#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rnr s TYR 2 N 0.00 3.23 0.03 0.00 5.04 -1.26 -4.96 117.35 119.43 1rnr s TYR 2 Ca 0.00 1.55 -0.07 0.00 -2.44 0.00 0.00 57.07 56.12 1rnr s TYR 2 Cb 0.00 -3.46 -0.00 0.00 0.35 0.00 0.00 41.96 38.84 1rnr s TYR 2 CO 0.00 -1.25 0.12 -0.08 -1.34 0.00 0.00 175.55 173.00 1rnr s THR 3 N -1.23 0.11 -2.11 4.34 -1.32 -1.26 -5.05 115.64 109.12 1rnr s THR 3 Ca 0.50 -0.92 0.26 0.00 -1.21 0.00 0.00 61.69 60.32 1rnr s THR 3 Cb -0.34 -0.72 0.32 0.00 -1.51 0.00 0.00 72.50 70.25 1rnr s THR 3 CO 0.45 -0.51 1.55 0.35 -2.21 0.00 0.00 174.62 174.25 1rnr n THR 4 N 1.01 0.00 -3.14 5.08 -2.24 -1.26 -4.63 114.28 109.10 1rnr n THR 4 Ca -0.20 -0.21 0.03 0.00 -2.27 0.00 0.00 64.05 61.40 1rnr n THR 4 Cb 0.57 0.61 -0.00 0.00 -2.10 0.00 0.00 70.33 69.41 1rnr n THR 4 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1rnr s PHE 5 N -2.31 -1.56 0.21 4.78 5.36 -1.26 -4.84 117.98 118.37 1rnr s PHE 5 Ca 0.28 0.62 -0.30 0.00 -0.96 0.00 0.00 56.93 56.57 1rnr s PHE 5 Cb 0.20 0.28 -0.09 0.00 -0.34 0.00 0.00 43.02 43.07 1rnr s PHE 5 CO 0.45 -0.97 1.26 -1.54 -1.46 0.00 0.00 175.22 172.96 1rnr s SER 6 N 2.41 6.97 0.00 6.13 1.04 -1.26 -4.92 113.70 124.07 1rnr s SER 6 Ca 0.14 2.37 0.09 0.00 0.48 0.00 0.00 55.95 59.03 1rnr s SER 6 Cb -0.06 -2.61 0.48 0.00 0.10 0.00 0.00 66.02 63.92 1rnr s SER 6 CO -0.18 -0.45 1.32 0.00 0.98 0.00 0.00 173.24 174.91 1rnr n ALA 7 N 2.32 2.53 -2.71 5.32 0.00 -1.26 -4.78 120.51 121.93 1rnr n ALA 7 Ca 0.04 -0.16 -0.38 0.00 0.00 0.00 0.00 53.44 52.95 1rnr n ALA 7 Cb 0.43 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.71 1rnr n ALA 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rnr s THR 8 N -1.92 5.22 -0.12 0.00 2.01 -1.26 -5.01 115.64 114.56 1rnr s THR 8 Ca 0.15 0.77 -0.29 0.00 0.31 0.00 0.00 61.69 62.63 1rnr s THR 8 Cb 0.07 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1rnr s THR 8 CO 0.12 0.32 1.56 -0.75 -0.69 0.00 0.00 174.62 175.17 1rnr s LYS 9 N 0.81 4.10 0.15 4.92 2.36 -1.26 -4.97 119.74 125.85 1rnr s LYS 9 Ca 0.21 1.94 0.03 0.00 -2.55 0.00 0.00 55.97 55.61 1rnr s LYS 9 Cb -0.14 -3.95 -0.04 0.00 -1.05 0.00 0.00 37.83 32.64 1rnr s LYS 9 CO 0.08 -0.93 -0.06 0.54 1.55 0.00 0.00 175.35 176.53 1rnr s ASN 10 N 3.26 1.53 -0.56 1.43 2.20 -1.26 -5.10 114.94 116.43 1rnr s ASN 10 Ca 0.69 -1.06 -0.19 0.00 -0.94 0.00 0.00 52.86 51.36 1rnr s ASN 10 Cb -0.29 0.04 0.08 0.00 -2.00 0.00 0.00 41.25 39.09 1rnr s ASN 10 CO 0.26 -0.43 0.69 -0.62 -2.94 0.00 0.00 177.10 174.07 1rnr s ASP 11 N -3.15 6.20 0.13 3.54 -1.08 -1.26 -4.92 116.67 116.12 1rnr s ASP 11 Ca 0.18 -1.21 0.14 0.00 -0.52 0.00 0.00 52.55 51.14 1rnr s ASP 11 Cb 0.04 -2.31 0.66 0.00 -1.46 0.00 0.00 42.92 39.86 1rnr s ASP 11 CO 0.01 -1.06 1.44 0.00 0.52 0.00 0.00 175.17 176.08 1rnr n GLN 12 N 6.37 0.08 0.15 4.34 6.02 -1.26 -1.44 117.38 131.63 1rnr n GLN 12 Ca -0.08 0.44 0.09 0.00 -0.01 0.00 0.00 57.00 57.43 1rnr n GLN 12 Cb 0.44 -1.68 0.06 0.00 1.02 0.00 0.00 30.24 30.07 1rnr n GLN 12 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1rnr h LEU 13 N 0.00 0.00 -1.55 1.08 3.38 -1.94 -3.36 115.31 112.92 1rnr h LEU 13 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rnr h LEU 13 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1rnr h LEU 13 CO 0.00 0.17 -0.11 1.17 0.09 0.00 0.00 178.44 179.75 1rnr n LYS 14 N -2.98 1.73 -2.68 1.13 4.81 -0.52 -4.76 118.16 114.90 1rnr n LYS 14 Ca 0.01 -1.49 -0.34 0.00 -0.87 0.00 0.00 58.31 55.62 1rnr n LYS 14 Cb 0.61 -1.39 -0.05 0.00 0.02 0.00 0.00 35.03 34.22 1rnr n LYS 14 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1rnr s GLU 15 N -1.84 4.01 0.77 1.64 0.41 -1.16 -5.05 118.70 117.48 1rnr s GLU 15 Ca 0.22 1.25 -0.11 0.00 -0.41 0.00 0.00 54.97 55.92 1rnr s GLU 15 Cb 0.17 -2.14 0.06 0.00 -1.78 0.00 0.00 34.13 30.43 1rnr s GLU 15 CO 0.32 -0.24 1.09 -1.25 -0.49 0.00 0.00 175.26 174.70 1rnr s PRO 16 N -3.20 2.26 0.26 0.39 0.04 -1.26 -4.91 135.00 128.57 1rnr s PRO 16 Ca 0.65 1.17 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 1rnr s PRO 16 Cb -0.13 -1.90 0.35 0.00 0.04 0.00 0.00 34.50 32.87 1rnr s PRO 16 CO 0.17 -1.64 1.89 0.52 0.04 0.00 0.00 177.00 177.97 1rnr h MET 17 N -1.13 1.15 -4.59 4.56 2.86 -1.92 -3.37 114.93 112.49 1rnr h MET 17 Ca -0.44 -0.07 -0.29 0.00 -2.06 0.00 0.00 59.70 56.84 1rnr h MET 17 Cb 1.23 -0.26 -0.22 0.00 0.06 0.00 0.00 31.60 32.41 1rnr h MET 17 CO 0.51 0.76 -0.74 -0.06 1.06 0.00 0.00 176.91 178.45 1rnr s PHE 18 N -6.07 0.68 -0.53 -0.22 0.08 -1.26 -0.83 117.98 109.84 1rnr s PHE 18 Ca -0.13 -0.43 0.00 0.00 0.12 0.00 0.00 56.93 56.50 1rnr s PHE 18 Cb 0.19 -0.41 0.00 0.00 -0.57 0.00 0.00 43.02 42.23 1rnr s PHE 18 CO 0.81 -0.06 0.00 1.19 -0.10 0.00 0.00 175.22 177.06 1rnr n PHE 19 N 1.71 0.00 -1.11 0.36 3.72 0.32 -4.87 117.46 117.58 1rnr n PHE 19 Ca -0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 1rnr n PHE 19 Cb 0.55 -1.41 0.00 0.00 -0.94 0.00 0.00 39.48 37.68 1rnr n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rnr n GLY 20 N -1.51 0.32 3.77 1.37 0.00 -1.26 -5.03 105.19 102.84 1rnr n GLY 20 Ca -0.05 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 43.77 1rnr n GLY 20 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rnr s GLN 21 N 0.25 4.45 0.41 1.61 -2.07 -1.26 -4.75 119.66 118.30 1rnr s GLN 21 Ca 0.00 1.57 -0.25 0.00 -1.82 0.00 0.00 55.36 54.86 1rnr s GLN 21 Cb 0.00 -2.86 -0.10 0.00 -1.09 0.00 0.00 33.01 28.96 1rnr s GLN 21 CO 0.00 0.11 1.18 -2.30 -1.32 0.00 0.00 175.29 172.95 1rnr n PRO 22 N 0.58 1.73 -1.88 9.60 -0.02 -1.26 -4.46 135.00 139.28 1rnr n PRO 22 Ca 0.02 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 1rnr n PRO 22 Cb 0.48 -2.25 -0.01 0.00 -0.02 0.00 0.00 33.50 31.70 1rnr n PRO 22 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1rnr s VAL 23 N -1.21 2.24 0.00 -1.45 1.01 -1.26 -4.43 120.40 115.30 1rnr s VAL 23 Ca 0.61 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1rnr s VAL 23 Cb -0.53 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1rnr s VAL 23 CO 0.58 0.05 0.00 0.00 0.00 0.00 0.00 175.10 175.73 1rnr n GLN 24 N 0.88 0.00 -2.35 2.72 3.00 -1.26 -4.41 117.38 115.95 1rnr n GLN 24 Ca 0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.60 1rnr n GLN 24 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.60 1rnr n GLN 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1rnr s VAL 25 N 0.00 3.61 -0.57 5.09 0.11 -1.26 -4.92 120.40 122.46 1rnr s VAL 25 Ca 0.00 1.28 -0.25 0.00 -2.93 0.00 0.00 61.98 60.08 1rnr s VAL 25 Cb 0.00 -3.82 0.04 0.00 -1.53 0.00 0.00 36.38 31.07 1rnr s VAL 25 CO 0.00 0.17 1.02 0.00 -3.33 0.00 0.00 175.10 172.96 1rnr s ALA 26 N 0.29 3.10 0.09 1.54 0.00 -1.26 -4.87 121.76 120.65 1rnr s ALA 26 Ca 0.55 -1.14 0.07 0.00 0.00 0.00 0.00 51.96 51.45 1rnr s ALA 26 Cb -0.33 -3.83 -0.04 0.00 0.00 0.00 0.00 23.12 18.92 1rnr s ALA 26 CO 0.35 -2.49 -0.13 1.03 0.00 0.00 0.00 175.76 174.52 1rnr s ARG 27 N 4.27 2.06 0.00 0.00 0.52 -1.26 -5.01 118.95 119.53 1rnr s ARG 27 Ca 0.34 -1.03 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 1rnr s ARG 27 Cb -0.11 -2.25 0.00 0.00 0.52 0.00 0.00 34.95 33.11 1rnr s ARG 27 CO 0.21 0.51 0.49 0.66 0.02 0.00 0.00 175.30 177.20 1rnr n TYR 28 N 0.95 0.00 0.15 -0.53 4.01 -1.26 -4.55 117.16 115.93 1rnr n TYR 28 Ca -0.15 -0.12 0.10 0.00 -0.16 0.00 0.00 57.90 57.58 1rnr n TYR 28 Cb 0.52 -0.01 0.06 0.00 -0.31 0.00 0.00 39.34 39.60 1rnr n TYR 28 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1rnr h ASP 29 N 0.00 0.00 -5.37 7.72 2.03 -2.03 -3.46 116.42 115.31 1rnr h ASP 29 Ca 0.00 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.14 1rnr h ASP 29 Cb 0.57 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 38.92 1rnr h ASP 29 CO 0.00 0.08 -0.59 0.00 -1.03 0.00 0.00 179.24 177.69 1rnr s GLN 30 N -3.24 0.91 -0.07 4.15 -2.07 -1.26 -5.19 119.66 112.89 1rnr s GLN 30 Ca 0.03 -1.35 -0.31 0.00 -1.82 0.00 0.00 55.36 51.91 1rnr s GLN 30 Cb 0.08 0.26 0.07 0.00 -1.09 0.00 0.00 33.01 32.33 1rnr s GLN 30 CO 0.74 -0.26 0.70 1.14 -1.32 0.00 0.00 175.29 176.28 1rnr s GLN 31 N -4.01 1.03 0.08 9.60 0.00 -1.26 -4.95 119.66 120.14 1rnr s GLN 31 Ca 0.20 0.30 -0.19 0.00 -0.00 0.00 0.00 55.36 55.68 1rnr s GLN 31 Cb 0.07 0.48 -0.09 0.00 0.00 0.00 0.00 33.01 33.47 1rnr s GLN 31 CO -0.01 -0.31 1.51 -0.22 0.00 0.00 0.00 175.29 176.27 1rnr h LYS 32 N 3.11 0.42 -4.86 9.60 3.64 -1.86 -3.41 116.57 123.21 1rnr h LYS 32 Ca -0.27 -0.13 -0.66 0.00 -1.27 0.00 0.00 60.65 58.32 1rnr h LYS 32 Cb 1.14 -0.04 -0.37 0.00 -0.41 0.00 0.00 32.23 32.56 1rnr h LYS 32 CO 0.36 0.60 -0.82 0.71 -2.27 0.00 0.00 179.45 178.04 1rnr s TYR 33 N -4.98 3.01 0.29 1.91 2.02 -1.26 -4.99 117.35 113.35 1rnr s TYR 33 Ca -0.14 -2.04 -0.00 0.00 -0.37 0.00 0.00 57.07 54.52 1rnr s TYR 33 Cb 0.07 -1.88 0.44 0.00 -0.40 0.00 0.00 41.96 40.20 1rnr s TYR 33 CO 0.74 -0.84 1.85 -0.44 -1.57 0.00 0.00 175.55 175.29 1rnr h ASP 34 N 7.85 0.74 -1.01 2.29 5.19 -1.99 -3.17 116.42 126.32 1rnr h ASP 34 Ca -0.27 -0.12 0.22 0.00 -0.62 0.00 0.00 57.03 56.24 1rnr h ASP 34 Cb 1.07 -0.19 -0.11 0.00 0.18 0.00 0.00 39.33 40.28 1rnr h ASP 34 CO 0.51 0.72 0.61 -0.29 -3.12 0.00 0.00 179.24 177.66 1rnr h ILE 35 N 0.78 0.61 -0.11 0.35 6.09 -1.98 -0.99 117.51 122.26 1rnr h ILE 35 Ca 0.18 -0.21 -0.14 0.00 -1.37 0.00 0.00 64.86 63.31 1rnr h ILE 35 Cb 0.25 -0.07 -0.01 0.00 0.47 0.00 0.00 36.82 37.46 1rnr h ILE 35 CO -0.01 0.11 -0.54 -0.26 -3.07 0.00 0.00 178.15 174.38 1rnr h PHE 36 N 0.62 0.40 -0.45 2.19 0.04 -1.89 -0.05 116.94 117.80 1rnr h PHE 36 Ca 0.61 -0.14 -0.14 0.00 2.80 0.00 0.00 57.97 61.10 1rnr h PHE 36 Cb 1.13 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 1rnr h PHE 36 CO -0.00 0.79 -0.27 1.49 -0.60 0.00 0.00 178.31 179.72 1rnr h GLU 37 N 0.25 0.97 -0.49 1.51 4.57 -1.38 -2.09 114.58 117.92 1rnr h GLU 37 Ca 0.00 -0.44 -0.07 0.00 -1.18 0.00 0.00 59.36 57.68 1rnr h GLU 37 Cb 1.04 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 1rnr h GLU 37 CO 0.09 1.11 0.04 0.87 -1.18 0.00 0.00 179.01 179.94 1rnr h LYS 38 N 0.83 0.79 -0.04 1.92 1.57 -0.73 -0.86 116.57 120.05 1rnr h LYS 38 Ca 0.10 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.57 1rnr h LYS 38 Cb 0.85 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1rnr h LYS 38 CO 0.07 0.77 -0.47 -0.07 -0.57 0.00 0.00 179.45 179.19 1rnr h LEU 39 N 0.74 0.11 0.03 2.94 3.38 -0.86 -0.93 115.31 120.73 1rnr h LEU 39 Ca 0.15 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1rnr h LEU 39 Cb 0.40 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1rnr h LEU 39 CO 0.01 0.57 -0.01 0.40 0.09 0.00 0.00 178.44 179.49 1rnr h ILE 40 N 0.09 1.25 -0.27 1.22 2.04 -0.66 -1.02 117.51 120.16 1rnr h ILE 40 Ca 0.00 -0.90 0.05 0.00 1.00 0.00 0.00 64.86 65.02 1rnr h ILE 40 Cb 0.86 1.