#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mrr s TYR 2 N 0.00 3.26 0.04 0.00 5.04 -1.26 -5.03 117.35 119.40 1mrr s TYR 2 Ca 0.00 1.17 0.04 0.00 -2.44 0.00 0.00 57.07 55.84 1mrr s TYR 2 Cb 0.00 -3.61 -0.02 0.00 0.35 0.00 0.00 41.96 38.68 1mrr s TYR 2 CO 0.00 -1.96 -0.12 -0.08 -1.34 0.00 0.00 175.55 172.05 1mrr s THR 3 N 0.37 0.97 -0.30 4.34 -1.32 -1.26 -5.03 115.64 113.40 1mrr s THR 3 Ca 0.58 -0.99 0.26 0.00 -1.21 0.00 0.00 61.69 60.34 1mrr s THR 3 Cb -0.36 -0.90 0.35 0.00 -1.51 0.00 0.00 72.50 70.08 1mrr s THR 3 CO 0.36 -0.07 1.72 0.71 -2.21 0.00 0.00 174.62 175.13 1mrr h THR 4 N 4.52 0.00 -2.54 5.08 1.35 -1.96 -3.39 112.91 115.96 1mrr h THR 4 Ca -0.37 -0.84 -0.43 0.00 -0.55 0.00 0.00 66.41 64.22 1mrr h THR 4 Cb 1.19 1.83 -0.37 0.00 -1.73 0.00 0.00 68.15 69.07 1mrr h THR 4 CO 0.43 0.00 -0.71 0.12 -0.25 0.00 0.00 175.52 175.11 1mrr s PHE 5 N -3.33 -0.03 0.24 4.73 5.36 -1.26 -4.81 117.98 118.88 1mrr s PHE 5 Ca 0.06 -0.49 -0.30 0.00 -0.96 0.00 0.00 56.93 55.24 1mrr s PHE 5 Cb 0.06 -0.68 -0.09 0.00 -0.34 0.00 0.00 43.02 41.97 1mrr s PHE 5 CO 0.63 -0.83 1.09 -1.54 -1.46 0.00 0.00 175.22 173.12 1mrr s SER 6 N 2.22 7.28 -0.20 6.13 1.04 -1.26 -4.96 113.70 123.96 1mrr s SER 6 Ca 0.09 2.20 0.07 0.00 0.48 0.00 0.00 55.95 58.78 1mrr s SER 6 Cb -0.15 -2.62 0.50 0.00 0.10 0.00 0.00 66.02 63.85 1mrr s SER 6 CO -0.32 -0.16 1.40 0.00 0.98 0.00 0.00 173.24 175.14 1mrr n ALA 7 N 1.60 3.75 -3.07 5.32 0.00 -1.26 -4.76 120.51 122.09 1mrr n ALA 7 Ca 0.00 -1.43 -0.34 0.00 0.00 0.00 0.00 53.44 51.67 1mrr n ALA 7 Cb 0.45 -1.15 -0.13 0.00 0.00 0.00 0.00 19.45 18.62 1mrr n ALA 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1mrr s THR 8 N -2.13 3.64 -0.18 0.00 2.01 -1.26 -5.04 115.64 112.68 1mrr s THR 8 Ca 0.36 -0.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.62 1mrr s THR 8 Cb 0.28 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 1mrr s THR 8 CO 0.09 0.48 1.71 -0.75 -0.69 0.00 0.00 174.62 175.46 1mrr s LYS 9 N 0.58 3.80 0.19 4.92 2.20 -1.26 -4.97 119.74 125.19 1mrr s LYS 9 Ca -0.04 1.83 0.06 0.00 -0.36 0.00 0.00 55.97 57.46 1mrr s LYS 9 Cb -0.15 -4.07 -0.05 0.00 -1.51 0.00 0.00 37.83 32.05 1mrr s LYS 9 CO 0.03 -1.30 -0.10 0.54 -0.36 0.00 0.00 175.35 174.15 1mrr s ASN 10 N 4.56 2.12 -0.55 1.43 4.22 -1.26 -5.08 114.94 120.39 1mrr s ASN 10 Ca 0.76 -1.05 -0.22 0.00 -2.14 0.00 0.00 52.86 50.21 1mrr s ASN 10 Cb -0.28 -0.06 0.06 0.00 1.28 0.00 0.00 41.25 42.25 1mrr s ASN 10 CO 0.31 -0.30 0.80 -0.62 -2.04 0.00 0.00 177.10 175.24 1mrr s ASP 11 N -3.25 6.26 0.45 3.54 -1.08 -1.26 -4.87 116.67 116.46 1mrr s ASP 11 Ca 0.21 -0.73 0.31 0.00 -0.52 0.00 0.00 52.55 51.82 1mrr s ASP 11 Cb 0.02 -2.36 1.49 0.00 -1.46 0.00 0.00 42.92 40.61 1mrr s ASP 11 CO 0.04 -1.10 1.94 1.56 0.52 0.00 0.00 175.17 178.13 1mrr h GLN 12 N 9.20 0.00 0.00 4.34 4.20 -1.97 -1.98 115.11 128.89 1mrr h GLN 12 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1mrr h GLN 12 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1mrr h GLN 12 CO 1.05 0.00 0.00 -0.07 -0.67 0.00 0.00 178.83 179.14 1mrr h LEU 13 N 0.00 0.00 -2.18 1.46 3.38 -1.95 -3.23 115.31 112.79 1mrr h LEU 13 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mrr h LEU 13 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1mrr h LEU 13 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 1mrr n LYS 14 N -3.07 2.32 -2.44 1.13 5.02 -0.75 -4.84 118.16 115.53 1mrr n LYS 14 Ca 0.03 -2.10 -0.33 0.00 -2.02 0.00 0.00 58.31 53.89 1mrr n LYS 14 Cb 0.46 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 1mrr n LYS 14 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1mrr s GLU 15 N -1.55 3.81 0.81 1.97 0.41 -1.20 -5.07 118.70 117.87 1mrr s GLU 15 Ca 0.33 1.17 -0.11 0.00 -0.41 0.00 0.00 54.97 55.95 1mrr s GLU 15 Cb 0.21 -2.11 0.08 0.00 -1.78 0.00 0.00 34.13 30.52 1mrr s GLU 15 CO 0.29 -0.40 1.09 -1.25 -0.49 0.00 0.00 175.26 174.50 1mrr s PRO 16 N -3.65 1.98 0.19 0.39 0.04 -1.26 -4.91 135.00 127.78 1mrr s PRO 16 Ca 0.63 0.88 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 1mrr s PRO 16 Cb -0.13 -1.89 0.22 0.00 0.04 0.00 0.00 34.50 32.75 1mrr s PRO 16 CO 0.26 -1.75 1.70 0.52 0.04 0.00 0.00 177.00 177.76 1mrr h MET 17 N -1.20 0.19 -5.75 4.56 2.86 -1.96 -3.38 114.93 110.25 1mrr h MET 17 Ca -0.46 -0.01 -0.48 0.00 -2.06 0.00 0.00 59.70 56.68 1mrr h MET 17 Cb 1.26 -0.04 -0.19 0.00 0.06 0.00 0.00 31.60 32.69 1mrr h MET 17 CO 0.55 0.12 -0.78 -0.06 1.06 0.00 0.00 176.91 177.81 1mrr s PHE 18 N -6.14 1.63 0.00 -0.22 0.08 -1.26 -0.51 117.98 111.56 1mrr s PHE 18 Ca -0.13 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.42 1mrr s PHE 18 Cb 0.16 -0.84 0.00 0.00 -0.57 0.00 0.00 43.02 41.77 1mrr s PHE 18 CO 0.73 0.23 0.00 1.19 -0.10 0.00 0.00 175.22 177.27 1mrr n PHE 19 N 0.54 0.00 -0.05 0.36 3.72 0.36 -4.87 117.46 117.51 1mrr n PHE 19 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1mrr n PHE 19 Cb 0.56 -1.11 0.00 0.00 -0.94 0.00 0.00 39.48 37.99 1mrr n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1mrr n GLY 20 N -1.29 0.33 3.76 1.37 0.00 -1.26 -5.00 105.19 103.09 1mrr n GLY 20 Ca 0.00 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 1mrr n GLY 20 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mrr s GLN 21 N 0.14 4.45 0.29 1.61 0.74 -1.26 -4.86 119.66 120.77 1mrr s GLN 21 Ca 0.00 2.04 -0.29 0.00 0.05 0.00 0.00 55.36 57.16 1mrr s GLN 21 Cb 0.00 -3.15 -0.13 0.00 1.10 0.00 0.00 33.01 30.83 1mrr s GLN 21 CO 0.00 -0.10 1.21 -2.30 -0.55 0.00 0.00 175.29 173.56 1mrr n PRO 22 N 1.54 1.79 -1.97 1.67 -0.02 -1.26 -4.41 135.00 132.33 1mrr n PRO 22 Ca 0.02 0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 1mrr n PRO 22 Cb 0.43 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 1mrr n PRO 22 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1mrr s VAL 23 N -0.82 2.51 0.07 -1.45 1.01 -1.26 -4.53 120.40 115.93 1mrr s VAL 23 Ca 0.60 0.45 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1mrr s VAL 23 Cb -0.65 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1mrr s VAL 23 CO 0.58 0.08 0.00 0.00 0.00 0.00 0.00 175.10 175.77 1mrr n GLN 24 N 1.80 0.00 -2.62 2.72 0.00 -1.26 -4.48 117.38 113.53 1mrr n GLN 24 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 57.00 56.63 1mrr n GLN 24 Cb 0.40 -0.32 -0.03 0.00 0.00 0.00 0.00 30.24 30.29 1mrr n GLN 24 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1mrr s VAL 25 N -1.65 4.49 -0.49 -0.39 1.01 -1.26 -4.97 120.40 117.14 1mrr s VAL 25 Ca 0.00 1.86 -0.19 0.00 0.00 0.00 0.00 61.98 63.65 1mrr s VAL 25 Cb 0.00 -4.19 0.05 0.00 0.00 0.00 0.00 36.38 32.24 1mrr s VAL 25 CO 0.00 0.18 0.58 0.00 0.00 0.00 0.00 175.10 175.86 1mrr s ALA 26 N 0.74 3.41 0.16 5.51 0.00 -1.26 -4.86 121.76 125.46 1mrr s ALA 26 Ca 0.53 -1.72 0.09 0.00 0.00 0.00 0.00 51.96 50.86 1mrr s ALA 26 Cb -0.24 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1mrr s ALA 26 CO 0.29 -1.91 -0.21 -0.98 0.00 0.00 0.00 175.76 172.95 1mrr s ARG 27 N 2.47 1.32 -0.03 0.00 1.70 -1.26 -5.05 118.95 118.11 1mrr s ARG 27 Ca 0.14 -1.39 0.04 0.00 -0.47 0.00 0.00 55.73 54.05 1mrr s ARG 27 Cb -0.19 -1.53 0.06 0.00 -0.57 0.00 0.00 34.95 32.72 1mrr s ARG 27 CO 0.12 0.33 0.89 0.66 -1.08 0.00 0.00 175.30 176.22 1mrr n TYR 28 N 0.49 0.00 0.16 5.89 4.01 -1.26 -4.72 117.16 121.73 1mrr n TYR 28 Ca -0.15 -0.35 0.04 0.00 -0.16 0.00 0.00 57.90 57.29 1mrr n TYR 28 Cb 0.56 -0.06 0.11 0.00 -0.31 0.00 0.00 39.34 39.64 1mrr n TYR 28 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1mrr h ASP 29 N 0.00 0.00 -4.45 7.72 2.03 -2.04 -3.45 116.42 116.22 1mrr h ASP 29 Ca 0.00 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.14 1mrr h ASP 29 Cb 0.96 0.00 -0.23 0.00 -0.83 0.00 0.00 39.33 39.23 1mrr h ASP 29 CO 0.00 0.44 -0.51 0.00 -1.03 0.00 0.00 179.24 178.14 1mrr s GLN 30 N -3.11 0.35 0.01 4.15 -2.07 -1.26 -5.16 119.66 112.57 1mrr s GLN 30 Ca 0.03 -0.12 0.01 0.00 -1.82 0.00 0.00 55.36 53.46 1mrr s GLN 30 Cb 0.08 0.15 -0.01 0.00 -1.09 0.00 0.00 33.01 32.14 1mrr s GLN 30 CO 0.72 -0.07 -0.04 1.14 -1.32 0.00 0.00 175.29 175.72 1mrr s GLN 31 N -0.74 0.28 0.01 9.60 0.00 -1.26 -4.94 119.66 122.62 1mrr s GLN 31 Ca -0.08 -0.30 -0.25 0.00 -0.00 0.00 0.00 55.36 54.73 1mrr s GLN 31 Cb -0.05 -0.17 -0.17 0.00 0.00 0.00 0.00 33.01 32.63 1mrr s GLN 31 CO 0.01 0.04 1.26 -0.22 0.00 0.00 0.00 175.29 176.38 1mrr h LYS 32 N 5.57 -0.40 -4.69 9.60 3.64 -1.88 -3.41 116.57 124.99 1mrr h LYS 32 Ca -0.29 0.03 -0.69 0.00 -1.27 0.00 0.00 60.65 58.43 1mrr h LYS 32 Cb 1.20 0.09 -0.30 0.00 -0.41 0.00 0.00 32.23 32.81 1mrr h LYS 32 CO 0.47 -0.08 -0.63 0.71 -2.27 0.00 0.00 179.45 177.65 1mrr s TYR 33 N -4.74 3.27 -0.83 1.91 2.02 -1.26 -5.01 117.35 112.70 1mrr s TYR 33 Ca -0.14 -1.58 0.23 0.00 -0.37 0.00 0.00 57.07 55.20 1mrr s TYR 33 Cb 0.02 -2.27 0.91 0.00 -0.40 0.00 0.00 41.96 40.23 1mrr s TYR 33 CO 0.55 -0.76 1.71 -0.40 -1.57 0.00 0.00 175.55 175.09 1mrr n ASP 34 N 4.75 0.31 -0.13 2.29 5.68 -1.26 -3.28 116.55 124.91 1mrr n ASP 34 Ca -0.12 0.55 0.04 0.00 -0.50 0.00 0.00 54.79 54.75 1mrr n ASP 34 Cb 0.44 -0.63 0.35 0.00 -1.14 0.00 0.00 41.12 40.14 1mrr n ASP 34 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1mrr h ILE 35 N 0.00 1.11 -0.14 2.12 6.09 -1.99 -0.46 117.51 124.24 1mrr h ILE 35 Ca 0.00 -0.26 -0.11 0.00 -1.37 0.00 0.00 64.86 63.11 1mrr h ILE 35 Cb 0.44 0.28 -0.01 0.00 0.47 0.00 0.00 36.82 38.00 1mrr h ILE 35 CO 0.00 0.14 -0.41 -0.26 -3.07 0.00 0.00 178.15 174.55 1mrr h PHE 36 N 0.76 0.37 -0.44 2.19 0.04 -1.89 -0.75 116.94 117.22 1mrr h PHE 36 Ca 0.24 -0.10 -0.09 0.00 2.80 0.00 0.00 57.97 60.82 1mrr h PHE 36 Cb 0.02 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 1mrr h PHE 36 CO -0.00 0.68 -0.07 1.49 -0.60 0.00 0.00 178.31 179.81 1mrr h GLU 37 N 0.27 0.83 -0.56 1.51 4.57 -1.57 -1.83 114.58 117.79 1mrr h GLU 37 Ca 0.02 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1mrr h GLU 37 Cb 0.84 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.35 1mrr h GLU 37 CO 0.07 0.93 0.35 0.87 -1.18 0.00 0.00 179.01 180.04 1mrr h LYS 38 N 0.66 0.76 -0.19 1.92 6.56 -0.45 -2.14 116.57 123.69 1mrr h LYS 38 Ca 0.12 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.63 1mrr h LYS 38 Cb 0.60 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 32.09 1mrr h LYS 38 CO 0.04 0.54 0.07 -0.07 -2.06 0.00 0.00 179.45 177.97 1mrr h LEU 39 N 0.76 0.27 -0.12 2.94 3.38 -1.05 -0.61 115.31 120.89 1mrr h LEU 39 Ca 0.20 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1mrr h LEU 39 Cb -0.03 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 1mrr h LEU 39 CO -0.04 0.37 -0.16 0.40 0.09 0.00 0.00 178.44 179.10 1mrr h ILE 40 N 0.15 0.57 -0.77 1.22 2.04 -1.23 0.71 117.51 120.20 1mrr h ILE 40 Ca 0.06 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.05 1mrr h ILE 40 Cb 0.19 0.57 -0.08 0.00 -0.74 0.00 0.00 36.82 36.75 1mrr h ILE 40 CO -0.00 0.00 0.37 -0.33 0.00 0.00 0.00 178.15 178.18 1mrr h GLU 41 N -0.21 0.55 -0.29 2.37 5.08 -1.12 -1.17 114.58 119.78 1mrr h GLU 41 Ca 0.09 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.23 1mrr h GLU 41 Cb 0.35 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1mrr h GLU 41 CO -0.24 0.37 -0.55 -0.22 -1.00 0.00 0.00 179.01 177.37 1mrr h LYS 42 N 0.57 0.89 -0.51 2.33 1.63 -0.56 -1.34 116.57 119.57 1mrr h LYS 42 Ca 0.40 -0.56 -0.05 0.00 -0.85 0.00 0.00 60.65 59.58 1mrr h LYS 42 Cb 0.53 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 1mrr h LYS 42 CO -0.33 1.20 0.11 0.37 -3.45 0.00 0.00 179.45 177.35 1mrr h GLN 43 N 0.68 0.84 -0.42 1.90 5.75 -0.43 -2.42 115.11 121.01 1mrr h GLN 43 Ca 0.01 -0.21 -0.06 0.00 -0.15 0.00 0.00 58.65 58.24 1mrr h GLN 43 Cb 1.16 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.59 1mrr h GLN 43 CO 0.12 0.81 0.01 -0.07 -2.65 0.00 0.00 178.83 177.05 1mrr h LEU 44 N 0.72 0.63 -1.07 -2.39 3.38 -1.07 -2.09 115.31 113.43 1mrr h LEU 44 Ca 0.16 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.06 1mrr h LEU 44 