#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mfr s VAL 6 N 0.00 4.73 -0.01 2.12 0.11 -1.26 -5.09 120.40 121.00 3mfr s VAL 6 Ca 0.00 0.81 0.00 0.00 -2.93 0.00 0.00 61.98 59.86 3mfr s VAL 6 Cb 0.00 -3.87 0.02 0.00 -1.53 0.00 0.00 36.38 31.00 3mfr s VAL 6 CO 0.00 -1.11 0.01 -0.76 -3.33 0.00 0.00 175.10 169.90 3mfr s LEU 7 N -5.12 1.52 0.33 2.54 1.43 -1.26 -4.96 118.68 113.15 3mfr s LEU 7 Ca 0.54 0.00 0.10 0.00 -1.03 0.00 0.00 54.13 53.75 3mfr s LEU 7 Cb -0.11 -0.08 0.91 0.00 0.03 0.00 0.00 46.19 46.94 3mfr s LEU 7 CO 0.53 -0.06 1.73 0.15 0.23 0.00 0.00 176.35 178.93 3mfr h PHE 8 N 6.74 0.99 0.00 0.29 3.57 -1.95 0.13 116.94 126.70 3mfr h PHE 8 Ca -0.36 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.18 3mfr h PHE 8 Cb 1.16 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.62 3mfr h PHE 8 CO 0.46 0.05 0.00 0.39 -2.23 0.00 0.00 178.31 176.98 3mfr n GLU 9 N -4.88 0.31 -0.03 1.11 1.02 -1.26 -1.88 120.64 115.03 3mfr n GLU 9 Ca 0.27 0.06 -0.03 0.00 -0.02 0.00 0.00 57.16 57.44 3mfr n GLU 9 Cb 0.77 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.89 3mfr n GLU 9 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3mfr h ASP 10 N 0.00 0.58 0.19 1.62 3.32 -1.15 -3.32 116.42 117.66 3mfr h ASP 10 Ca 0.00 -0.17 -0.35 0.00 0.02 0.00 0.00 57.03 56.53 3mfr h ASP 10 Cb 0.24 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3mfr h ASP 10 CO 0.00 0.75 -1.99 0.52 -1.72 0.00 0.00 179.24 176.80 3mfr n VAL 11 N -4.17 1.72 -4.43 -1.35 0.31 -0.93 -4.92 118.33 104.56 3mfr n VAL 11 Ca 0.01 -0.68 -0.24 0.00 -0.01 0.00 0.00 64.34 63.42 3mfr n VAL 11 Cb 0.35 -1.54 -0.13 0.00 -0.91 0.00 0.00 33.84 31.61 3mfr n VAL 11 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3mfr s TYR 12 N -2.56 1.70 -0.11 3.52 2.02 -0.79 -1.38 117.35 119.75 3mfr s TYR 12 Ca -0.20 -0.40 -0.18 0.00 -0.37 0.00 0.00 57.07 55.93 3mfr s TYR 12 Cb 0.07 -0.98 -0.04 0.00 -0.40 0.00 0.00 41.96 40.61 3mfr s TYR 12 CO 0.77 0.13 0.49 -2.00 -1.57 0.00 0.00 175.55 173.37 3mfr s GLU 13 N -1.53 4.33 0.02 -0.62 2.12 0.16 -4.22 118.70 118.97 3mfr s GLU 13 Ca 0.06 0.48 -0.29 0.00 0.36 0.00 0.00 54.97 55.57 3mfr s GLU 13 Cb -0.09 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 3mfr s GLU 13 CO 0.03 0.18 0.95 -0.51 -0.54 0.00 0.00 175.26 175.37 3mfr s LEU 14 N 0.54 4.40 0.00 2.70 1.43 -1.26 -1.15 118.68 125.33 3mfr s LEU 14 Ca 0.27 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 3mfr s LEU 14 Cb -0.15 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.54 3mfr s LEU 14 CO 0.11 -0.20 0.00 0.00 0.23 0.00 0.00 176.35 176.49 3mfr s GLU 16 N 1.38 2.67 0.11 0.00 8.01 -1.26 -4.42 118.70 125.19 3mfr s GLU 16 Ca 0.00 2.06 -0.31 0.00 0.01 0.00 0.00 54.97 56.73 3mfr s GLU 16 Cb 0.00 -1.90 -0.08 0.00 -4.31 0.00 0.00 34.13 27.84 3mfr s GLU 16 CO 0.00 -1.50 1.39 0.08 0.01 0.00 0.00 175.26 175.24 3mfr s VAL 17 N -1.41 3.32 -0.13 2.63 1.01 -1.26 -0.53 120.40 124.03 3mfr s VAL 17 Ca 0.81 0.95 0.03 0.00 0.00 0.00 0.00 61.98 63.77 3mfr s VAL 17 Cb -0.37 -3.61 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 3mfr s VAL 17 CO 0.40 0.07 -0.08 -0.38 0.00 0.00 0.00 175.10 175.11 3mfr n ILE 18 N 3.96 0.80 -3.86 2.22 2.08 0.13 -4.91 119.36 119.78 3mfr n ILE 18 Ca 0.11 -0.35 -0.11 0.00 0.56 0.00 0.00 62.75 62.96 3mfr n ILE 18 Cb 0.42 -0.92 -0.10 0.00 -0.75 0.00 0.00 39.64 38.29 3mfr n ILE 18 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 3mfr s GLY 19 N -5.11 0.01 0.00 7.39 0.00 -0.78 -4.99 107.32 103.85 3mfr s GLY 19 Ca -0.16 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.53 3mfr s GLY 19 CO 0.36 -0.17 0.00 1.17 0.00 0.00 0.00 173.10 174.46 3mfr n LYS 20 N 1.61 3.99 0.00 2.90 4.81 -1.26 0.32 118.16 130.53 3mfr n LYS 20 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.22 3mfr n LYS 20 Cb 0.56 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.61 3mfr n LYS 20 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mfr n GLY 21 N 5.00 2.84 0.18 3.14 0.00 -1.01 -4.76 105.19 110.57 3mfr n GLY 21 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3mfr n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mfr h ALA 22 N 0.00 1.23 0.00 4.61 0.00 -2.02 -3.28 119.26 119.80 3mfr h ALA 22 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3mfr h ALA 22 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3mfr h ALA 22 CO 0.00 0.56 0.00 1.19 0.00 0.00 0.00 179.25 181.00 3mfr n PHE 23 N -4.02 0.00 -4.01 0.00 3.72 -1.26 -4.96 117.46 106.93 3mfr n PHE 23 Ca -0.02 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.29 3mfr n PHE 23 Cb 0.46 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.93 3mfr n PHE 23 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3mfr s SER 24 N -0.48 0.11 0.01 4.37 1.04 -1.24 -1.00 113.70 116.52 3mfr s SER 24 Ca 0.00 -0.95 -0.01 0.00 0.48 0.00 0.00 55.95 55.47 3mfr s SER 24 Cb 0.00 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 3mfr s SER 24 CO 0.00 -0.85 -0.00 0.54 0.98 0.00 0.00 173.24 173.91 3mfr s VAL 25 N -3.99 0.07 -0.12 5.02 0.11 -0.30 -2.41 120.40 118.79 3mfr s VAL 25 Ca 0.19 -0.61 -0.00 0.00 -2.93 0.00 0.00 61.98 58.63 3mfr s VAL 25 Cb 0.04 -0.20 -0.02 0.00 -1.53 0.00 0.00 36.38 34.67 3mfr s VAL 25 CO 0.00 -0.34 -0.12 -0.69 -3.33 0.00 0.00 175.10 170.63 3mfr s VAL 26 N -1.00 3.15 0.09 2.04 1.01 0.15 0.03 120.40 125.87 3mfr s VAL 26 Ca -0.11 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.28 3mfr s VAL 26 Cb -0.07 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 3mfr s VAL 26 CO -0.00 0.53 -0.11 -0.13 0.00 0.00 0.00 175.10 175.38 3mfr s ARG 27 N 0.23 0.81 0.51 2.72 0.52 -0.22 0.17 118.95 123.69 3mfr s ARG 27 Ca -0.08 -1.06 -0.21 0.00 -0.52 0.00 0.00 55.73 53.87 3mfr s ARG 27 Cb -0.15 -0.61 -0.07 0.00 0.52 0.00 0.00 34.95 34.64 3mfr s ARG 27 CO 0.05 0.11 1.12 0.50 0.02 0.00 0.00 175.30 177.10 3mfr s ARG 28 N -2.34 3.55 0.16 3.54 3.52 0.31 -0.86 118.95 126.83 3mfr s ARG 28 Ca 0.02 1.61 -0.08 0.00 -0.13 0.00 0.00 55.73 57.15 3mfr s ARG 28 Cb -0.06 -2.14 -0.01 0.00 -1.56 0.00 0.00 34.95 31.18 3mfr s ARG 28 CO 0.01 -0.68 0.25 0.00 -0.81 0.00 0.00 175.30 174.07 3mfr s ILE 30 N -3.99 0.80 -0.07 0.00 1.01 -0.30 -0.93 121.20 117.72 3mfr s ILE 30 Ca 0.19 -0.31 -0.29 0.00 0.00 0.00 0.00 60.65 60.24 3mfr s ILE 30 Cb 0.04 -0.75 -0.06 0.00 0.01 0.00 0.00 42.46 41.69 3mfr s ILE 30 CO 0.01 0.27 1.85 0.21 0.00 0.00 0.00 174.94 177.28 3mfr s ASN 31 N 0.61 6.37 0.25 3.58 3.84 0.43 -0.66 114.94 129.36 3mfr s ASN 31 Ca -0.10 2.27 -0.04 0.00 0.21 0.00 0.00 52.86 55.20 3mfr s ASN 31 Cb -0.13 -2.53 0.41 0.00 -0.55 0.00 0.00 41.25 38.45 3mfr s ASN 31 CO 0.01 -1.17 1.81 0.03 -2.79 0.00 0.00 177.10 174.99 3mfr h ARG 32 N 10.90 0.77 -0.20 0.43 3.08 -1.56 0.28 114.38 128.10 3mfr h ARG 32 Ca -0.43 -0.05 -0.21 0.00 0.07 0.00 0.00 59.98 59.37 3mfr h ARG 32 Cb 1.21 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 31.09 3mfr h ARG 32 CO 0.96 0.51 -0.69 0.93 -1.07 0.00 0.00 179.97 180.61 3mfr h GLU 33 N 0.80 0.79 0.00 0.04 4.39 -1.90 -3.37 114.58 115.32 3mfr h GLU 33 Ca 0.41 -0.59 -0.16 0.00 0.34 0.00 0.00 59.36 59.36 3mfr h GLU 33 Cb 0.38 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 3mfr h GLU 33 CO -0.25 1.20 -2.09 0.25 -1.16 0.00 0.00 179.01 176.97 3mfr n THR 34 N -3.95 0.61 -0.26 1.13 -2.24 -1.16 -4.99 114.28 103.42 3mfr n THR 34 Ca -0.06 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3mfr n THR 34 Cb 0.70 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 3mfr n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mfr n GLY 35 N 1.60 2.04 3.76 3.38 0.00 0.99 -5.02 105.19 111.95 3mfr n GLY 35 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3mfr n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mfr s GLN 36 N -0.15 4.21 0.22 1.61 -0.21 -1.26 -4.65 119.66 119.43 3mfr s GLN 36 Ca 0.00 2.43 -0.22 0.00 0.02 0.00 0.00 55.36 57.59 3mfr s GLN 36 Cb 0.00 -3.03 -0.08 0.00 1.00 0.00 0.00 33.01 30.89 3mfr s GLN 36 CO 0.00 -0.44 0.77 -0.65 -2.12 0.00 0.00 175.29 172.85 3mfr s GLN 37 N -1.37 4.37 0.27 2.91 -0.21 -1.26 -0.43 119.66 123.93 3mfr s GLN 37 Ca 0.55 1.00 0.02 0.00 0.02 0.00 0.00 55.36 56.95 3mfr s GLN 37 Cb -0.44 -2.95 -0.04 0.00 1.00 0.00 0.00 33.01 30.58 3mfr s GLN 37 CO 0.54 0.42 0.16 -0.06 -2.12 0.00 0.00 175.29 174.22 3mfr s PHE 38 N -1.45 1.47 -0.08 0.91 0.08 -0.11 -4.34 117.98 114.46 3mfr s PHE 38 Ca 0.42 -1.40 0.02 0.00 0.12 0.00 0.00 56.93 56.10 3mfr s PHE 38 Cb -0.18 -0.74 -0.02 0.00 -0.57 0.00 0.00 43.02 41.50 3mfr s PHE 38 CO 0.22 -0.59 -0.13 0.00 -0.10 0.00 0.00 175.22 174.62 3mfr s ALA 39 N -3.78 2.70 -0.06 5.36 0.00 -0.32 -0.89 121.76 124.77 3mfr s ALA 39 Ca 0.38 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.45 3mfr s ALA 39 Cb 0.06 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 3mfr s ALA 39 CO 0.17 0.46 -0.22 0.54 0.00 0.00 0.00 175.76 176.72 3mfr s VAL 40 N -0.40 1.79 -0.26 0.00 0.11 -0.04 0.21 120.40 121.81 3mfr s VAL 40 Ca 0.05 -0.91 -0.09 0.00 -2.93 0.00 0.00 61.98 58.10 3mfr s VAL 40 Cb -0.12 -1.53 -0.04 0.00 -1.53 0.00 0.00 36.38 33.16 3mfr s VAL 40 CO 0.02 0.50 0.11 -0.75 -3.33 0.00 0.00 175.10 171.66 3mfr s LYS 41 N 0.03 3.77 -0.19 1.54 2.20 0.39 -1.05 119.74 126.43 3mfr s LYS 41 Ca -0.07 -0.41 -0.04 0.00 -0.36 0.00 0.00 55.97 55.09 3mfr s LYS 41 Cb -0.14 -3.44 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 3mfr s LYS 41 CO 0.04 -0.17 -0.04 0.42 -0.36 0.00 0.00 175.35 175.24 3mfr s ILE 42 N 1.62 3.54 -0.14 5.43 1.01 0.10 -0.92 121.20 131.86 3mfr s ILE 42 Ca 0.06 -0.45 -0.03 0.00 0.00 0.00 0.00 60.65 60.24 3mfr s ILE 42 Cb -0.15 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 3mfr s ILE 42 CO 0.06 0.45 -0.05 -0.69 0.00 0.00 0.00 174.94 174.71 3mfr s VAL 43 N 1.01 3.81 -0.60 2.92 1.01 -0.24 -1.14 120.40 127.17 3mfr s VAL 43 Ca 0.01 -0.40 -0.27 0.00 0.00 0.00 0.00 61.98 61.32 3mfr s VAL 43 Cb -0.15 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.63 3mfr s VAL 43 CO 0.00 0.52 1.15 -0.62 0.00 0.00 0.00 175.10 176.15 3mfr s ASP 44 N 0.11 6.37 0.10 3.32 3.68 -0.17 -1.97 116.67 128.11 3mfr s ASP 44 Ca -0.01 -0.11 -0.16 0.00 2.13 0.00 0.00 52.55 54.39 3mfr s ASP 44 Cb -0.14 -2.53 -0.06 0.00 -1.45 0.00 0.00 42.92 38.75 3mfr s ASP 44 CO 0.03 -1.48 1.51 0.58 0.13 0.00 0.00 175.17 175.93 3mfr h VAL 45 N 6.10 1.28 -0.14 1.11 2.07 -1.73 -1.33 116.25 123.61 3mfr h VAL 45 Ca -0.26 -1.08 0.04 0.00 0.82 0.00 0.00 66.70 66.23 3mfr h VAL 45 Cb 1.06 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 3mfr h VAL 45 CO 1.18 0.35 -0.14 0.00 0.02 0.00 0.00 177.57 178.98 3mfr h ALA 46 N 0.80 -0.04 -0.12 1.67 0.00 -1.92 -0.47 119.26 119.19 3mfr h ALA 46 Ca 0.08 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3mfr h ALA 46 Cb 0.54 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3mfr h ALA 46 CO 0.03 -0.58 -0.43 0.87 0.00 0.00 0.00 179.25 179.13 3mfr h LYS 47 N -0.16 0.29 0.55 0.00 1.79 -1.92 -2.42 116.57 114.69 3mfr h LYS 47 Ca 0.10 -0.14 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 3mfr h LYS 47 Cb 0.30 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.96 3mfr h LYS 47 CO -0.24 0.67 -0.27 0.35 -1.08 0.00 0.00 179.45 178.88 3mfr h PHE 48 N 0.24 -0.69 0.00 -1.35 3.57 -1.05 -3.24 116.94 114.42 3mfr h PHE 48 Ca 0.02 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3mfr h PHE 48 Cb 0.86 0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.82 3mfr h PHE 48 CO 0.02 -0.36 0.00 0.25 -2.23 0.00 0.00 178.31 175.99 3mfr n THR 49 N -5.30 1.17 0.00 4.41 -2.24 -0.20 -4.06 114.28 108.06 3mfr n THR 49 Ca -0.11 0.39 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 3mfr n THR 49 Cb 0.33 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 3mfr n THR 49 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3mfr n SER 50 N -1.86 0.00 -0.81 3.42 2.88 -0.92 -4.57 113.62 111.76 3mfr n SER 50 Ca 0.01 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.59 3mfr n SER 50 Cb 0.13 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.58 3mfr n SER 50 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3mfr n SER 51 N 0.00 -4.85 -4.74 -3.46 2.88 -1.25 -4.43 113.62 97.78 3mfr n SER 51 Ca 0.00 0.30 -0.35 0.00 -1.33 0.00 0.00 58.87 57.49 3mfr n SER 51 Cb 0.00 -0.89 -0.08 0.00 -0.75 0.00 0.00 64.21 62.48 3mfr n SER 51 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3mfr s PRO 52 N -0.51 3.31 0.00 -1.46 0.04 -1.26 -4.81 135.00 130.31 3mfr s PRO 52 Ca 0.00 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.73 3mfr s PRO 52 Cb 0.00 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.54 3mfr