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.74 1rnr h ILE 40 CO 0.07 0.23 -0.08 -0.33 0.00 0.00 0.00 178.15 178.04 1rnr h GLU 41 N -0.44 -0.01 -0.47 2.37 5.08 -0.99 -2.25 114.58 117.86 1rnr h GLU 41 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1rnr h GLU 41 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1rnr h GLU 41 CO 0.01 -0.01 0.22 -0.22 -1.00 0.00 0.00 179.01 178.00 1rnr h LYS 42 N -0.01 0.68 -0.05 2.33 1.63 -1.17 -1.06 116.57 118.93 1rnr h LYS 42 Ca 0.13 -0.11 -0.05 0.00 -0.85 0.00 0.00 60.65 59.77 1rnr h LYS 42 Cb 0.21 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 1rnr h LYS 42 CO -0.28 0.59 -0.20 0.37 -3.45 0.00 0.00 179.45 176.48 1rnr h GLN 43 N 0.62 0.07 -0.18 1.90 5.75 -0.88 -2.52 115.11 119.87 1rnr h GLN 43 Ca 0.16 -0.02 -0.19 0.00 -0.15 0.00 0.00 58.65 58.45 1rnr h GLN 43 Cb 0.14 -0.01 0.01 0.00 1.07 0.00 0.00 27.48 28.68 1rnr h GLN 43 CO -0.02 0.28 -0.65 -0.07 -2.65 0.00 0.00 178.83 175.72 1rnr h LEU 44 N 0.07 0.88 -1.97 -2.39 4.07 -0.91 -2.85 115.31 112.20 1rnr h LEU 44 Ca 0.01 -0.60 0.15 0.00 0.08 0.00 0.00 57.88 57.52 1rnr h LEU 44 Cb 0.40 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 1rnr h LEU 44 CO 0.03 1.33 0.39 0.28 -1.08 0.00 0.00 178.44 179.39 1rnr h SER 45 N 0.48 0.03 -0.33 -0.43 0.02 -0.81 -2.64 113.55 109.87 1rnr h SER 45 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1rnr h SER 45 Cb 1.27 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1rnr h SER 45 CO 0.14 0.01 0.00 0.49 -1.14 0.00 0.00 176.83 176.33 1rnr n PHE 46 N -4.38 0.42 -1.65 3.45 3.72 -0.99 -4.99 117.46 113.05 1rnr n PHE 46 Ca 0.10 -0.21 -0.46 0.00 -0.05 0.00 0.00 57.45 56.83 1rnr n PHE 46 Cb 0.60 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.11 1rnr n PHE 46 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1rnr n PHE 47 N 0.94 1.96 -3.84 1.38 7.35 -1.00 -4.98 117.46 119.27 1rnr n PHE 47 Ca 0.18 0.47 -0.11 0.00 -0.76 0.00 0.00 57.45 57.23 1rnr n PHE 47 Cb 0.46 -2.43 -0.08 0.00 0.35 0.00 0.00 39.48 37.78 1rnr n PHE 47 CO 0.00 0.00 0.00 1.67 -0.76 0.00 0.00 176.76 177.67 1rnr s TRP 48 N 0.11 0.05 -0.11 -5.13 1.48 -1.26 -5.11 118.94 108.96 1rnr s TRP 48 Ca 0.72 -0.25 0.03 0.00 -1.06 0.00 0.00 56.10 55.54 1rnr s TRP 48 Cb -0.72 -0.02 -0.01 0.00 -1.16 0.00 0.00 33.47 31.56 1rnr s TRP 48 CO 0.48 -0.42 -0.20 1.03 -4.06 0.00 0.00 176.95 173.78 1rnr s ARG 49 N -2.48 3.13 0.44 3.25 0.52 -1.26 -5.03 118.95 117.52 1rnr s ARG 49 Ca -0.06 -0.81 0.14 0.00 -0.52 0.00 0.00 55.73 54.48 1rnr s ARG 49 Cb -0.01 -2.41 1.03 0.00 0.52 0.00 0.00 34.95 34.08 1rnr s ARG 49 CO -0.03 0.21 1.99 -1.00 0.02 0.00 0.00 175.30 176.49 1rnr h PRO 50 N 6.65 0.38 0.00 3.54 0.13 -1.94 -2.16 132.00 138.60 1rnr h PRO 50 Ca -0.22 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1rnr h PRO 50 Cb 1.23 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1rnr h PRO 50 CO 0.50 0.25 0.00 0.93 -0.23 0.00 0.00 178.00 179.46 1rnr h GLU 51 N 0.40 0.00 0.00 0.86 3.07 -1.95 -0.88 114.58 116.07 1rnr h GLU 51 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 1rnr h GLU 51 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1rnr h GLU 51 CO -0.07 0.00 0.00 1.05 -1.40 0.00 0.00 179.01 178.59 1rnr h GLU 52 N 0.00 0.00 -5.45 2.33 4.11 -1.83 -3.42 114.58 110.33 1rnr h GLU 52 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.83 1rnr h GLU 52 Cb 0.12 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.26 1rnr h GLU 52 CO 0.00 0.00 -0.24 0.08 0.07 0.00 0.00 179.01 178.92 1rnr s VAL 53 N -3.48 5.23 -0.35 -1.06 1.01 -0.34 -5.03 120.40 116.39 1rnr s VAL 53 Ca 0.03 0.66 -0.27 0.00 0.00 0.00 0.00 61.98 62.40 1rnr s VAL 53 Cb 0.09 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.79 1rnr s VAL 53 CO 0.49 0.30 0.96 -0.62 0.00 0.00 0.00 175.10 176.23 1rnr s ASP 54 N 0.87 6.76 -0.16 3.32 2.15 -1.26 -4.90 116.67 123.44 1rnr s ASP 54 Ca 0.18 0.74 0.18 0.00 0.43 0.00 0.00 52.55 54.08 1rnr s ASP 54 Cb -0.14 -2.48 0.42 0.00 -0.30 0.00 0.00 42.92 40.42 1rnr s ASP 54 CO 0.07 -0.83 1.30 1.33 -0.17 0.00 0.00 175.17 176.86 1rnr n VAL 55 N 5.89 2.12 -0.04 1.11 0.24 -1.26 -4.59 118.33 121.79 1rnr n VAL 55 Ca 0.08 -2.09 -0.09 0.00 -2.04 0.00 0.00 64.34 60.20 1rnr n VAL 55 Cb 0.48 -0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 32.57 1rnr n VAL 55 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1rnr h SER 56 N 0.97 0.15 0.33 -1.34 0.02 -1.91 -2.62 113.55 109.15 1rnr h SER 56 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1rnr h SER 56 Cb 1.25 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1rnr h SER 56 CO 0.12 0.12 0.00 -0.09 -1.14 0.00 0.00 176.83 175.84 1rnr h ARG 57 N 0.21 0.00 -0.08 3.45 1.12 -1.92 -2.01 114.38 115.16 1rnr h ARG 57 Ca 0.08 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.88 1rnr h ARG 57 Cb 0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 29.97 1rnr h ARG 57 CO -0.06 0.00 -0.28 -0.44 -3.11 0.00 0.00 179.97 176.08 1rnr h ASP 58 N 0.00 0.13 -0.87 -3.80 5.19 -1.72 -1.29 116.42 114.06 1rnr h ASP 58 Ca 0.00 -0.04 0.03 0.00 -0.62 0.00 0.00 57.03 56.40 1rnr h ASP 58 Cb 0.16 -0.04 -0.05 0.00 0.18 0.00 0.00 39.33 39.59 1rnr h ASP 58 CO 0.00 0.42 0.57 -0.09 -3.12 0.00 0.00 179.24 177.02 1rnr h ARG 59 N 0.12 1.08 -0.10 3.56 9.65 -1.44 0.22 114.38 127.47 1rnr h ARG 59 Ca 0.02 -0.07 -0.05 0.00 -1.10 0.00 0.00 59.98 58.79 1rnr h ARG 59 Cb 0.57 -0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1rnr h ARG 59 CO 0.04 0.72 -0.12 0.82 2.80 0.00 0.00 179.97 184.23 1rnr h ILE 60 N 1.12 1.37 -0.75 1.20 5.03 -1.41 -2.66 117.51 121.40 1rnr h ILE 60 Ca 0.34 -1.31 0.02 0.00 -0.12 0.00 0.00 64.86 63.79 1rnr h ILE 60 Cb -0.04 2.00 -0.04 0.00 -3.03 0.00 0.00 36.82 35.71 1rnr h ILE 60 CO -0.10 0.37 0.48 0.44 -0.68 0.00 0.00 178.15 178.66 1rnr h ASP 61 N -0.16 0.81 -0.38 1.72 5.19 -1.05 -1.85 116.42 120.71 1rnr h ASP 61 Ca 0.01 -0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.32 1rnr h ASP 61 Cb 0.66 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 1rnr h ASP 61 CO 0.03 0.57 -0.10 0.22 -3.12 0.00 0.00 179.24 176.84 1rnr h TYR 62 N 0.96 0.91 -0.48 4.55 3.20 -0.53 -2.24 116.97 123.34 1rnr h TYR 62 Ca 0.29 -0.17 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 1rnr h TYR 62 Cb -0.03 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 1rnr h TYR 62 CO -0.03 0.88 0.12 1.96 -1.64 0.00 0.00 178.16 179.45 1rnr h GLN 63 N 0.75 0.73 0.00 1.82 1.08 -1.13 -2.59 115.11 115.77 1rnr h GLN 63 Ca 0.13 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1rnr h GLN 63 Cb 0.59 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1rnr h GLN 63 CO 0.04 0.66 0.00 0.00 -0.95 0.00 0.00 178.83 178.58 1rnr h ALA 64 N 1.42 1.00 -2.39 3.87 0.00 -0.78 -3.47 119.26 118.92 1rnr h ALA 64 Ca 0.16 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.50 1rnr h ALA 64 Cb 0.26 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.12 1rnr h ALA 64 CO -0.00 0.00 0.74 1.28 0.00 0.00 0.00 179.25 181.26 1rnr n LEU 65 N -2.79 3.32 -3.57 0.00 4.32 -0.92 -4.88 117.00 112.49 1rnr n LEU 65 Ca 0.04 1.12 -0.35 0.00 -0.02 0.00 0.00 56.01 56.79 1rnr n LEU 65 Cb 0.44 -1.46 -0.09 0.00 -1.62 0.00 0.00 43.42 40.69 1rnr n LEU 65 CO 0.31 -0.29 1.28 -2.65 -1.22 0.00 0.00 177.39 174.82 1rnr n PRO 66 N 2.63 0.00 0.00 3.23 -0.02 -1.26 -4.58 135.00 135.00 1rnr n PRO 66 Ca 0.13 -0.80 0.00 0.00 -2.02 0.00 0.00 63.50 60.81 1rnr n PRO 66 Cb 0.31 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1rnr n PRO 66 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1rnr n GLU 67 N 7.08 0.00 0.22 -0.52 4.07 -1.26 -1.69 120.64 128.54 1rnr n GLU 67 Ca 0.37 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.53 1rnr n GLU 67 Cb 0.37 0.00 0.57 0.00 -0.06 0.00 0.00 31.44 32.32 1rnr n GLU 67 CO 0.00 0.00 0.00 1.12 -0.06 0.00 0.00 177.13 178.19 1rnr h HIS 68 N 0.00 0.06 -0.05 4.31 2.07 -1.88 -1.16 115.15 118.49 1rnr h HIS 68 Ca 0.00 -0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.34 1rnr h HIS 68 Cb 0.00 -0.02 -0.01 0.00 2.57 0.00 0.00 27.41 29.95 1rnr h HIS 68 CO 0.00 0.10 -0.75 0.93 -3.07 0.00 0.00 177.93 175.15 1rnr h GLU 69 N 0.06 0.31 -0.26 5.12 5.08 -1.65 -0.08 114.58 123.15 1rnr h GLU 69 Ca 0.01 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1rnr h GLU 69 Cb 0.12 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1rnr h GLU 69 CO 0.01 0.92 0.13 0.87 -1.00 0.00 0.00 179.01 179.94 1rnr h LYS 70 N 0.20 0.37 -0.11 2.33 1.57 -1.60 -1.61 116.57 117.72 1rnr h LYS 70 Ca -0.03 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1rnr h LYS 70 Cb 1.32 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.52 1rnr h LYS 70 CO 0.12 0.35 -0.10 1.25 -0.57 0.00 0.00 179.45 180.50 1rnr h HIS 71 N 0.30 -0.25 -0.51 -1.35 2.76 -1.07 -0.45 115.15 114.58 1rnr h HIS 71 Ca 0.09 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.30 1rnr h HIS 71 Cb 0.10 0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.15 1rnr h HIS 71 CO -0.03 -0.15 0.31 0.82 -1.30 0.00 0.00 177.93 177.58 1rnr h ILE 72 N -0.12 1.06 -0.00 6.26 2.04 -0.89 0.11 117.51 125.97 1rnr h ILE 72 Ca 0.08 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1rnr h ILE 72 Cb 0.23 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1rnr h ILE 72 CO -0.18 0.11 0.00 0.15 0.00 0.00 0.00 178.15 178.23 1rnr h PHE 73 N 0.62 0.00 0.00 1.37 3.57 -0.96 -2.62 116.94 118.92 1rnr h PHE 73 Ca 0.20 -0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.52 1rnr h PHE 73 Cb 0.01 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1rnr h PHE 73 CO -0.06 0.20 -0.87 0.97 -2.23 0.00 0.00 178.31 176.32 1rnr h ILE 74 N -0.20 1.61 -0.54 1.41 6.09 -0.92 -1.86 117.51 123.10 1rnr h ILE 74 Ca 0.00 -2.93 -0.08 0.00 -1.37 0.00 0.00 64.86 60.47 1rnr h ILE 74 Cb 0.20 2.59 -0.02 0.00 0.47 0.00 0.00 36.82 40.07 1rnr h ILE 74 CO -0.00 0.84 0.00 0.28 -3.07 0.00 0.00 178.15 176.20 1rnr h SER 75 N 0.01 0.88 -0.00 2.19 0.02 -0.94 0.05 113.55 115.77 1rnr h SER 75 Ca -0.02 -0.23 -0.17 0.00 -0.84 0.00 0.00 61.79 60.54 1rnr h SER 75 Cb 1.54 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.84 1rnr h SER 75 CO 0.12 0.94 -0.57 -1.13 -1.14 0.00 0.00 176.83 175.05 1rnr h ASN 76 N 0.84 0.66 -0.29 3.07 -1.24 -1.35 -2.30 115.58 114.98 1rnr h ASN 76 Ca 0.16 -0.36 -0.03 0.00 0.71 0.00 0.00 56.30 56.77 1rnr h ASN 76 Cb 0.50 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.34 1rnr h ASN 76 CO 0.02 1.09 0.06 0.25 -1.29 0.00 0.00 177.43 177.57 1rnr h LEU 77 N 0.45 0.44 -0.93 0.34 5.85 -0.87 -0.71 115.31 119.88 1rnr h LEU 77 Ca 0.00 -0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.56 1rnr h LEU 77 Cb 1.13 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.97 1rnr h LEU 77 CO 0.11 0.57 0.58 0.11 -0.34 0.00 0.00 178.44 179.47 1rnr h LYS 78 N 0.30 0.99 -0.32 1.25 1.57 -0.96 0.39 116.57 119.78 1rnr h LYS 78 Ca 0.09 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 1rnr h LYS 78 Cb 0.30 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1rnr h LYS 78 CO 0.00 0.65 -0.38 -0.92 -0.57 0.00 0.00 179.45 178.23 1rnr h TYR 79 N 1.02 0.91 -0.63 -1.35 3.20 -1.13 -2.11 116.97 116.88 1rnr h TYR 79 Ca 0.42 -0.27 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1rnr h TYR 79 Cb 0.25 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 1rnr h TYR 79 CO -0.02 1.03 0.26 1.96 -1.64 0.00 0.00 178.16 179.75 1rnr h GLN 80 N 0.63 0.94 -0.66 1.82 4.20 0.04 -2.20 115.11 119.87 1rnr h GLN 80 Ca 0.05 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1rnr h GLN 80 Cb 0.93 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 1rnr h GLN 80 CO 0.09 0.78 0.37 1.15 -0.67 0.00 0.00 178.83 180.55 1rnr h THR 81 N 0.88 1.20 -0.07 -0.54 2.02 -0.92 -2.18 112.91 113.31 1rnr h THR 81 Ca 0.21 -0.50 0.02 0.00 0.77 0.00 0.00 66.41 66.90 1rnr h THR 81 Cb 0.19 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1rnr h THR 81 CO -0.02 0.22 -0.05 0.25 0.37 0.00 0.00 175.52 176.30 1rnr h LEU 82 N 0.90 -0.14 -0.24 2.58 5.85 -1.06 -1.93 115.31 121.27 1rnr h LEU 82 Ca 0.23 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 1rnr h LEU 82 Cb 0.03 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1rnr h LEU 82 CO -0.04 -0.06 0.14 -0.07 -0.34 0.00 0.00 178.44 178.07 1rnr h LEU 83 N -0.05 0.29 -1.33 2.25 3.38 -1.19 -2.18 115.31 116.48 1rnr h LEU 83 Ca 0.04 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1rnr h LEU 83 Cb 0.11 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1rnr h LEU 83 CO -0.10 0.26 -0.19 0.44 0.09 0.00 0.00 178.44 178.94 1rnr h ASP 84 N 0.30 0.00 -0.58 -0.43 3.32 -1.39 0.63 116.42 118.27 1rnr h ASP 84 Ca 0.09 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 1rnr h ASP 84 Cb 0.02 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1rnr h ASP 84 CO -0.02 0.19 0.11 0.28 -1.72 0.00 0.00 179.24 178.08 1rnr h SER 85 N 0.00 0.90 -0.12 6.45 0.02 -0.73 0.14 113.55 120.21 1rnr h SER 85 Ca -0.00 -0.25 -0.16 0.00 -0.84 0.00 0.00 61.79 60.54 1rnr h SER 85 Cb 0.64 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1rnr h SER 85 CO 0.02 0.92 -0.50 0.40 -1.14 0.00 0.00 176.83 176.54 1rnr h ILE 86 N 0.84 1.30 0.00 3.27 2.04 -1.07 -3.25 117.51 120.64 1rnr h ILE 86 Ca 0.18 -1.70 -0.10 0.00 1.00 0.00 0.00 64.86 64.23 1rnr h ILE 86 Cb 0.39 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1rnr h ILE 86 CO 0.01 0.54 -0.48 1.56 0.00 0.00 0.00 178.15 179.78 1rnr h GLN 87 N 0.54 0.00 0.42 2.37 1.08 -0.45 -1.48 115.11 117.59 1rnr h GLN 87 Ca 0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1rnr h GLN 87 Cb 1.05 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.48 1rnr h GLN 87 CO 0.10 0.48 -0.26 0.78 -0.95 0.00 0.00 178.83 178.98 1rnr h GLY 88 N 3.21 -0.68 0.82 3.46 0.00 -0.77 -3.38 103.07 105.73 1rnr h GLY 88 Ca -0.00 0.29 -0.36 0.00 0.00 0.00 0.00 47.33 47.26 1rnr h GLY 88 CO 0.06 -0.26 -1.83 0.07 0.00 0.00 0.00 176.54 174.58 1rnr h ARG 89 N -0.65 0.34 -0.46 4.80 0.11 -1.62 -3.43 114.38 113.48 1rnr h ARG 89 Ca -0.05 -0.59 -0.11 0.00 0.10 0.00 0.00 59.98 59.34 1rnr h ARG 89 Cb 0.54 0.22 -0.01 0.00 1.11 0.00 0.00 29.97 31.82 1rnr h ARG 89 CO 0.04 1.27 -0.15 0.77 0.10 0.00 0.00 179.97 182.01 1rnr h SER 90 N 0.09 0.92 -0.94 0.08 0.02 -1.44 -1.80 113.55 110.49 1rnr h SER 90 Ca -0.37 -0.38 0.25 0.00 -0.84 0.00 0.00 61.79 60.45 1rnr h SER 90 Cb 2.08 -0.25 -0.13 0.00 0.14 0.00 0.00 62.40 64.23 1rnr h SER 90 CO 0.15 1.09 0.44 -0.65 -1.14 0.00 0.00 176.83 176.71 1rnr h PRO 91 N 0.75 0.37 0.01 3.45 0.11 -1.79 0.88 132.00 135.77 1rnr h PRO 91 Ca 0.11 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1rnr h PRO 91 Cb 0.71 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1rnr h PRO 91 CO 0.05 0.24 -0.00 -0.91 -0.21 0.00 0.00 178.00 177.17 1rnr h ASN 92 N 0.38 -0.01 0.99 -2.05 2.35 -1.71 0.11 115.58 115.64 1rnr h ASN 92 Ca 0.61 -0.66 -0.13 0.00 -0.55 0.00 0.00 56.30 55.57 1rnr h ASN 92 Cb 1.24 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.60 1rnr h ASN 92 CO -0.56 0.66 -0.63 -0.37 -1.65 0.00 0.00 177.43 174.89 1rnr h VAL 93 N -0.69 1.23 0.08 2.81 -1.51 -1.13 -3.23 116.25 113.80 1rnr h VAL 93 Ca -0.00 -2.33 -0.34 0.00 -1.23 0.00 0.00 66.70 62.80 1rnr h VAL 93 Cb 0.67 2.34 -0.03 0.00 -2.13 0.00 0.00 31.29 32.14 1rnr h VAL 93 CO 0.00 0.61 -1.89 0.00 -1.23 0.00 0.00 177.57 175.07 1rnr n ALA 94 N -2.32 1.13 -0.09 5.19 0.00 0.28 -4.64 120.51 120.06 1rnr n ALA 94 Ca 0.00 -0.66 -0.11 0.00 0.00 0.00 0.00 53.44 52.67 1rnr n ALA 94 Cb 0.70 -0.75 -0.11 0.00 0.00 0.00 0.00 19.45 19.30 1rnr n ALA 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rnr n LEU 95 N -3.31 1.72 -0.31 0.00 4.77 0.39 -4.50 117.00 115.76 1rnr n LEU 95 Ca -0.26 -0.06 0.12 0.00 -0.03 0.00 0.00 56.01 55.77 1rnr n LEU 95 Cb 1.05 -0.24 0.29 0.00 -2.33 0.00 0.00 43.42 42.19 1rnr n LEU 95 CO 0.44 0.65 1.09 -0.07 -1.33 0.00 0.00 177.39 178.16 1rnr h LEU 96 N 0.00 0.46 0.00 2.23 3.38 -1.56 -0.17 115.31 119.66 1rnr h LEU 96 Ca -0.44 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1rnr h LEU 96 Cb 1.81 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.63 1rnr h LEU 96 CO -0.03 0.10 0.00 -2.65 0.09 0.00 0.00 178.44 175.95 1rnr n PRO 97 N -4.95 0.01 -0.00 1.13 -0.02 -1.26 -2.91 135.00 126.99 1rnr n PRO 97 Ca 0.21 0.35 0.04 0.00 -2.02 0.00 0.00 63.50 62.08 1rnr n PRO 97 Cb 0.58 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.52 1rnr n PRO 97 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1rnr n LEU 98 N -1.49 0.32 -4.74 2.45 4.77 -0.09 -4.98 117.00 113.25 1rnr n LEU 98 Ca 0.02 -0.44 -0.41 0.00 -0.03 0.00 0.00 56.01 55.15 1rnr n LEU 98 Cb 0.09 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 1rnr n LEU 98 CO 0.08 0.08 0.81 -0.63 -1.33 0.00 0.00 177.39 176.40 1rnr s ILE 99 N -1.84 3.68 -0.45 -0.08 1.01 -1.14 -0.52 121.20 121.85 1rnr s ILE 99 Ca 0.02 1.51 0.04 0.00 0.00 0.00 0.00 60.65 62.22 1rnr s ILE 99 Cb 0.06 -3.96 0.04 0.00 0.01 0.00 0.00 42.46 38.61 1rnr s ILE 99 CO 0.32 0.29 0.70 -1.20 0.00 0.00 0.00 174.94 175.05 1rnr n SER 100 N 2.02 1.49 -4.18 3.58 7.64 -0.01 -4.09 113.62 120.08 1rnr n SER 100 Ca 0.02 -1.30 -0.28 0.00 1.01 0.00 0.00 58.87 58.31 1rnr n SER 100 Cb 0.45 -0.01 -0.16 0.00 -1.01 0.00 0.00 64.21 63.48 1rnr n SER 100 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1rnr s ILE 101 N -0.44 1.66 0.21 0.44 -4.36 -1.26 -4.56 121.20 112.90 1rnr s ILE 101 Ca 0.05 -0.84 -0.09 0.00 -0.26 0.00 0.00 60.65 59.52 1rnr s ILE 101 Cb 0.03 -1.42 0.15 0.00 1.25 0.00 0.00 42.46 42.48 1rnr s ILE 101 CO 0.05 0.47 1.81 1.55 0.24 0.00 0.00 174.94 179.06 1rnr h PRO 102 N 6.25 0.68 -0.42 0.37 0.13 -1.88 -2.81 132.00 134.32 1rnr h PRO 102 Ca -0.31 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 1rnr h PRO 102 Cb 1.18 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 1rnr h PRO 102 CO 0.47 0.45 0.20 1.05 -0.23 0.00 0.00 178.00 179.95 1rnr h GLU 103 N 0.70 0.58 0.00 0.86 9.09 -1.93 0.60 114.58 124.48 1rnr h GLU 103 Ca 0.31 -0.06 -0.11 0.00 0.05 0.00 0.00 59.36 59.55 1rnr h GLU 103 Cb 0.21 -0.12 -0.02 0.00 -1.65 0.00 0.00 28.75 27.18 1rnr h GLU 103 CO -0.19 0.45 -0.53 1.25 0.05 0.00 0.00 179.01 180.03 1rnr h LEU 104 N 0.58 0.00 -0.22 3.06 5.85 -1.87 -0.01 115.31 122.71 1rnr h LEU 104 Ca 0.15 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 1rnr h LEU 104 Cb 0.06 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 1rnr h LEU 104 CO -0.02 0.53 -0.29 -0.08 -0.34 0.00 0.00 178.44 178.24 1rnr h GLU 105 N 0.00 0.58 0.00 1.25 4.81 -0.74 -0.77 114.58 119.71 1rnr h GLU 105 Ca -0.01 -0.33 -0.15 0.00 -0.13 0.00 0.00 59.36 58.74 1rnr h GLU 105 Cb 1.20 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 1rnr h GLU 105 CO 0.07 0.94 -0.73 1.15 -0.73 0.00 0.00 179.01 179.71 1rnr h THR 106 N 0.26 1.42 -0.27 0.32 2.02 -0.93 -2.74 112.91 112.98 1rnr h THR 106 Ca 0.02 -2.58 -0.05 0.00 0.77 0.00 0.00 66.41 64.58 1rnr h THR 106 Cb 0.87 2.43 -0.01 0.00 -1.74 0.00 0.00 68.15 69.70 1rnr h THR 106 CO 0.07 0.71 -0.01 -0.25 0.37 0.00 0.00 175.52 176.42 1rnr h TRP 107 N 0.00 0.53 -0.01 3.16 -0.00 -0.84 -0.65 115.95 118.14 1rnr h TRP 107 Ca -0.01 -0.09 0.00 0.00 -0.00 0.00 0.00 58.89 58.79 1rnr h TRP 107 Cb 1.38 -0.14 -0.00 0.00 -0.00 0.00 0.00 29.16 30.40 1rnr h TRP 107 CO 0.00 0.64 0.01 0.28 -0.00 0.00 0.00 178.44 179.37 1rnr h VAL 108 N 0.27 0.97 0.09 2.65 2.07 -1.05 0.62 116.25 121.87 1rnr h VAL 108 Ca 0.08 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.33 1rnr h VAL 108 Cb 0.43 1.00 0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1rnr h VAL 108 CO 0.02 0.00 -1.15 -0.33 0.02 0.00 0.00 177.57 176.13 1rnr h GLU 109 N 0.00 0.36 -0.32 1.57 5.08 -1.29 -1.25 114.58 118.74 1rnr h GLU 109 Ca 0.00 -0.51 -0.16 0.00 -1.00 0.00 0.00 59.36 57.69 1rnr h GLU 109 Cb 0.01 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1rnr h GLU 109 CO -0.00 1.20 -0.44 1.15 -1.00 0.00 0.00 179.01 179.92 1rnr h THR 110 N 0.15 1.28 0.93 1.13 2.02 0.34 -2.03 112.91 116.72 1rnr h THR 110 Ca -0.13 -1.62 -0.05 0.00 0.77 0.00 0.00 66.41 65.39 1rnr h THR 110 Cb 1.83 1.55 0.01 0.00 -1.74 0.00 0.00 68.15 69.81 1rnr h THR 110 CO 0.20 0.53 -0.45 -0.25 0.37 0.00 0.00 175.52 175.92 1rnr h TRP 111 N 0.64 -1.16 -0.70 3.16 7.01 -0.99 0.10 115.95 124.01 1rnr h TRP 111 Ca 0.04 -0.03 0.11 0.00 2.11 0.00 0.00 58.89 61.12 1rnr h TRP 111 Cb 1.04 0.38 -0.08 0.00 -2.10 0.00 0.00 29.16 28.40 1rnr h TRP 111 CO 0.07 -0.72 0.29 0.00 -2.79 0.00 0.00 178.44 175.29 1rnr h ALA 112 N -1.23 0.95 -0.65 2.65 0.00 -1.28 -1.24 119.26 118.46 1rnr h ALA 112 Ca -0.13 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1rnr h ALA 112 Cb 0.96 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1rnr h ALA 112 CO 0.21 -0.16 0.40 0.35 0.00 0.00 0.00 179.25 180.04 1rnr h PHE 113 N 0.47 0.74 0.00 0.00 3.57 -1.15 -1.19 116.94 119.38 1rnr h PHE 113 Ca 0.36 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.85 1rnr h PHE 113 Cb 0.48 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1rnr h PHE 113 CO -0.15 0.41 -0.17 0.66 -2.23 0.00 0.00 178.31 176.82 1rnr h SER 114 N 0.77 0.00 0.13 0.41 4.64 0.35 -2.03 113.55 117.82 1rnr h SER 114 Ca 0.27 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.53 1rnr h SER 114 Cb 0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1rnr h SER 114 CO -0.12 0.17 -0.22 -0.33 -0.87 0.00 0.00 176.83 175.46 1rnr h GLU 115 N 0.00 0.18 0.00 4.77 4.39 -0.46 -2.13 114.58 121.33 1rnr h GLU 115 Ca -0.00 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 1rnr h GLU 115 Cb 0.49 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1rnr h GLU 115 CO 0.02 0.40 -0.36 1.79 -1.16 0.00 0.00 179.01 179.71 1rnr h THR 116 N 0.16 0.46 -0.31 1.13 1.35 -0.91 -1.62 112.91 113.16 1rnr h THR 116 Ca 0.03 -1.66 -0.12 0.00 -0.55 0.00 0.00 66.41 64.11 1rnr h THR 116 Cb 0.49 2.19 -0.01 0.00 -1.73 0.00 0.00 68.15 69.10 1rnr h THR 116 CO 0.03 0.26 -0.31 0.40 -0.25 0.00 0.00 175.52 175.66 1rnr h ILE 117 N 0.00 1.28 -0.54 6.82 1.08 -1.15 -1.63 117.51 123.37 1rnr h ILE 117 Ca -0.01 -1.43 -0.08 0.00 -0.39 0.00 0.00 64.86 62.95 1rnr h ILE 117 Cb 1.22 1.37 -0.02 0.00 -3.07 0.00 0.00 36.82 36.32 1rnr h ILE 117 CO 0.03 0.46 0.04 0.45 -0.69 0.00 0.00 178.15 178.45 1rnr h HIS 118 N 0.56 1.00 -0.62 1.37 3.86 -0.73 -0.21 115.15 120.38 1rnr h HIS 118 Ca 0.07 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 1rnr h HIS 118 Cb 0.81 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.98 1rnr h HIS 118 CO 0.04 0.90 0.30 0.77 0.86 0.00 0.00 177.93 180.80 1rnr h SER 119 N 0.81 0.79 -0.54 2.45 0.02 -1.20 -1.76 113.55 114.12 1rnr h SER 119 Ca 0.16 -0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 1rnr h SER 119 Cb 0.48 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1rnr h SER 119 CO 0.02 0.68 -0.01 -0.09 -1.14 0.00 0.00 176.83 176.28 1rnr h ARG 120 N 0.88 0.99 -0.71 3.45 2.43 -0.68 -2.90 114.38 117.85 1rnr h ARG 120 Ca 0.22 -0.31 0.10 0.00 -0.81 0.00 0.00 59.98 59.18 1rnr h ARG 120 Cb 0.09 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.47 1rnr h ARG 120 CO -0.03 0.99 0.33 0.77 -1.51 0.00 0.00 179.97 180.52 1rnr h SER 121 N 0.91 0.41 0.10 -3.80 0.02 -0.19 -2.07 113.55 108.93 1rnr h SER 121 Ca 0.16 0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 61.08 1rnr h SER 121 Cb 0.55 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1rnr h SER 121 CO 0.03 0.22 -0.33 1.88 -1.14 0.00 0.00 176.83 177.49 1rnr h TYR 122 N 0.56 0.39 -0.38 3.45 0.05 -1.24 0.17 116.97 119.97 1rnr h TYR 122 Ca 0.36 -0.09 -0.07 0.00 0.05 0.00 0.00 58.73 58.97 1rnr h TYR 122 Cb 0.41 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 1rnr h TYR 122 CO -0.12 0.64 -0.03 1.15 -1.05 0.00 0.00 178.16 178.75 1rnr h THR 123 N 0.30 1.27 -0.76 -2.88 2.02 -1.34 -0.30 112.91 111.21 1rnr h THR 123 Ca 0.04 -1.06 0.02 0.00 0.77 0.00 0.00 66.41 66.18 1rnr h THR 123 Cb 0.74 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 1rnr h THR 123 CO 0.06 0.35 0.49 -0.74 0.37 0.00 0.00 175.52 176.05 1rnr h HIS 124 N 0.51 0.93 0.44 3.16 -0.00 -0.65 -0.67 115.15 118.86 1rnr h HIS 124 Ca 0.10 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.48 1rnr h HIS 124 Cb 0.52 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 1rnr h HIS 124 CO 0.04 0.55 -0.21 0.82 -0.00 0.00 0.00 177.93 179.14 1rnr h ILE 125 N 0.98 0.39 -0.44 6.26 2.04 -0.74 -2.99 117.51 123.01 1rnr h ILE 125 Ca 0.29 -0.55 0.07 0.00 1.00 0.00 0.00 64.86 65.68 1rnr h ILE 125 Cb -0.04 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.55 1rnr h ILE 125 CO -0.09 0.07 0.10 0.40 0.00 0.00 0.00 178.15 178.64 1rnr h ILE 126 N -0.98 0.78 -0.41 -0.67 2.04 -0.89 -1.32 117.51 116.05 1rnr h ILE 126 Ca -0.06 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1rnr h ILE 126 Cb 0.57 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1rnr h ILE 126 CO 0.10 0.04 0.08 0.08 0.00 0.00 0.00 178.15 178.46 1rnr h ARG 127 N 0.25 0.62 0.00 2.37 0.11 -1.23 -1.50 114.38 115.00 1rnr h ARG 127 Ca 0.22 -0.12 -0.05 0.00 0.10 0.00 0.00 59.98 60.13 1rnr h ARG 127 