Cb 0.36 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1mrr h LEU 44 CO 0.01 0.70 0.62 0.28 0.09 0.00 0.00 178.44 180.14 1mrr h SER 45 N 0.63 0.99 -0.10 -0.43 0.02 -0.86 -2.60 113.55 111.21 1mrr h SER 45 Ca 0.13 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1mrr h SER 45 Cb 0.38 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1mrr h SER 45 CO 0.01 0.64 0.00 0.49 -1.14 0.00 0.00 176.83 176.83 1mrr n PHE 46 N -4.49 0.19 -1.68 3.45 3.72 -0.79 -4.91 117.46 112.95 1mrr n PHE 46 Ca 0.14 -0.08 -0.44 0.00 -0.05 0.00 0.00 57.45 57.02 1mrr n PHE 46 Cb 0.18 -0.06 -0.04 0.00 -0.94 0.00 0.00 39.48 38.62 1mrr n PHE 46 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1mrr n PHE 47 N -0.10 2.51 -4.16 1.38 7.35 -0.98 -4.96 117.46 118.50 1mrr n PHE 47 Ca 0.04 -0.10 -0.11 0.00 -0.76 0.00 0.00 57.45 56.51 1mrr n PHE 47 Cb 0.19 -2.71 -0.10 0.00 0.35 0.00 0.00 39.48 37.21 1mrr n PHE 47 CO 0.00 0.00 0.00 1.67 -0.76 0.00 0.00 176.76 177.67 1mrr s TRP 48 N 3.04 0.87 -0.23 -5.13 1.48 -1.26 -5.13 118.94 112.59 1mrr s TRP 48 Ca 0.85 -0.87 0.00 0.00 -1.06 0.00 0.00 56.10 55.02 1mrr s TRP 48 Cb -0.54 -0.51 0.03 0.00 -1.16 0.00 0.00 33.47 31.29 1mrr s TRP 48 CO 0.41 -0.14 -0.11 1.03 -4.06 0.00 0.00 176.95 174.08 1mrr s ARG 49 N -3.62 2.75 0.25 3.25 1.81 -1.26 -5.04 118.95 117.10 1mrr s ARG 49 Ca 0.10 -1.01 -0.03 0.00 -1.72 0.00 0.00 55.73 53.06 1mrr s ARG 49 Cb 0.04 -2.85 0.46 0.00 -0.45 0.00 0.00 34.95 32.15 1mrr s ARG 49 CO -0.04 -0.38 1.78 -1.00 -0.68 0.00 0.00 175.30 174.98 1mrr h PRO 50 N 7.94 0.67 -0.84 3.54 0.13 -1.94 -2.94 132.00 138.55 1mrr h PRO 50 Ca -0.33 -0.04 0.20 0.00 -0.87 0.00 0.00 66.00 64.96 1mrr h PRO 50 Cb 1.10 -0.15 -0.05 0.00 0.13 0.00 0.00 31.00 32.03 1mrr h PRO 50 CO 0.57 0.44 0.57 0.93 -0.23 0.00 0.00 178.00 180.28 1mrr h GLU 51 N 0.69 0.26 0.00 0.86 3.07 -1.96 -0.63 114.58 116.88 1mrr h GLU 51 Ca 0.42 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 1mrr h GLU 51 Cb 0.51 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1mrr h GLU 51 CO -0.31 0.17 0.00 0.39 -1.40 0.00 0.00 179.01 177.87 1mrr n GLU 52 N -4.44 0.66 -3.30 2.33 1.02 -1.11 -4.66 120.64 111.14 1mrr n GLU 52 Ca 0.17 0.01 -0.39 0.00 -0.02 0.00 0.00 57.16 56.94 1mrr n GLU 52 Cb 0.73 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.58 1mrr n GLU 52 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1mrr s VAL 53 N -2.26 5.14 -0.24 2.62 1.01 -0.24 -5.03 120.40 121.39 1mrr s VAL 53 Ca 0.35 0.89 -0.29 0.00 0.00 0.00 0.00 61.98 62.92 1mrr s VAL 53 Cb 0.19 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1mrr s VAL 53 CO 0.36 0.22 1.59 -0.62 0.00 0.00 0.00 175.10 176.65 1mrr s ASP 54 N 1.04 6.38 -0.13 3.32 2.15 -1.26 -4.89 116.67 123.28 1mrr s ASP 54 Ca 0.23 1.53 0.18 0.00 0.43 0.00 0.00 52.55 54.91 1mrr s ASP 54 Cb -0.15 -2.53 0.29 0.00 -0.30 0.00 0.00 42.92 40.22 1mrr s ASP 54 CO 0.09 -1.28 1.15 1.33 -0.17 0.00 0.00 175.17 176.29 1mrr n VAL 55 N 6.48 1.81 -0.28 1.11 0.24 -1.26 -4.51 118.33 121.92 1mrr n VAL 55 Ca 0.19 -2.22 -0.06 0.00 -2.04 0.00 0.00 64.34 60.20 1mrr n VAL 55 Cb 0.46 -0.20 0.06 0.00 -1.47 0.00 0.00 33.84 32.69 1mrr n VAL 55 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1mrr h SER 56 N 0.08 1.01 0.55 -1.34 4.64 -1.96 -1.76 113.55 114.77 1mrr h SER 56 Ca -0.00 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.13 1mrr h SER 56 Cb 1.02 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 1mrr h SER 56 CO 0.00 0.88 -0.21 -0.09 -0.87 0.00 0.00 176.83 176.54 1mrr h ARG 57 N 1.08 0.00 0.00 4.77 2.43 -2.00 -2.26 114.38 118.39 1mrr h ARG 57 Ca 0.26 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 1mrr h ARG 57 Cb 0.15 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1mrr h ARG 57 CO -0.03 0.21 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.13 1mrr h ASP 58 N 0.00 0.00 -0.32 -3.80 5.19 -1.68 -0.64 116.42 115.18 1mrr h ASP 58 Ca -0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1mrr h ASP 58 Cb 0.54 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.04 1mrr h ASP 58 CO 0.03 0.07 0.09 -0.09 -3.12 0.00 0.00 179.24 176.21 1mrr h ARG 59 N 0.00 0.50 -0.04 3.56 2.43 -1.48 0.10 114.38 119.45 1mrr h ARG 59 Ca -0.00 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1mrr h ARG 59 Cb 0.21 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1mrr h ARG 59 CO 0.01 0.56 0.01 0.82 -1.51 0.00 0.00 179.97 179.86 1mrr h ILE 60 N 0.35 1.17 -0.91 1.20 2.04 -1.59 -0.80 117.51 118.98 1mrr h ILE 60 Ca 0.10 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1mrr h ILE 60 Cb 0.27 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 1mrr h ILE 60 CO -0.00 0.14 0.54 0.44 0.00 0.00 0.00 178.15 179.27 1mrr h ASP 61 N -0.14 1.10 -0.24 1.72 5.19 -1.00 -0.44 116.42 122.61 1mrr h ASP 61 Ca 0.01 -0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.32 1mrr h ASP 61 Cb 0.22 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 1mrr h ASP 61 CO -0.00 0.85 0.02 0.22 -3.12 0.00 0.00 179.24 177.20 1mrr h TYR 62 N 1.26 0.45 -0.71 4.55 3.20 -0.74 -2.58 116.97 122.39 1mrr h TYR 62 Ca 0.33 -0.07 0.09 0.00 3.14 0.00 0.00 58.73 62.22 1mrr h TYR 62 Cb -0.04 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.03 1mrr h TYR 62 CO 0.01 0.56 0.35 0.37 -1.64 0.00 0.00 178.16 177.81 1mrr h GLN 63 N 0.20 0.59 0.00 1.82 4.15 -0.48 0.09 115.11 121.48 1mrr h GLN 63 Ca 0.07 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1mrr h GLN 63 Cb 0.37 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1mrr h GLN 63 CO 0.01 0.39 0.00 0.00 -1.93 0.00 0.00 178.83 177.30 1mrr n ALA 64 N -2.41 1.82 -1.88 3.38 0.00 -0.23 -4.83 120.51 116.36 1mrr n ALA 64 Ca 0.11 0.01 -0.41 0.00 0.00 0.00 0.00 53.44 53.15 1mrr n ALA 64 Cb 0.27 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 1mrr n ALA 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1mrr s LEU 65 N -3.87 4.40 0.33 0.00 1.43 0.02 -4.99 118.68 115.99 1mrr s LEU 65 Ca 0.07 2.62 -0.28 0.00 -1.03 0.00 0.00 54.13 55.51 1mrr s LEU 65 Cb 0.11 -3.63 -0.13 0.00 0.03 0.00 0.00 46.19 42.57 1mrr s LEU 65 CO 0.40 -0.63 1.24 -0.81 0.23 0.00 0.00 176.35 176.78 1mrr n PRO 66 N 1.99 1.96 -0.33 1.29 -0.04 -1.26 -4.73 135.00 133.89 1mrr n PRO 66 Ca 0.05 0.69 0.19 0.00 -0.04 0.00 0.00 63.50 64.39 1mrr n PRO 66 Cb 0.41 -2.23 0.40 0.00 -0.04 0.00 0.00 33.50 32.04 1mrr n PRO 66 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1mrr h GLU 67 N 2.52 0.41 -0.49 0.54 4.39 -1.96 0.78 114.58 120.77 1mrr h GLU 67 Ca -0.45 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.10 1mrr h GLU 67 Cb 1.29 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 1mrr h GLU 67 CO 0.63 0.27 -0.21 1.12 -1.16 0.00 0.00 179.01 179.67 1mrr h HIS 68 N 0.43 1.13 0.00 4.33 2.07 -1.90 -0.74 115.15 120.47 1mrr h HIS 68 Ca 0.66 -0.27 0.00 0.00 -2.85 0.00 0.00 60.37 57.91 1mrr h HIS 68 Cb 1.37 -0.27 0.00 0.00 2.57 0.00 0.00 27.41 31.08 1mrr h HIS 68 CO -0.05 1.09 -0.21 1.05 -3.07 0.00 0.00 177.93 176.75 1mrr h GLU 69 N 0.86 0.00 -0.58 5.12 4.11 -1.23 -2.50 114.58 120.35 1mrr h GLU 69 Ca 0.11 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.48 1mrr h GLU 69 Cb 0.78 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1mrr h GLU 69 CO 0.06 0.00 0.09 -0.22 0.07 0.00 0.00 179.01 179.01 1mrr h LYS 70 N 0.00 0.93 -0.31 1.06 3.64 -0.94 -0.59 116.57 120.36 1mrr h LYS 70 Ca 0.00 -0.23 -0.09 0.00 -1.27 0.00 0.00 60.65 59.06 1mrr h LYS 70 Cb 0.89 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1mrr h LYS 70 CO 0.00 0.87 -0.18 1.25 -2.27 0.00 0.00 179.45 179.12 1mrr h HIS 71 N 0.88 0.62 -0.21 1.91 2.76 -0.82 -1.67 115.15 118.61 1mrr h HIS 71 Ca 0.18 -0.12 -0.09 0.00 -2.20 0.00 0.00 60.37 58.14 1mrr h HIS 71 Cb 0.39 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.19 1mrr h HIS 71 CO 0.02 0.71 -0.23 0.82 -1.30 0.00 0.00 177.93 177.95 1mrr h ILE 72 N 0.51 1.33 0.11 6.26 2.04 -0.95 -2.34 117.51 124.46 1mrr h ILE 72 Ca 0.08 -1.41 -0.00 0.00 1.00 0.00 0.00 64.86 64.53 1mrr h ILE 72 Cb 0.60 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1mrr h ILE 72 CO 0.04 0.43 -0.07 0.15 0.00 0.00 0.00 178.15 178.70 1mrr h PHE 73 N 0.21 -0.18 -0.13 1.37 3.57 -1.03 -1.79 116.94 118.96 1mrr h PHE 73 Ca 0.03 -0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.34 1mrr h PHE 73 Cb 0.79 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 1mrr h PHE 73 CO 0.08 -0.11 -0.69 0.97 -2.23 0.00 0.00 178.31 176.33 1mrr h ILE 74 N -0.17 1.34 -0.42 1.41 6.09 -1.36 -1.72 117.51 122.67 1mrr h ILE 74 Ca -0.01 -2.01 -0.08 0.00 -1.37 0.00 0.00 64.86 61.40 1mrr h ILE 74 Cb 0.15 1.99 -0.02 0.00 0.47 0.00 0.00 36.82 39.41 1mrr h ILE 74 CO 0.00 0.62 -0.06 0.28 -3.07 0.00 0.00 178.15 175.92 1mrr h SER 75 N 0.38 0.69 -0.42 2.19 0.02 -1.37 0.47 113.55 115.52 1mrr h SER 75 Ca -0.02 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.68 1mrr h SER 75 Cb 1.27 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 1mrr h SER 75 CO 0.13 0.80 -0.01 -1.13 -1.14 0.00 0.00 176.83 175.48 1mrr h ASN 76 N 0.66 0.73 -0.38 3.07 -1.24 -1.08 -2.52 115.58 114.83 1mrr h ASN 76 Ca 0.12 -0.31 -0.01 0.00 0.71 0.00 0.00 56.30 56.81 1mrr h ASN 76 Cb 0.50 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.33 1mrr h ASN 76 CO 0.03 0.87 0.19 0.25 -1.29 0.00 0.00 177.43 177.48 1mrr h LEU 77 N 0.58 0.49 -1.79 0.34 5.85 -0.89 -1.89 115.31 118.00 1mrr h LEU 77 Ca 0.12 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1mrr h LEU 77 Cb 0.50 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1mrr h LEU 77 CO 0.02 0.47 0.07 0.11 -0.34 0.00 0.00 178.44 178.78 1mrr h LYS 78 N 0.48 0.21 0.09 1.25 1.57 -0.82 -0.77 116.57 118.59 1mrr h LYS 78 Ca 0.13 -0.02 -0.29 0.00 -1.87 0.00 0.00 60.65 58.60 1mrr h LYS 78 Cb 0.10 -0.04 0.03 0.00 0.08 0.00 0.00 32.23 32.39 1mrr h LYS 78 CO -0.02 0.17 -1.20 -0.92 -0.57 0.00 0.00 179.45 176.91 1mrr h TYR 79 N 0.21 1.03 -0.57 -1.35 3.20 -1.01 -2.53 116.97 115.96 1mrr h TYR 79 Ca 0.06 -0.63 0.04 0.00 3.14 0.00 0.00 58.73 61.34 1mrr h TYR 79 Cb 0.03 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 1mrr h TYR 79 CO 0.00 1.46 0.32 1.96 -1.64 0.00 0.00 178.16 180.27 1mrr h GLN 80 N 0.30 0.61 -0.82 1.82 4.20 -0.81 -0.81 115.11 119.60 1mrr h GLN 80 Ca -0.18 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 1mrr h GLN 80 Cb 1.86 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 29.47 1mrr h GLN 80 CO 0.23 0.40 0.42 1.15 -0.67 0.00 0.00 178.83 180.36 1mrr h THR 81 N 0.63 1.25 -0.03 -0.54 2.02 -1.18 -1.32 112.91 113.74 1mrr h THR 81 Ca 0.24 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1mrr h THR 81 Cb 0.08 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 1mrr h THR 81 CO -0.13 0.29 0.02 0.25 0.37 0.00 0.00 175.52 176.32 1mrr h LEU 82 N 1.16 0.03 -0.11 2.58 7.12 -0.90 -1.49 115.31 123.71 1mrr h LEU 82 Ca 0.29 -0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.28 1mrr h LEU 82 Cb 0.08 -0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.20 1mrr h LEU 82 CO -0.04 0.03 0.02 -0.07 -0.13 0.00 0.00 178.44 178.25 1mrr h LEU 83 N 0.04 0.16 -1.46 2.25 3.38 -0.80 -2.28 115.31 116.60 1mrr h LEU 83 Ca 0.01 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1mrr h LEU 83 Cb -0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1mrr h LEU 83 CO -0.00 0.36 -0.19 0.44 0.09 0.00 0.00 178.44 179.14 1mrr h ASP 84 N -0.04 0.00 -0.50 -0.43 3.32 -1.23 -0.38 116.42 117.16 1mrr h ASP 84 Ca 0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1mrr h ASP 84 Cb 0.26 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1mrr h ASP 84 CO 0.00 0.19 0.28 0.28 -1.72 0.00 0.00 179.24 178.27 1mrr h SER 85 N 0.00 0.61 0.16 6.45 0.02 -0.95 -0.08 113.55 119.76 1mrr h SER 85 Ca -0.00 -0.08 -0.19 0.00 -0.84 0.00 0.00 61.79 60.68 1mrr h SER 85 Cb 0.58 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 1mrr h SER 85 CO 0.02 0.51 -0.71 0.40 -1.14 0.00 0.00 176.83 175.91 1mrr h ILE 86 N 0.66 1.35 0.00 3.27 2.04 -0.80 -3.02 117.51 121.02 1mrr h ILE 86 Ca 0.18 -2.07 0.00 0.00 1.00 0.00 0.00 64.86 63.97 1mrr h ILE 86 Cb 0.03 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1mrr h ILE 86 CO -0.03 0.63 0.00 1.56 0.00 0.00 0.00 178.15 180.31 1mrr h GLN 87 N 0.34 0.00 0.06 2.37 1.08 -0.84 -0.50 115.11 117.62 1mrr h GLN 87 Ca -0.03 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1mrr h GLN 87 Cb 1.