s PRO 52 CO 0.00 0.65 0.00 0.41 0.04 0.00 0.00 177.00 178.10 3mfr n GLY 53 N 2.34 1.46 3.73 0.56 0.00 -1.26 -5.04 105.19 106.98 3mfr n GLY 53 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 3mfr n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mfr s LEU 54 N 0.00 3.56 0.00 0.99 1.43 -1.26 -5.07 118.68 118.32 3mfr s LEU 54 Ca 0.00 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 52.84 3mfr s LEU 54 Cb 0.00 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 44.03 3mfr s LEU 54 CO 0.00 0.09 0.21 -1.54 0.23 0.00 0.00 176.35 175.35 3mfr n SER 55 N -0.11 -0.60 -0.03 2.29 3.41 -1.26 -4.63 113.62 112.69 3mfr n SER 55 Ca -0.09 -1.70 0.03 0.00 -0.26 0.00 0.00 58.87 56.84 3mfr n SER 55 Cb 0.54 1.09 0.37 0.00 -0.26 0.00 0.00 64.21 65.95 3mfr n SER 55 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3mfr h THR 56 N 1.39 1.14 -0.84 6.66 2.02 -1.96 -2.98 112.91 118.33 3mfr h THR 56 Ca -0.11 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 66.77 3mfr h THR 56 Cb 0.46 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 67.37 3mfr h THR 56 CO 0.15 0.15 0.53 -0.08 0.37 0.00 0.00 175.52 176.64 3mfr h GLU 57 N 0.60 0.96 -0.55 6.66 4.57 -1.99 -2.12 114.58 122.71 3mfr h GLU 57 Ca 0.16 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.20 3mfr h GLU 57 Cb 0.02 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.37 3mfr h GLU 57 CO -0.03 0.63 0.03 -0.44 -1.18 0.00 0.00 179.01 178.03 3mfr h ASP 58 N 0.99 0.89 -0.41 1.04 3.32 -1.93 -0.72 116.42 119.60 3mfr h ASP 58 Ca 0.36 -0.22 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 3mfr h ASP 58 Cb 0.11 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3mfr h ASP 58 CO -0.15 0.94 -0.15 -0.07 -1.72 0.00 0.00 179.24 178.09 3mfr h LEU 59 N 0.86 0.85 -0.72 1.55 3.38 -1.58 -2.58 115.31 117.07 3mfr h LEU 59 Ca 0.17 -0.38 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 3mfr h LEU 59 Cb 0.47 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3mfr h LEU 59 CO 0.02 1.04 -0.35 0.11 0.09 0.00 0.00 178.44 179.35 3mfr h LYS 60 N 0.65 0.58 0.14 1.13 1.57 -1.13 -2.17 116.57 117.33 3mfr h LYS 60 Ca 0.10 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3mfr h LYS 60 Cb 0.69 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 3mfr h LYS 60 CO 0.05 0.85 -0.19 -0.09 -0.57 0.00 0.00 179.45 179.50 3mfr h ARG 61 N 0.49 -0.37 -0.37 3.15 2.43 -1.12 -0.17 114.38 118.43 3mfr h ARG 61 Ca 0.05 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3mfr h ARG 61 Cb 0.84 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 3mfr h ARG 61 CO 0.07 -0.24 0.18 1.49 -1.51 0.00 0.00 179.97 179.95 3mfr h GLU 62 N -0.38 0.36 -0.35 0.20 4.81 -1.33 0.12 114.58 118.01 3mfr h GLU 62 Ca 0.02 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3mfr h GLU 62 Cb 0.38 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3mfr h GLU 62 CO -0.08 0.24 0.07 0.00 -0.73 0.00 0.00 179.01 178.51 3mfr h ALA 63 N 1.19 0.47 -0.17 2.92 0.00 -1.38 -0.35 119.26 121.95 3mfr h ALA 63 Ca 0.16 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3mfr h ALA 63 Cb 0.07 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3mfr h ALA 63 CO -0.11 0.15 -0.20 1.03 0.00 0.00 0.00 179.25 180.13 3mfr h SER 64 N 0.42 -0.61 -0.30 0.00 0.87 -0.71 -0.16 113.55 113.06 3mfr h SER 64 Ca 0.11 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 3mfr h SER 64 Cb 0.33 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 3mfr h SER 64 CO 0.00 -0.24 0.19 0.40 -0.53 0.00 0.00 176.83 176.65 3mfr h ILE 65 N -0.23 1.10 0.00 2.23 2.04 -0.66 -2.63 117.51 119.36 3mfr h ILE 65 Ca 0.11 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.67 3mfr h ILE 65 Cb 0.39 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3mfr h ILE 65 CO -0.30 0.09 -0.43 0.00 0.00 0.00 0.00 178.15 177.51 3mfr h HIS 67 N 0.00 0.94 0.03 0.00 -0.00 -0.88 -3.29 115.15 111.94 3mfr h HIS 67 Ca -0.00 -0.11 -0.22 0.00 -0.00 0.00 0.00 60.37 60.04 3mfr h HIS 67 Cb 0.87 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.99 3mfr h HIS 67 CO 0.00 0.80 -1.02 0.00 -0.00 0.00 0.00 177.93 177.71 3mfr h MET 68 N 0.80 0.08 -5.93 5.26 -0.00 -1.08 -3.43 114.93 110.64 3mfr h MET 68 Ca 0.18 -0.13 -0.60 0.00 -0.00 0.00 0.00 59.70 59.15 3mfr h MET 68 Cb 0.32 0.05 -0.12 0.00 -0.00 0.00 0.00 31.60 31.85 3mfr h MET 68 CO -0.00 1.02 0.62 -0.51 -0.00 0.00 0.00 176.91 178.04 3mfr s LEU 69 N -6.95 4.03 -0.24 -0.10 1.43 -0.82 -4.99 118.68 111.04 3mfr s LEU 69 Ca -0.01 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3mfr s LEU 69 Cb 0.10 -2.84 0.05 0.00 0.03 0.00 0.00 46.19 43.52 3mfr s LEU 69 CO 0.83 -1.28 -0.13 -0.54 0.23 0.00 0.00 176.35 175.46 3mfr s LYS 70 N 4.10 2.40 -0.09 1.70 -0.14 -1.26 -4.78 119.74 121.66 3mfr s LYS 70 Ca 0.31 -1.18 -0.14 0.00 -1.36 0.00 0.00 55.97 53.61 3mfr s LYS 70 Cb -0.12 -2.77 0.03 0.00 -1.68 0.00 0.00 37.83 33.29 3mfr s LYS 70 CO 0.19 -0.47 0.35 -1.58 -0.76 0.00 0.00 175.35 173.08 3mfr s HIS 71 N 1.17 -0.32 0.18 3.18 2.46 -1.26 -5.02 115.29 115.68 3mfr s HIS 71 Ca -0.05 0.71 0.32 0.00 0.47 0.00 0.00 55.06 56.51 3mfr s HIS 71 Cb -0.18 0.13 1.72 0.00 -0.13 0.00 0.00 32.58 34.12 3mfr s HIS 71 CO -0.07 -0.27 1.98 -1.35 -2.47 0.00 0.00 174.74 172.55 3mfr h PRO 72 N 4.90 0.00 -0.15 2.88 0.11 -1.99 -1.69 132.00 136.05 3mfr h PRO 72 Ca -0.28 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 3mfr h PRO 72 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3mfr h PRO 72 CO 0.33 0.00 -0.06 0.72 -0.21 0.00 0.00 178.00 178.78 3mfr n HIS 73 N -2.62 0.52 -4.90 0.65 8.25 -1.26 -4.87 115.22 110.99 3mfr n HIS 73 Ca -0.02 -1.10 -0.27 0.00 -0.26 0.00 0.00 57.72 56.07 3mfr n HIS 73 Cb 0.06 -0.28 -0.16 0.00 1.12 0.00 0.00 29.99 30.73 3mfr n HIS 73 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3mfr s ILE 74 N -2.96 1.54 -0.21 1.59 1.01 -0.64 -0.14 121.20 121.40 3mfr s ILE 74 Ca 0.38 -0.76 -0.29 0.00 0.00 0.00 0.00 60.65 59.98 3mfr s ILE 74 Cb 0.33 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 3mfr s ILE 74 CO 0.04 0.44 1.91 -0.69 0.00 0.00 0.00 174.94 176.64 3mfr s VAL 75 N 0.13 3.32 0.09 2.92 1.01 -0.44 -4.52 120.40 122.90 3mfr s VAL 75 Ca -0.07 0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 3mfr s VAL 75 Cb -0.13 -3.36 -0.06 0.00 0.00 0.00 0.00 36.38 