Cb 0.26 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.23 1rnr h ARG 127 CO -0.27 0.58 -0.25 -0.91 0.10 0.00 0.00 179.97 179.23 1rnr h ASN 128 N 0.60 0.00 0.00 0.08 4.21 -1.10 -3.37 115.58 116.01 1rnr h ASN 128 Ca 0.14 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.65 1rnr h ASN 128 Cb 0.26 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 1rnr h ASN 128 CO -0.00 0.25 -1.17 2.30 -1.29 0.00 0.00 177.43 177.52 1rnr n ILE 129 N -3.35 0.00 0.09 2.81 -5.35 -0.64 -4.47 119.36 108.44 1rnr n ILE 129 Ca 0.01 -0.24 0.01 0.00 -0.27 0.00 0.00 62.75 62.26 1rnr n ILE 129 Cb 0.47 0.47 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 1rnr n ILE 129 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 1rnr n VAL 130 N -1.67 0.00 0.00 7.28 3.14 -0.73 -4.79 118.33 121.56 1rnr n VAL 130 Ca -0.01 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.89 1rnr n VAL 130 Cb 0.22 1.03 0.00 0.00 -1.06 0.00 0.00 33.84 34.03 1rnr n VAL 130 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1rnr n ASN 131 N -0.25 0.00 -3.83 6.55 5.03 -1.26 -4.64 115.26 116.85 1rnr n ASN 131 Ca 0.01 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.16 1rnr n ASN 131 Cb 0.05 0.00 -0.14 0.00 -1.02 0.00 0.00 39.78 38.67 1rnr n ASN 131 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1rnr s ASP 132 N 0.00 4.05 0.42 6.41 -1.08 -1.26 -5.00 116.67 120.21 1rnr s ASP 132 Ca 0.00 -2.61 0.15 0.00 -0.52 0.00 0.00 52.55 49.57 1rnr s ASP 132 Cb 0.00 -1.30 1.02 0.00 -1.46 0.00 0.00 42.92 41.18 1rnr s ASP 132 CO 0.00 -0.28 1.92 -0.65 0.52 0.00 0.00 175.17 176.68 1rnr h PRO 133 N 6.88 0.43 -0.07 4.34 0.11 -1.89 -2.45 132.00 139.35 1rnr h PRO 133 Ca -0.05 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.05 1rnr h PRO 133 Cb 0.93 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 1rnr h PRO 133 CO 0.56 0.29 0.08 0.77 -0.21 0.00 0.00 178.00 179.49 1rnr h SER 134 N 0.45 0.00 -0.42 -2.05 0.02 -1.98 -0.25 113.55 109.32 1rnr h SER 134 Ca 0.37 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.20 1rnr h SER 134 Cb 0.79 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 1rnr h SER 134 CO -0.12 0.00 -0.18 0.58 -1.14 0.00 0.00 176.83 175.97 1rnr h VAL 135 N 0.00 1.28 0.16 2.27 2.07 -1.87 -1.02 116.25 119.14 1rnr h VAL 135 Ca 0.04 -1.32 -0.29 0.00 0.82 0.00 0.00 66.70 65.94 1rnr h VAL 135 Cb 0.20 1.25 0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1rnr h VAL 135 CO -0.00 0.45 -1.44 1.62 0.02 0.00 0.00 177.57 178.21 1rnr h VAL 136 N 0.68 1.10 -0.97 2.57 3.04 -1.28 -3.22 116.25 118.17 1rnr h VAL 136 Ca 0.09 -2.49 0.00 0.00 -1.01 0.00 0.00 66.70 63.30 1rnr h VAL 136 Cb 0.74 2.84 -0.05 0.00 -2.01 0.00 0.00 31.29 32.81 1rnr h VAL 136 CO 0.06 0.77 0.62 -0.26 -1.01 0.00 0.00 177.57 177.74 1rnr h PHE 137 N -0.13 1.25 0.00 3.17 0.04 -1.20 -2.17 116.94 117.89 1rnr h PHE 137 Ca -0.29 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.43 1rnr h PHE 137 Cb 1.90 -0.42 -0.01 0.00 2.20 0.00 0.00 35.95 39.62 1rnr h PHE 137 CO 0.13 0.81 -0.30 -0.44 -0.60 0.00 0.00 178.31 177.90 1rnr h ASP 138 N 1.33 0.00 0.52 2.17 3.32 -1.31 -2.83 116.42 119.62 1rnr h ASP 138 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1rnr h ASP 138 Cb -0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1rnr h ASP 138 CO -0.07 0.30 0.00 -0.67 -1.72 0.00 0.00 179.24 177.08 1rnr n ASP 139 N -3.49 0.00 -0.08 6.45 2.03 -0.82 -3.14 116.55 117.49 1rnr n ASP 139 Ca -0.00 0.28 -0.13 0.00 0.52 0.00 0.00 54.79 55.46 1rnr n ASP 139 Cb 0.46 -0.40 -0.05 0.00 -0.72 0.00 0.00 41.12 40.41 1rnr n ASP 139 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1rnr h ILE 140 N 0.00 1.31 -0.13 5.18 2.04 -1.51 -2.25 117.51 122.14 1rnr h ILE 140 Ca 0.00 -1.28 -0.06 0.00 1.00 0.00 0.00 64.86 64.53 1rnr h ILE 140 Cb 0.26 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1rnr h ILE 140 CO 0.00 0.40 -0.13 0.58 0.00 0.00 0.00 178.15 179.00 1rnr h VAL 141 N 0.26 1.35 0.00 1.67 2.07 -1.74 -3.32 116.25 116.54 1rnr h VAL 141 Ca 0.05 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1rnr h VAL 141 Cb 0.69 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1rnr h VAL 141 CO 0.04 0.38 -1.30 0.35 0.02 0.00 0.00 177.57 177.06 1rnr n THR 142 N -4.58 0.18 -1.68 2.57 -2.24 -1.25 -4.90 114.28 102.39 1rnr n THR 142 Ca -0.06 -0.35 -0.46 0.00 -2.27 0.00 0.00 64.05 60.91 1rnr n THR 142 Cb 0.35 0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.67 1rnr n THR 142 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1rnr n ASN 143 N -2.12 3.68 -0.14 3.42 2.85 -0.85 -4.86 115.26 117.23 1rnr n ASN 143 Ca 0.00 0.96 -0.03 0.00 -0.11 0.00 0.00 54.58 55.40 1rnr n ASN 143 Cb 0.48 -1.43 0.05 0.00 1.24 0.00 0.00 39.78 40.13 1rnr n ASN 143 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1rnr h GLU 144 N 9.44 0.17 -0.27 1.20 5.08 -1.91 -2.22 114.58 126.07 1rnr h GLU 144 Ca -0.49 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 57.69 1rnr h GLU 144 Cb 1.26 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1rnr h GLU 144 CO 0.94 0.11 -0.52 1.96 -1.00 0.00 0.00 179.01 180.51 1rnr h GLN 145 N 0.18 0.78 -0.56 2.33 1.08 -1.98 -0.92 115.11 116.01 1rnr h GLN 145 Ca 0.23 -0.48 -0.02 0.00 -1.45 0.00 0.00 58.65 56.93 1rnr h GLN 145 Cb 0.31 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 1rnr h GLN 145 CO -0.33 1.10 0.28 0.82 -0.95 0.00 0.00 178.83 179.76 1rnr h ILE 146 N 0.60 1.20 -0.32 2.54 1.08 -1.83 -1.18 117.51 119.60 1rnr h ILE 146 Ca 0.02 -0.54 -0.04 0.00 -0.39 0.00 0.00 64.86 63.91 1rnr h ILE 146 Cb 1.10 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 35.36 1rnr h ILE 146 CO 0.11 0.22 0.01 1.56 -0.69 0.00 0.00 178.15 179.36 1rnr h GLN 147 N 0.76 0.48 -0.46 2.37 4.20 -1.18 0.37 115.11 121.65 1rnr h GLN 147 Ca 0.19 -0.09 -0.13 0.00 0.06 0.00 0.00 58.65 58.68 1rnr h GLN 147 Cb 0.09 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1rnr h GLN 147 CO -0.03 0.50 -0.21 0.87 -0.67 0.00 0.00 178.83 179.30 1rnr h LYS 148 N 0.47 0.95 -0.13 1.46 1.57 -0.37 -0.77 116.57 119.75 1rnr h LYS 148 Ca 0.10 -0.41 -0.05 0.00 -1.87 0.00 0.00 60.65 58.42 1rnr h LYS 148 Cb 0.29 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1rnr h LYS 148 CO 0.01 1.08 -0.10 -0.09 -0.57 0.00 0.00 179.45 179.78 1rnr h ARG 149 N 0.80 0.29 0.00 3.15 2.43 -0.91 -3.11 114.38 117.03 1rnr h ARG 149 Ca 0.10 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1rnr h ARG 149 Cb 0.79 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1rnr h ARG 149 CO 0.07 0.67 0.00 0.00 -1.51 0.00 0.00 179.97 179.19 1rnr n ALA 150 N -2.39 2.41 -1.65 2.80 0.00 0.09 -4.87 120.51 116.90 1rnr n ALA 150 Ca -0.06 -0.15 -0.50 0.00 0.00 0.00 0.00 53.44 52.73 1rnr n ALA 150 Cb 0.32 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 1rnr n ALA 150 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1rnr n GLU 151 N -1.14 1.62 0.00 0.00 4.07 -0.30 -1.57 120.64 123.32 1rnr n GLU 151 Ca 0.16 0.59 0.00 0.00 -0.06 0.00 0.00 57.16 57.85 1rnr n GLU 151 Cb 0.15 -2.31 0.00 0.00 -0.06 0.00 0.00 31.44 29.22 1rnr n GLU 151 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1rnr n GLY 152 N 3.35 3.01 0.05 8.31 0.00 -1.26 -4.95 105.19 113.70 1rnr n GLY 152 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 1rnr n GLY 152 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1rnr h ILE 153 N 0.00 1.19 -0.51 -0.61 2.04 -1.66 -2.92 117.51 115.04 1rnr h ILE 153 Ca 0.00 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 1rnr h ILE 153 Cb 0.00 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1rnr h ILE 153 CO 0.00 0.15 0.17 0.28 0.00 0.00 0.00 178.15 178.75 1rnr h SER 154 N -0.21 0.68 -0.43 1.72 0.02 -1.93 -2.99 113.55 110.42 1rnr h SER 154 Ca 0.00 -0.09 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1rnr h SER 154 Cb 0.23 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 1rnr h SER 154 CO 0.00 0.64 0.18 0.28 -1.14 0.00 0.00 176.83 176.79 1rnr h SER 155 N 0.73 0.23 -0.23 3.07 0.02 -1.90 0.13 113.55 115.60 1rnr h SER 155 Ca 0.17 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1rnr h SER 155 Cb 0.20 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1rnr h SER 155 CO -0.01 0.17 0.07 1.88 -1.14 0.00 0.00 176.83 177.81 1rnr h TYR 156 N 0.37 0.37 0.19 3.45 0.05 -1.36 -1.41 116.97 118.63 1rnr h TYR 156 Ca 0.19 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1rnr h TYR 156 Cb 0.14 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 1rnr h TYR 156 CO -0.13 0.43 -0.17 1.88 -1.05 0.00 0.00 178.16 179.13 1rnr h TYR 157 N 0.21 -0.43 -0.75 4.88 0.05 -1.47 -2.07 116.97 117.38 1rnr h TYR 157 Ca 0.08 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.82 1rnr h TYR 157 Cb 0.23 0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 1rnr h TYR 157 CO 0.00 -0.25 0.35 -0.44 -1.05 0.00 0.00 178.16 176.76 1rnr h ASP 158 N -0.38 1.00 -0.55 3.88 3.32 -0.49 -0.53 116.42 122.68 1rnr h ASP 158 Ca -0.00 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.85 1rnr h ASP 158 Cb 0.35 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1rnr h ASP 158 CO -0.03 0.87 0.15 -0.33 -1.72 0.00 0.00 179.24 178.18 1rnr h GLU 159 N 1.07 0.91 -0.11 3.56 5.08 -1.28 -0.27 114.58 123.55 1rnr h GLU 159 Ca 0.26 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1rnr h GLU 159 Cb 0.15 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1rnr h GLU 159 CO -0.03 0.81 -0.13 1.25 -1.00 0.00 0.00 179.01 179.92 1rnr h LEU 160 N 0.88 0.29 -0.39 1.33 5.85 -0.56 -0.48 115.31 122.23 1rnr h LEU 160 Ca 0.19 -0.50 0.07 0.00 0.84 0.00 0.00 57.88 58.48 1rnr h LEU 160 Cb 0.31 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 1rnr h LEU 160 CO -0.00 0.74 -0.00 0.40 -0.34 0.00 0.00 178.44 179.23 1rnr h ILE 161 N -0.14 0.70 -0.57 4.05 2.04 -1.05 0.86 117.51 123.41 1rnr h ILE 161 Ca 0.01 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1rnr h ILE 161 Cb 0.66 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1rnr h ILE 161 CO 0.03 0.02 0.31 -0.08 0.00 0.00 0.00 178.15 178.43 1rnr h GLU 162 N 0.10 0.79 -0.62 2.37 4.81 -0.93 -1.91 114.58 119.20 1rnr h GLU 162 Ca 0.19 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 1rnr h GLU 162 Cb 0.27 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1rnr h GLU 162 CO -0.32 0.61 0.07 0.52 -0.73 0.00 0.00 179.01 179.16 1rnr h MET 163 N 0.76 1.04 -0.84 1.92 2.86 -0.74 -2.25 114.93 117.68 1rnr h MET 163 Ca 0.20 -0.28 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1rnr h MET 163 Cb 0.05 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 1rnr h MET 163 CO -0.03 0.97 0.41 1.15 1.06 0.00 0.00 176.91 180.47 1rnr h THR 164 N 0.97 1.26 -0.16 2.22 2.02 -0.41 -1.50 112.91 117.30 1rnr h THR 164 Ca 0.19 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 1rnr h THR 164 Cb 0.45 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1rnr h THR 164 CO 0.02 0.30 0.09 0.28 0.37 0.00 0.00 175.52 176.58 1rnr h SER 165 N 1.18 0.20 -0.25 4.18 0.02 -1.15 -0.81 113.55 116.92 1rnr h SER 165 Ca 0.29 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1rnr h SER 165 Cb 0.10 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1rnr h SER 165 CO -0.04 0.22 0.14 1.88 -1.14 0.00 0.00 176.83 177.90 1rnr h TYR 166 N 0.16 0.27 -0.22 3.45 0.05 -0.91 -1.95 116.97 117.81 1rnr h TYR 166 Ca 0.06 0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.89 1rnr h TYR 166 Cb 0.07 -0.09 -0.04 0.00 1.01 0.00 0.00 36.73 37.68 1rnr h TYR 166 CO -0.04 0.16 -0.06 2.35 -1.05 0.00 0.00 178.16 179.52 1rnr h TRP 167 N 0.30 -0.14 -0.06 4.88 7.01 -1.09 0.16 115.95 127.02 1rnr h TRP 167 Ca 0.10 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.04 1rnr h TRP 167 Cb -0.00 0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 1rnr h TRP 167 CO -0.08 -0.11 -0.35 0.45 -2.79 0.00 0.00 178.44 175.57 1rnr h HIS 168 N -0.01 0.13 0.00 2.65 3.86 -1.00 0.27 115.15 121.06 1rnr h HIS 168 Ca 0.11 