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1mrr h GLN 87 CO 0.13 0.00 -0.03 0.78 -0.95 0.00 0.00 178.83 178.76 1mrr h GLY 88 N 3.47 -0.08 1.06 3.46 0.00 -0.88 -3.38 103.07 106.72 1mrr h GLY 88 Ca 0.00 0.03 -0.29 0.00 0.00 0.00 0.00 47.33 47.07 1mrr h GLY 88 CO 0.00 -0.03 -1.65 0.07 0.00 0.00 0.00 176.54 174.93 1mrr h ARG 89 N -0.74 0.03 -0.12 4.80 0.11 -1.56 -3.42 114.38 113.47 1mrr h ARG 89 Ca -0.01 -0.05 -0.18 0.00 0.10 0.00 0.00 59.98 59.85 1mrr h ARG 89 Cb 0.61 0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.70 1mrr h ARG 89 CO 0.01 0.61 -0.67 0.77 0.10 0.00 0.00 179.97 180.80 1mrr h SER 90 N 0.01 0.58 -0.85 0.08 0.02 -1.26 -1.49 113.55 110.63 1mrr h SER 90 Ca -0.27 -0.35 -0.00 0.00 -0.84 0.00 0.00 61.79 60.33 1mrr h SER 90 Cb 1.99 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 64.32 1mrr h SER 90 CO 0.09 1.09 0.53 -0.65 -1.14 0.00 0.00 176.83 176.74 1mrr h PRO 91 N 0.36 1.15 -0.08 3.45 0.11 -1.81 0.33 132.00 135.51 1mrr h PRO 91 Ca -0.02 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 65.95 1mrr h PRO 91 Cb 1.23 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1mrr h PRO 91 CO 0.12 0.79 -0.16 -0.91 -0.21 0.00 0.00 178.00 177.63 1mrr h ASN 92 N 1.17 0.28 0.02 -2.05 2.35 -1.80 -0.16 115.58 115.39 1mrr h ASN 92 Ca 0.31 -0.57 -0.18 0.00 -0.55 0.00 0.00 56.30 55.30 1mrr h ASN 92 Cb -0.08 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 1mrr h ASN 92 CO -0.06 0.80 -0.64 0.58 -1.65 0.00 0.00 177.43 176.45 1mrr h VAL 93 N -0.23 1.32 0.10 2.81 2.07 -1.03 -3.21 116.25 118.08 1mrr h VAL 93 Ca 0.00 -1.92 -0.34 0.00 0.82 0.00 0.00 66.70 65.26 1mrr h VAL 93 Cb 0.75 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 1mrr h VAL 93 CO 0.04 0.60 -1.88 0.00 0.02 0.00 0.00 177.57 176.35 1mrr n ALA 94 N -2.54 0.88 -0.01 1.67 0.00 0.09 -4.63 120.51 115.96 1mrr n ALA 94 Ca -0.04 -0.58 -0.21 0.00 0.00 0.00 0.00 53.44 52.60 1mrr n ALA 94 Cb 0.66 -0.64 -0.14 0.00 0.00 0.00 0.00 19.45 19.34 1mrr n ALA 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1mrr n LEU 95 N -3.67 2.66 -0.18 0.00 4.77 -0.10 -4.50 117.00 115.98 1mrr n LEU 95 Ca -0.32 0.18 0.14 0.00 -0.03 0.00 0.00 56.01 55.97 1mrr n LEU 95 Cb 0.98 -1.08 0.47 0.00 -2.33 0.00 0.00 43.42 41.46 1mrr n LEU 95 CO 0.38 0.86 1.21 0.25 -1.33 0.00 0.00 177.39 178.76 1mrr h LEU 96 N 0.06 0.45 0.00 2.23 5.85 -1.48 -0.07 115.31 122.36 1mrr h LEU 96 Ca -0.44 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1mrr h LEU 96 Cb 2.02 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.98 1mrr h LEU 96 CO 0.07 0.24 0.00 -2.65 -0.34 0.00 0.00 178.44 175.76 1mrr n PRO 97 N -4.49 0.57 0.00 5.25 -0.02 -1.26 -3.67 135.00 131.38 1mrr n PRO 97 Ca 0.14 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.63 1mrr n PRO 97 Cb 0.49 -1.44 -0.01 0.00 -0.02 0.00 0.00 33.50 32.52 1mrr n PRO 97 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1mrr n LEU 98 N -0.94 0.36 -4.78 2.45 4.77 -0.05 -5.00 117.00 113.81 1mrr n LEU 98 Ca 0.12 -0.62 -0.36 0.00 -0.03 0.00 0.00 56.01 55.11 1mrr n LEU 98 Cb 0.05 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1mrr n LEU 98 CO 0.09 0.08 0.73 -0.63 -1.33 0.00 0.00 177.39 176.34 1mrr s ILE 99 N -0.94 3.74 0.00 -0.08 1.01 -1.19 -0.49 121.20 123.25 1mrr s ILE 99 Ca 0.01 1.31 0.00 0.00 0.00 0.00 0.00 60.65 61.97 1mrr s ILE 99 Cb 0.02 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1mrr s ILE 99 CO 0.07 -0.02 0.15 -1.20 0.00 0.00 0.00 174.94 173.94 1mrr n SER 100 N -0.15 0.29 -4.50 3.58 7.64 0.33 -3.98 113.62 116.83 1mrr n SER 100 Ca 0.05 -0.65 -0.32 0.00 1.01 0.00 0.00 58.87 58.97 1mrr n SER 100 Cb 0.50 0.30 -0.12 0.00 -1.01 0.00 0.00 64.21 63.87 1mrr n SER 100 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1mrr s ILE 101 N -0.30 3.12 0.20 0.44 -4.36 -1.25 -4.50 121.20 114.55 1mrr s ILE 101 Ca 0.00 -0.88 -0.09 0.00 -0.26 0.00 0.00 60.65 59.42 1mrr s ILE 101 Cb 0.00 -2.28 0.12 0.00 1.25 0.00 0.00 42.46 41.54 1mrr s ILE 101 CO 0.00 0.47 1.73 1.55 0.24 0.00 0.00 174.94 178.93 1mrr h PRO 102 N 4.89 1.11 0.00 0.37 0.13 -1.89 -2.88 132.00 133.73 1mrr h PRO 102 Ca -0.47 -0.24 -0.04 0.00 -0.87 0.00 0.00 66.00 64.38 1mrr h PRO 102 Cb 1.16 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1mrr h PRO 102 CO 0.50 0.95 -0.20 1.05 -0.23 0.00 0.00 178.00 180.07 1mrr h GLU 103 N 1.05 0.00 0.21 0.86 9.09 -1.92 -1.62 114.58 122.25 1mrr h GLU 103 Ca 0.23 0.00 -0.32 0.00 0.05 0.00 0.00 59.36 59.32 1mrr h GLU 103 Cb 0.30 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.43 1mrr h GLU 103 CO -0.01 0.20 -1.45 1.25 0.05 0.00 0.00 179.01 179.05 1mrr h LEU 104 N 0.00 0.69 -0.62 3.06 5.85 -1.90 -2.25 115.31 120.13 1mrr h LEU 104 Ca -0.00 -0.77 0.08 0.00 0.84 0.00 0.00 57.88 58.03 1mrr h LEU 104 Cb 0.45 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 1mrr h LEU 104 CO 0.03 1.61 0.27 -0.08 -0.34 0.00 0.00 178.44 179.93 1mrr h GLU 105 N 0.12 0.48 0.00 1.25 4.81 -1.12 0.26 114.58 120.38 1mrr h GLU 105 Ca -0.23 -0.03 -0.27 0.00 -0.13 0.00 0.00 59.36 58.70 1mrr h GLU 105 Cb 2.11 -0.11 0.02 0.00 0.63 0.00 0.00 28.75 31.40 1mrr h GLU 105 CO 0.24 0.32 -1.04 1.15 -0.73 0.00 0.00 179.01 178.94 1mrr h THR 106 N 0.49 1.28 -0.82 0.32 2.02 -1.43 -2.53 112.91 112.24 1mrr h THR 106 Ca 0.30 -2.25 0.06 0.00 0.77 0.00 0.00 66.41 65.30 1mrr h THR 106 Cb 0.31 2.39 -0.06 0.00 -1.74 0.00 0.00 68.15 69.05 1mrr h THR 106 CO -0.26 0.70 0.50 -0.25 0.37 0.00 0.00 175.52 176.58 1mrr h TRP 107 N 0.39 0.92 -0.64 3.16 2.91 -1.03 0.27 115.95 121.93 1mrr h TRP 107 Ca -0.13 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 59.83 1mrr h TRP 107 Cb 1.70 -0.29 -0.03 0.00 -0.51 0.00 0.00 29.16 30.03 1mrr h TRP 107 CO 0.10 0.46 0.08 0.28 -1.03 0.00 0.00 178.44 178.33 1mrr h VAL 108 N 0.91 1.26 0.00 2.65 2.07 -0.90 0.11 116.25 122.35 1mrr h VAL 108 Ca 0.36 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1mrr h VAL 108 Cb 0.19 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1mrr h VAL 108 CO -0.18 0.39 -0.09 -0.33 0.02 0.00 0.00 177.57 177.38 1mrr h GLU 109 N 1.00 0.00 0.13 1.57 5.08 -0.91 -1.15 114.58 120.29 1mrr h GLU 109 Ca 0.19 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.27 1mrr h GLU 109 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1mrr h GLU 109 CO 0.02 0.09 -1.32 1.15 -1.00 0.00 0.00 179.01 177.95 1mrr h THR 110 N 0.00 1.41 -0.10 1.13 2.02 -0.07 -2.66 112.91 114.64 1mrr h THR 110 Ca -0.00 -2.99 -0.02 0.00 0.77 0.00 0.00 66.41 64.17 1mrr h THR 110 Cb 0.77 2.90 -0.00 0.00 -1.74 0.00 0.00 68.15 70.07 1mrr h THR 110 CO 0.01 0.87 0.00 -0.25 0.37 0.00 0.00 175.52 176.53 1mrr h TRP 111 N 0.07 0.20 -0.38 3.16 7.01 -0.57 -1.44 115.95 124.01 1mrr h TRP 111 Ca -0.16 -0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.71 1mrr h TRP 111 Cb 1.99 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 28.98 1mrr h TRP 111 CO 0.06 0.43 -0.15 0.00 -2.79 0.00 0.00 178.44 175.99 1mrr h ALA 112 N 0.75 1.04 0.14 2.65 0.00 -1.31 -2.96 119.26 119.57 1mrr h ALA 112 Ca 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1mrr h ALA 112 Cb 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1mrr h ALA 112 CO 0.00 0.58 -0.07 0.35 0.00 0.00 0.00 179.25 180.12 1mrr h PHE 113 N 0.62 -0.17 -0.01 0.00 3.57 -1.31 -2.23 116.94 117.40 1mrr h PHE 113 Ca 0.10 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1mrr h PHE 113 Cb 0.60 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 1mrr h PHE 113 CO 0.03 -0.05 0.03 0.66 -2.23 0.00 0.00 178.31 176.75 1mrr h SER 114 N -0.26 0.00 0.22 0.41 4.64 -1.10 0.12 113.55 117.57 1mrr h SER 114 Ca -0.02 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.13 1mrr h SER 114 Cb 0.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1mrr h SER 114 CO 0.03 0.00 -0.68 -0.33 -0.87 0.00 0.00 176.83 174.98 1mrr h GLU 115 N 0.00 0.42 0.00 4.77 4.39 -1.28 -2.60 114.58 120.28 1mrr h GLU 115 Ca 0.00 -0.32 -0.04 0.00 0.34 0.00 0.00 59.36 59.34 1mrr h GLU 115 Cb 0.07 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1mrr h GLU 115 CO -0.00 0.95 -0.20 1.79 -1.16 0.00 0.00 179.01 180.39 1mrr h THR 116 N 0.30 0.56 -0.19 1.13 1.35 -0.50 -0.66 112.91 114.89 1mrr h THR 116 Ca -0.02 -0.95 -0.16 0.00 -0.55 0.00 0.00 66.41 64.73 1mrr h THR 116 Cb 1.24 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 69.29 1mrr h THR 116 CO 0.12 0.19 -0.54 0.40 -0.25 0.00 0.00 175.52 175.44 1mrr h ILE 117 N 0.00 1.32 -0.14 6.82 1.08 -1.37 -0.84 117.51 124.38 1mrr h ILE 117 Ca -0.00 -1.78 -0.03 0.00 -0.39 0.00 0.00 64.86 62.66 1mrr h ILE 117 Cb 0.62 1.76 -0.00 0.00 -3.07 0.00 0.00 36.82 36.12 1mrr h ILE 117 CO 0.03 0.56 -0.02 0.45 -0.69 0.00 0.00 178.15 178.47 1mrr h HIS 118 N 0.44 0.29 -0.50 1.37 3.86 -0.80 -0.57 115.15 119.23 1mrr h HIS 118 Ca 0.01 -0.06 0.10 0.00 -1.16 0.00 0.00 60.37 59.26 1mrr h HIS 118 Cb 1.08 -0.07 -0.08 0.00 1.06 0.00 0.00 27.41 29.40 1mrr h HIS 118 CO 0.05 0.53 -0.01 0.77 0.86 0.00 0.00 177.93 180.13 1mrr h SER 119 N -0.03 -0.23 -0.96 2.45 0.02 -1.00 -1.96 113.55 111.84 1mrr h SER 119 Ca 0.04 0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 1mrr h SER 119 Cb 0.43 0.22 -0.06 0.00 0.14 0.00 0.00 62.40 63.12 1mrr h SER 119 CO 0.01 -0.08 0.62 0.03 -1.14 0.00 0.00 176.83 176.27 1mrr h ARG 120 N 0.11 1.06 -0.30 3.45 3.08 -0.78 -1.45 114.38 119.55 1mrr h ARG 120 Ca 0.25 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 1mrr h ARG 120 Cb 0.39 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1mrr h ARG 120 CO -0.43 0.70 -0.10 0.66 -1.07 0.00 0.00 179.97 179.74 1mrr h SER 121 N 1.09 0.48 -0.40 7.04 4.64 -0.37 -1.40 113.55 124.63 1mrr h SER 121 Ca 0.41 -0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.56 1mrr h SER 121 Cb 0.20 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1mrr h SER 121 CO -0.16 0.62 0.03 1.88 -0.87 0.00 0.00 176.83 178.32 1mrr h TYR 122 N 0.47 0.75 -0.68 4.77 0.05 -0.77 -0.79 116.97 120.76 1mrr h TYR 122 Ca 0.09 -0.12 0.08 0.00 0.05 0.00 0.00 58.73 58.83 1mrr h TYR 122 Cb 0.46 -0.20 -0.06 0.00 1.01 0.00 0.00 36.73 37.93 1mrr h TYR 122 CO 0.02 0.75 0.36 1.15 -1.05 0.00 0.00 178.16 179.38 1mrr h THR 123 N 0.53 0.91 -0.80 -2.88 2.02 -1.21 -0.93 112.91 110.54 1mrr h THR 123 Ca 0.12 -0.22 0.05 0.00 0.77 0.00 0.00 66.41 67.13 1mrr h THR 123 Cb 0.43 0.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.00 1mrr h THR 123 CO 0.02 0.12 0.50 -0.74 0.37 0.00 0.00 175.52 175.78 1mrr h HIS 124 N 0.63 0.92 -0.00 3.16 -0.00 -0.16 -1.57 115.15 118.14 1mrr h HIS 124 Ca 0.32 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.71 1mrr h HIS 124 Cb 0.27 -0.30 0.00 0.00 -0.00 0.00 0.00 27.41 27.39 1mrr h HIS 124 CO -0.09 0.49 -0.02 0.82 -0.00 0.00 0.00 177.93 179.12 1mrr h ILE 125 N 0.93 1.58 -0.50 6.26 2.04 -0.53 -3.09 117.51 124.20 1mrr h ILE 125 Ca 0.34 -1.72 0.05 0.00 1.00 0.00 0.00 64.86 64.53 1mrr h ILE 125 Cb 0.11 2.