32.83 3mfr s VAL 75 CO 0.03 -0.18 1.20 -0.70 0.00 0.00 0.00 175.10 175.45 3mfr s GLU 76 N 5.43 4.45 -0.12 2.72 2.12 -1.26 -4.89 118.70 127.14 3mfr s GLU 76 Ca 0.86 1.79 -0.29 0.00 0.36 0.00 0.00 54.97 57.69 3mfr s GLU 76 Cb -0.30 -3.32 -0.01 0.00 0.26 0.00 0.00 34.13 30.76 3mfr s GLU 76 CO 0.34 -0.22 1.01 -1.17 -0.54 0.00 0.00 175.26 174.68 3mfr s LEU 77 N 0.80 4.23 -0.23 2.70 2.96 -1.26 -1.52 118.68 126.35 3mfr s LEU 77 Ca 0.58 1.51 -0.16 0.00 -0.22 0.00 0.00 54.13 55.83 3mfr s LEU 77 Cb -0.30 -3.55 -0.17 0.00 0.50 0.00 0.00 46.19 42.67 3mfr s LEU 77 CO 0.31 -0.47 -0.03 0.18 -1.32 0.00 0.00 176.35 175.02 3mfr n LEU 78 N 5.15 2.02 -3.55 -0.68 4.32 0.25 -4.90 117.00 119.61 3mfr n LEU 78 Ca 0.09 0.34 -0.11 0.00 -0.02 0.00 0.00 56.01 56.31 3mfr n LEU 78 Cb 0.48 -0.92 -0.02 0.00 -1.62 0.00 0.00 43.42 41.34 3mfr n LEU 78 CO 0.52 0.48 0.37 -1.83 -1.22 0.00 0.00 177.39 175.71 3mfr s GLU 79 N -2.45 1.35 0.02 3.23 -1.05 -1.14 -5.03 118.70 113.64 3mfr s GLU 79 Ca -0.33 -0.62 0.04 0.00 -0.15 0.00 0.00 54.97 53.91 3mfr s GLU 79 Cb 0.10 0.57 -0.02 0.00 -0.44 0.00 0.00 34.13 34.34 3mfr s GLU 79 CO 0.57 -0.59 -0.13 0.95 0.95 0.00 0.00 175.26 177.01 3mfr s THR 80 N -3.80 1.04 0.07 1.83 -4.23 -1.26 -0.61 115.64 108.68 3mfr s THR 80 Ca 0.04 -0.84 0.08 0.00 -1.18 0.00 0.00 61.69 59.79 3mfr s THR 80 Cb -0.01 -0.92 -0.03 0.00 1.34 0.00 0.00 72.50 72.87 3mfr s THR 80 CO -0.09 0.08 -0.22 -0.31 -0.54 0.00 0.00 174.62 173.54 3mfr s TYR 81 N -0.67 1.95 -0.24 3.99 1.51 0.20 -4.99 117.35 119.10 3mfr s TYR 81 Ca 0.02 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 3mfr s TYR 81 Cb -0.07 -1.12 0.06 0.00 -0.11 0.00 0.00 41.96 40.72 3mfr s TYR 81 CO 0.01 0.16 -0.04 -1.12 -1.11 0.00 0.00 175.55 173.45 3mfr s SER 82 N -1.52 3.88 -0.24 2.29 0.01 -1.26 -0.82 113.70 116.04 3mfr s SER 82 Ca 0.09 -1.24 -0.13 0.00 1.31 0.00 0.00 55.95 55.98 3mfr s SER 82 Cb -0.09 -1.17 0.08 0.00 0.21 0.00 0.00 66.02 65.04 3mfr s SER 82 CO 0.03 -0.25 0.58 -0.94 0.41 0.00 0.00 173.24 173.07 3mfr s SER 83 N 1.39 -0.79 0.00 2.44 1.04 -0.51 -4.96 113.70 112.31 3mfr s SER 83 Ca -0.04 1.29 0.00 0.00 0.48 0.00 0.00 55.95 57.68 3mfr s SER 83 Cb -0.19 1.24 0.00 0.00 0.10 0.00 0.00 66.02 67.17 3mfr s SER 83 CO -0.07 -0.22 0.00 0.47 0.98 0.00 0.00 173.24 174.40 3mfr n ASP 84 N 4.42 -0.38 -0.25 7.02 9.92 -1.26 -2.98 116.55 133.03 3mfr n ASP 84 Ca -0.20 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.03 3mfr n ASP 84 Cb 0.57 -0.06 -0.01 0.00 -0.64 0.00 0.00 41.12 40.97 3mfr n ASP 84 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3mfr n GLY 85 N -2.13 0.63 3.30 0.44 0.00 -1.26 -5.04 105.19 101.13 3mfr n GLY 85 Ca 0.00 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 3mfr n GLY 85 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3mfr s MET 86 N -1.73 2.60 -0.20 1.61 0.00 -1.16 -2.08 119.30 118.34 3mfr s MET 86 Ca 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 55.69 54.78 3mfr s MET 86 Cb 0.00 -2.22 -0.02 0.00 0.00 0.00 0.00 34.83 32.59 3mfr s MET 86 CO 0.00 0.40 -0.03 -1.17 0.00 0.00 0.00 175.02 174.22 3mfr s LEU 87 N -0.19 3.05 -0.27 4.11 0.20 -0.83 -1.42 118.68 123.33 3mfr s LEU 87 Ca -0.02 -0.29 -0.05 0.00 0.69 0.00 0.00 54.13 54.46 3mfr s LEU 87 Cb -0.14 -1.77 0.01 0.00 -0.43 0.00 0.00 46.19 43.87 3mfr s LEU 87 CO 0.03 0.04 0.02 -0.31 -0.29 0.00 0.00 176.35 175.84 3mfr s TYR 88 N 1.13 3.10 -0.30 5.38 1.51 -0.00 -1.08 117.35 127.09 3mfr s TYR 88 Ca 0.02 -1.16 -0.06 0.00 -1.01 0.00 0.00 57.07 54.86 3mfr s TYR 88 Cb -0.15 -2.17 0.02 0.00 -0.11 0.00 0.00 41.96 39.56 3mfr s TYR 88 CO 0.00 -0.62 0.06 -1.64 -1.11 0.00 0.00 175.55 172.24 3mfr s MET 89 N 1.44 2.89 -0.30 -0.62 -1.94 -0.10 -0.63 119.30 120.05 3mfr s MET 89 Ca 0.02 -0.98 -0.17 0.00 -1.71 0.00 0.00 55.69 52.85 3mfr s MET 89 Cb -0.17 -3.32 -0.02 0.00 2.01 0.00 0.00 34.83 33.33 3mfr s MET 89 CO -0.01 -0.50 0.46 0.08 -0.01 0.00 0.00 175.02 175.04 3mfr s VAL 90 N 1.43 5.09 0.23 -6.03 1.01 0.22 -0.46 120.40 121.90 3mfr s VAL 90 Ca 0.01 0.57 0.09 0.00 0.00 0.00 0.00 61.98 62.64 3mfr s VAL 90 Cb -0.18 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3mfr s VAL 90 CO 0.01 0.01 -0.01 -0.36 0.00 0.00 0.00 175.10 174.75 3mfr s PHE 91 N 2.24 2.74 0.68 5.22 0.40 0.13 0.84 117.98 130.24 3mfr s PHE 91 Ca 0.18 -0.20 -0.17 0.00 -0.60 0.00 0.00 56.93 56.14 3mfr s PHE 91 Cb -0.16 -1.26 -0.01 0.00 0.51 0.00 0.00 43.02 42.11 3mfr s PHE 91 CO 0.11 0.58 1.03 -0.85 0.70 0.00 0.00 175.22 176.79 3mfr n GLU 92 N -0.59 0.69 -3.27 0.44 0.28 -0.57 -1.17 120.64 116.44 3mfr n GLU 92 Ca -0.08 0.29 -0.38 0.00 -0.16 0.00 0.00 57.16 56.83 3mfr n GLU 92 Cb 0.57 -2.27 -0.06 0.00 1.43 0.00 0.00 31.44 31.11 3mfr n GLU 92 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3mfr s PHE 93 N -1.68 3.53 -0.37 -1.84 5.36 -1.26 -4.16 117.98 117.56 3mfr s PHE 93 Ca 0.76 0.96 -0.13 0.00 -0.96 0.00 0.00 56.93 57.56 3mfr s PHE 93 Cb -0.37 -2.58 0.01 0.00 -0.34 0.00 0.00 43.02 39.74 3mfr s PHE 93 CO 0.47 0.18 0.24 -1.64 -1.46 0.00 0.00 175.22 173.01 3mfr s MET 94 N 0.57 3.05 0.00 10.12 -1.94 -1.26 -4.94 119.30 124.90 3mfr s MET 94 Ca 0.28 -0.94 0.10 0.00 -1.71 0.00 0.00 55.69 53.41 3mfr s MET 94 Cb -0.16 -3.81 0.32 0.00 2.01 0.00 0.00 34.83 33.19 3mfr s MET 94 CO 0.12 -0.64 1.25 -3.47 -0.01 0.00 0.00 175.02 172.26 3mfr n ASP 95 N 5.07 1.34 -4.59 3.03 4.64 -0.43 -4.84 116.55 120.77 3mfr n ASP 95 Ca -0.12 -1.95 -0.25 0.00 -1.38 0.00 0.00 54.79 51.10 3mfr n ASP 95 Cb 0.47 -0.16 -0.09 0.00 -1.04 0.00 0.00 41.12 40.30 3mfr n ASP 95 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 3mfr s GLY 96 N -1.08 2.06 0.44 0.27 0.00 -0.35 -3.84 107.32 104.83 3mfr s GLY 96 Ca 0.19 -1.97 -0.05 0.00 0.00 0.00 0.00 44.72 42.89 3mfr s GLY 96 CO 0.14 -1.93 0.61 0.00 0.00 0.00 0.00 173.10 171.91 3mfr n ALA 97 N -0.88 -0.44 -1.47 3.20 0.00 -1.26 -4.40 120.51 115.27 3mfr n ALA 97 Ca -0.05 -0.92 -0.33 0.00 0.00 0.00 0.00 53.44 52.15 3mfr n ALA 97 Cb 0.62 0.04 0.05 0.00 0.00 0.00 0.00 19.45 20.16 3mfr n ALA 97 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3mfr s ASP 98 N -3.30 5.01 0.48 0.00 3.84 -1.26 -1.82 116.67 119.63 3mfr s ASP 98 Ca 0.36 1.95 0.18 0.00 -0.00 0.00 0.00 52.55 55.04 3mfr s ASP 98 Cb -0.01 -2.54 1.20 0.00 -1.38 0.00 0.00 42.92 40.18 3mfr s ASP 