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1rnr h HIS 168 Cb 0.18 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1rnr h HIS 168 CO -0.24 0.45 -0.00 -0.07 0.86 0.00 0.00 177.93 178.93 1rnr h LEU 169 N 0.10 -0.01 0.00 2.43 4.07 -0.90 -2.40 115.31 118.60 1rnr h LEU 169 Ca 0.01 -0.76 -0.05 0.00 0.08 0.00 0.00 57.88 57.16 1rnr h LEU 169 Cb 0.67 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 1rnr h LEU 169 CO 0.05 0.86 -1.83 0.18 -1.08 0.00 0.00 178.44 176.62 1rnr n LEU 170 N -4.66 0.00 0.00 1.67 4.32 0.52 -4.93 117.00 113.92 1rnr n LEU 170 Ca -0.08 0.00 0.08 0.00 -0.02 0.00 0.00 56.01 55.99 1rnr n LEU 170 Cb 0.37 0.07 -0.02 0.00 -1.62 0.00 0.00 43.42 42.22 1rnr n LEU 170 CO 0.26 0.07 -0.10 0.61 -1.22 0.00 0.00 177.39 177.01 1rnr n GLY 171 N 1.63 -2.09 3.77 -0.72 0.00 0.94 -4.86 105.19 103.86 1rnr n GLY 171 Ca -0.07 -1.37 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 1rnr n GLY 171 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rnr s GLU 172 N -1.41 3.15 0.00 1.61 2.02 -1.26 -4.68 118.70 118.12 1rnr s GLU 172 Ca 0.00 1.57 0.00 0.00 0.02 0.00 0.00 54.97 56.56 1rnr s GLU 172 Cb 0.00 -1.98 0.00 0.00 0.10 0.00 0.00 34.13 32.25 1rnr s GLU 172 CO 0.00 -1.01 0.00 0.41 0.02 0.00 0.00 175.26 174.68 1rnr n GLY 173 N 0.00 1.07 3.59 -1.39 0.00 -0.66 -4.92 105.19 102.89 1rnr n GLY 173 Ca 0.11 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 1rnr n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rnr s THR 174 N -1.03 4.66 0.28 2.61 2.01 -1.26 -0.29 115.64 122.61 1rnr s THR 174 Ca 0.00 -0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.00 1rnr s THR 174 Cb 0.00 -3.11 -0.06 0.00 0.01 0.00 0.00 72.50 69.34 1rnr s THR 174 CO 0.00 0.44 -0.08 -1.00 -0.69 0.00 0.00 174.62 173.29 1rnr s HIS 175 N 0.61 2.00 -0.08 4.92 3.76 0.15 -4.93 115.29 121.72 1rnr s HIS 175 Ca 0.03 -0.65 0.03 0.00 -0.15 0.00 0.00 55.06 54.32 1rnr s HIS 175 Cb -0.13 -1.11 -0.02 0.00 1.11 0.00 0.00 32.58 32.43 1rnr s HIS 175 CO 0.01 0.34 -0.15 0.95 -0.85 0.00 0.00 174.74 175.04 1rnr s THR 176 N -2.94 2.93 -0.24 1.30 -4.23 -1.26 -0.58 115.64 110.63 1rnr s THR 176 Ca 0.29 -0.75 -0.01 0.00 -1.18 0.00 0.00 61.69 60.05 1rnr s THR 176 Cb 0.03 -2.17 0.07 0.00 1.34 0.00 0.00 72.50 71.77 1rnr s THR 176 CO 0.12 0.57 0.01 -0.69 -0.54 0.00 0.00 174.62 174.09 1rnr s VAL 177 N -0.28 1.03 -1.48 2.29 1.01 0.68 -4.83 120.40 118.81 1rnr s VAL 177 Ca 0.02 -1.02 -0.08 0.00 0.00 0.00 0.00 61.98 60.89 1rnr s VAL 177 Cb -0.13 -1.49 0.06 0.00 0.00 0.00 0.00 36.38 34.82 1rnr s VAL 177 CO 0.03 -0.27 0.78 0.59 0.00 0.00 0.00 175.10 176.23 1rnr n ASN 178 N 4.84 -2.80 0.00 3.32 3.02 -1.26 -1.44 115.26 120.94 1rnr n ASN 178 Ca -0.08 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 1rnr n ASN 178 Cb 0.45 -3.60 0.00 0.00 -0.61 0.00 0.00 39.78 36.02 1rnr n ASN 178 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rnr n GLY 179 N -1.67 3.32 3.86 7.41 0.00 -1.26 -5.04 105.19 111.81 1rnr n GLY 179 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1rnr n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rnr s LYS 180 N -0.67 3.83 0.02 1.61 1.02 -0.52 -5.07 119.74 119.97 1rnr s LYS 180 Ca 0.00 0.28 -0.19 0.00 0.02 0.00 0.00 55.97 56.08 1rnr s LYS 180 Cb 0.00 -2.95 -0.06 0.00 -0.52 0.00 0.00 37.83 34.30 1rnr s LYS 180 CO 0.00 0.51 0.54 0.95 -0.92 0.00 0.00 175.35 176.44 1rnr s THR 181 N -1.45 4.87 -0.16 2.17 -4.23 -1.26 -0.23 115.64 115.34 1rnr s THR 181 Ca 0.36 1.14 0.00 0.00 -1.18 0.00 0.00 61.69 62.01 1rnr s THR 181 Cb -0.14 -3.87 0.03 0.00 1.34 0.00 0.00 72.50 69.86 1rnr s THR 181 CO 0.19 0.50 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.99 1rnr s VAL 182 N -0.71 1.32 -0.18 2.29 1.01 0.25 -4.92 120.40 119.47 1rnr s VAL 182 Ca 0.28 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 1rnr s VAL 182 Cb -0.18 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1rnr s VAL 182 CO 0.17 0.25 0.20 -0.89 0.00 0.00 0.00 175.10 174.83 1rnr s THR 183 N 1.56 5.37 -0.10 3.92 2.01 -1.26 -0.67 115.64 126.46 1rnr s THR 183 Ca 0.02 0.34 -0.01 0.00 0.31 0.00 0.00 61.69 62.35 1rnr s THR 183 Cb -0.14 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 1rnr s THR 183 CO -0.09 0.43 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.53 1rnr s VAL 184 N 0.35 3.86 -0.09 3.82 1.01 0.60 -4.97 120.40 124.97 1rnr s VAL 184 Ca 0.12 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 1rnr s VAL 184 Cb -0.12 -2.62 0.04 0.00 0.00 0.00 0.00 36.38 33.68 1rnr s VAL 184 CO 0.01 0.56 0.21 -0.55 0.00 0.00 0.00 175.10 175.33 1rnr s SER 185 N -0.39 -0.21 0.33 3.32 0.15 -1.26 -1.65 113.70 114.00 1rnr s SER 185 Ca 0.06 0.45 0.16 0.00 0.70 0.00 0.00 55.95 57.32 1rnr s SER 185 Cb -0.12 0.33 0.51 0.00 -1.71 0.00 0.00 66.02 65.03 1rnr s SER 185 CO 0.02 -0.16 1.66 0.25 1.20 0.00 0.00 173.24 176.21 1rnr h LEU 186 N 7.22 0.00 -0.43 3.45 6.46 -1.98 -2.60 115.31 127.43 1rnr h LEU 186 Ca -0.41 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.27 1rnr h LEU 186 Cb 1.15 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.06 1rnr h LEU 186 CO 0.39 0.46 -0.02 -0.09 -0.62 0.00 0.00 178.44 178.56 1rnr h ARG 187 N 0.00 0.78 -0.58 1.25 2.43 -1.99 0.03 114.38 116.30 1rnr h ARG 187 Ca -0.00 -0.26 -0.04 0.00 -0.81 0.00 0.00 59.98 58.86 1rnr h ARG 187 Cb 1.03 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 1rnr h ARG 187 CO 0.06 0.86 0.20 0.93 -1.51 0.00 0.00 179.97 180.51 1rnr h GLU 188 N 0.62 0.89 -0.25 0.20 4.39 -1.98 -1.06 114.58 117.39 1rnr h GLU 188 Ca 0.12 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 1rnr h GLU 188 Cb 0.52 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1rnr h GLU 188 CO 0.03 0.79 -0.07 1.25 -1.16 0.00 0.00 179.01 179.85 1rnr h LEU 189 N 0.81 0.36 -0.35 1.33 6.46 -1.10 -0.51 115.31 122.31 1rnr h LEU 189 Ca 0.19 -0.07 -0.19 0.00 -0.12 0.00 0.00 57.88 57.68 1rnr h LEU 189 Cb 0.26 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.09 1rnr h LEU 189 CO -0.01 0.48 -0.78 0.11 -0.62 0.00 0.00 178.44 177.63 1rnr h LYS 190 N 0.37 0.40 -0.52 1.25 1.57 -0.32 -1.38 116.57 117.94 1rnr h LYS 190 Ca 0.08 -0.35 -0.08 0.00 -1.87 0.00 0.00 60.65 58.43 1rnr h LYS 190 Cb 0.36 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1rnr h LYS 190 CO 0.02 1.00 0.02 0.87 -0.57 0.00 0.00 179.45 180.79 1rnr h LYS 191 N 0.26 0.90 -0.34 3.15 1.57 -0.73 -0.22 116.57 121.17 1rnr h LYS 191 Ca -0.04 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1rnr h LYS 191 Cb 1.37 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 1rnr h LYS 191 CO 0.13 0.92 0.19 -0.22 -0.57 0.00 0.00 179.45 179.90 1rnr h LYS 192 N 0.78 0.48 0.29 3.15 1.63 -0.95 0.63 116.57 122.57 1rnr h LYS 192 Ca 0.15 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1rnr h LYS 192 Cb 0.50 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 1rnr h LYS 192 CO 0.02 0.40 -0.27 1.25 -3.45 0.00 0.00 179.45 177.40 1rnr h LEU 193 N 0.43 -0.71 -0.62 5.20 5.85 -1.08 -0.13 115.31 124.25 1rnr h LEU 193 Ca 0.12 0.06 0.13 0.00 0.84 0.00 0.00 57.88 59.03 1rnr h LEU 193 Cb 0.06 0.24 -0.10 0.00 0.37 0.00 0.00 40.66 41.23 1rnr h LEU 193 CO -0.02 -0.39 0.07 0.22 -0.34 0.00 0.00 178.44 177.98 1rnr h TYR 194 N -0.58 0.09 -0.05 1.25 3.20 -0.71 0.88 116.97 121.05 1rnr h TYR 194 Ca -0.01 0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.75 1rnr h TYR 194 Cb 0.53 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 1rnr h TYR 194 CO -0.16 -0.10 -0.62 -0.07 -1.64 0.00 0.00 178.16 175.57 1rnr h LEU 195 N 0.19 0.20 -0.27 2.82 3.38 -0.66 -0.79 115.31 120.18 1rnr h LEU 195 Ca 0.33 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1rnr h LEU 195 Cb 0.52 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1rnr h LEU 195 CO -0.48 0.76 0.13 0.00 0.09 0.00 0.00 178.44 178.95 1rnr h LEU 197 N 0.30 0.60 -0.93 0.00 5.85 -0.61 0.16 115.31 120.68 1rnr h LEU 197 Ca 0.09 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.51 1rnr h LEU 197 Cb 0.12 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1rnr h LEU 197 CO -0.01 0.81 -0.48 -0.03 -0.34 0.00 0.00 178.44 178.38 1rnr h MET 198 N 0.53 0.00 -0.01 1.25 4.05 -0.87 -1.38 114.93 118.50 1rnr h MET 198 Ca 0.08 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.31 1rnr h MET 198 Cb 0.66 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.45 1rnr h MET 198 CO 0.05 0.48 -0.82 0.77 0.23 0.00 0.00 176.91 177.62 1rnr h SER 199 N 0.00 0.27 -0.42 1.39 0.02 0.25 -1.06 113.55 114.00 1rnr h SER 199 Ca -0.00 -0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 60.62 1rnr h SER 199 Cb 0.94 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 1rnr h SER 199 CO 0.06 0.98 -0.21 0.58 -1.14 0.00 0.00 176.83 177.11 1rnr h VAL 200 N 0.13 1.28 -0.22 2.27 2.07 -0.64 -0.92 116.25 120.21 1rnr h VAL 200 Ca -0.04 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 66.15 1rnr h VAL 200 Cb 1.43 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 1rnr h VAL 200 CO 0.13 0.46 0.09 -1.13 0.02 0.00 0.00 177.57 177.14 1rnr h ASN 201 N 0.71 0.12 -0.22 0.57 -0.73 -1.17 -0.88 115.58 113.99 1rnr h ASN 201 Ca 0.09 0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.26 1rnr h ASN 201 Cb 0.77 -0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.34 1rnr h ASN 201 CO 0.06 0.10 0.10 0.00 -0.37 0.00 0.00 177.43 177.32 1rnr h ALA 202 N 1.12 1.67 0.08 1.57 0.00 -1.03 0.07 119.26 122.74 1rnr h ALA 202 Ca 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rnr h ALA 202 Cb 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1rnr h ALA 202 CO -0.08 0.27 -0.04 1.25 0.00 0.00 0.00 179.25 180.65 1rnr h LEU 203 N 0.38 -0.09 0.07 0.00 6.46 0.02 -1.58 115.31 120.57 1rnr h LEU 203 Ca 0.10 -0.28 -0.26 0.00 -0.12 0.00 0.00 57.88 57.31 1rnr h LEU 203 Cb 0.10 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1rnr h LEU 203 CO -0.01 0.24 -1.18 -0.33 -0.62 0.00 0.00 178.44 176.54 1rnr h GLU 204 N -0.43 0.26 -0.34 1.25 5.08 -0.88 -1.24 114.58 118.29 1rnr h GLU 204 Ca -0.01 -0.42 -0.17 0.00 -1.00 0.00 0.00 59.36 57.76 1rnr h GLU 204 Cb 0.36 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1rnr h GLU 204 CO 0.02 1.19 -0.44 0.00 -1.00 0.00 0.00 179.01 178.78 1rnr h ALA 205 N 0.64 0.51 0.00 3.43 0.00 -1.09 -3.39 119.26 119.36 1rnr h ALA 205 Ca -0.12 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.19 1rnr h ALA 205 Cb 1.90 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 1rnr h ALA 205 CO 0.19 0.65 -1.39 -0.89 0.00 0.00 0.00 179.25 177.82 1rnr n ILE 206 N -4.06 0.56 0.17 0.00 5.41 -0.61 -4.47 119.36 116.36 1rnr n ILE 206 Ca -0.03 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.63 1rnr n ILE 206 Cb 0.57 -1.64 0.00 0.00 -0.71 0.00 0.00 39.64 37.86 1rnr n ILE 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1rnr n ARG 207 N -3.43 0.17 0.00 0.38 1.74 -0.47 -1.96 116.66 113.10 1rnr n ARG 207 Ca -0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 1rnr n ARG 207 Cb 0.58 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 1rnr n ARG 207 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1rnr n TYR 209 N 0.63 0.00 -0.06 -1.55 4.02 -1.26 -3.73 117.16 115.22 1rnr n TYR 209 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 1rnr n TYR 209 Cb 0.06 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.37 1rnr n TYR 209 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1rnr h VAL 210 N 0.00 1.29 0.00 -0.72 2.07 -1.75 -3.00 116.25 114.14 1rnr h VAL 210 Ca 0.00 -1.74 -0.12 0.00 0.82 0.00 0.00 66.70 65.66 1rnr h VAL 210 Cb 0.00 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1rnr h VAL 210 CO 0.00 0.56 -0.58 0.77 0.02 0.00 0.00 177.57 178.34 1rnr h SER 211 N 0.60 0.00 -0.70 0.57 4.64 -1.85 -3.07 113.55 113.75 1rnr h SER 211 Ca 0.01 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1rnr h SER 211 Cb 1.13 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.18 1rnr h SER 211 CO 0.12 0.58 0.46 -0.26 -0.87 