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.88 1mrr h ILE 125 CO -0.15 0.45 0.23 0.40 0.00 0.00 0.00 178.15 179.07 1mrr h ILE 126 N -0.70 0.91 0.00 -0.67 2.04 -1.12 -1.12 117.51 116.84 1mrr h ILE 126 Ca -0.00 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1mrr h ILE 126 Cb 0.75 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1mrr h ILE 126 CO 0.00 0.08 0.00 -0.09 0.00 0.00 0.00 178.15 178.14 1mrr h ARG 127 N 0.44 0.00 0.05 2.37 2.43 -1.37 -1.57 114.38 116.73 1mrr h ARG 127 Ca 0.23 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.06 1mrr h ARG 127 Cb 0.18 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 1mrr h ARG 127 CO -0.19 0.00 -1.97 0.09 -1.51 0.00 0.00 179.97 176.39 1mrr n ASN 128 N -2.98 1.33 0.01 -3.80 5.03 -0.50 -4.63 115.26 109.72 1mrr n ASN 128 Ca -0.01 0.24 0.04 0.00 0.87 0.00 0.00 54.58 55.72 1mrr n ASN 128 Cb 0.19 -0.26 -0.11 0.00 -1.02 0.00 0.00 39.78 38.58 1mrr n ASN 128 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 1mrr n ILE 129 N -3.19 0.77 -4.40 2.41 -5.35 -0.75 -4.54 119.36 104.31 1mrr n ILE 129 Ca -0.27 -0.64 -0.30 0.00 -0.27 0.00 0.00 62.75 61.27 1mrr n ILE 129 Cb 1.06 -0.40 -0.11 0.00 -1.74 0.00 0.00 39.64 38.45 1mrr n ILE 129 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1mrr s VAL 130 N -3.10 3.17 -0.02 7.28 1.01 -0.63 -4.88 120.40 123.24 1mrr s VAL 130 Ca -0.05 -1.20 0.12 0.00 0.00 0.00 0.00 61.98 60.84 1mrr s VAL 130 Cb 0.10 -2.42 -0.13 0.00 0.00 0.00 0.00 36.38 33.92 1mrr s VAL 130 CO 0.84 0.22 1.13 -1.13 0.00 0.00 0.00 175.10 176.16 1mrr h ASN 131 N 4.04 0.00 -3.29 3.32 -0.73 -1.91 -3.41 115.58 113.60 1mrr h ASN 131 Ca -0.49 0.00 -0.57 0.00 1.87 0.00 0.00 56.30 57.12 1mrr h ASN 131 Cb 1.16 0.00 -0.40 0.00 0.27 0.00 0.00 38.32 39.36 1mrr h ASN 131 CO 0.50 0.81 -0.76 -0.62 -0.37 0.00 0.00 177.43 176.99 1mrr s ASP 132 N -6.39 3.68 0.35 1.15 2.15 -1.26 -5.02 116.67 111.32 1mrr s ASP 132 Ca 0.00 -1.32 0.15 0.00 0.43 0.00 0.00 52.55 51.81 1mrr s ASP 132 Cb 0.09 -0.86 1.13 0.00 -0.30 0.00 0.00 42.92 42.98 1mrr s ASP 132 CO 0.80 -0.35 1.64 -0.65 -0.17 0.00 0.00 175.17 176.44 1mrr h PRO 133 N 8.10 0.24 -0.11 4.34 0.11 -1.87 -3.03 132.00 139.78 1mrr h PRO 133 Ca -0.15 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.98 1mrr h PRO 133 Cb 1.06 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1mrr h PRO 133 CO 0.42 0.16 0.16 0.77 -0.21 0.00 0.00 178.00 179.30 1mrr h SER 134 N 0.25 0.00 0.73 -2.05 0.02 -1.98 0.88 113.55 111.40 1mrr h SER 134 Ca 0.75 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.54 1mrr h SER 134 Cb 1.77 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.29 1mrr h SER 134 CO -0.65 0.00 -0.75 -0.37 -1.14 0.00 0.00 176.83 173.92 1mrr h VAL 135 N 0.00 1.53 0.43 2.27 -1.51 -1.96 -0.77 116.25 116.24 1mrr h VAL 135 Ca 0.05 -2.55 -0.02 0.00 -1.23 0.00 0.00 66.70 62.95 1mrr h VAL 135 Cb 0.36 2.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.91 1mrr h VAL 135 CO -0.00 0.73 -0.21 0.58 -1.23 0.00 0.00 177.57 177.44 1mrr h VAL 136 N 0.01 0.24 -0.84 7.19 2.07 -1.05 -2.73 116.25 121.14 1mrr h VAL 136 Ca -0.01 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1mrr h VAL 136 Cb 1.33 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1mrr h VAL 136 CO 0.10 0.05 0.53 -0.26 0.02 0.00 0.00 177.57 178.01 1mrr h PHE 137 N -1.07 1.09 0.00 1.57 0.04 -1.38 -0.88 116.94 116.31 1mrr h PHE 137 Ca -0.06 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.64 1mrr h PHE 137 Cb 0.53 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1mrr h PHE 137 CO 0.02 0.71 -0.40 -0.44 -0.60 0.00 0.00 178.31 177.60 1mrr h ASP 138 N 1.15 0.00 0.18 2.17 3.32 -1.26 -2.95 116.42 119.02 1mrr h ASP 138 Ca 0.30 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 1mrr h ASP 138 Cb -0.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1mrr h ASP 138 CO -0.06 0.40 -0.34 -0.78 -1.72 0.00 0.00 179.24 176.74 1mrr h ASP 139 N 0.00 0.25 -0.47 6.45 3.58 -0.84 -3.08 116.42 122.31 1mrr h ASP 139 Ca -0.00 -0.09 0.09 0.00 0.42 0.00 0.00 57.03 57.45 1mrr h ASP 139 Cb 0.86 -0.07 -0.08 0.00 1.72 0.00 0.00 39.33 41.76 1mrr h ASP 139 CO 0.05 0.58 -0.05 0.40 -2.88 0.00 0.00 179.24 177.34 1mrr h ILE 140 N 0.21 0.59 -0.72 2.25 2.04 -1.28 -0.23 117.51 120.37 1mrr h ILE 140 Ca 0.03 -0.02 -0.06 0.00 1.00 0.00 0.00 64.86 65.81 1mrr h ILE 140 Cb 0.71 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1mrr h ILE 140 CO 0.05 0.01 0.22 0.58 0.00 0.00 0.00 178.15 179.02 1mrr h VAL 141 N 0.06 1.26 -0.00 1.67 2.07 -1.67 -3.25 116.25 116.39 1mrr h VAL 141 Ca 0.23 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1mrr h VAL 141 Cb 0.35 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1mrr h VAL 141 CO -0.43 0.35 -0.83 0.41 0.02 0.00 0.00 177.57 177.09 1mrr n THR 142 N -4.28 0.00 -2.25 2.57 -1.04 -0.82 -4.90 114.28 103.56 1mrr n THR 142 Ca 0.06 -0.01 -0.43 0.00 -2.04 0.00 0.00 64.05 61.63 1mrr n THR 142 Cb 0.23 0.79 -0.02 0.00 -1.82 0.00 0.00 70.33 69.50 1mrr n THR 142 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1mrr s ASN 143 N -2.98 6.35 0.41 8.00 3.84 -0.16 -4.86 114.94 125.54 1mrr s ASN 143 Ca 0.09 1.17 0.11 0.00 0.21 0.00 0.00 52.86 54.45 1mrr s ASN 143 Cb 0.17 -2.54 0.93 0.00 -0.55 0.00 0.00 41.25 39.26 1mrr s ASN 143 CO 0.81 -1.36 1.96 -0.33 -2.79 0.00 0.00 177.10 175.39 1mrr h GLU 144 N 10.75 0.52 0.02 0.43 4.39 -1.91 -1.70 114.58 127.09 1mrr h GLU 144 Ca -0.30 -0.03 -0.22 0.00 0.34 0.00 0.00 59.36 59.15 1mrr h GLU 144 Cb 1.12 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 1mrr h GLU 144 CO 1.05 0.34 -0.96 0.37 -1.16 0.00 0.00 179.01 178.65 1mrr h GLN 145 N 0.53 0.26 -0.20 2.33 5.75 -1.98 -0.20 115.11 121.60 1mrr h GLN 145 Ca 0.30 -0.31 -0.12 0.00 -0.15 0.00 0.00 58.65 58.37 1mrr h GLN 145 Cb 0.48 0.10 -0.00 0.00 1.07 0.00 0.00 27.48 29.13 1mrr h GLN 145 CO -0.10 1.04 -0.35 0.82 -2.65 0.00 0.00 178.83 177.60 1mrr h ILE 146 N 0.14 1.33 -0.18 2.39 2.04 -1.70 -2.17 117.51 119.35 1mrr h ILE 146 Ca -0.07 -1.57 -0.06 0.00 1.00 0.00 0.00 64.86 64.16 1mrr h ILE 146 Cb 1.61 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.51 1mrr h ILE 146 CO 0.15 0.49 -0.16 1.56 0.00 0.00 0.00 178.15 180.19 1mrr h GLN 147 N 0.28 0.29 -0.07 2.37 1.08 -1.30 -2.35 115.11 115.41 1mrr h GLN 147 Ca 0.01 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1mrr h GLN 147 Cb 0.94 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1mrr h GLN 147 CO 0.08 0.45 0.03 -0.22 -0.95 0.00 0.00 178.83 178.22 1mrr h LYS 148 N 0.28 0.11 0.00 1.46 3.64 -0.71 -1.26 116.57 120.08 1mrr h LYS 148 Ca 0.05 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1mrr h LYS 148 Cb 0.45 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1mrr h LYS 148 CO 0.03 0.23 0.00 2.89 -2.27 0.00 0.00 179.45 180.33 1mrr n ARG 149 N -4.95 0.15 0.00 1.90 1.85 -0.84 -2.44 116.66 112.33 1mrr n ARG 149 Ca -0.06 0.29 0.13 0.00 -1.00 0.00 0.00 57.85 57.21 1mrr n ARG 149 Cb 0.11 -1.74 0.48 0.00 -1.05 0.00 0.00 32.46 30.26 1mrr n ARG 149 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1mrr n ALA 150 N -1.69 2.87 -1.69 2.89 0.00 -0.73 -4.84 120.51 117.32 1mrr n ALA 150 Ca 0.04 -0.23 -0.62 0.00 0.00 0.00 0.00 53.44 52.63 1mrr n ALA 150 Cb 0.28 -1.31 -0.08 0.00 0.00 0.00 0.00 19.45 18.34 1mrr n ALA 150 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1mrr n GLU 151 N -1.37 0.51 0.00 0.00 0.00 -0.56 -2.07 120.64 117.15 1mrr n GLU 151 Ca 0.08 0.19 0.00 0.00 0.00 0.00 0.00 57.16 57.43 1mrr n GLU 151 Cb 0.32 -1.76 0.00 0.00 0.00 0.00 0.00 31.44 30.00 1mrr n GLU 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1mrr n GLY 152 N 3.58 2.49 0.40 8.31 0.00 -1.26 -4.99 105.19 113.72 1mrr n GLY 152 Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.13 1mrr n GLY 152 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1mrr h ILE 153 N 0.00 0.00 -0.01 -0.61 2.04 -1.82 -2.28 117.51 114.83 1mrr h ILE 153 Ca 0.00 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1mrr h ILE 153 Cb 0.00 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1mrr h ILE 153 CO 0.00 0.00 -0.03 0.28 0.00 0.00 0.00 178.15 178.40 1mrr h SER 154 N -1.10 0.02 -0.23 1.72 0.02 -1.94 -2.65 113.55 109.37 1mrr h SER 154 Ca -0.10 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 1mrr h SER 154 Cb 0.76 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 1mrr h SER 154 CO 0.17 0.06 -0.04 0.28 -1.14 0.00 0.00 176.83 176.15 1mrr h SER 155 N 0.02 0.44 0.55 3.07 0.02 -1.92 -0.44 113.55 115.30 1mrr h SER 155 Ca 0.00 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.58 1mrr h SER 155 Cb 0.07 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 1mrr h SER 155 CO 0.00 0.69 -0.32 1.88 -1.14 0.00 0.00 176.83 177.95 1mrr h TYR 156 N 0.19 -0.83 -0.86 3.45 0.05 -1.05 -0.57 116.97 117.34 1mrr h TYR 156 Ca 0.06 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.91 1mrr h TYR 156 Cb 0.49 0.29 -0.07 0.00 1.01 0.00 0.00 36.73 38.45 1mrr h TYR 156 CO 0.05 -0.49 0.51 1.88 -1.05 0.00 0.00 178.16 179.06 1mrr h TYR 157 N -0.82 0.94 -0.12 4.88 0.05 -1.54 -1.70 116.97 118.66 1mrr h TYR 157 Ca -0.07 0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.62 1mrr h TYR 157 Cb 0.65 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 1mrr h TYR 157 CO -0.08 0.42 -0.46 -0.44 -1.05 0.00 0.00 178.16 176.55 1mrr h ASP 158 N 0.88 0.31 -0.16 3.88 3.32 -0.71 -1.04 116.42 122.90 1mrr h ASP 158 Ca 0.40 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 57.19 1mrr h ASP 158 Cb 0.30 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1mrr h ASP 158 CO -0.22 0.73 -0.35 -0.33 -1.72 0.00 0.00 179.24 177.35 1mrr h GLU 159 N 0.24 0.51 -0.20 3.56 5.08 -0.82 -2.55 114.58 120.40 1mrr h GLU 159 Ca 0.02 -0.34 0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1mrr h GLU 159 Cb 0.90 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 1mrr h GLU 159 CO 0.07 0.95 -0.08 1.25 -1.00 0.00 0.00 179.01 180.21 1mrr h LEU 160 N 0.14 -0.26 -1.12 1.33 5.85 -0.97 -1.44 115.31 118.84 1mrr h LEU 160 Ca 0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1mrr h LEU 160 Cb 0.95 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 1mrr h LEU 160 CO 0.08 -0.10 0.45 0.40 -0.34 0.00 0.00 178.44 178.92 1mrr h ILE 161 N -0.04 1.22 0.01 4.05 2.04 -1.21 -0.35 117.51 123.22 1mrr h ILE 161 Ca 0.10 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1mrr h ILE 161 Cb 0.20 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1mrr h ILE 161 CO -0.23 0.24 -0.00 -0.08 0.00 0.00 0.00 178.15 178.07 1mrr h GLU 162 N 1.07 -0.01 -0.55 2.37 4.81 -1.16 -2.19 114.58 118.92 1mrr h GLU 162 Ca 0.28 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.58 1mrr h GLU 162 Cb -0.02 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 1mrr h GLU 162 CO -0.05 0.39 0.23 0.52 -0.73 0.00 0.00 179.01 179.37 1mrr h MET 163 N -0.41 0.42 -0.62 1.92 2.86 -0.88 -1.33 114.93 116.89 1mrr h MET 163 Ca -0.00 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1mrr h MET 163 Cb 0.40 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.92 1mrr h MET 163 CO 0.00 0.27 0.34 1.15 1.06 0.00 0.00 176.91 179.73 1mrr h THR 164 N 0.43 0.96 -0.25 2.22 2.02 -1.07 -0.55 112.91 116.67 1mrr h THR 164 Ca 0.26 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 1mrr h THR 164 Cb 0.26 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1mrr h THR 164 CO -0.24 0.11 0.03 0.28 0.37 0.00 0.00 175.52 176.07 1mrr h SER 165 N 0.63 0.40 -1.00 4.18 0.02 -0.65 0.76 113.55 117.89 1mrr h SER 165 Ca 0.28 -0.27 0.14 0.00 -0.84 0.00 0.00 61.79 61.09 1mrr h SER 165 Cb 0.17 -0.11 -0.09 0.00 0.14 0.00 0.00 62.40 62.51 1mrr h SER 165 CO -0.17 0.57 0.63 1.88 -1.14 0.00 0.00 176.83 178.60 1mrr h TYR 166 N 0.21 1.11 -0.17 3.45 0.05 -0.76 0.61 116.97 121.47 1mrr h TYR 166 Ca 0.07 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.80 1mrr h TYR 166 Cb 0.35 -0.35 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 1mrr h TYR 166 CO 0.03 0.39 -0.25 2.35 -1.05 0.00 0.00 178.16 179.62 1mrr h TRP 167 N 0.92 0.57 -0.28 4.88 7.01 -0.56 0.13 115.95 128.62 1mrr h TRP 167 Ca 0.52 -0.19 0.03 0.00 2.11 0.00 0.00 58.89 61.35 1mrr h TRP 167 Cb 0.61 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.53 1mrr h TRP 167 CO -0.00 0.88 0.11 0.45 -2.79 0.00 0.00 178.44 177.08 1mrr h HIS 168 N 0.10 0.19 -0.10 2.65 3.86 -0.49 0.91 115.15 122.27 1mrr h HIS 168 Ca 0.02 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.16 1mrr h HIS 168 Cb 0.82 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.25 1mrr h HIS 168 CO 0.09 0.09 -0.26 -0.07 0.86 0.00 0.00 177.93 178.64 1mrr h LEU 169 N 