98 CO 0.25 -1.70 2.02 0.17 -0.00 0.00 0.00 175.17 175.92 3mfr h LEU 99 N -0.21 0.17 -0.22 2.11 8.10 -1.40 -0.70 115.31 123.16 3mfr h LEU 99 Ca -0.46 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.34 3mfr h LEU 99 Cb 1.24 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 41.43 3mfr h LEU 99 CO 0.54 0.11 -0.61 0.00 -4.11 0.00 0.00 178.44 174.37 3mfr h PHE 101 N 0.54 0.33 -0.75 0.00 0.04 -1.75 -3.24 116.94 112.11 3mfr h PHE 101 Ca -0.01 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 3mfr h PHE 101 Cb 1.23 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 39.24 3mfr h PHE 101 CO 0.08 0.33 0.37 0.93 -0.60 0.00 0.00 178.31 179.43 3mfr h GLU 102 N 0.24 1.06 -0.65 1.51 4.39 -1.02 -2.80 114.58 117.29 3mfr h GLU 102 Ca 0.08 -0.14 0.07 0.00 0.34 0.00 0.00 59.36 59.71 3mfr h GLU 102 Cb 0.13 -0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 28.52 3mfr h GLU 102 CO -0.01 0.80 0.34 0.82 -1.16 0.00 0.00 179.01 179.81 3mfr h ILE 103 N 1.05 0.92 -0.60 3.13 2.04 -0.92 0.70 117.51 123.84 3mfr h ILE 103 Ca 0.26 -0.21 -0.10 0.00 1.00 0.00 0.00 64.86 65.80 3mfr h ILE 103 Cb 0.09 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 3mfr h ILE 103 CO -0.04 0.11 -0.03 0.58 0.00 0.00 0.00 178.15 178.78 3mfr h VAL 104 N 0.62 1.27 0.04 1.67 2.07 -1.55 -0.98 116.25 119.39 3mfr h VAL 104 Ca 0.30 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.65 3mfr h VAL 104 Cb 0.24 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3mfr h VAL 104 CO -0.21 0.43 -0.18 0.11 0.02 0.00 0.00 177.57 177.74 3mfr h LYS 105 N 0.97 -0.30 -0.56 1.57 1.57 -1.15 0.91 116.57 119.58 3mfr h LYS 105 Ca 0.17 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.07 3mfr h LYS 105 Cb 0.60 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.89 3mfr h LYS 105 CO 0.04 -0.20 0.11 -0.09 -0.57 0.00 0.00 179.45 178.73 3mfr h ARG 106 N -0.31 0.23 -0.43 3.15 2.43 -0.65 0.22 114.38 119.02 3mfr h ARG 106 Ca 0.04 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 3mfr h ARG 106 Cb 0.36 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3mfr h ARG 106 CO -0.14 0.15 0.02 0.00 -1.51 0.00 0.00 179.97 178.49 3mfr h ALA 107 N 1.45 0.58 0.00 2.80 0.00 -0.95 -2.24 119.26 120.90 3mfr h ALA 107 Ca 0.29 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3mfr h ALA 107 Cb 0.42 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3mfr h ALA 107 CO -0.38 0.35 -0.01 -0.44 0.00 0.00 0.00 179.25 178.76 3mfr h ASP 108 N 0.59 0.00 0.26 0.00 3.45 -0.34 -1.98 116.42 118.40 3mfr h ASP 108 Ca 0.12 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.58 3mfr h ASP 108 Cb 0.46 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.23 3mfr h ASP 108 CO 0.02 0.01 -0.01 0.00 -1.57 0.00 0.00 179.24 177.69 3mfr n ALA 109 N -2.10 2.61 -0.13 3.45 0.00 0.02 -4.91 120.51 119.46 3mfr n ALA 109 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3mfr n ALA 109 Cb 0.32 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3mfr n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mfr n GLY 110 N 1.15 0.90 3.89 0.00 0.00 -0.74 -5.07 105.19 105.31 3mfr n GLY 110 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3mfr n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mfr s PHE 111 N -2.03 3.52 0.08 1.61 0.40 -0.87 -5.03 117.98 115.67 3mfr s PHE 111 Ca 0.00 0.60 -0.31 0.00 -0.60 0.00 0.00 56.93 56.62 3mfr s PHE 111 Cb 0.00 -2.03 -0.08 0.00 0.51 0.00 0.00 43.02 41.43 3mfr s PHE 111 CO 0.00 0.49 1.45 0.08 0.70 0.00 0.00 175.22 177.94 3mfr s VAL 112 N -1.53 3.31 -0.28 -0.44 1.01 -1.26 -4.03 120.40 117.17 3mfr s VAL 112 Ca 0.37 0.87 -0.07 0.00 0.00 0.00 0.00 61.98 63.14 3mfr s VAL 112 Cb -0.13 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.69 3mfr s VAL 112 CO 0.22 0.04 0.08 -0.47 0.00 0.00 0.00 175.10 174.96 3mfr s TYR 113 N 1.66 3.12 0.37 5.22 6.14 -1.26 -4.96 117.35 127.64 3mfr s TYR 113 Ca 0.66 -0.82 0.04 0.00 0.64 0.00 0.00 57.07 57.60 3mfr s TYR 113 Cb -0.36 -2.25 -0.03 0.00 0.42 0.00 0.00 41.96 39.73 3mfr s TYR 113 CO 0.30 -0.52 0.16 -1.54 0.64 0.00 0.00 175.55 174.59 3mfr s SER 114 N 1.53 2.31 0.40 4.32 1.04 -1.26 -0.58 113.70 121.46 3mfr s SER 114 Ca 0.04 -1.65 0.10 0.00 0.48 0.00 0.00 55.95 54.92 3mfr s SER 114 Cb -0.16 0.46 0.89 0.00 0.10 0.00 0.00 66.02 67.30 3mfr s SER 114 CO 0.03 -0.93 1.96 -0.33 0.98 0.00 0.00 173.24 174.95 3mfr h GLU 115 N 1.96 0.56 -0.60 4.02 5.08 -1.75 -2.11 114.58 121.73 3mfr h GLU 115 Ca -0.34 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.01 3mfr h GLU 115 Cb 1.26 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 3mfr h GLU 115 CO 0.53 0.37 0.38 0.00 -1.00 0.00 0.00 179.01 179.29 3mfr h ALA 116 N 1.65 0.77 0.05 3.43 0.00 -1.75 0.52 119.26 123.93 3mfr h ALA 116 Ca 0.30 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3mfr h ALA 116 Cb 0.42 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3mfr h ALA 116 CO -0.10 0.14 -0.03 0.28 0.00 0.00 0.00 179.25 179.55 3mfr h VAL 117 N 0.76 1.01 -0.51 0.00 2.07 -1.73 -1.24 116.25 116.61 3mfr h VAL 117 Ca 0.23 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.56 3mfr h VAL 117 Cb -0.03 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3mfr h VAL 117 CO -0.08 0.05 0.31 0.00 0.02 0.00 0.00 177.57 177.88 3mfr h ALA 118 N 0.78 0.65 -0.27 1.67 0.00 -0.95 -2.54 119.26 118.60 3mfr h ALA 118 Ca -0.01 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3mfr h ALA 118 Cb 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3mfr h ALA 118 CO 0.01 0.02 0.10 1.03 0.00 0.00 0.00 179.25 180.42 3mfr h SER 119 N 0.62 0.12 -0.66 0.00 0.87 0.12 -0.08 113.55 114.55 3mfr h SER 119 Ca 0.20 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.80 3mfr h SER 119 Cb -0.00 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 3mfr h SER 119 CO -0.08 0.10 0.42 -0.74 -0.53 0.00 0.00 176.83 176.01 3mfr h HIS 120 N 0.23 0.80 -0.40 2.24 2.76 -1.03 -0.38 115.15 119.36 3mfr h HIS 120 Ca 0.12 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.26 3mfr h HIS 120 Cb 0.08 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 28.75 3mfr h HIS 120 CO -0.12 0.48 0.08 1.88 -1.30 0.00 0.00 177.93 178.95 3mfr h TYR 121 N 0.85 0.70 -0.48 5.26 0.99 -1.26 -2.91 116.97 120.12 3mfr h TYR 121 Ca 0.25 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.89 