0.00 0.00 176.83 176.86 1rnr h PHE 212 N 0.00 0.87 -0.44 4.77 0.04 -1.88 -2.36 116.94 117.94 1rnr h PHE 212 Ca -0.01 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.86 1rnr h PHE 212 Cb 1.21 -0.29 -0.06 0.00 2.20 0.00 0.00 35.95 39.01 1rnr h PHE 212 CO 0.00 0.54 0.07 0.00 -0.60 0.00 0.00 178.31 178.31 1rnr h ALA 213 N 1.27 0.46 -0.71 2.45 0.00 -1.43 0.14 119.26 121.44 1rnr h ALA 213 Ca 0.26 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 1rnr h ALA 213 Cb -0.08 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1rnr h ALA 213 CO -0.07 -0.33 0.30 0.00 0.00 0.00 0.00 179.25 179.15 1rnr h SER 215 N 1.02 0.45 0.64 0.00 0.02 -0.68 -3.14 113.55 111.87 1rnr h SER 215 Ca 0.24 -0.57 -0.07 0.00 -0.84 0.00 0.00 61.79 60.55 1rnr h SER 215 Cb 0.18 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1rnr h SER 215 CO -0.02 0.93 -0.34 -0.26 -1.14 0.00 0.00 176.83 175.99 1rnr h PHE 216 N -0.02 0.00 -0.74 3.45 0.04 -0.77 -2.75 116.94 116.15 1rnr h PHE 216 Ca 0.00 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.83 1rnr h PHE 216 Cb 0.86 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.96 1rnr h PHE 216 CO 0.11 0.34 0.43 0.00 -0.60 0.00 0.00 178.31 178.59 1rnr h ALA 217 N 1.66 1.01 -0.70 2.45 0.00 -1.07 0.49 119.26 123.10 1rnr h ALA 217 Ca -0.00 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1rnr h ALA 217 Cb 0.76 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1rnr h ALA 217 CO 0.04 0.13 0.25 0.74 0.00 0.00 0.00 179.25 180.41 1rnr h PHE 218 N 0.79 1.10 -0.53 0.00 0.04 -1.52 -2.61 116.94 114.21 1rnr h PHE 218 Ca 0.33 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.97 1rnr h PHE 218 Cb 0.19 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 1rnr h PHE 218 CO -0.06 0.87 0.22 0.00 -0.60 0.00 0.00 178.31 178.73 1rnr h ALA 219 N 1.11 1.38 -0.46 2.45 0.00 -1.00 -0.30 119.26 122.45 1rnr h ALA 219 Ca 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1rnr h ALA 219 Cb 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1rnr h ALA 219 CO -0.01 0.47 0.19 0.93 0.00 0.00 0.00 179.25 180.83 1rnr h GLU 220 N 0.76 0.65 -0.56 0.00 4.39 -0.55 0.30 114.58 119.57 1rnr h GLU 220 Ca 0.18 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1rnr h GLU 220 Cb 0.14 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1rnr h GLU 220 CO -0.02 0.53 0.00 0.54 -1.16 0.00 0.00 179.01 178.90 1rnr n ARG 221 N -4.37 1.50 -1.76 2.33 1.74 -0.67 -4.86 116.66 110.57 1rnr n ARG 221 Ca 0.03 -0.50 -0.20 0.00 -0.77 0.00 0.00 57.85 56.41 1rnr n ARG 221 Cb 0.14 -1.38 -0.07 0.00 -1.02 0.00 0.00 32.46 30.13 1rnr n ARG 221 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1rnr n GLU 222 N -0.00 -1.50 -3.98 5.56 0.00 0.09 -4.99 120.64 115.81 1rnr n GLU 222 Ca 0.05 1.15 -0.26 0.00 0.00 0.00 0.00 57.16 58.09 1rnr n GLU 222 Cb 0.27 -5.59 -0.04 0.00 0.00 0.00 0.00 31.44 26.09 1rnr n GLU 222 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1rnr s LEU 223 N -4.96 4.18 -1.61 4.31 1.43 -0.21 -4.48 118.68 117.34 1rnr s LEU 223 Ca 0.00 0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 53.02 1rnr s LEU 223 Cb 0.00 -2.77 0.14 0.00 0.03 0.00 0.00 46.19 43.59 1rnr s LEU 223 CO 0.00 0.06 0.80 0.23 0.23 0.00 0.00 176.35 177.67 1rnr n MET 224 N -0.47 -3.69 -2.25 1.70 2.81 -1.26 -3.11 117.12 110.86 1rnr n MET 224 Ca -0.07 0.43 -0.36 0.00 -1.81 0.00 0.00 57.70 55.89 1rnr n MET 224 Cb 0.54 -5.20 -0.00 0.00 -0.71 0.00 0.00 33.22 27.85 1rnr n MET 224 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1rnr s GLU 225 N -6.75 3.52 0.00 0.03 2.02 -1.26 -1.38 118.70 114.87 1rnr s GLU 225 Ca 0.69 1.69 0.00 0.00 0.02 0.00 0.00 54.97 57.37 1rnr s GLU 225 Cb -0.37 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 31.68 1rnr s GLU 225 CO 0.85 -0.73 0.00 0.41 0.02 0.00 0.00 175.26 175.81 1rnr n GLY 226 N 0.29 2.07 0.24 -1.39 0.00 -1.26 -4.57 105.19 100.58 1rnr n GLY 226 Ca 0.10 -0.66 -0.03 0.00 0.00 0.00 0.00 46.02 45.43 1rnr n GLY 226 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1rnr h ASN 227 N 0.00 0.53 -0.21 1.61 -1.24 -1.85 -0.79 115.58 113.63 1rnr h ASN 227 Ca 0.00 0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.00 1rnr h ASN 227 Cb 0.00 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 1rnr h ASN 227 CO 0.00 0.36 0.04 0.00 -1.29 0.00 0.00 177.43 176.54 1rnr h ALA 228 N 1.30 1.52 -0.60 1.57 0.00 -1.47 0.32 119.26 121.90 1rnr h ALA 228 Ca 0.26 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1rnr h ALA 228 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1rnr h ALA 228 CO -0.15 0.35 -0.02 0.87 0.00 0.00 0.00 179.25 180.31 1rnr h LYS 229 N 0.43 1.07 -0.09 0.00 1.57 -1.45 -0.82 116.57 117.28 1rnr h LYS 229 Ca 0.10 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.49 1rnr h LYS 229 Cb 0.22 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1rnr h LYS 229 CO 0.00 1.06 -0.08 0.82 -0.57 0.00 0.00 179.45 180.68 1rnr h ILE 230 N 0.98 1.36 0.00 1.86 2.04 -0.81 -2.78 117.51 120.15 1rnr h ILE 230 Ca 0.17 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.80 1rnr h ILE 230 Cb 0.58 1.96 -0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1rnr h ILE 230 CO 0.03 0.34 -0.08 0.40 0.00 0.00 0.00 178.15 178.84 1rnr h ILE 231 N -0.19 0.70 -0.57 -0.67 1.08 -0.82 0.10 117.51 117.14 1rnr h ILE 231 Ca 0.02 -0.33 -0.07 0.00 -0.39 0.00 0.00 64.86 64.09 1rnr h ILE 231 Cb 0.58 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 1rnr h ILE 231 CO 0.02 0.08 0.07 -0.09 -0.69 0.00 0.00 178.15 177.55 1rnr h ARG 232 N 0.00 0.96 -0.39 2.37 2.43 -0.97 -0.55 114.38 118.23 1rnr h ARG 232 Ca -0.00 -0.27 -0.12 0.00 -0.81 0.00 0.00 59.98 58.78 1rnr h ARG 232 Cb 0.19 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1rnr h ARG 232 CO 0.01 0.92 -0.24 -0.07 -1.51 0.00 0.00 179.97 179.09 1rnr h LEU 233 N 0.85 0.88 -0.16 3.80 4.07 -0.75 -1.85 115.31 122.15 1rnr h LEU 233 Ca 0.17 -0.42 -0.00 0.00 0.08 0.00 0.00 57.88 57.71 1rnr h LEU 233 Cb 0.44 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 1rnr h LEU 233 CO 0.01 1.11 0.09 0.40 -1.08 0.00 0.00 178.44 178.98 1rnr h ILE 234 N 0.66 1.08 -0.99 1.22 2.04 -1.17 -2.40 117.51 117.94 1rnr h ILE 234 Ca 0.08 -0.21 0.10 0.00 1.00 0.00 0.00 64.86 65.83 1rnr h ILE 234 Cb 0.80 0.93 -0.08 0.00 -0.74 0.00 0.00 36.82 37.74 1rnr h ILE 234 CO 0.07 0.08 0.63 0.00 0.00 0.00 0.00 178.15 178.92 1rnr h ALA 235 N 1.00 1.44 -0.47 1.87 0.00 -1.05 -0.29 119.26 121.77 1rnr h ALA 235 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1rnr h ALA 235 Cb 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1rnr h ALA 235 CO -0.01 0.31 -0.01 -0.09 0.00 0.00 0.00 179.25 179.45 1rnr h ARG 236 N 1.06 0.79 -0.37 0.00 2.43 -1.08 -2.20 114.38 115.01 1rnr h ARG 236 Ca 0.47 -0.22 -0.10 0.00 -0.81 0.00 0.00 59.98 59.32 1rnr h ARG 236 Cb 0.35 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1rnr h ARG 236 CO -0.23 0.80 -0.15 -0.44 -1.51 0.00 0.00 179.97 178.44 1rnr h ASP 237 N 0.74 0.77 0.26 -3.80 3.32 -0.84 -3.09 116.42 113.79 1rnr h ASP 237 Ca 0.14 -0.40 -0.04 0.00 0.02 0.00 0.00 57.03 56.76 1rnr h ASP 237 Cb 0.46 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1rnr h ASP 237 CO 0.02 0.99 -0.18 -0.33 -1.72 0.00 0.00 179.24 178.03 1rnr h GLU 238 N 0.55 0.00 -0.99 3.56 4.39 -0.79 -1.11 114.58 120.19 1rnr h GLU 238 Ca 0.08 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.82 1rnr h GLU 238 Cb 0.69 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.28 1rnr h GLU 238 CO 0.05 0.18 0.65 0.00 -1.16 0.00 0.00 179.01 178.72 1rnr h ALA 239 N 1.82 1.31 -0.33 3.43 0.00 -1.31 0.23 119.26 124.41 1rnr h ALA 239 Ca -0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1rnr h ALA 239 Cb 0.35 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1rnr h ALA 239 CO 0.02 0.54 -0.39 -0.07 0.00 0.00 0.00 179.25 179.34 1rnr h LEU 240 N 1.25 0.92 -0.64 0.00 3.38 -1.34 -1.68 115.31 117.20 1rnr h LEU 240 Ca 0.39 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1rnr h LEU 240 Cb 0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1rnr h LEU 240 CO -0.13 1.22 0.20 0.45 0.09 0.00 0.00 178.44 180.27 1rnr h HIS 241 N 0.64 1.04 -0.52 1.13 3.86 -0.07 -1.61 115.15 119.61 1rnr h HIS 241 Ca 0.04 -0.11 -0.09 0.00 -1.16 0.00 0.00 60.37 59.06 1rnr h HIS 241 Cb 0.99 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 1rnr h HIS 241 CO 0.07 0.85 -0.01 1.25 0.86 0.00 0.00 177.93 180.94 1rnr h LEU 242 N 0.93 0.92 -0.77 2.43 6.46 -1.04 -2.22 115.31 122.02 1rnr h LEU 242 Ca 0.21 -0.31 0.11 0.00 -0.12 0.00 0.00 57.88 57.76 1rnr h LEU 242 Cb 0.30 -0.25 -0.08 0.00 -0.73 0.00 0.00 40.66 39.90 1rnr h LEU 242 CO -0.01 1.01 0.39 0.74 -0.62 0.00 0.00 178.44 179.95 1rnr h THR 243 N 0.80 0.81 0.82 1.05 2.02 -0.78 -1.51 112.91 116.12 1rnr h THR 243 Ca 0.15 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 1rnr h THR 243 Cb 0.55 0.13 0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1rnr h THR 243 CO 0.03 0.11 -0.39 1.23 0.37 0.00 0.00 175.52 176.87 1rnr h GLY 244 N 0.62 -1.15 0.72 2.16 0.00 -0.91 -0.85 103.07 103.65 1rnr h GLY 244 Ca 0.39 0.43 0.06 0.00 0.00 0.00 0.00 47.33 48.21 1rnr h GLY 244 CO -0.30 -0.42 0.57 -0.84 0.00 0.00 0.00 176.54 175.55 1rnr h THR 245 N -1.12 1.05 -0.72 4.70 2.02 -1.29 -0.37 112.91 117.18 1rnr h THR 245 Ca -0.11 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 1rnr h THR 245 Cb 0.85 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1rnr h THR 245 CO 0.18 0.19 0.36 1.56 0.37 0.00 0.00 175.52 178.19 1rnr h GLN 246 N 1.03 1.03 -0.50 6.66 4.20 -1.24 0.15 115.11 126.44 1rnr h GLN 246 Ca 0.39 -0.14 -0.12 0.00 0.06 0.00 0.00 58.65 58.84 1rnr h GLN 246 Cb 0.18 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1rnr h GLN 246 CO -0.18 0.80 -0.17 0.45 -0.67 0.00 0.00 178.83 179.06 1rnr h HIS 247 N 1.01 1.13 -0.21 2.96 3.86 -0.62 -0.53 115.15 122.76 1rnr h HIS 247 Ca 0.25 -0.26 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1rnr h HIS 247 Cb 0.09 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 1rnr h HIS 247 CO 0.00 1.08 0.10 0.52 0.86 0.00 0.00 177.93 180.50 1rnr h MET 248 N 0.87 0.29 -0.21 2.45 2.86 -0.68 -1.63 114.93 118.88 1rnr h MET 248 Ca 0.12 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.60 1rnr h MET 248 Cb 0.75 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1rnr h MET 248 CO 0.06 0.30 -0.39 -0.07 1.06 0.00 0.00 176.91 177.87 1rnr h LEU 249 N 0.21 0.51 -0.44 1.22 3.38 -0.82 -1.95 115.31 117.42 1rnr h LEU 249 Ca 0.07 -0.22 -0.17 0.00 0.09 0.00 0.00 57.88 57.65 1rnr h LEU 249 Cb 0.10 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1rnr h LEU 249 CO -0.01 0.85 -0.53 0.78 0.09 0.00 0.00 178.44 179.62 1rnr h ASN 250 N 0.41 0.77 -0.86 -0.43 -0.26 -0.90 -0.39 115.58 113.92 1rnr h ASN 250 Ca 0.04 -0.41 -0.03 0.00 -0.56 0.00 0.00 56.30 55.35 1rnr h ASN 250 Cb 0.86 -0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 37.86 1rnr h ASN 250 CO 0.07 1.15 0.44 -0.07 -1.06 0.00 0.00 177.43 177.96 1rnr h LEU 251 N 0.54 1.10 -0.04 1.61 4.07 -1.22 0.21 115.31 121.58 1rnr h LEU 251 Ca 0.02 -0.12 -0.03 0.00 0.08 0.00 0.00 57.88 57.82 1rnr h LEU 251 Cb 1.10 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.55 1rnr h LEU 251 CO 0.11 0.91 -0.10 -0.07 -1.08 0.00 0.00 178.44 178.21 1rnr h LEU 252 N 1.21 0.16 -1.00 1.67 3.38 -1.15 -3.21 115.31 116.38 1rnr h LEU 252 Ca 0.30 -0.58 0.07 0.00 0.09 0.00 0.00 57.88 57.76 1rnr h LEU 252 Cb 0.08 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 1rnr h LEU 252 CO -0.04 0.71 0.64 -0.09 0.09 0.00 0.00 178.44 179.75 1rnr h ARG 253 N -0.38 1.13 0.00 1.13 2.43 -1.00 -2.48 114.38 115.22 1rnr h ARG 253 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1rnr h ARG 253 Cb 0.68 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1rnr h ARG 253 CO 0.02 0.75 0.00 -1.13 -1.51 0.00 0.00 179.97 178.10 1rnr n SER 254 N -4.51 0.00 0.00 -3.80 3.41 0.73 -4.55 113.62 104.90 