0.24 0.41 0.00 2.43 3.38 -0.80 -3.39 115.31 117.57 1mrr h LEU 169 Ca 0.12 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1mrr h LEU 169 Cb 0.08 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1mrr h LEU 169 CO -0.12 0.92 -1.48 0.18 0.09 0.00 0.00 178.44 178.04 1mrr n LEU 170 N -4.46 0.18 -0.85 1.67 4.77 0.45 -5.01 117.00 113.75 1mrr n LEU 170 Ca -0.07 -0.12 0.11 0.00 -0.03 0.00 0.00 56.01 55.89 1mrr n LEU 170 Cb 0.46 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 1mrr n LEU 170 CO 0.41 0.05 -0.31 0.61 -1.33 0.00 0.00 177.39 176.81 1mrr n GLY 171 N 1.54 -2.65 3.68 -0.72 0.00 0.31 -4.84 105.19 102.52 1mrr n GLY 171 Ca -0.01 -1.24 -0.44 0.00 0.00 0.00 0.00 46.02 44.33 1mrr n GLY 171 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mrr n GLU 172 N -3.50 2.07 -2.00 1.61 1.02 -1.26 -4.69 120.64 113.89 1mrr n GLU 172 Ca -0.04 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 1mrr n GLU 172 Cb 0.40 -2.35 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 1mrr n GLU 172 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1mrr n GLY 173 N 1.56 -0.74 3.31 0.62 0.00 -0.75 -4.95 105.19 104.25 1mrr n GLY 173 Ca 0.09 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.14 1mrr n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mrr s THR 174 N -1.79 3.35 0.32 2.61 2.01 -1.26 -0.48 115.64 120.39 1mrr s THR 174 Ca 0.00 -0.50 0.10 0.00 0.31 0.00 0.00 61.69 61.59 1mrr s THR 174 Cb 0.00 -2.51 -0.06 0.00 0.01 0.00 0.00 72.50 69.93 1mrr s THR 174 CO 0.00 0.43 -0.11 -1.00 -0.69 0.00 0.00 174.62 173.25 1mrr s HIS 175 N 1.40 2.31 -0.38 4.92 3.76 0.64 -4.94 115.29 123.01 1mrr s HIS 175 Ca 0.05 -0.50 -0.03 0.00 -0.15 0.00 0.00 55.06 54.44 1mrr s HIS 175 Cb -0.14 -1.26 0.09 0.00 1.11 0.00 0.00 32.58 32.37 1mrr s HIS 175 CO -0.03 0.56 0.14 0.99 -0.85 0.00 0.00 174.74 175.56 1mrr s THR 176 N -2.65 3.23 -0.28 1.30 2.01 -1.26 -0.69 115.64 117.31 1mrr s THR 176 Ca 0.31 -1.83 -0.01 0.00 0.31 0.00 0.00 61.69 60.47 1mrr s THR 176 Cb 0.01 -3.11 0.04 0.00 0.01 0.00 0.00 72.50 69.46 1mrr s THR 176 CO 0.15 -0.51 -0.03 -0.69 -0.69 0.00 0.00 174.62 172.85 1mrr s VAL 177 N 1.18 2.85 -1.53 3.82 1.01 0.29 -4.57 120.40 123.46 1mrr s VAL 177 Ca 0.04 -1.29 -0.12 0.00 0.00 0.00 0.00 61.98 60.62 1mrr s VAL 177 Cb -0.22 -2.58 0.08 0.00 0.00 0.00 0.00 36.38 33.67 1mrr s VAL 177 CO -0.03 0.01 0.85 0.59 0.00 0.00 0.00 175.10 176.52 1mrr n ASN 178 N 4.62 -3.57 0.00 3.32 3.02 -1.26 -1.67 115.26 119.72 1mrr n ASN 178 Ca -0.14 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1mrr n ASN 178 Cb 0.44 -3.58 0.00 0.00 -0.61 0.00 0.00 39.78 36.03 1mrr n ASN 178 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mrr n GLY 179 N -1.64 0.68 3.64 7.41 0.00 -1.26 -5.02 105.19 108.99 1mrr n GLY 179 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1mrr n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mrr s LYS 180 N -0.06 2.47 -0.00 1.61 -0.14 -0.67 -5.09 119.74 117.85 1mrr s LYS 180 Ca 0.00 -0.84 -0.24 0.00 -1.36 0.00 0.00 55.97 53.54 1mrr s LYS 180 Cb 0.00 -2.49 -0.05 0.00 -1.68 0.00 0.00 37.83 33.62 1mrr s LYS 180 CO 0.00 0.55 0.71 0.99 -0.76 0.00 0.00 175.35 176.85 1mrr s THR 181 N -1.20 4.87 -0.06 2.17 2.01 -1.26 -0.55 115.64 121.62 1mrr s THR 181 Ca 0.22 1.49 0.00 0.00 0.31 0.00 0.00 61.69 63.72 1mrr s THR 181 Cb -0.11 -4.05 0.02 0.00 0.01 0.00 0.00 72.50 68.36 1mrr s THR 181 CO 0.14 0.34 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.68 1mrr s VAL 182 N 0.20 0.61 -0.22 3.82 1.01 0.14 -4.93 120.40 121.03 1mrr s VAL 182 Ca 0.37 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.17 1mrr s VAL 182 Cb -0.19 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 1mrr s VAL 182 CO 0.20 0.27 0.06 -0.89 0.00 0.00 0.00 175.10 174.74 1mrr s THR 183 N 1.31 4.45 -0.22 3.92 2.01 -1.26 -0.26 115.64 125.59 1mrr s THR 183 Ca -0.05 -0.14 -0.08 0.00 0.31 0.00 0.00 61.69 61.74 1mrr s THR 183 Cb -0.14 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1mrr s THR 183 CO -0.02 0.39 0.09 -0.69 -0.69 0.00 0.00 174.62 173.70 1mrr s VAL 184 N 1.08 4.77 -0.08 3.82 1.01 0.37 -4.97 120.40 126.39 1mrr s VAL 184 Ca 0.04 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1mrr s VAL 184 Cb -0.14 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.05 1mrr s VAL 184 CO 0.03 0.38 -0.11 -0.55 0.00 0.00 0.00 175.10 174.85 1mrr s SER 185 N 1.01 1.91 0.27 3.32 0.15 -1.26 -1.81 113.70 117.28 1mrr s SER 185 Ca 0.05 -0.31 -0.01 0.00 0.70 0.00 0.00 55.95 56.38 1mrr s SER 185 Cb -0.14 -0.84 0.37 0.00 -1.71 0.00 0.00 66.02 63.70 1mrr s SER 185 CO 0.03 -0.01 1.80 0.25 1.20 0.00 0.00 173.24 176.51 1mrr h LEU 186 N 7.32 0.76 -0.38 3.45 5.85 -1.98 -2.24 115.31 128.10 1mrr h LEU 186 Ca -0.31 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.31 1mrr h LEU 186 Cb 1.17 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 1mrr h LEU 186 CO 0.46 0.79 0.10 -0.09 -0.34 0.00 0.00 178.44 179.36 1mrr h ARG 187 N 0.77 0.23 -0.70 1.25 2.43 -1.99 0.19 114.38 116.57 1mrr h ARG 187 Ca 0.16 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1mrr h ARG 187 Cb 0.36 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1mrr h ARG 187 CO 0.01 0.15 0.28 0.93 -1.51 0.00 0.00 179.97 179.83 1mrr h GLU 188 N 0.24 1.03 -0.38 0.20 4.39 -1.95 -2.00 114.58 116.10 1mrr h GLU 188 Ca 0.18 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1mrr h GLU 188 Cb 0.19 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1mrr h GLU 188 CO -0.21 0.83 -0.15 1.25 -1.16 0.00 0.00 179.01 179.58 1mrr h LEU 189 N 1.01 0.68 -0.82 1.33 5.85 -0.62 -1.73 115.31 121.01 1mrr h LEU 189 Ca 0.23 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1mrr h LEU 189 Cb 0.19 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1mrr h LEU 189 CO -0.02 0.85 0.25 0.11 -0.34 0.00 0.00 178.44 179.28 1mrr h LYS 190 N 0.62 1.12 0.00 1.25 1.57 -0.24 -0.77 116.57 120.12 1mrr h LYS 190 Ca 0.10 -0.23 -0.13 0.00 -1.87 0.00 0.00 60.65 58.52 1mrr h LYS 190 Cb 0.60 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1mrr h LYS 190 CO 0.04 0.94 -0.63 1.57 -0.57 0.00 0.00 179.45 180.80 1mrr h LYS 191 N 1.08 0.00 -0.00 3.15 2.10 -1.10 -0.84 116.57 120.96 1mrr h LYS 191 Ca 0.24 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.89 1mrr h LYS 191 Cb 0.28 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.61 1mrr h LYS 191 CO -0.01 0.63 0.00 -0.22 -2.00 0.00 0.00 179.45 177.85 1mrr h LYS 192 N 0.00 0.01 -0.27 0.07 1.63 -0.97 0.12 116.57 117.16 1mrr h LYS 192 Ca -0.01 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1mrr h LYS 192 Cb 1.30 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.91 1mrr h LYS 192 CO 0.08 0.07 0.17 1.25 -3.45 0.00 0.00 179.45 177.57 1mrr h LEU 193 N -0.06 0.31 -0.25 5.20 5.85 -1.04 -1.12 115.31 124.20 1mrr h LEU 193 Ca 0.00 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1mrr h LEU 193 Cb 0.07 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1mrr h LEU 193 CO -0.00 0.25 0.14 0.22 -0.34 0.00 0.00 178.44 178.71 1mrr h TYR 194 N 0.35 0.25 0.00 1.25 3.20 -0.91 -0.19 116.97 120.92 1mrr h TYR 194 Ca 0.10 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 1mrr h TYR 194 Cb -0.01 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1mrr h TYR 194 CO -0.05 0.15 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.22 1mrr h LEU 195 N 0.28 0.00 -0.16 2.82 -0.00 -0.63 -1.12 115.31 116.51 1mrr h LEU 195 Ca 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1mrr h LEU 195 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.66 1mrr h LEU 195 CO -0.06 0.33 0.08 0.00 -0.00 0.00 0.00 178.44 178.79 1mrr h LEU 197 N 0.14 0.56 -0.84 0.00 5.85 -0.77 0.68 115.31 120.94 1mrr h LEU 197 Ca 0.05 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1mrr h LEU 197 Cb 0.08 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1mrr h LEU 197 CO -0.01 0.40 0.35 -0.03 -0.34 0.00 0.00 178.44 178.81 1mrr h MET 198 N 0.68 1.20 -0.46 1.25 4.05 -0.83 0.63 114.93 121.46 1mrr h MET 198 Ca 0.23 -0.20 -0.08 0.00 -0.28 0.00 0.00 59.70 59.37 1mrr h MET 198 Cb 0.01 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.59 1mrr h MET 198 CO -0.09 0.95 -0.04 0.77 0.23 0.00 0.00 176.91 178.73 1mrr h SER 199 N 1.18 0.75 -0.63 1.39 0.02 0.32 -1.96 113.55 114.62 1mrr h SER 199 Ca 0.28 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1mrr h SER 199 Cb 0.18 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1mrr h SER 199 CO -0.03 0.84 0.18 0.58 -1.14 0.00 0.00 176.83 177.26 1mrr h VAL 200 N 0.72 1.25 -0.50 2.27 2.07 -0.25 -0.68 116.25 121.13 1mrr h VAL 200 Ca 0.13 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1mrr h VAL 200 Cb 0.49 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1mrr h VAL 200 CO 0.03 0.34 0.29 -1.13 0.02 0.00 0.00 177.57 177.12 1mrr h ASN 201 N 0.98 0.61 -0.48 0.57 -1.24 -0.46 -0.84 115.58 114.71 1mrr h ASN 201 Ca 0.21 -0.07 -0.03 0.00 0.71 0.00 0.00 56.30 57.12 1mrr h ASN 201 Cb 0.31 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 1mrr h ASN 201 CO -0.00 0.51 0.20 0.00 -1.29 0.00 0.00 177.43 176.84 1mrr h ALA 202 N 1.13 0.62 0.01 1.57 0.00 -0.58 -0.83 119.26 121.18 1mrr h ALA 202 Ca 0.18 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1mrr h ALA 202 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1mrr h ALA 202 CO -0.03 0.22 -0.08 1.25 0.00 0.00 0.00 179.25 180.61 1mrr h LEU 203 N 0.63 -0.22 -0.17 0.00 5.85 -0.69 -0.65 115.31 120.07 1mrr h LEU 203 Ca 0.16 0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.74 1mrr h LEU 203 Cb 0.18 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1mrr h LEU 203 CO -0.02 -0.11 -0.85 -0.33 -0.34 0.00 0.00 178.44 176.79 1mrr h GLU 204 N -0.14 0.00 0.01 1.25 5.08 -1.05 -2.57 114.58 117.16 1mrr h GLU 204 Ca 0.03 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.09 1mrr h GLU 204 Cb 0.17 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 1mrr h GLU 204 CO -0.08 0.85 -1.70 0.00 -1.00 0.00 0.00 179.01 177.08 1mrr h ALA 205 N 1.15 0.73 0.00 3.43 0.00 -1.11 -3.39 119.26 120.07 1mrr h ALA 205 Ca -0.01 -1.44 0.00 0.00 0.00 0.00 0.00 54.91 53.46 1mrr h ALA 205 Cb 1.57 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1mrr h ALA 205 CO 0.11 1.55 -0.19 -0.89 0.00 0.00 0.00 179.25 179.83 1mrr n ILE 206 N -3.10 0.49 -0.35 0.00 5.41 -0.26 -4.44 119.36 117.11 1mrr n ILE 206 Ca -0.17 0.27 0.09 0.00 1.00 0.00 0.00 62.75 63.94 1mrr n ILE 206 Cb 1.05 -1.53 0.28 0.00 -0.71 0.00 0.00 39.64 38.72 1mrr n ILE 206 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1mrr h ARG 207 N -0.19 0.88 -0.09 0.38 3.08 -1.39 0.68 114.38 117.73 1mrr h ARG 207 Ca 0.00 -0.05 -0.20 0.00 0.07 0.00 0.00 59.98 59.80 1mrr h ARG 207 Cb 0.19 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1mrr h ARG 207 CO 0.00 0.58 -0.76 0.74 -1.07 0.00 0.00 179.97 179.46 1mrr h PHE 208 N 0.91 0.70 -0.06 3.04 0.04 -1.66 -2.88 116.94 117.03 1mrr h PHE 208 Ca 0.51 -0.32 -0.08 0.00 2.80 0.00 0.00 57.97 60.88 1mrr h PHE 208 Cb 0.60 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 1mrr h PHE 208 CO -0.00 1.10 -0.35 1.88 -0.60 0.00 0.00 178.31 180.33 1mrr h TYR 209 N 0.35 0.12 0.12 -0.55 -1.99 -1.14 0.99 116.97 114.87 1mrr h TYR 209 Ca -0.04 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.66 1mrr h TYR 209 Cb 1.36 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 40.06 1mrr h TYR 209 CO 0.06 0.45 -0.06 0.28 -0.00 0.00 0.00 178.16 178.89 1mrr h VAL 210 N 0.09 1.04 -0.53 -2.88 2.07 -1.21 -2.34 116.25 112.50 1mrr h VAL 210 Ca 0.01 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 66.93 1mrr h VAL 210 Cb 0.67 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1mrr h VAL 210 CO 0.05 0.15 0.35 0.77 0.02 0.00 0.00 177.57 178.91 1mrr h SER 211 N -0.45 0.53 -0.69 0.57 4.64 -1.18 -1.02 113.55 115.95 1mrr h SER 211 Ca -0.02 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 1mrr h SER 211 Cb 0.37 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 