3mfr h TYR 121 Cb -0.05 -0.19 -0.02 0.00 1.00 0.00 0.00 36.73 37.46 3mfr h TYR 121 CO -0.04 0.68 0.31 0.52 -0.00 0.00 0.00 178.16 179.63 3mfr h MET 122 N 0.51 0.64 -0.94 4.88 2.86 -0.69 -2.16 114.93 120.03 3mfr h MET 122 Ca 0.12 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.81 3mfr h MET 122 Cb 0.35 -0.14 -0.07 0.00 0.06 0.00 0.00 31.60 31.79 3mfr h MET 122 CO 0.01 0.43 0.58 -0.09 1.06 0.00 0.00 176.91 178.90 3mfr h ARG 123 N 0.65 0.96 -0.53 1.72 2.43 -1.02 -1.17 114.38 117.41 3mfr h ARG 123 Ca 0.17 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 3mfr h ARG 123 Cb -0.06 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.26 3mfr h ARG 123 CO -0.04 0.63 0.04 1.96 -1.51 0.00 0.00 179.97 181.05 3mfr h GLN 124 N 0.99 0.91 -0.46 0.20 4.20 -1.25 0.13 115.11 119.83 3mfr h GLN 124 Ca 0.44 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 3mfr h GLN 124 Cb 0.34 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3mfr h GLN 124 CO -0.23 0.91 0.28 0.82 -0.67 0.00 0.00 178.83 179.95 3mfr h ILE 125 N 0.78 1.14 -0.13 2.54 2.04 -0.76 -2.22 117.51 120.90 3mfr h ILE 125 Ca 0.15 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 3mfr h ILE 125 Cb 0.48 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3mfr h ILE 125 CO 0.02 0.14 -0.32 -0.07 0.00 0.00 0.00 178.15 177.92 3mfr h LEU 126 N 0.61 0.26 -0.42 1.44 3.38 -1.02 -1.24 115.31 118.32 3mfr h LEU 126 Ca 0.17 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3mfr h LEU 126 Cb -0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3mfr h LEU 126 CO -0.03 0.57 0.19 -0.33 0.09 0.00 0.00 178.44 178.93 3mfr h GLU 127 N 0.22 0.61 0.24 1.13 5.08 -0.55 0.44 114.58 121.76 3mfr h GLU 127 Ca 0.03 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3mfr h GLU 127 Cb 0.68 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 3mfr h GLU 127 CO 0.05 0.54 -0.15 0.00 -1.00 0.00 0.00 179.01 178.44 3mfr h ALA 128 N 1.04 -0.37 -0.29 3.43 0.00 -1.05 -2.92 119.26 119.09 3mfr h ALA 128 Ca 0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3mfr h ALA 128 Cb 0.14 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3mfr h ALA 128 CO -0.02 -0.72 0.06 -0.07 0.00 0.00 0.00 179.25 178.51 3mfr h LEU 129 N -0.39 0.38 -0.23 0.00 3.38 -1.07 -1.75 115.31 115.63 3mfr h LEU 129 Ca -0.02 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.94 3mfr h LEU 129 Cb 0.32 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3mfr h LEU 129 CO 0.02 0.40 -0.00 -0.09 0.09 0.00 0.00 178.44 178.86 3mfr h ARG 130 N 0.42 0.07 -0.41 1.13 2.43 0.02 0.17 114.38 118.21 3mfr h ARG 130 Ca 0.10 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3mfr h ARG 130 Cb 0.18 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3mfr h ARG 130 CO -0.00 0.05 0.21 -0.92 -1.51 0.00 0.00 179.97 177.79 3mfr h TYR 131 N 0.07 0.58 -0.23 2.20 3.20 -1.28 0.26 116.97 121.76 3mfr h TYR 131 Ca 0.11 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.01 3mfr h TYR 131 Cb 0.14 -0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.15 3mfr h TYR 131 CO -0.19 0.46 -0.36 0.00 -1.64 0.00 0.00 178.16 176.43 3mfr h HIS 133 N -0.38 0.41 -0.87 0.00 3.86 -0.23 -0.67 115.15 117.28 3mfr h HIS 133 Ca 0.11 -0.06 0.13 0.00 -1.16 0.00 0.00 60.37 59.40 3mfr h HIS 133 Cb 0.57 -0.11 -0.07 0.00 1.06 0.00 0.00 27.41 28.86 3mfr h HIS 133 CO -0.49 0.52 0.56 -0.44 0.86 0.00 0.00 177.93 178.94 3mfr h ASP 134 N 0.36 0.64 -0.45 2.45 3.45 -0.34 -0.64 116.42 121.88 3mfr h ASP 134 Ca 0.07 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.56 3mfr h ASP 134 Cb 0.48 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 3mfr h ASP 134 CO 0.03 0.33 0.00 0.59 -1.57 0.00 0.00 179.24 178.62 3mfr n ASN 135 N -4.54 2.53 -3.00 6.45 3.02 -0.34 -4.93 115.26 114.45 3mfr n ASN 135 Ca 0.16 -2.03 -0.22 0.00 -0.03 0.00 0.00 54.58 52.46 3mfr n ASN 135 Cb 0.45 -0.32 0.03 0.00 -0.61 0.00 0.00 39.78 39.33 3mfr n ASN 135 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3mfr n ASN 136 N 0.82 -6.09 -4.42 6.41 3.02 -0.25 -4.91 115.26 109.85 3mfr n ASN 136 Ca 0.15 -0.28 -0.33 0.00 -0.03 0.00 0.00 54.58 54.10 3mfr n ASN 136 Cb 0.41 -4.93 -0.14 0.00 -0.61 0.00 0.00 39.78 34.52 3mfr n ASN 136 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3mfr s ILE 137 N -3.17 3.05 -0.02 2.41 1.01 -0.73 -0.52 121.20 123.22 3mfr s ILE 137 Ca 0.29 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 60.29 3mfr s ILE 137 Cb -0.13 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 3mfr s ILE 137 CO 0.36 0.56 -0.15 0.27 0.00 0.00 0.00 174.94 175.98 3mfr s ILE 138 N -0.19 2.99 -0.05 2.92 -4.36 -0.54 -3.50 121.20 118.46 3mfr s ILE 138 Ca 0.00 -0.87 -0.23 0.00 -0.26 0.00 0.00 60.65 59.29 3mfr s ILE 138 Cb -0.13 -2.20 -0.28 0.00 1.25 0.00 0.00 42.46 41.10 3mfr s ILE 138 CO 0.03 0.51 0.92 -0.74 0.24 0.00 0.00 174.94 175.90 3mfr h HIS 139 N 5.07 0.44 0.00 1.37 -0.00 -1.91 -1.48 115.15 118.63 3mfr h HIS 139 Ca -0.47 -0.29 0.00 0.00 -0.00 0.00 0.00 60.37 59.61 3mfr h HIS 139 Cb 1.15 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.54 3mfr h HIS 139 CO 0.51 1.19 0.00 0.54 -0.00 0.00 0.00 177.93 180.17 3mfr n ARG 140 N -4.26 0.00 -2.64 5.26 1.74 -1.26 -3.18 116.66 112.31 3mfr n ARG 140 Ca -0.12 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 56.96 3mfr n ARG 140 Cb 0.71 -3.04 0.06 0.00 -1.02 0.00 0.00 32.46 29.17 3mfr n ARG 140 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3mfr n ASP 141 N 0.00 0.95 -4.65 0.55 2.03 -1.26 -4.25 116.55 109.91 3mfr n ASP 141 Ca 0.00 -2.05 -0.42 0.00 0.52 0.00 0.00 54.79 52.83 3mfr n ASP 141 Cb 0.00 -0.25 -0.03 0.00 -0.72 0.00 0.00 41.12 40.12 3mfr n ASP 141 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3mfr s VAL 142 N -2.70 3.45 0.15 5.18 1.01 -1.26 -4.82 120.40 121.40 3mfr s VAL 142 Ca 0.24 0.54 -0.24 0.00 0.00 0.00 0.00 61.98 62.51 3mfr s VAL 142 Cb 0.34 -3.38 0.07 0.00 0.00 0.00 0.00 36.38 33.40 3mfr s VAL 142 CO -0.07 -0.09 0.78 -1.59 0.00 0.00 0.00 175.10 174.14 3mfr s LYS 143 N 4.38 1.26 0.24 2.72 -2.85 -1.26 -4.72 119.74 119.51 3mfr s LYS 143 Ca 0.78 -0.59 -0.05 0.00 -1.00 0.00 0.00 55.97 55.11 3mfr s LYS 143 Cb -0.34 0.50 0.42 0.00 -2.06 0.00 0.00 37.83 36.35 3mfr s LYS 143 CO 0.32 -0.57 1.77 -1.35 0.10 0.00 0.00 