1rnr n SER 254 Ca 0.15 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1rnr n SER 254 Cb 0.18 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1rnr n SER 254 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rnr n GLY 255 N -0.10 1.44 0.29 5.00 0.00 -0.95 -4.88 105.19 106.00 1rnr n GLY 255 Ca 0.03 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.23 1rnr n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rnr h ALA 256 N 0.00 1.04 0.00 4.61 0.00 -1.82 -3.36 119.26 119.73 1rnr h ALA 256 Ca 0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 1rnr h ALA 256 Cb 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1rnr h ALA 256 CO 0.00 0.04 -1.57 -3.47 0.00 0.00 0.00 179.25 174.25 1rnr n ASP 257 N -3.18 1.07 -3.65 0.00 2.03 -1.24 -4.99 116.55 106.59 1rnr n ASP 257 Ca -0.01 0.18 -0.24 0.00 0.52 0.00 0.00 54.79 55.25 1rnr n ASP 257 Cb 0.24 -0.43 -0.17 0.00 -0.72 0.00 0.00 41.12 40.03 1rnr n ASP 257 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1rnr s ASP 258 N -6.20 1.88 0.32 1.67 2.15 -1.26 -4.73 116.67 110.50 1rnr s ASP 258 Ca -0.19 -0.33 0.09 0.00 0.43 0.00 0.00 52.55 52.55 1rnr s ASP 258 Cb 0.07 -0.24 0.87 0.00 -0.30 0.00 0.00 42.92 43.33 1rnr s ASP 258 CO 0.24 -0.30 1.73 -0.65 -0.17 0.00 0.00 175.17 176.02 1rnr h PRO 259 N 8.41 0.57 -0.01 4.34 0.11 -1.94 -0.90 132.00 142.59 1rnr h PRO 259 Ca -0.14 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.85 1rnr h PRO 259 Cb 1.14 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1rnr h PRO 259 CO 0.24 0.38 -0.37 1.49 -0.21 0.00 0.00 178.00 179.53 1rnr h GLU 260 N 0.59 0.01 -0.44 1.05 4.81 -1.95 -2.58 114.58 116.08 1rnr h GLU 260 Ca 0.64 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.77 1rnr h GLU 260 Cb 1.20 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1rnr h GLU 260 CO -0.47 0.38 -0.13 1.98 -0.73 0.00 0.00 179.01 180.05 1rnr h MET 261 N 0.01 0.81 -0.53 1.92 4.05 -1.45 -1.79 114.93 117.94 1rnr h MET 261 Ca -0.00 -0.28 -0.10 0.00 -0.28 0.00 0.00 59.70 59.04 1rnr h MET 261 Cb 0.66 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.38 1rnr h MET 261 CO 0.05 0.89 -0.06 0.00 0.23 0.00 0.00 176.91 178.02 1rnr h ALA 262 N 1.13 0.88 0.07 0.39 0.00 -1.33 0.03 119.26 120.43 1rnr h ALA 262 Ca 0.12 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1rnr h ALA 262 Cb 0.62 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1rnr h ALA 262 CO 0.04 0.65 -0.10 0.93 0.00 0.00 0.00 179.25 180.77 1rnr h GLU 263 N 0.87 -0.21 -0.97 0.00 5.08 -1.32 -2.08 114.58 115.94 1rnr h GLU 263 Ca 0.15 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.59 1rnr h GLU 263 Cb 0.60 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.82 1rnr h GLU 263 CO 0.04 -0.14 0.62 0.82 -1.00 0.00 0.00 179.01 179.35 1rnr h ILE 264 N -0.21 1.05 0.14 3.13 2.04 -1.08 0.57 117.51 123.15 1rnr h ILE 264 Ca 0.02 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1rnr h ILE 264 Cb 0.22 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 1rnr h ILE 264 CO -0.05 0.20 -0.07 0.00 0.00 0.00 0.00 178.15 178.23 1rnr h ALA 265 N 1.46 -0.19 -0.50 1.87 0.00 -0.68 0.29 119.26 121.51 1rnr h ALA 265 Ca 0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1rnr h ALA 265 Cb 0.21 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1rnr h ALA 265 CO -0.19 -0.60 0.29 0.93 0.00 0.00 0.00 179.25 179.68 1rnr h GLU 266 N -0.20 0.69 -0.10 0.00 3.07 -0.80 -0.87 114.58 116.37 1rnr h GLU 266 Ca -0.02 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 58.73 1rnr h GLU 266 Cb 0.15 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1rnr h GLU 266 CO 0.03 0.53 -0.09 0.93 -1.40 0.00 0.00 179.01 179.01 1rnr h GLU 267 N 0.67 0.14 -0.08 2.33 5.08 -0.65 -2.83 114.58 119.24 1rnr h GLU 267 Ca 0.18 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1rnr h GLU 267 Cb 0.03 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1rnr h GLU 267 CO -0.03 0.25 0.00 0.00 -1.00 0.00 0.00 179.01 178.23 1rnr h LYS 269 N 3.11 0.07 -0.52 0.00 3.64 -0.99 -1.06 116.57 120.81 1rnr h LYS 269 Ca 0.00 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1rnr h LYS 269 Cb 0.67 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 1rnr h LYS 269 CO 0.00 0.04 0.03 1.96 -2.27 0.00 0.00 179.45 179.22 1rnr h GLN 270 N 0.07 0.90 -0.49 1.90 1.08 -1.85 -1.89 115.11 114.82 1rnr h GLN 270 Ca 0.46 -0.27 -0.08 0.00 -1.45 0.00 0.00 58.65 57.32 1rnr h GLN 270 Cb 0.84 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.16 1rnr h GLN 270 CO -0.76 0.91 0.01 1.49 -0.95 0.00 0.00 178.83 179.53 1rnr h GLU 271 N 0.77 0.86 -0.52 1.46 4.81 -1.59 -0.52 114.58 119.85 1rnr h GLU 271 Ca 0.15 -0.27 0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1rnr h GLU 271 Cb 0.48 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 1rnr h GLU 271 CO 0.02 0.89 0.23 0.00 -0.73 0.00 0.00 179.01 179.43 1rnr h TYR 273 N 0.45 -0.73 -0.17 0.00 5.03 -0.92 -0.99 116.97 119.64 1rnr h TYR 273 Ca 0.24 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.52 1rnr h TYR 273 Cb 0.20 0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.75 1rnr h TYR 273 CO -0.13 -0.40 -0.03 -0.44 -1.32 0.00 0.00 178.16 175.84 1rnr h ASP 274 N -0.61 0.23 -0.15 -2.11 3.32 -0.79 -1.74 116.42 114.56 1rnr h ASP 274 Ca -0.02 -0.03 -0.18 0.00 0.02 0.00 0.00 57.03 56.82 1rnr h ASP 274 Cb 0.54 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1rnr h ASP 274 CO -0.03 0.30 -0.58 0.25 -1.72 0.00 0.00 179.24 177.46 1rnr h LEU 275 N 0.24 0.84 -0.35 1.55 5.85 -0.58 0.15 115.31 123.02 1rnr h LEU 275 Ca 0.06 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.28 1rnr h LEU 275 Cb 0.22 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1rnr h LEU 275 CO 0.01 1.24 0.08 -0.26 -0.34 0.00 0.00 178.44 179.16 1rnr h PHE 276 N 0.57 0.59 -0.16 1.25 0.04 -0.68 -0.95 116.94 117.60 1rnr h PHE 276 Ca 0.01 -0.07 -0.05 0.00 2.80 0.00 0.00 57.97 60.65 1rnr h PHE 276 Cb 1.16 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 39.14 1rnr h PHE 276 CO 0.06 0.60 -0.11 0.28 -0.60 0.00 0.00 178.31 178.55 1rnr h VAL 277 N 0.41 1.17 -0.22 -0.55 2.07 -1.17 -0.70 116.25 117.27 1rnr h VAL 277 Ca 0.11 -0.75 -0.16 0.00 0.82 0.00 0.00 66.70 66.72 1rnr h VAL 277 Cb 0.31 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1rnr h VAL 277 CO 0.00 0.23 -0.52 -0.61 0.02 0.00 0.00 177.57 176.70 1rnr h GLN 278 N 0.24 0.61 -0.30 1.57 5.75 -0.62 -1.17 115.11 121.20 1rnr h GLN 278 Ca 0.05 -0.37 -0.02 0.00 -0.15 0.00 0.00 58.65 58.16 1rnr h GLN 278 Cb 0.35 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 1rnr h GLN 278 CO 0.02 0.98 0.11 0.00 -2.65 0.00 0.00 178.83 177.29 1rnr h ALA 279 N 0.95 0.39 -0.52 3.38 0.00 0.23 -0.59 119.26 123.08 1rnr h ALA 279 Ca 0.02 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1rnr h ALA 279 Cb 1.06 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1rnr h ALA 279 CO 0.10 -0.01 0.26 0.00 0.00 0.00 0.00 179.25 179.60 1rnr h ALA 280 N 0.95 0.67 -0.67 0.00 0.00 -1.27 -2.36 119.26 116.58 1rnr h ALA 280 Ca 0.10 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1rnr h ALA 280 Cb 0.20 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1rnr h ALA 280 CO -0.01 -0.09 0.24 0.37 0.00 0.00 0.00 179.25 179.76 1rnr h GLN 281 N 0.50 1.01 -0.40 0.00 5.75 -0.76 -1.10 115.11 120.11 1rnr h GLN 281 Ca 0.23 -0.19 -0.05 0.00 -0.15 0.00 0.00 58.65 58.50 1rnr h GLN 281 Cb 0.16 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 1rnr h GLN 281 CO -0.17 0.84 0.05 1.96 -2.65 0.00 0.00 178.83 178.86 1rnr h GLN 282 N 0.98 0.62 -0.50 1.69 4.20 -0.63 0.25 115.11 121.73 1rnr h GLN 282 Ca 0.22 -0.13 -0.10 0.00 0.06 0.00 0.00 58.65 58.71 1rnr h GLN 282 Cb 0.23 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1rnr h GLN 282 CO -0.01 0.61 -0.06 0.93 -0.67 0.00 0.00 178.83 179.62 1rnr h GLU 283 N 0.60 0.92 0.39 1.46 4.39 -0.85 -1.59 114.58 119.90 1rnr h GLU 283 Ca 0.13 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 1rnr h GLU 283 Cb 0.31 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1rnr h GLU 283 CO 0.01 0.98 -0.20 -0.22 -1.16 0.00 0.00 179.01 178.42 1rnr h LYS 284 N 0.78 -0.52 -0.87 2.33 3.64 -0.74 -2.01 116.57 119.19 1rnr h LYS 284 Ca 0.13 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.68 1rnr h LYS 284 Cb 0.61 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.48 1rnr h LYS 284 CO 0.04 -0.35 0.56 -0.44 -2.27 0.00 0.00 179.45 176.99 1rnr h ASP 285 N -0.54 0.65 -0.75 4.20 3.32 -0.89 0.71 116.42 123.12 1rnr h ASP 285 Ca -0.05 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1rnr h ASP 285 Cb 0.42 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 1rnr h ASP 285 CO 0.08 0.34 0.40 -0.25 -1.72 0.00 0.00 179.24 178.09 1rnr h TRP 286 N 0.70 1.04 -0.52 4.55 2.91 -1.02 -2.51 115.95 121.10 1rnr h TRP 286 Ca 0.43 -0.03 0.09 0.00 1.13 0.00 0.00 58.89 60.51 1rnr h TRP 286 Cb 0.66 -0.33 -0.03 0.00 -0.51 0.00 0.00 29.16 28.95 1rnr h TRP 286 CO -0.00 0.74 0.35 0.00 -1.03 0.00 0.00 178.44 178.50 1rnr h ALA 287 N 1.20 2.09 -0.57 2.65 0.00 -0.10 0.30 119.26 124.84 1rnr h ALA 287 Ca 0.26 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1rnr h ALA 287 Cb 0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1rnr h ALA 287 CO -0.04 -0.21 0.24 -0.44 0.00 0.00 0.00 179.25 178.80 1rnr h ASP 288 N 0.29 0.77 -0.43 0.00 3.32 -1.38 0.32 116.42 119.31 1rnr h ASP 288 Ca 0.24 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 1rnr h ASP 288 Cb 0.55 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1rnr h ASP 288 CO -0.05 0.71 0.16 0.22 -1.72 0.00 0.00 179.24 178.56 1rnr h TYR 289 N 0.77 0.67 0.19 4.55 3.20 -0.45 -2.25 116.97 123.65 1rnr h TYR 289 Ca 0.19 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1rnr h TYR 289 Cb 0.17 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1rnr h TYR 289 CO 0.00 0.59 -0.09 1.25 -1.64 0.00 0.00 178.16 178.27 1rnr h LEU 290 N 0.56 -0.22 -3.52 2.82 5.85 -0.97 -3.29 115.31 116.53 1rnr h LEU 290 Ca 0.14 -0.13 -0.14 0.00 0.84 0.00 0.00 57.88 58.59 1rnr h LEU 290 Cb 0.21 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.21 1rnr h LEU 290 CO -0.01 -0.00 0.18 0.49 -0.34 0.00 0.00 178.44 178.76 1rnr n PHE 291 N -5.13 2.22 -0.12 1.25 3.72 0.09 -4.49 117.46 114.99 1rnr n PHE 291 Ca -0.09 -1.00 -0.02 0.00 -0.05 0.00 0.00 57.45 56.29 1rnr n PHE 291 Cb 0.19 -0.61 0.21 0.00 -0.94 0.00 0.00 39.48 38.32 1rnr n PHE 291 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1rnr h ARG 292 N 2.87 0.81 -0.78 -1.08 0.11 -1.48 -2.03 114.38 112.80 1rnr h ARG 292 Ca 0.18 -0.16 -0.24 0.00 0.10 0.00 0.00 59.98 59.86 1rnr h ARG 292 Cb 2.14 -0.13 -0.14 0.00 1.11 0.00 0.00 29.97 32.95 1rnr h ARG 292 CO 0.63 0.72 0.30 -0.25 0.10 0.00 0.00 179.97 181.47 1rnr n ASP 293 N -4.28 4.75 0.00 0.08 8.00 -1.26 -5.02 116.55 118.82 1rnr n ASP 293 Ca 0.04 -3.22 0.00 0.00 0.71 0.00 0.00 54.79 52.32 1rnr n ASP 293 Cb 0.22 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 1rnr n ASP 293 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rnr n GLY 294 N -0.20 2.65 0.00 0.44 0.00 -0.76 -4.76 105.19 102.56 1rnr n GLY 294 Ca 0.42 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1rnr n GLY 294 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rnr n SER 295 N 0.00 0.00 -4.02 1.61 7.64 -1.26 -4.62 113.62 112.96 1rnr n SER 295 Ca 0.00 -0.73 -0.13 0.00 1.01 0.00 0.00 58.87 59.01 1rnr n SER 295 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1rnr n SER 295 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rnr s MET 296 N -0.94 1.33 -0.05 1.43 0.23 -0.97 -4.89 119.30 115.44 1rnr s MET 296 Ca 0.00 -1.69 -0.30 0.00 -1.03 0.00 0.00 55.69 52.68 1rnr s MET 296 Cb 0.00 0.29 -0.07 0.00 -1.53 0.00 0.00 34.83 33.53 1rnr s MET 296 CO 0.00 -0.45 1.84 0.42 -2.03 0.00 0.00 175.02 174.79 1rnr s ILE 297 N -4.00 3.30 0.00 3.16 1.01 -1.26 -2.11 121.20 121.29 1rnr s ILE 297 Ca 0.39 