1mrr h SER 211 CO 0.03 0.37 0.23 -0.26 -0.87 0.00 0.00 176.83 176.32 1mrr h PHE 212 N 0.62 1.09 -0.45 4.77 0.04 -0.71 -0.97 116.94 121.33 1mrr h PHE 212 Ca 0.21 -0.10 -0.07 0.00 2.80 0.00 0.00 57.97 60.81 1mrr h PHE 212 Cb 0.09 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 1mrr h PHE 212 CO -0.00 0.87 -0.01 0.00 -0.60 0.00 0.00 178.31 178.57 1mrr h ALA 213 N 1.10 1.14 -0.13 2.45 0.00 -0.64 -0.19 119.26 122.99 1mrr h ALA 213 Ca 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1mrr h ALA 213 Cb 0.28 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1mrr h ALA 213 CO -0.01 0.55 -0.00 0.00 0.00 0.00 0.00 179.25 179.79 1mrr h SER 215 N -0.03 -0.74 0.45 0.00 0.02 -0.70 -2.44 113.55 110.10 1mrr h SER 215 Ca 0.04 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1mrr h SER 215 Cb 0.37 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1mrr h SER 215 CO 0.01 -0.31 0.00 0.49 -1.14 0.00 0.00 176.83 175.87 1mrr n PHE 216 N -5.37 0.00 -0.17 3.45 3.72 -0.12 -2.47 117.46 116.49 1mrr n PHE 216 Ca -0.05 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.29 1mrr n PHE 216 Cb 0.28 -0.36 0.03 0.00 -0.94 0.00 0.00 39.48 38.50 1mrr n PHE 216 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mrr h ALA 217 N 2.81 0.66 -0.67 4.37 0.00 -1.03 -1.90 119.26 123.50 1mrr h ALA 217 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1mrr h ALA 217 Cb 0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1mrr h ALA 217 CO 0.00 0.04 0.12 0.74 0.00 0.00 0.00 179.25 180.15 1mrr h PHE 218 N 0.64 1.17 -0.01 0.00 0.04 -1.61 -2.59 116.94 114.58 1mrr h PHE 218 Ca 0.20 -0.16 -0.08 0.00 2.80 0.00 0.00 57.97 60.73 1mrr h PHE 218 Cb -0.02 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.80 1mrr h PHE 218 CO -0.05 0.98 -0.35 0.00 -0.60 0.00 0.00 178.31 178.28 1mrr h ALA 219 N 1.05 1.39 -0.49 2.45 0.00 -1.26 -0.76 119.26 121.64 1mrr h ALA 219 Ca 0.20 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1mrr h ALA 219 Cb 0.43 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1mrr h ALA 219 CO 0.01 0.46 0.20 0.93 0.00 0.00 0.00 179.25 180.85 1mrr h GLU 220 N 0.02 0.69 0.00 0.00 4.39 -0.96 -0.75 114.58 117.97 1mrr h GLU 220 Ca -0.00 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1mrr h GLU 220 Cb 0.64 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1mrr h GLU 220 CO 0.05 0.56 0.00 0.54 -1.16 0.00 0.00 179.01 179.00 1mrr n ARG 221 N -4.36 0.98 -1.65 2.33 3.00 -0.64 -4.84 116.66 111.49 1mrr n ARG 221 Ca 0.04 0.00 -0.18 0.00 -0.01 0.00 0.00 57.85 57.70 1mrr n ARG 221 Cb 0.15 -1.06 -0.07 0.00 0.00 0.00 0.00 32.46 31.48 1mrr n ARG 221 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1mrr n GLU 222 N -0.56 -1.26 -3.95 5.56 1.02 -0.29 -5.03 120.64 116.13 1mrr n GLU 222 Ca 0.03 1.08 -0.25 0.00 -0.02 0.00 0.00 57.16 58.00 1mrr n GLU 222 Cb 0.01 -5.37 -0.03 0.00 -0.02 0.00 0.00 31.44 26.03 1mrr n GLU 222 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1mrr s LEU 223 N -4.20 4.32 -1.49 -4.62 1.43 -0.39 -4.62 118.68 109.12 1mrr s LEU 223 Ca 0.00 0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 1mrr s LEU 223 Cb 0.00 -2.89 0.07 0.00 0.03 0.00 0.00 46.19 43.40 1mrr s LEU 223 CO 0.00 0.03 0.91 0.23 0.23 0.00 0.00 176.35 177.75 1mrr n MET 224 N -0.71 -5.30 0.17 1.70 2.81 -1.26 -2.48 117.12 112.05 1mrr n MET 224 Ca -0.07 0.59 0.04 0.00 -1.81 0.00 0.00 57.70 56.44 1mrr n MET 224 Cb 0.55 -5.39 0.44 0.00 -0.71 0.00 0.00 33.22 28.10 1mrr n MET 224 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1mrr h GLU 225 N -2.03 0.11 -0.23 0.03 4.39 -1.92 -1.31 114.58 113.62 1mrr h GLU 225 Ca -0.59 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.07 1mrr h GLU 225 Cb 1.37 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.00 1mrr h GLU 225 CO 0.65 0.29 0.06 0.78 -1.16 0.00 0.00 179.01 179.63 1mrr h GLY 226 N 0.68 0.39 1.02 -3.84 0.00 -1.91 -0.95 103.07 98.47 1mrr h GLY 226 Ca 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1mrr h GLY 226 CO 0.02 0.23 0.49 -0.57 0.00 0.00 0.00 176.54 176.71 1mrr h ASN 227 N 0.19 1.10 -0.52 0.19 -0.73 -1.77 -2.12 115.58 111.92 1mrr h ASN 227 Ca 0.07 -0.10 -0.02 0.00 1.87 0.00 0.00 56.30 58.12 1mrr h ASN 227 Cb 0.27 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.55 1mrr h ASN 227 CO -0.00 0.88 0.25 0.00 -0.37 0.00 0.00 177.43 178.18 1mrr h ALA 228 N 1.27 1.39 -0.44 1.57 0.00 -1.02 -0.70 119.26 121.32 1mrr h ALA 228 Ca 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1mrr h ALA 228 Cb 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1mrr h ALA 228 CO -0.05 0.47 0.29 0.87 0.00 0.00 0.00 179.25 180.83 1mrr h LYS 229 N 0.79 0.58 0.07 0.00 1.57 -0.51 -0.27 116.57 118.79 1mrr h LYS 229 Ca 0.19 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1mrr h LYS 229 Cb 0.12 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1mrr h LYS 229 CO -0.02 0.39 -0.03 0.82 -0.57 0.00 0.00 179.45 180.03 1mrr h ILE 230 N 0.59 1.10 -0.55 1.86 2.04 -1.06 -2.70 117.51 118.78 1mrr h ILE 230 Ca 0.16 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1mrr h ILE 230 Cb -0.06 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1mrr h ILE 230 CO -0.03 0.14 0.35 0.40 0.00 0.00 0.00 178.15 179.01 1mrr h ILE 231 N -0.34 1.15 -0.58 -0.67 1.08 -1.02 0.47 117.51 117.60 1mrr h ILE 231 Ca -0.01 -0.30 0.04 0.00 -0.39 0.00 0.00 64.86 64.21 1mrr h ILE 231 Cb 0.30 0.35 -0.05 0.00 -3.07 0.00 0.00 36.82 34.35 1mrr h ILE 231 CO 0.01 0.15 0.32 -0.09 -0.69 0.00 0.00 178.15 177.85 1mrr h ARG 232 N 0.75 0.60 -0.32 2.37 2.43 -0.87 0.16 114.38 119.50 1mrr h ARG 232 Ca 0.20 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1mrr h ARG 232 Cb -0.06 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1mrr h ARG 232 CO -0.04 0.40 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.70 1mrr h LEU 233 N 0.62 0.59 -0.80 3.80 3.38 -0.68 -2.04 115.31 120.17 1mrr h LEU 233 Ca 0.25 -0.34 0.06 0.00 0.09 0.00 0.00 57.88 57.94 1mrr h LEU 233 Cb 0.11 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 1mrr h LEU 233 CO -0.15 0.79 0.48 0.40 0.09 0.00 0.00 178.44 180.06 1mrr h ILE 234 N 0.38 1.02 -0.47 1.22 2.04 -0.48 -2.45 117.51 118.77 1mrr h ILE 234 Ca 0.09 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1mrr h ILE 234 Cb 0.51 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1mrr h ILE 234 CO 0.02 0.16 0.18 0.00 0.00 0.00 0.00 178.15 178.51 1mrr h ALA 235 N 1.39 0.61 -0.25 1.87 0.00 -0.43 0.21 119.26 122.65 1mrr h ALA 235 Ca 0.35 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1mrr h ALA 235 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1mrr h ALA 235 CO -0.18 0.22 0.18 -0.09 0.00 0.00 0.00 179.25 179.39 1mrr h ARG 236 N 0.61 0.00 0.21 0.00 2.43 -0.96 -0.79 114.38 115.89 1mrr h ARG 236 Ca 0.15 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.98 1mrr h ARG 236 Cb 0.21 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1mrr h ARG 236 CO -0.01 0.00 -1.65 -0.44 -1.51 0.00 0.00 179.97 176.36 1mrr h ASP 237 N 0.00 0.69 -0.17 -3.80 3.32 -0.72 -3.31 116.42 112.43 1mrr h ASP 237 Ca 0.12 -0.93 0.04 0.00 0.02 0.00 0.00 57.03 56.27 1mrr h ASP 237 Cb 0.48 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1mrr h ASP 237 CO -0.00 1.76 0.12 -0.33 -1.72 0.00 0.00 179.24 179.07 1mrr h GLU 238 N 0.11 0.05 -0.54 3.56 4.39 0.17 -1.04 114.58 121.28 1mrr h GLU 238 Ca -0.32 -0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.48 1mrr h GLU 238 Cb 2.11 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 30.67 1mrr h GLU 238 CO 0.21 0.04 0.10 0.00 -1.16 0.00 0.00 179.01 178.19 1mrr h ALA 239 N 1.91 0.61 -0.45 3.43 0.00 -1.28 -0.82 119.26 122.66 1mrr h ALA 239 Ca 0.08 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1mrr h ALA 239 Cb 0.25 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1mrr h ALA 239 CO -0.01 -0.32 -0.18 -0.07 0.00 0.00 0.00 179.25 178.68 1mrr h LEU 240 N 0.23 0.93 -0.58 0.00 3.38 -1.33 -1.29 115.31 116.65 1mrr h LEU 240 Ca 0.28 -0.39 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1mrr h LEU 240 Cb 0.39 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1mrr h LEU 240 CO -0.37 1.11 0.09 0.45 0.09 0.00 0.00 178.44 179.81 1mrr h HIS 241 N 0.74 1.03 0.04 1.13 3.86 -0.63 -1.18 115.15 120.14 1mrr h HIS 241 Ca 0.10 -0.15 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1mrr h HIS 241 Cb 0.74 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.93 1mrr h HIS 241 CO 0.05 0.90 -0.02 1.25 0.86 0.00 0.00 177.93 180.97 1mrr h LEU 242 N 0.87 -0.05 -1.18 2.43 6.46 -1.13 -2.45 115.31 120.25 1mrr h LEU 242 Ca 0.18 -0.03 0.10 0.00 -0.12 0.00 0.00 57.88 58.01 1mrr h LEU 242 Cb 0.43 0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 40.30 1mrr h LEU 242 CO 0.01 -0.00 0.58 0.74 -0.62 0.00 0.00 178.44 179.15 1mrr h THR 243 N -0.09 0.95 -0.08 1.05 2.02 -0.66 -0.31 112.91 115.79 1mrr h THR 243 Ca -0.01 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 66.89 1mrr h THR 243 Cb 0.07 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 1mrr h THR 243 CO 0.01 0.16 -0.01 1.23 0.37 0.00 0.00 175.52 177.28 1mrr h GLY 244 N 0.88 0.06 2.00 2.16 0.00 -0.78 -1.36 103.07 106.04 1mrr h GLY 244 Ca 0.43 0.02 -0.19 0.00 0.00 0.00 0.00 47.33 47.59 1mrr h GLY 244 CO -0.19 -0.02 -0.89 -0.91 0.00 0.00 0.00 176.54 174.53 1mrr h THR 245 N 0.01 1.57 -0.49 4.70 1.35 -0.86 -1.32 112.91 117.87 1mrr h THR 245 Ca 0.04 -3.10 -0.01 0.00 -0.55 0.00 0.00 66.41 62.79 1mrr h THR 245 Cb 0.05 2.70 -0.02 0.00 -1.73 0.00 0.00 68.15 69.15 1mrr h THR 245 CO -0.08 0.87 0.26 1.56 -0.25 0.00 0.00 175.52 177.88 1mrr h GLN 246 N 0.00 0.69 0.04 4.72 4.20 -0.99 -0.97 115.11 122.79 1mrr h GLN 246 Ca -0.01 -0.08 -0.24 0.00 0.06 0.00 0.00 58.65 58.37 1mrr h GLN 246 Cb 1.63 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 29.29 1mrr h GLN 246 CO 0.12 0.54 -1.03 0.45 -0.67 0.00 0.00 178.83 178.23 1mrr h HIS 247 N 0.65 0.66 -0.27 2.96 3.86 -1.04 -0.78 115.15 121.19 1mrr h HIS 247 Ca 0.17 -0.39 0.06 0.00 -1.16 0.00 0.00 60.37 59.06 1mrr h HIS 247 Cb 0.06 -0.06 -0.06 0.00 1.06 0.00 0.00 27.41 28.41 1mrr h HIS 247 CO -0.02 1.22 -0.12 0.52 0.86 0.00 0.00 177.93 180.40 1mrr h MET 248 N 0.22 -0.08 -0.50 2.45 2.86 -1.12 0.22 114.93 118.99 1mrr h MET 248 Ca -0.10 0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.42 1mrr h MET 248 Cb 1.69 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.35 1mrr h MET 248 CO 0.18 -0.05 -0.17 -0.07 1.06 0.00 0.00 176.91 177.86 1mrr h LEU 249 N -0.08 0.99 -0.61 1.22 3.38 -1.17 -1.99 115.31 117.05 1mrr h LEU 249 Ca 0.14 -0.35 -0.15 0.00 0.09 0.00 0.00 57.88 57.61 1mrr h LEU 249 Cb 0.