175.35 175.62 3mfr h PRO 144 N 2.00 0.57 -0.10 1.78 0.11 -1.92 -2.10 132.00 132.34 3mfr h PRO 144 Ca -0.25 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.85 3mfr h PRO 144 Cb 1.26 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3mfr h PRO 144 CO 0.30 0.38 0.14 0.93 -0.21 0.00 0.00 178.00 179.54 3mfr h GLU 145 N 0.58 0.00 -0.60 1.05 3.07 -1.97 0.41 114.58 117.12 3mfr h GLU 145 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 3mfr h GLU 145 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 3mfr h GLU 145 CO -0.32 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.38 3mfr n ASN 146 N -3.60 3.74 -4.06 1.42 3.02 -0.79 -4.79 115.26 110.21 3mfr n ASN 146 Ca -0.00 -2.00 -0.32 0.00 -0.03 0.00 0.00 54.58 52.23 3mfr n ASN 146 Cb 0.24 -0.39 -0.15 0.00 -0.61 0.00 0.00 39.78 38.87 3mfr n ASN 146 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mfr s VAL 147 N -1.21 2.21 0.12 2.41 1.01 0.13 -0.73 120.40 124.34 3mfr s VAL 147 Ca 0.45 -1.77 0.09 0.00 0.00 0.00 0.00 61.98 60.75 3mfr s VAL 147 Cb 0.24 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3mfr s VAL 147 CO 0.33 -0.14 -0.18 -0.76 0.00 0.00 0.00 175.10 174.34 3mfr s LEU 148 N 1.06 2.69 0.21 3.92 1.43 -0.94 -1.34 118.68 125.71 3mfr s LEU 148 Ca -0.05 -0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 52.18 3mfr s LEU 148 Cb -0.20 -1.53 -0.08 0.00 0.03 0.00 0.00 46.19 44.41 3mfr s LEU 148 CO -0.06 0.18 1.04 -0.76 0.23 0.00 0.00 176.35 176.98 3mfr s LEU 149 N -2.17 4.55 0.46 1.79 2.01 -0.76 -1.75 118.68 122.82 3mfr s LEU 149 Ca 0.18 2.05 0.24 0.00 0.01 0.00 0.00 54.13 56.62 3mfr s LEU 149 Cb -0.10 -3.61 1.11 0.00 0.01 0.00 0.00 46.19 43.60 3mfr s LEU 149 CO 0.10 -0.07 1.92 0.00 1.01 0.00 0.00 176.35 179.31 3mfr h ALA 150 N 4.58 1.15 -2.86 4.21 0.00 -1.30 -0.91 119.26 124.13 3mfr h ALA 150 Ca -0.45 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 3mfr h ALA 150 Cb 1.21 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 3mfr h ALA 150 CO 0.70 0.26 -0.03 -1.54 0.00 0.00 0.00 179.25 178.64 3mfr s SER 151 N -6.25 -0.15 -1.29 0.00 1.04 -1.26 -1.31 113.70 104.47 3mfr s SER 151 Ca -0.01 -0.78 -0.12 0.00 0.48 0.00 0.00 55.95 55.52 3mfr s SER 151 Cb 0.12 0.61 0.14 0.00 0.10 0.00 0.00 66.02 66.99 3mfr s SER 151 CO 0.62 -1.16 1.82 0.29 0.98 0.00 0.00 173.24 175.80 3mfr n LYS 152 N -0.38 3.43 -3.94 4.02 5.02 -1.25 -4.46 118.16 120.59 3mfr n LYS 152 Ca -0.04 -3.45 -0.10 0.00 -2.02 0.00 0.00 58.31 52.71 3mfr n LYS 152 Cb 0.61 -3.04 -0.11 0.00 -0.02 0.00 0.00 35.03 32.47 3mfr n LYS 152 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3mfr s GLU 153 N 1.31 0.34 0.43 1.97 2.02 -1.26 -5.05 118.70 118.45 3mfr s GLU 153 Ca 0.42 -0.51 0.09 0.00 0.02 0.00 0.00 54.97 54.99 3mfr s GLU 153 Cb 0.07 0.13 0.92 0.00 0.10 0.00 0.00 34.13 35.35 3mfr s GLU 153 CO -0.00 -0.07 2.05 -0.91 0.02 0.00 0.00 175.26 176.35 3mfr h ASN 154 N 4.64 0.34 -0.08 -0.19 2.35 -2.02 -2.66 115.58 117.96 3mfr h ASN 154 Ca -0.31 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 3mfr h ASN 154 Cb 1.21 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.49 3mfr h ASN 154 CO 0.41 0.29 0.00 -1.54 -1.65 0.00 0.00 177.43 174.94 3mfr n SER 155 N -4.45 1.99 -4.78 5.81 3.41 -1.26 -4.97 113.62 109.37 3mfr n SER 155 Ca 0.01 -1.68 -0.41 0.00 -0.26 0.00 0.00 58.87 56.53 3mfr n SER 155 Cb 0.10 -0.04 -0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3mfr n SER 155 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mfr s ALA 156 N -1.91 3.55 0.81 7.33 0.00 -1.01 -4.98 121.76 125.56 3mfr s ALA 156 Ca 0.35 1.54 -0.12 0.00 0.00 0.00 0.00 51.96 53.73 3mfr s ALA 156 Cb 0.20 -3.60 0.08 0.00 0.00 0.00 0.00 23.12 19.80 3mfr s ALA 156 CO 0.31 -1.03 1.11 -1.25 0.00 0.00 0.00 175.76 174.90 3mfr s PRO 157 N -2.09 1.96 0.01 0.00 0.04 -1.26 -4.78 135.00 128.87 3mfr s PRO 157 Ca 0.53 0.49 0.07 0.00 0.04 0.00 0.00 61.00 62.12 3mfr s PRO 157 Cb -0.46 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 3mfr s PRO 157 CO 0.62 -1.67 -0.19 0.08 0.04 0.00 0.00 177.00 175.87 3mfr s VAL 158 N -3.25 2.69 -0.01 -0.36 1.01 -1.26 -0.86 120.40 118.36 3mfr s VAL 158 Ca 0.61 -1.09 0.04 0.00 0.00 0.00 0.00 61.98 61.54 3mfr s VAL 158 Cb -0.14 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 3mfr s VAL 158 CO 0.53 0.43 -0.12 -0.54 0.00 0.00 0.00 175.10 175.40 3mfr s LYS 159 N -1.14 1.00 -0.00 2.72 1.02 -0.72 -4.70 119.74 117.92 3mfr s LYS 159 Ca 0.13 -0.43 -0.27 0.00 0.02 0.00 0.00 55.97 55.42 3mfr s LYS 159 Cb -0.10 -0.96 -0.04 0.00 -0.52 0.00 0.00 37.83 36.20 3mfr s LYS 159 CO 0.03 0.25 0.84 -1.17 -0.92 0.00 0.00 175.35 174.39 3mfr s LEU 160 N -0.25 4.38 0.00 3.17 2.96 0.81 -2.22 118.68 127.52 3mfr s LEU 160 Ca 0.04 1.47 0.00 0.00 -0.22 0.00 0.00 54.13 55.42 3mfr s LEU 160 Cb -0.05 -3.34 0.00 0.00 0.50 0.00 0.00 46.19 43.30 3mfr s LEU 160 CO -0.00 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.49 3mfr n GLY 161 N 2.82 5.67 3.39 7.98 0.00 0.09 -1.33 105.19 123.81 3mfr n GLY 161 Ca 0.02 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 3mfr n GLY 161 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mfr n ASP 162 N -0.71 -5.98 -1.64 1.61 -0.08 -1.26 -4.88 116.55 103.61 3mfr n ASP 162 Ca 0.00 -0.07 -0.08 0.00 -1.51 0.00 0.00 54.79 53.14 3mfr n ASP 162 Cb 0.00 -2.44 0.17 0.00 2.34 0.00 0.00 41.12 41.19 3mfr n ASP 162 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3mfr n PHE 163 N -0.37 1.73 0.27 -0.67 3.01 -1.26 -4.58 117.46 115.59 3mfr n PHE 163 Ca -0.06 -1.02 0.15 0.00 1.01 0.00 0.00 57.45 57.54 3mfr n PHE 163 Cb 0.64 -0.57 0.88 0.00 -0.01 0.00 0.00 39.48 40.42 3mfr n PHE 163 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3mfr h GLY 164 N 2.97 0.00 -0.15 1.37 0.00 -1.91 -2.52 103.07 102.83 3mfr h GLY 164 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3mfr h GLY 164 CO 0.56 0.00 0.00 3.33 0.00 0.00 0.00 176.54 180.43 3mfr n VAL 165 N -3.88 1.49 -1.89 4.60 0.24 -1.26 -4.92 118.33 112.71 3mfr n VAL 165 Ca -0.02 -1.65 -0.34 0.00 -2.04 0.00 0.00 64.34 60.30 3mfr n VAL 165 Cb 0.14 0.11 0.04 0.00 -1.47 0.00 0.00 33.84 32.65 3mfr n VAL 165 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mfr s ALA 166 N -1.99 2.53 -0.08 2.33 0.00 -0.95 -4.69 121.76 118.91 3mfr s ALA 166 Ca 0.18 