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.39 1rnr s ILE 297 Cb 0.06 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1rnr s ILE 297 CO 0.15 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.64 1rnr n GLY 298 N 4.52 2.52 3.19 6.18 0.00 -1.26 -4.90 105.19 115.44 1rnr n GLY 298 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1rnr n GLY 298 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rnr s LEU 299 N 0.00 0.87 0.36 0.99 2.96 -0.90 -5.04 118.68 117.92 1rnr s LEU 299 Ca 0.00 0.52 -0.10 0.00 -0.22 0.00 0.00 54.13 54.33 1rnr s LEU 299 Cb 0.00 1.05 0.03 0.00 0.50 0.00 0.00 46.19 47.78 1rnr s LEU 299 CO 0.00 -0.15 0.65 0.54 -1.32 0.00 0.00 176.35 176.07 1rnr s ASN 300 N -0.07 0.38 0.38 3.68 2.20 -1.26 -2.28 114.94 117.96 1rnr s ASN 300 Ca -0.02 -1.27 0.13 0.00 -0.94 0.00 0.00 52.86 50.76 1rnr s ASN 300 Cb -0.03 0.77 0.75 0.00 -2.00 0.00 0.00 41.25 40.74 1rnr s ASN 300 CO 0.01 -1.51 1.84 0.07 -2.94 0.00 0.00 177.10 174.56 1rnr h LYS 301 N 2.05 0.00 0.12 3.55 2.10 -1.94 -1.94 116.57 120.51 1rnr h LYS 301 Ca -0.30 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.34 1rnr h LYS 301 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1rnr h LYS 301 CO 0.39 0.36 -0.06 -0.44 -2.00 0.00 0.00 179.45 177.70 1rnr h ASP 302 N 0.00 -0.14 0.04 7.07 3.32 -1.97 -1.21 116.42 123.53 1rnr h ASP 302 Ca -0.00 -0.25 -0.07 0.00 0.02 0.00 0.00 57.03 56.73 1rnr h ASP 302 Cb 0.64 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1rnr h ASP 302 CO 0.05 0.19 -0.19 0.40 -1.72 0.00 0.00 179.24 177.96 1rnr h ILE 303 N -0.47 1.22 -0.06 0.35 1.08 -1.95 -2.98 117.51 114.70 1rnr h ILE 303 Ca -0.02 -0.99 -0.07 0.00 -0.39 0.00 0.00 64.86 63.39 1rnr h ILE 303 Cb 0.38 1.30 0.00 0.00 -3.07 0.00 0.00 36.82 35.43 1rnr h ILE 303 CO 0.03 0.31 -0.25 0.25 -0.69 0.00 0.00 178.15 177.80 1rnr h LEU 304 N 0.27 0.32 -1.49 1.44 5.85 -1.09 -1.01 115.31 119.59 1rnr h LEU 304 Ca 0.05 -0.64 -0.05 0.00 0.84 0.00 0.00 57.88 58.07 1rnr h LEU 304 Cb 0.49 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1rnr h LEU 304 CO 0.03 0.91 -0.26 0.00 -0.34 0.00 0.00 178.44 178.78 1rnr h GLN 306 N 0.00 -0.16 -0.20 0.00 1.08 -1.42 0.61 115.11 115.02 1rnr h GLN 306 Ca -0.00 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1rnr h GLN 306 Cb 0.47 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.93 1rnr h GLN 306 CO 0.03 -0.11 0.10 -0.92 -0.95 0.00 0.00 178.83 176.99 1rnr h TYR 307 N -0.17 0.28 -0.83 2.96 3.20 -0.29 0.32 116.97 122.44 1rnr h TYR 307 Ca 0.09 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.99 1rnr h TYR 307 Cb 0.30 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.44 1rnr h TYR 307 CO -0.26 0.28 0.55 0.28 -1.64 0.00 0.00 178.16 177.37 1rnr h VAL 308 N 0.20 1.13 -0.38 1.81 2.07 -0.53 0.91 116.25 121.46 1rnr h VAL 308 Ca 0.07 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1rnr h VAL 308 Cb 0.10 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 1rnr h VAL 308 CO -0.01 0.19 0.12 -0.33 0.02 0.00 0.00 177.57 177.56 1rnr h GLU 309 N 1.02 0.58 0.29 1.57 5.08 0.62 0.48 114.58 124.23 1rnr h GLU 309 Ca 0.33 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1rnr h GLU 309 Cb 0.05 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1rnr h GLU 309 CO -0.10 0.59 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.44 1rnr h TYR 310 N 0.46 -0.36 -0.57 4.33 3.20 -0.24 -2.17 116.97 121.63 1rnr h TYR 310 Ca 0.12 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 1rnr h TYR 310 Cb 0.24 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1rnr h TYR 310 CO 0.01 -0.17 0.01 0.97 -1.64 0.00 0.00 178.16 177.34 1rnr h ILE 311 N -0.47 1.26 -0.88 1.81 6.09 -0.72 -2.33 117.51 122.27 1rnr h ILE 311 Ca -0.04 -1.12 0.04 0.00 -1.37 0.00 0.00 64.86 62.37 1rnr h ILE 311 Cb 0.35 0.85 -0.05 0.00 0.47 0.00 0.00 36.82 38.44 1rnr h ILE 311 CO 0.07 0.40 0.57 0.74 -3.07 0.00 0.00 178.15 176.86 1rnr h THR 312 N 0.90 1.13 -0.42 2.19 2.02 -0.88 -1.84 112.91 116.02 1rnr h THR 312 Ca 0.16 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 1rnr h THR 312 Cb 0.54 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1rnr h THR 312 CO 0.03 0.20 0.16 0.78 0.37 0.00 0.00 175.52 177.05 1rnr h ASN 313 N 1.10 0.59 -0.40 4.18 2.35 -1.07 -0.29 115.58 122.03 1rnr h ASN 313 Ca 0.36 -0.18 0.05 0.00 -0.55 0.00 0.00 56.30 55.97 1rnr h ASN 313 Cb 0.02 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 1rnr h ASN 313 CO -0.12 0.61 0.14 0.40 -1.65 0.00 0.00 177.43 176.81 1rnr h ILE 314 N 0.53 0.88 -0.19 2.81 1.08 -1.00 -2.17 117.51 119.44 1rnr h ILE 314 Ca 0.14 -0.10 -0.18 0.00 -0.39 0.00 0.00 64.86 64.32 1rnr h ILE 314 Cb 0.21 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 34.52 1rnr h ILE 314 CO -0.01 0.06 -0.58 0.03 -0.69 0.00 0.00 178.15 176.96 1rnr h ARG 315 N 0.30 0.74 -0.38 2.37 2.47 -1.14 -2.61 114.38 116.14 1rnr h ARG 315 Ca 0.19 -0.53 -0.03 0.00 -1.26 0.00 0.00 59.98 58.35 1rnr h ARG 315 Cb 0.17 0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 1rnr h ARG 315 CO -0.19 1.15 0.12 0.52 0.56 0.00 0.00 179.97 182.14 1rnr h MET 316 N 0.45 0.58 0.00 0.04 2.86 -1.03 -2.39 114.93 115.45 1rnr h MET 316 Ca -0.02 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1rnr h MET 316 Cb 1.20 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 1rnr h MET 316 CO 0.12 0.59 -0.16 0.37 1.06 0.00 0.00 176.91 178.89 1rnr h GLN 317 N 0.46 0.00 -0.19 1.72 5.75 -1.42 -0.18 115.11 121.24 1rnr h GLN 317 Ca 0.12 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.56 1rnr h GLN 317 Cb 0.24 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 1rnr h GLN 317 CO -0.01 0.16 -0.15 0.00 -2.65 0.00 0.00 178.83 176.18 1rnr h ALA 318 N 1.84 1.39 -0.56 3.38 0.00 -1.03 -0.61 119.26 123.67 1rnr h ALA 318 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1rnr h ALA 318 Cb 0.71 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1rnr h ALA 318 CO 0.02 0.42 0.00 1.55 0.00 0.00 0.00 179.25 181.24 1rnr n VAL 319 N -4.23 2.65 -1.69 0.00 3.14 -1.00 -4.93 118.33 112.27 1rnr n VAL 319 Ca -0.00 -1.43 -0.06 0.00 -2.96 0.00 0.00 64.34 59.89 1rnr n VAL 319 Cb 0.30 -0.23 -0.01 0.00 -1.06 0.00 0.00 33.84 32.83 1rnr n VAL 319 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1rnr n GLY 320 N 0.59 0.46 4.02 7.55 0.00 -0.23 -4.94 105.19 112.62 1rnr n GLY 320 Ca 0.27 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 1rnr n GLY 320 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rnr s LEU 321 N -1.62 3.13 0.24 0.99 1.43 -0.11 -4.98 118.68 117.76 1rnr s LEU 321 Ca 0.00 -0.83 -0.07 0.00 -1.03 0.00 0.00 54.13 52.20 1rnr s LEU 321 Cb 0.00 -1.71 -0.06 0.00 0.03 0.00 0.00 46.19 44.45 1rnr s LEU 321 CO 0.00 -1.25 0.53 -1.81 0.23 0.00 0.00 176.35 174.05 1rnr s ASP 322 N -4.59 6.53 0.11 2.29 1.01 -1.26 -4.03 116.67 116.73 1rnr s ASP 322 Ca 0.58 0.79 -0.30 0.00 0.71 0.00 0.00 52.55 54.33 1rnr s ASP 322 Cb -0.06 -2.17 -0.06 0.00 1.01 0.00 0.00 42.92 41.64 1rnr s ASP 322 CO 0.37 -0.11 1.08 -0.76 0.21 0.00 0.00 175.17 175.96 1rnr s LEU 323 N -3.11 4.44 0.27 1.23 1.43 -1.26 -4.84 118.68 116.84 1rnr s LEU 323 Ca 0.45 1.95 0.23 0.00 -1.03 0.00 0.00 54.13 55.73 1rnr s LEU 323 Cb -0.11 -3.59 0.15 0.00 0.03 0.00 0.00 46.19 42.66 1rnr s LEU 323 CO 0.25 -0.27 1.25 1.55 0.23 0.00 0.00 176.35 179.37 1rnr h PRO 324 N 5.89 0.00 -6.25 1.29 0.13 -1.94 -3.49 132.00 127.64 1rnr h PRO 324 Ca -0.43 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.14 1rnr h PRO 324 Cb 1.21 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.25 1rnr h PRO 324 CO 0.75 0.00 -0.64 -0.06 -0.23 0.00 0.00 178.00 177.82 1rnr s PHE 325 N -3.30 2.76 0.20 1.56 0.08 -1.26 -5.08 117.98 112.94 1rnr s PHE 325 Ca 0.02 -0.19 -0.30 0.00 0.12 0.00 0.00 56.93 56.58 1rnr s PHE 325 Cb 0.09 -1.26 -0.08 0.00 -0.57 0.00 0.00 43.02 41.20 1rnr s PHE 325 CO 0.75 0.58 1.00 0.54 -0.10 0.00 0.00 175.22 177.99 1rnr s ASN 326 N -3.48 7.47 0.37 1.36 4.22 -1.26 -4.93 114.94 118.69 1rnr s ASN 326 Ca 0.30 1.99 -0.28 0.00 -2.14 0.00 0.00 52.86 52.73 1rnr s ASN 326 Cb -0.07 -2.61 -0.11 0.00 1.28 0.00 0.00 41.25 39.74 1rnr s ASN 326 CO 0.20 -0.02 1.46 0.42 -2.04 0.00 0.00 177.10 177.11 1rnr s THR 327 N -0.67 2.14 0.05 0.54 -4.23 -1.26 -4.95 115.64 107.27 1rnr s THR 327 Ca 0.45 0.14 -0.00 0.00 -1.18 0.00 0.00 61.69 61.10 1rnr s THR 327 Cb -0.27 -3.09 -0.03 0.00 1.34 0.00 0.00 72.50 70.45 1rnr s THR 327 CO 0.33 0.03 -0.04 -0.13 -0.54 0.00 0.00 174.62 174.28 1rnr s ARG 328 N -2.08 0.56 0.93 3.99 0.52 -1.26 -5.15 118.95 116.47 1rnr s ARG 328 Ca 0.53 -1.05 -0.15 0.00 -0.52 0.00 0.00 55.73 54.54 1rnr s ARG 328 Cb -0.45 0.09 0.16 0.00 0.52 0.00 0.00 34.95 35.27 1rnr s ARG 328 CO 0.62 -0.07 1.24 -1.12 0.02 0.00 0.00 175.30 175.98 1rnr s SER 329 N -2.48 3.39 -0.08 0.23 0.01 -1.26 -5.01 113.70 108.50 1rnr s SER 329 Ca 0.01 0.54 -0.30 0.00 1.31 0.00 0.00 55.95 57.51 1rnr s SER 329 Cb 0.02 -0.81 -0.04 0.00 0.21 0.00 0.00 66.02 65.40 1rnr s SER 329 CO -0.06 -2.59 1.39 0.21 0.41 0.00 0.00 173.24 172.60 1rnr s ASN 330 N -4.60 6.86 0.55 2.44 3.04 -1.26 -4.91 114.94 117.07 1rnr s ASN 330 Ca 0.69 1.96 0.34 0.00 0.04 0.00 0.00 52.86 55.89 1rnr s ASN 330 Cb -0.08 -2.55 1.48 0.00 -1.54 0.00 0.00 41.25 38.57 1rnr s ASN 330 CO 0.52 -0.77 2.03 1.55 -3.04 0.00 0.00 177.10 177.40 1rnr h PRO 331 N 8.32 0.00 -2.17 0.43 0.13 -1.93 -3.35 132.00 133.43 1rnr h PRO 331 Ca -0.34 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.21 1rnr h PRO 331 Cb 1.15 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.87 1rnr h PRO 331 CO 0.94 0.04 -0.73 0.44 -0.23 0.00 0.00 178.00 178.45 1rnr n ILE 332 N -3.17 1.87 0.01 -3.56 -5.35 -1.26 -4.95 119.36 102.95 1rnr n ILE 332 Ca -0.00 -5.08 0.22 0.00 -0.27 0.00 0.00 62.75 57.62 1rnr n ILE 332 Cb 0.28 -1.76 0.73 0.00 -1.74 0.00 0.00 39.64 37.15 1rnr n ILE 332 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 1rnr h PRO 333 N 3.75 0.00 -0.09 6.28 0.11 -2.00 -1.10 132.00 138.94 1rnr h PRO 333 Ca 0.15 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.29 1rnr h PRO 333 Cb 0.68 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 1rnr h PRO 333 CO 0.75 0.00 0.17 0.11 -0.21 0.00 0.00 178.00 178.82 1rnr h TRP 334 N 0.00 0.00 -0.05 0.65 5.08 -1.96 -2.68 115.95 116.99 1rnr h TRP 334 Ca 0.26 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 60.15 1rnr h TRP 334 Cb 1.25 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.40 1rnr h TRP 334 CO 0.00 0.00 -0.35 0.97 -1.28 0.00 0.00 178.44 177.78 1rnr h ILE 335 N 0.00 1.27 0.00 0.12 2.10 -1.62 -2.65 117.51 116.74 1rnr h ILE 335 Ca 0.04 -1.30 0.00 0.00 1.08 0.00 0.00 64.86 64.69 1rnr h ILE 335 Cb 0.39 1.63 0.00 0.00 -1.09 0.00 0.00 36.82 37.75 1rnr h ILE 335 CO -0.00 0.38 0.00 0.78 -1.08 0.00 0.00 178.15 178.23 1rnr h ASN 336 N 0.09 0.00 1.47 2.19 -0.26 -1.69 0.38 115.58 117.77 1rnr h ASN 336 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1rnr h ASN 336 Cb 0.67 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.93 1rnr h ASN 336 CO 0.05 0.00 0.00 0.74 -1.06 0.00 0.00 177.43 177.16 1rnr h THR 337 N 0.00 0.00 0.00 2.81 2.02 -1.67 -3.28 112.91 112.79 1rnr h THR 337 Ca 0.00 -0.72 -0.23 0.00 0.77 0.00 0.00 66.41 66.22 1rnr h THR 337 Cb 0.02 1.72 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 1rnr h THR 337 CO 0.00 0.00 -1.91 0.79 0.37 0.00 0.00 175.52 174.77 1rnr n TRP 338 N -3.06 0.00 0.00 3.16 7.02 0.02 -4.96 117.44 119.63 1rnr n TRP 338 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 1rnr n TRP 338 Cb 0.41 -0.65 0.00 0.00 -2.42 0.00 0.00 31.31 28.65 1rnr n TRP 338 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1rnr n LEU 339 N -2.48 0.00 0.00 -0.99 4.77 -0.58 -4.82 117.00 112.90 1rnr n LEU 339 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1rnr n LEU 339 Cb 0.91 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 1rnr n LEU 339 CO 0.29 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 176.87