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1mrr h LEU 249 CO -0.32 1.14 -0.64 0.78 0.09 0.00 0.00 178.44 179.49 1mrr h ASN 250 N 0.86 0.26 0.34 -0.43 2.35 -0.74 -0.46 115.58 117.77 1mrr h ASN 250 Ca 0.12 -0.16 -0.15 0.00 -0.55 0.00 0.00 56.30 55.56 1mrr h ASN 250 Cb 0.73 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 1mrr h ASN 250 CO 0.06 0.83 -0.61 -0.07 -1.65 0.00 0.00 177.43 175.99 1mrr h LEU 251 N 0.17 0.30 -0.76 1.61 3.38 -0.88 0.23 115.31 119.36 1mrr h LEU 251 Ca -0.01 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 1mrr h LEU 251 Cb 1.16 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1mrr h LEU 251 CO 0.10 0.84 -0.38 -0.07 0.09 0.00 0.00 178.44 179.02 1mrr h LEU 252 N 0.20 0.52 -0.33 1.67 3.38 -1.05 -2.89 115.31 116.81 1mrr h LEU 252 Ca -0.01 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.58 1mrr h LEU 252 Cb 1.12 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1mrr h LEU 252 CO 0.10 0.85 -0.41 -0.09 0.09 0.00 0.00 178.44 178.98 1mrr h ARG 253 N 0.42 0.86 -0.23 1.13 9.65 -0.79 -3.10 114.38 122.30 1mrr h ARG 253 Ca 0.04 -0.48 0.07 0.00 -1.10 0.00 0.00 59.98 58.51 1mrr h ARG 253 Cb 0.85 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.45 1mrr h ARG 253 CO 0.07 1.12 0.28 0.66 2.80 0.00 0.00 179.97 184.90 1mrr h SER 254 N 0.64 0.00 0.00 -3.80 4.64 -0.74 -3.44 113.55 110.86 1mrr h SER 254 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1mrr h SER 254 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1mrr h SER 254 CO 0.10 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 1mrr n GLY 255 N -1.41 0.66 0.13 -0.77 0.00 -1.20 -4.90 105.19 97.69 1mrr n GLY 255 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1mrr n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mrr h ALA 256 N 0.00 0.97 -3.00 4.61 0.00 -1.85 -3.41 119.26 116.58 1mrr h ALA 256 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mrr h ALA 256 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1mrr h ALA 256 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 175.78 1mrr n ASP 257 N -2.44 0.00 -4.68 0.00 2.03 -1.26 -4.96 116.55 105.24 1mrr n ASP 257 Ca 0.05 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.93 1mrr n ASP 257 Cb 0.45 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.83 1mrr n ASP 257 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1mrr s ASP 258 N -1.00 7.19 0.49 1.67 -1.08 -1.26 -4.93 116.67 117.76 1mrr s ASP 258 Ca 0.00 1.54 0.26 0.00 -0.52 0.00 0.00 52.55 53.83 1mrr s ASP 258 Cb 0.00 -2.55 1.27 0.00 -1.46 0.00 0.00 42.92 40.18 1mrr s ASP 258 CO 0.00 -0.51 1.99 1.55 0.52 0.00 0.00 175.17 178.72 1mrr h PRO 259 N 7.23 0.00 0.00 4.34 0.13 -1.93 -2.17 132.00 139.59 1mrr h PRO 259 Ca -0.29 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.74 1mrr h PRO 259 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1mrr h PRO 259 CO 0.88 0.16 -0.47 1.49 -0.23 0.00 0.00 178.00 179.83 1mrr h GLU 260 N 0.00 0.00 0.00 0.86 4.81 -1.95 -2.65 114.58 115.65 1mrr h GLU 260 Ca -0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1mrr h GLU 260 Cb 0.46 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1mrr h GLU 260 CO 0.02 0.47 -0.27 0.52 -0.73 0.00 0.00 179.01 179.02 1mrr h MET 261 N 0.00 0.00 -0.34 1.92 2.86 -1.69 -1.09 114.93 116.60 1mrr h MET 261 Ca -0.00 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 1mrr h MET 261 Cb 0.94 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.59 1mrr h MET 261 CO 0.06 0.27 -0.45 0.00 1.06 0.00 0.00 176.91 177.86 1mrr h ALA 262 N 1.73 0.56 -0.22 6.32 0.00 -1.40 -0.64 119.26 125.62 1mrr h ALA 262 Ca -0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1mrr h ALA 262 Cb 0.56 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1mrr h ALA 262 CO 0.04 0.68 0.04 1.49 0.00 0.00 0.00 179.25 181.49 1mrr h GLU 263 N 0.71 0.35 -0.12 0.00 4.81 -1.28 -2.43 114.58 116.62 1mrr h GLU 263 Ca 0.04 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1mrr h GLU 263 Cb 1.04 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1mrr h GLU 263 CO 0.10 0.49 0.06 0.82 -0.73 0.00 0.00 179.01 179.76 1mrr h ILE 264 N 0.16 1.11 -0.55 2.32 2.04 -1.16 -1.70 117.51 119.73 1mrr h ILE 264 Ca 0.07 -0.31 0.11 0.00 1.00 0.00 0.00 64.86 65.72 1mrr h ILE 264 Cb 0.31 1.09 -0.09 0.00 -0.74 0.00 0.00 36.82 37.39 1mrr h ILE 264 CO 0.00 0.10 0.05 0.00 0.00 0.00 0.00 178.15 178.30 1mrr h ALA 265 N 0.94 0.57 0.01 1.87 0.00 -1.02 0.21 119.26 121.84 1mrr h ALA 265 Ca 0.04 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1mrr h ALA 265 Cb 0.10 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1mrr h ALA 265 CO -0.01 -0.36 -0.00 0.93 0.00 0.00 0.00 179.25 179.81 1mrr h GLU 266 N 0.17 -0.01 0.00 0.00 4.39 -1.32 -2.41 114.58 115.39 1mrr h GLU 266 Ca 0.28 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 1mrr h GLU 266 Cb 0.43 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1mrr h GLU 266 CO -0.42 0.10 -0.03 0.93 -1.16 0.00 0.00 179.01 178.43 1mrr h GLU 267 N -0.13 0.00 0.00 2.33 5.08 -0.46 -2.43 114.58 118.98 1mrr h GLU 267 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mrr h GLU 267 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1mrr h GLU 267 CO 0.00 0.03 -0.35 0.00 -1.00 0.00 0.00 179.01 177.70 1mrr h LYS 269 N 0.69 0.12 -0.57 0.00 3.64 -0.93 0.69 116.57 120.21 1mrr h LYS 269 Ca -0.00 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 1mrr h LYS 269 Cb 1.00 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 1mrr h LYS 269 CO 0.00 0.08 0.07 0.37 -2.27 0.00 0.00 179.45 177.70 1mrr h GLN 270 N 0.12 0.96 -0.33 1.90 5.75 -1.84 -1.65 115.11 120.03 1mrr h GLN 270 Ca 0.81 -0.27 -0.06 0.00 -0.15 0.00 0.00 58.65 58.98 1mrr h GLN 270 Cb 2.09 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 30.52 1mrr h GLN 270 CO -0.68 0.92 -0.04 0.93 -2.65 0.00 0.00 178.83 177.32 1mrr h GLU 271 N 0.85 0.52 -0.27 1.69 4.39 0.02 0.65 114.58 122.44 1mrr h GLU 271 Ca 0.17 -0.13 -0.15 0.00 0.34 0.00 0.00 59.36 59.59 1mrr h GLU 271 Cb 0.45 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1mrr h GLU 271 CO 0.02 0.58 -0.42 0.00 -1.16 0.00 0.00 179.01 178.02 1mrr h TYR 273 N 0.51 0.24 0.00 0.00 3.20 -1.03 -2.71 116.97 117.18 1mrr h TYR 273 Ca 0.02 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1mrr h TYR 273 Cb 1.02 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 1mrr h TYR 273 CO 0.08 0.29 -0.23 -0.44 -1.64 0.00 0.00 178.16 176.22 1mrr h ASP 274 N 0.11 0.00 0.94 -2.11 3.32 -0.61 -2.47 116.42 115.61 1mrr h ASP 274 Ca 0.05 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.90 1mrr h ASP 274 Cb 0.15 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 1mrr h ASP 274 CO -0.01 0.23 -0.98 0.17 -1.72 0.00 0.00 179.24 176.94 1mrr h LEU 275 N 0.00 0.03 -0.74 1.55 8.10 -0.73 -2.18 115.31 121.34 1mrr h LEU 275 Ca -0.00 -0.03 -0.13 0.00 0.11 0.00 0.00 57.88 57.82 1mrr h LEU 275 Cb 0.53 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.73 1mrr h LEU 275 CO 0.03 0.99 -0.59 -0.26 -4.11 0.00 0.00 178.44 174.51 1mrr h PHE 276 N 0.01 0.17 -0.09 0.17 -1.00 -1.38 -0.70 116.94 114.12 1mrr h PHE 276 Ca -0.02 -0.06 -0.19 0.00 2.81 0.00 0.00 57.97 60.51 1mrr h PHE 276 Cb 1.73 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 41.25 1mrr h PHE 276 CO 0.00 0.69 -0.72 0.28 -1.61 0.00 0.00 178.31 176.95 1mrr h VAL 277 N 0.10 1.37 -0.20 -0.55 2.07 -1.43 -0.82 116.25 116.79 1mrr h VAL 277 Ca -0.00 -2.10 -0.02 0.00 0.82 0.00 0.00 66.70 65.39 1mrr h VAL 277 Cb 1.06 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1mrr h VAL 277 CO 0.08 0.64 0.05 -0.61 0.02 0.00 0.00 177.57 177.75 1mrr h GLN 278 N 0.30 0.31 -0.69 1.57 5.75 -0.96 -1.54 115.11 119.86 1mrr h GLN 278 Ca -0.03 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.34 1mrr h GLN 278 Cb 1.30 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.78 1mrr h GLN 278 CO 0.13 0.43 0.22 0.00 -2.65 0.00 0.00 178.83 176.96 1mrr h ALA 279 N 0.87 0.91 -0.35 3.38 0.00 -1.10 -1.08 119.26 121.88 1mrr h ALA 279 Ca 0.06 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1mrr h ALA 279 Cb 0.26 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1mrr h ALA 279 CO -0.00 0.58 0.18 0.00 0.00 0.00 0.00 179.25 180.01 1mrr h ALA 280 N 1.10 0.43 -0.21 0.00 0.00 -0.97 -2.11 119.26 117.50 1mrr h ALA 280 Ca 0.22 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1mrr h ALA 280 Cb 0.30 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1mrr h ALA 280 CO -0.01 -0.19 -0.16 0.37 0.00 0.00 0.00 179.25 179.27 1mrr h GLN 281 N 0.37 0.35 -0.54 0.00 5.75 -0.86 -1.96 115.11 118.22 1mrr h GLN 281 Ca 0.15 -0.10 -0.09 0.00 -0.15 0.00 0.00 58.65 58.46 1mrr h GLN 281 Cb 0.05 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 1mrr h GLN 281 CO -0.10 0.50 -0.03 1.96 -2.65 0.00 0.00 178.83 178.52 1mrr h GLN 282 N 0.32 0.95 -0.24 1.69 4.20 -0.79 -0.90 115.11 120.35 1mrr h GLN 282 Ca 0.06 -0.30 -0.13 0.00 0.06 0.00 0.00 58.65 58.34 1mrr h GLN 282 Cb 0.47 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1mrr h GLN 282 CO 0.03 0.95 -0.39 0.93 -0.67 0.00 0.00 178.83 179.68 1mrr h GLU 283 N 0.87 0.56 -0.21 1.46 4.39 -0.95 -2.78 114.58 117.92 1mrr h GLU 283 Ca 0.16 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 1mrr h GLU 283 Cb 0.55 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1mrr h GLU 283 CO 0.03 0.86 0.01 0.87 -1.16 0.00 0.00 179.01 179.62 1mrr h LYS 284 N 0.47 0.36 -0.77 2.33 1.57 -1.18 -3.23 116.57 116.12 1mrr h LYS 284 Ca 0.04 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1mrr h LYS 284 Cb 0.89 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.12 1mrr h LYS 284 CO 0.08 0.54 0.51 -0.44 -0.57 0.00 0.00 179.45 179.57 1mrr h ASP 285 N 0.14 0.83 -1.00 0.86 3.32 -1.02 -2.27 116.42 117.27 1mrr h ASP 285 Ca 0.06 -0.01 0.22 0.00 0.02 0.00 0.00 57.03 57.32 1mrr h ASP 285 Cb 0.37 -0.19 -0.11 0.00 0.22 0.00 0.00 39.33 39.62 1mrr h ASP 285 CO 0.01 0.57 0.62 -0.25 -1.72 0.00 0.00 179.24 178.47 1mrr h TRP 286 N 0.96 0.94 -1.02 4.55 2.91 -1.51 -1.86 115.95 120.92 1mrr h TRP 286 Ca 0.30 0.03 0.27 0.00 1.13 0.00 0.00 58.89 60.63 1mrr h TRP 286 Cb 0.02 -0.28 -0.07 0.00 -0.51 0.00 0.00 29.16 28.32 1mrr h TRP 286 CO -0.00 0.15 0.70 0.00 -1.03 0.00 0.00 178.44 178.26 1mrr h ALA 287 N 1.66 2.55 -0.46 2.65 0.00 -1.51 0.24 119.26 124.40 1mrr h ALA 287 Ca 0.59 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.52 1mrr h ALA 287 Cb 1.11 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1mrr h ALA 287 CO -0.37 -0.90 0.30 -0.44 0.00 0.00 0.00 179.25 177.84 1mrr h ASP 288 N 0.23 0.52 0.37 0.00 3.32 -1.52 -0.36 116.42 118.97 1mrr h ASP 288 Ca 0.53 -0.01 -0.32 0.00 0.02 0.00 0.00 57.03 57.25 1mrr h ASP 288 Cb 1.67 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 41.08 1mrr h ASP 288 CO -0.15 0.38 -1.63 0.22 -1.72 0.00 0.00 179.24 176.33 1mrr h TYR 289 N 0.62 0.47 -0.33 4.55 3.20 -0.78 -2.96 116.97 121.74 1mrr h TYR 289 Ca 0.17 -0.34 -0.05 0.00 3.14 0.00 0.00 58.73 61.65 1mrr h TYR 289 Cb -0.07 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1mrr h TYR 289 CO -0.00 1.45 0.02 1.25 -1.64 0.00 0.00 178.16 179.24 1mrr h LEU 290 N 0.07 0.54 -3.31 2.82 5.85 -0.50 -2.80 115.31 117.98 1mrr h LEU 290 Ca -0.28 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.15 1mrr h LEU 290 Cb 2.03 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.92 1mrr h LEU 290 CO 0.15 0.69 0.00 0.49 -0.34 0.00 0.00 178.44 179.44 1mrr n PHE 291 N -4.57 1.85 -0.27 1.25 3.72 -0.20 -4.56 117.46 114.68 1mrr n PHE 291 Ca -0.02 -0.66 -0.10 0.00 -0.05 0.00 0.00 57.45 56.62 1mrr n PHE 291 Cb 0.24 -0.43 -0.08 0.00 -0.94 0.00 0.00 39.48 38.27 1mrr n PHE 291 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1mrr h ARG 292 N 3.80 -0.10 -0.88 -1.08 2.43 -1.32 -0.98 114.38 116.25 1mrr h ARG 292 Ca 0.00 0.01 -0.33 0.00 -0.81 0.00 0.00 59.98 58.85 1mrr h ARG 292 Cb 1.79 0.02 -0.19 0.00 -0.42 0.00 0.00 29.97 31.17 1mrr h ARG 292 CO 0.41 -0.07 0.41 -0.40 -1.51 0.00 0.00 179.97 178.82 1mrr n ASP 293 N -4.87 4.18 0.00 -3.80 5.75 -1.26 -4.97 116.55 111.58 1mrr n ASP 293 Ca 0.00 -3.27 0.00 0.00 -0.01 0.00 0.00 54.79 51.51 1mrr n ASP 293 Cb 0.24 -0.77 0.00 0.00 -1.03 0.00 0.00 41.12 39.56 1mrr n ASP 293 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mrr n GLY 294 N -0.51 4.49 1.01 6.12 0.00 -0.37 -4.72 105.19 111.21 1mrr n GLY 294 Ca 0.45 -1.