0.71 -1.87 119.26 122.38 3cui h ALA 311 Ca 0.26 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3cui h ALA 311 Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3cui h ALA 311 CO -0.03 0.57 -0.29 0.74 0.00 0.00 0.00 179.25 180.23 3cui h PHE 312 N 0.39 0.00 0.05 0.00 0.04 -1.20 -3.28 116.94 112.95 3cui h PHE 312 Ca 0.05 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.57 3cui h PHE 312 Cb 0.70 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.83 3cui h PHE 312 CO 0.02 0.29 -1.22 0.78 -0.60 0.00 0.00 178.31 177.58 3cui h GLY 313 N 2.25 0.13 1.00 -1.45 0.00 -0.99 -3.41 103.07 100.61 3cui h GLY 313 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3cui h GLY 313 CO 0.04 0.30 0.00 0.00 0.00 0.00 0.00 176.54 176.87