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.22 1mrr n GLY 294 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mrr n SER 295 N 0.00 0.28 -4.18 1.61 2.88 -1.26 -4.54 113.62 108.42 1mrr n SER 295 Ca 0.00 -1.26 -0.14 0.00 -1.33 0.00 0.00 58.87 56.14 1mrr n SER 295 Cb 0.00 -0.19 -0.11 0.00 -0.75 0.00 0.00 64.21 63.16 1mrr n SER 295 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1mrr s MET 296 N -3.24 0.86 0.09 -1.46 1.75 -0.80 -4.85 119.30 111.64 1mrr s MET 296 Ca 0.18 -1.18 -0.27 0.00 -1.25 0.00 0.00 55.69 53.17 1mrr s MET 296 Cb -0.01 -0.52 -0.15 0.00 2.84 0.00 0.00 34.83 36.99 1mrr s MET 296 CO 0.12 0.08 1.68 0.82 -0.65 0.00 0.00 175.02 177.07 1mrr h ILE 297 N 3.50 0.68 -0.11 10.11 1.08 -2.03 -3.01 117.51 127.73 1mrr h ILE 297 Ca -0.37 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 1mrr h ILE 297 Cb 1.19 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1mrr h ILE 297 CO 0.54 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.61 1mrr n GLY 298 N -1.27 0.42 2.68 5.37 0.00 -1.26 -4.86 105.19 106.26 1mrr n GLY 298 Ca -0.09 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 1mrr n GLY 298 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mrr s LEU 299 N -1.80 0.17 0.27 0.99 2.96 -1.14 -4.98 118.68 115.15 1mrr s LEU 299 Ca 0.35 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 1mrr s LEU 299 Cb 0.20 -0.03 -0.02 0.00 0.50 0.00 0.00 46.19 46.83 1mrr s LEU 299 CO 0.30 -0.32 0.29 0.54 -1.32 0.00 0.00 176.35 175.84 1mrr s ASN 300 N 2.20 0.69 0.40 3.68 2.20 -1.26 -1.89 114.94 120.96 1mrr s ASN 300 Ca 0.04 -1.45 0.07 0.00 -0.94 0.00 0.00 52.86 50.57 1mrr s ASN 300 Cb -0.15 0.51 0.83 0.00 -2.00 0.00 0.00 41.25 40.44 1mrr s ASN 300 CO -0.08 -1.03 2.04 0.50 -2.94 0.00 0.00 177.10 175.58 1mrr h LYS 301 N 2.34 0.59 -0.46 3.55 3.64 -1.97 -0.89 116.57 123.37 1mrr h LYS 301 Ca -0.30 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 58.97 1mrr h LYS 301 Cb 1.24 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1mrr h LYS 301 CO 0.43 0.39 0.01 -0.44 -2.27 0.00 0.00 179.45 177.57 1mrr h ASP 302 N 0.61 0.79 -0.49 4.20 3.32 -1.98 0.40 116.42 123.27 1mrr h ASP 302 Ca 0.18 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.86 1mrr h ASP 302 Cb -0.01 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1mrr h ASP 302 CO -0.04 0.89 0.03 0.40 -1.72 0.00 0.00 179.24 178.80 1mrr h ILE 303 N 0.65 1.25 -0.21 0.35 1.08 -1.83 -0.51 117.51 118.30 1mrr h ILE 303 Ca 0.13 -1.02 -0.08 0.00 -0.39 0.00 0.00 64.86 63.50 1mrr h ILE 303 Cb 0.48 0.80 -0.00 0.00 -3.07 0.00 0.00 36.82 35.03 1mrr h ILE 303 CO 0.02 0.37 -0.17 0.25 -0.69 0.00 0.00 178.15 177.93 1mrr h LEU 304 N 0.84 0.50 -0.51 1.44 6.46 -0.79 -1.63 115.31 121.62 1mrr h LEU 304 Ca 0.16 -0.46 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 1mrr h LEU 304 Cb 0.46 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.22 1mrr h LEU 304 CO 0.02 0.85 0.33 0.00 -0.62 0.00 0.00 178.44 179.02 1mrr h GLN 306 N 0.69 0.64 -0.13 0.00 4.20 -0.98 -2.50 115.11 117.04 1mrr h GLN 306 Ca 0.19 -0.14 -0.23 0.00 0.06 0.00 0.00 58.65 58.53 1mrr h GLN 306 Cb -0.05 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 27.64 1mrr h GLN 306 CO -0.04 0.63 -0.82 -0.92 -0.67 0.00 0.00 178.83 177.02 1mrr h TYR 307 N 0.62 1.05 -0.51 2.96 3.20 -0.77 -1.99 116.97 121.52 1mrr h TYR 307 Ca 0.13 -0.48 0.06 0.00 3.14 0.00 0.00 58.73 61.58 1mrr h TYR 307 Cb 0.33 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 1mrr h TYR 307 CO 0.01 1.31 0.23 0.28 -1.64 0.00 0.00 178.16 178.36 1mrr h VAL 308 N 0.51 0.90 -0.06 1.81 2.07 -0.93 0.64 116.25 121.19 1mrr h VAL 308 Ca -0.06 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1mrr h VAL 308 Cb 1.45 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1mrr h VAL 308 CO 0.17 0.08 -0.00 -0.33 0.02 0.00 0.00 177.57 177.50 1mrr h GLU 309 N 0.45 0.02 -0.07 1.57 5.08 -1.39 -0.17 114.58 120.07 1mrr h GLU 309 Ca 0.24 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.64 1mrr h GLU 309 Cb 0.19 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 1mrr h GLU 309 CO -0.19 0.01 -0.27 -0.92 -1.00 0.00 0.00 179.01 176.63 1mrr h TYR 310 N 0.02 -0.74 -0.32 4.33 3.20 -0.79 -1.04 116.97 121.63 1mrr h TYR 310 Ca 0.03 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.79 1mrr h TYR 310 Cb 0.04 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1mrr h TYR 310 CO -0.11 -0.36 -0.36 0.97 -1.64 0.00 0.00 178.16 176.66 1mrr h ILE 311 N -0.37 1.29 -0.60 1.81 6.09 -0.67 -2.90 117.51 122.14 1mrr h ILE 311 Ca 0.08 -1.52 -0.02 0.00 -1.37 0.00 0.00 64.86 62.03 1mrr h ILE 311 Cb 0.50 1.43 -0.03 0.00 0.47 0.00 0.00 36.82 39.19 1mrr h ILE 311 CO -0.29 0.49 0.31 0.74 -3.07 0.00 0.00 178.15 176.34 1mrr h THR 312 N 0.60 1.21 -0.56 2.19 2.02 -0.75 -1.51 112.91 116.11 1mrr h THR 312 Ca 0.06 -0.55 0.01 0.00 0.77 0.00 0.00 66.41 66.69 1mrr h THR 312 Cb 0.90 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1mrr h THR 312 CO 0.08 0.23 0.37 0.78 0.37 0.00 0.00 175.52 177.34 1mrr h ASN 313 N 0.82 0.63 0.38 4.18 4.21 -1.08 -0.71 115.58 124.01 1mrr h ASN 313 Ca 0.21 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.69 1mrr h ASN 313 Cb 0.08 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.12 1mrr h ASN 313 CO -0.03 0.45 -0.23 0.40 -1.29 0.00 0.00 177.43 176.73 1mrr h ILE 314 N 0.74 0.51 -0.88 2.81 2.04 -1.25 -2.31 117.51 119.18 1mrr h ILE 314 Ca 0.21 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.14 1mrr h ILE 314 Cb -0.07 0.51 -0.07 0.00 -0.74 0.00 0.00 36.82 36.45 1mrr h ILE 314 CO -0.05 0.00 0.54 0.03 0.00 0.00 0.00 178.15 178.67 1mrr h ARG 315 N -0.59 0.92 -0.56 2.37 -0.00 -1.14 -2.13 114.38 113.25 1mrr h ARG 315 Ca -0.04 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.98 59.30 1mrr h ARG 315 Cb 0.49 -0.21 -0.02 0.00 0.00 0.00 0.00 29.97 30.23 1mrr h ARG 315 CO 0.04 0.61 0.02 0.52 0.00 0.00 0.00 179.97 181.15 1mrr h MET 316 N 0.95 0.98 -0.81 0.04 2.86 -1.00 -2.56 114.93 115.39 1mrr h MET 316 Ca 0.40 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1mrr h MET 316 Cb 0.24 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.77 1mrr h MET 316 CO -0.20 0.98 0.50 0.37 1.06 0.00 0.00 176.91 179.62 1mrr h GLN 317 N 0.87 1.09 0.00 1.72 4.15 -1.17 -1.47 115.11 120.30 1mrr h GLN 317 Ca 0.16 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1mrr h GLN 317 Cb 0.52 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1mrr h GLN 317 CO 0.03 0.76 0.00 0.00 -1.93 0.00 0.00 178.83 177.68 1mrr h ALA 318 N 1.27 1.00 0.00 3.38 0.00 -0.96 -0.88 119.26 123.08 1mrr h ALA 318 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1mrr h ALA 318 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1mrr h ALA 318 CO -0.06 0.00 -0.01 1.55 0.00 0.00 0.00 179.25 180.73 1mrr n VAL 319 N -2.32 1.03 -0.85 0.00 3.14 -0.95 -5.01 118.33 113.37 1mrr n VAL 319 Ca -0.01 -1.08 0.00 0.00 -2.96 0.00 0.00 64.34 60.28 1mrr n VAL 319 Cb 0.04 0.43 0.00 0.00 -1.06 0.00 0.00 33.84 33.25 1mrr n VAL 319 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1mrr n GLY 320 N -0.59 0.51 3.98 7.55 0.00 -0.33 -4.98 105.19 111.32 1mrr n GLY 320 Ca 0.02 -0.88 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 1mrr n GLY 320 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mrr s LEU 321 N 0.00 4.07 0.37 0.99 1.43 -0.60 -5.00 118.68 119.94 1mrr s LEU 321 Ca 0.00 -0.09 -0.26 0.00 -1.03 0.00 0.00 54.13 52.75 1mrr s LEU 321 Cb 0.00 -2.80 -0.09 0.00 0.03 0.00 0.00 46.19 43.33 1mrr s LEU 321 CO 0.00 -0.33 1.11 -1.81 0.23 0.00 0.00 176.35 175.55 1mrr s ASP 322 N -4.12 6.79 -0.07 2.29 1.01 -1.26 -4.19 116.67 117.12 1mrr s ASP 322 Ca 0.42 2.21 -0.30 0.00 0.71 0.00 0.00 52.55 55.60 1mrr s ASP 322 Cb -0.09 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.20 1mrr s ASP 322 CO 0.31 -0.48 1.15 -0.76 0.21 0.00 0.00 175.17 175.60 1mrr s LEU 323 N -2.29 4.27 0.17 1.23 1.43 -1.26 -4.93 118.68 117.30 1mrr s LEU 323 Ca 0.54 1.74 -0.01 0.00 -1.03 0.00 0.00 54.13 55.37 1mrr s LEU 323 Cb -0.28 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.40 1mrr s LEU 323 CO 0.35 -0.56 1.40 -0.65 0.23 0.00 0.00 176.35 177.12 1mrr h PRO 324 N 7.38 0.36 -6.18 1.29 0.11 -1.95 -3.47 132.00 129.54 1mrr h PRO 324 Ca -0.33 -0.33 -0.51 0.00 0.11 0.00 0.00 66.00 64.94 1mrr h PRO 324 Cb 1.16 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 1mrr h PRO 324 CO 0.88 0.99 -0.51 -0.06 -0.21 0.00 0.00 178.00 179.09 1mrr s PHE 325 N -3.46 3.24 0.32 0.65 0.08 -1.26 -5.08 117.98 112.47 1mrr s PHE 325 Ca -0.05 -0.04 -0.29 0.00 0.12 0.00 0.00 56.93 56.67 1mrr s PHE 325 Cb 0.10 -1.49 -0.10 0.00 -0.57 0.00 0.00 43.02 40.96 1mrr s PHE 325 CO 0.84 0.50 1.24 1.21 -0.10 0.00 0.00 175.22 178.91 1mrr s ASN 326 N -3.64 6.92 0.49 1.36 2.47 -1.26 -4.97 114.94 116.32 1mrr s ASN 326 Ca 0.33 2.54 -0.24 0.00 0.42 0.00 0.00 52.86 55.91 1mrr s ASN 326 Cb -0.09 -2.64 -0.07 0.00 -1.45 0.00 0.00 41.25 37.00 1mrr s ASN 326 CO 0.26 -0.42 1.41 -0.89 -3.72 0.00 0.00 177.10 173.74 1mrr s THR 327 N -1.16 2.03 0.09 -5.21 2.01 -1.26 -4.95 115.64 107.19 1mrr s THR 327 Ca 0.48 0.02 -0.18 0.00 0.31 0.00 0.00 61.69 62.32 1mrr s THR 327 Cb -0.37 -3.01 0.04 0.00 0.01 0.00 0.00 72.50 69.17 1mrr s THR 327 CO 0.49 0.00 0.43 0.00 -0.69 0.00 0.00 174.62 174.84 1mrr s ARG 328 N -2.65 1.02 0.57 4.92 1.70 -1.26 -5.16 118.95 118.09 1mrr s ARG 328 Ca 0.66 -0.52 -0.10 0.00 -0.47 0.00 0.00 55.73 55.30 1mrr s ARG 328 Cb -0.43 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.36 1mrr s ARG 328 CO 0.53 -0.38 0.95 -1.12 -1.08 0.00 0.00 175.30 174.21 1mrr s SER 329 N -2.41 6.26 -0.24 -2.89 0.01 -1.26 -4.96 113.70 108.22 1mrr s SER 329 Ca -0.01 1.28 -0.34 0.00 1.31 0.00 0.00 55.95 58.19 1mrr s SER 329 Cb 0.00 -2.41 -0.10 0.00 0.21 0.00 0.00 66.02 63.72 1mrr s SER 329 CO -0.07 -0.76 2.08 -3.20 0.41 0.00 0.00 173.24 171.69 1mrr n ASN 330 N -2.53 2.77 0.23 2.44 2.85 -1.26 -4.86 115.26 114.91 1mrr n ASN 330 Ca 0.04 0.58 0.08 0.00 -0.11 0.00 0.00 54.58 55.17 1mrr n ASN 330 Cb 0.54 -1.34 0.56 0.00 1.24 0.00 0.00 39.78 40.77 1mrr n ASN 330 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1mrr h PRO 331 N 11.64 0.00 -2.18 1.20 0.13 -1.93 -3.30 132.00 137.56 1mrr h PRO 331 Ca -0.38 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.17 1mrr h PRO 331 Cb 1.29 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 32.01 1mrr h PRO 331 CO 0.98 0.20 -0.72 0.44 -0.23 0.00 0.00 178.00 178.68 1mrr n ILE 332 N -3.96 2.04 0.18 -3.56 -5.35 -1.26 -4.94 119.36 102.51 1mrr n ILE 332 Ca -0.02 -5.15 0.09 0.00 -0.27 0.00 0.00 62.75 57.40 1mrr n ILE 332 Cb 0.29 -1.71 0.50 0.00 -1.74 0.00 0.00 39.64 36.98 1mrr n ILE 332 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1mrr h PRO 333 N 3.67 0.00 0.00 6.28 0.13 -1.99 -1.78 132.00 138.32 1mrr h PRO 333 Ca 0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.27 1mrr h PRO 333 Cb 0.66 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 1mrr h PRO 333 CO 0.76 0.00 -0.06 0.11 -0.23 0.00 0.00 178.00 178.59 1mrr h TRP 334 N 0.00 0.00 0.00 1.56 5.08 -1.94 -1.95 115.95 118.69 1mrr h TRP 334 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.97 1mrr h TRP 334 Cb 0.32 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.48 1mrr h TRP 334 CO 0.00 0.06 -0.02 0.97 -1.28 0.00 0.00 178.44 178.17 1mrr h ILE 335 N 0.00 0.07 -0.74 0.12 2.10 -1.74 -2.18 117.51 115.15 1mrr h ILE 335 Ca -0.00 -0.39 0.01 0.00 1.08 0.00 0.00 64.86 65.56 1mrr h ILE 335 Cb 0.15 1.36 -0.04 0.00 -1.09 0.00 0.00 36.82 37.20 1mrr h ILE 335 CO 0.01 0.02 0.49 0.78 -1.08 0.00 0.00 178.15 178.36 1mrr h ASN 336 N 0.00 0.83 -0.36 2.19 4.21 -1.56 -1.69 115.58 119.20 1mrr h ASN 336 Ca -0.00 -0.02 0.10 0.00 1.21 0.00 0.00 56.30 57.59 1mrr h ASN 336 Cb 0.35 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.33 1mrr h ASN 336 CO 0.00 0.60 0.26 0.74 -1.29 0.00 0.00 177.43 177.74 1mrr h THR 337 N 0.99 0.84 -0.02 2.81 2.02 -1.56 -1.99 112.91 115.99 1mrr h THR 337 Ca 0.28 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.44 1mrr h THR 337 Cb -0.09 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1mrr h THR 337 CO -0.07 0.01 -0.02 0.79 0.37 0.00 0.00 175.52 176.60 1mrr n TRP 338 N -4.44 0.00 -4.63 3.16 7.02 -0.66 -5.01 117.44 112.88 1mrr n TRP 338 Ca 0.06 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.23 1mrr n TRP 338 Cb 0.41 -0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 29.17 1mrr n TRP 338 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1mrr s LEU 339 N -2.03 2.62 0.00 -0.99 2.96 -0.75 -4.84 118.68 115.65 1mrr s LEU 339 Ca 0.33 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 1mrr s LEU 339 Cb 0.20 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 45.37 1mrr s LEU 339 CO 0.33 0.25 0.00 0.52 -1.32 0.00 0.00 176.35 176.13