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 3mfr s ALA 166 Cb 0.16 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.97 3mfr s ALA 166 CO 0.03 -1.15 0.28 -1.50 0.00 0.00 0.00 175.76 173.42 3mfr s ILE 167 N -2.16 0.02 0.03 0.00 2.07 -0.56 -4.87 121.20 115.73 3mfr s ILE 167 Ca 0.69 -0.18 -0.26 0.00 -1.41 0.00 0.00 60.65 59.49 3mfr s ILE 167 Cb -0.22 -0.46 -0.05 0.00 0.13 0.00 0.00 42.46 41.86 3mfr s ILE 167 CO 0.37 -0.10 0.81 -1.58 -1.91 0.00 0.00 174.94 172.53 3mfr s GLN 168 N -0.34 4.52 0.64 3.50 0.74 -1.26 -1.47 119.66 125.99 3mfr s GLN 168 Ca -0.05 1.13 -0.12 0.00 0.05 0.00 0.00 55.36 56.37 3mfr s GLN 168 Cb -0.03 -3.39 -0.03 0.00 1.10 0.00 0.00 33.01 30.66 3mfr s GLN 168 CO 0.01 0.20 1.04 -0.51 -0.55 0.00 0.00 175.29 175.48 3mfr s LEU 169 N 0.22 3.26 0.00 3.68 1.43 0.32 -5.00 118.68 122.58 3mfr s LEU 169 Ca 0.41 1.55 -0.08 0.00 -1.03 0.00 0.00 54.13 54.98 3mfr s LEU 169 Cb -0.20 -4.49 0.12 0.00 0.03 0.00 0.00 46.19 41.64 3mfr s LEU 169 CO 0.24 -1.09 0.71 0.61 0.23 0.00 0.00 176.35 177.05 3mfr n GLY 170 N -2.18 -1.01 0.26 -3.19 0.00 -1.25 -4.91 105.19 92.92 3mfr n GLY 170 Ca 0.07 -1.74 0.01 0.00 0.00 0.00 0.00 46.02 44.35 3mfr n GLY 170 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3mfr h GLU 171 N 0.00 0.58 -0.08 1.61 4.81 -1.98 -1.38 114.58 118.14 3mfr h GLU 171 Ca -0.23 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.99 3mfr h GLU 171 Cb 0.66 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 3mfr h GLU 171 CO 0.17 0.38 0.15 0.66 -0.73 0.00 0.00 179.01 179.65 3mfr h SER 172 N 0.59 0.00 0.00 1.04 4.64 -2.04 -3.45 113.55 114.33 3mfr h SER 172 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3mfr h SER 172 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3mfr h SER 172 CO -0.25 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.32 3mfr n GLY 173 N -1.27 0.53 3.18 -0.77 0.00 -0.52 -5.05 105.19 101.29 3mfr n GLY 173 Ca -0.01 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 3mfr n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mfr s LEU 174 N 0.00 2.42 0.22 0.99 1.43 -1.26 -4.26 118.68 118.22 3mfr s LEU 174 Ca 0.00 -0.84 0.08 0.00 -1.03 0.00 0.00 54.13 52.34 3mfr s LEU 174 Cb 0.00 -0.30 -0.05 0.00 0.03 0.00 0.00 46.19 45.87 3mfr s LEU 174 CO 0.00 -0.28 -0.13 0.68 0.23 0.00 0.00 176.35 176.85 3mfr s VAL 175 N -2.58 1.73 0.46 -1.59 -7.23 0.92 -3.76 120.40 108.35 3mfr s VAL 175 Ca 0.07 -2.20 -0.11 0.00 -1.81 0.00 0.00 61.98 57.92 3mfr s VAL 175 Cb -0.02 -2.11 -0.06 0.00 0.56 0.00 0.00 36.38 34.75 3mfr s VAL 175 CO -0.00 -0.55 0.84 0.00 -0.31 0.00 0.00 175.10 175.09 3mfr s ALA 176 N -2.97 3.27 0.00 1.32 0.00 -1.26 -1.92 121.76 120.19 3mfr s ALA 176 Ca 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.05 3mfr s ALA 176 Cb -0.00 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.30 3mfr s ALA 176 CO 0.08 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.08 3mfr n GLY 177 N -1.62 2.88 0.00 0.00 0.00 -1.26 -4.91 105.19 100.27 3mfr n GLY 177 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3mfr n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mfr n GLY 178 N 0.00 0.00 3.60 -0.02 0.00 -1.26 -4.44 105.19 103.07 3mfr n GLY 178 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3mfr n GLY 178 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mfr s ARG 179 N 0.00 3.43 0.01 1.61 0.52 -1.26 -4.94 118.95 118.32 3mfr s ARG 179 Ca 0.00 1.33 0.05 0.00 -0.52 0.00 0.00 55.73 56.59 3mfr s ARG 179 Cb 0.00 -4.14 -0.02 0.00 0.52 0.00 0.00 34.95 31.31 3mfr s ARG 179 CO 0.00 -1.74 -0.17 0.54 0.02 0.00 0.00 175.30 173.95 3mfr s VAL 180 N 6.39 1.32 0.00 3.52 0.11 -1.26 -5.08 120.40 125.40 3mfr s VAL 180 Ca 0.75 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 3mfr s VAL 180 Cb -0.20 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.52 3mfr s VAL 180 CO 0.33 0.28 0.00 0.61 -3.33 0.00 0.00 175.10 172.99 3mfr n GLY 181 N 2.41 0.14 3.27 6.54 0.00 -1.26 -4.94 105.19 111.34 3mfr n GLY 181 Ca -0.16 -2.14 -0.34 0.00 0.00 0.00 0.00 46.02 43.38 3mfr n GLY 181 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mfr s THR 182 N 0.00 3.00 0.32 2.61 2.01 -1.26 -5.03 115.64 117.29 3mfr s THR 182 Ca 0.00 -0.62 0.07 0.00 0.31 0.00 0.00 61.69 61.45 3mfr s THR 182 Cb 0.00 -2.34 0.40 0.00 0.01 0.00 0.00 72.50 70.57 3mfr s THR 182 CO 0.00 0.46 1.55 -2.65 -0.69 0.00 0.00 174.62 173.29 3mfr n PRO 183 N 4.63 -0.07 0.30 4.92 -0.02 -1.26 -0.78 135.00 142.72 3mfr n PRO 183 Ca -0.19 1.44 0.19 0.00 -2.02 0.00 0.00 63.50 62.92 3mfr n PRO 183 Cb 0.51 -2.37 0.87 0.00 -0.02 0.00 0.00 33.50 32.49 3mfr n PRO 183 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3mfr h HIS 184 N 0.00 0.00 -0.01 6.00 3.86 -1.96 -2.91 115.15 120.13 3mfr h HIS 184 Ca 0.66 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.87 3mfr h HIS 184 Cb 1.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.98 3mfr h HIS 184 CO -0.36 0.01 0.00 1.19 0.86 0.00 0.00 177.93 179.63 3mfr n PHE 185 N -3.13 0.00 -2.09 2.45 3.01 0.04 -4.80 117.46 112.94 3mfr n PHE 185 Ca -0.01 -0.01 -0.41 0.00 1.01 0.00 0.00 57.45 58.03 3mfr n PHE 185 Cb 0.22 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.67 3mfr n PHE 185 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 3mfr s MET 186 N -0.58 4.31 0.63 -1.08 -1.94 -0.94 -4.27 119.30 115.43 3mfr s MET 186 Ca 0.08 2.20 -0.15 0.00 -1.71 0.00 0.00 55.69 56.11 3mfr s MET 186 Cb 0.06 -3.15 -0.02 0.00 2.01 0.00 0.00 34.83 33.73 3mfr s MET 186 CO 0.09 -0.37 1.08 0.00 -0.01 0.00 0.00 175.02 175.81 3mfr s ALA 187 N 0.16 2.61 0.27 3.03 0.00 -1.26 -4.82 121.76 121.76 3mfr s ALA 187 Ca 0.59 0.42 -0.05 0.00 0.00 0.00 0.00 51.96 52.93 3mfr s ALA 187 Cb -0.40 -3.26 0.33 0.00 0.00 0.00 0.00 23.12 19.79 3mfr s ALA 187 CO 0.40 -1.06 1.94 -1.00 0.00 0.00 0.00 175.76 176.04 3mfr h PRO 188 N 0.13 1.24 0.00 0.00 0.13 -1.88 -1.04 132.00 130.58 3mfr h PRO 188 Ca -0.46 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.58 3mfr h PRO 188 Cb 1.23 -0.28 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 3mfr h PRO 188 CO 0.56 0.82 -0.07 1.05 -0.23 0.00 0.00 178.00 180.13 3mfr h GLU 189 N 1.28 0.00 0.10 0.86 9.09 -1.93 -1.62 114.58 122.37 3mfr h GLU 189 Ca 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.75 3mfr h GLU 189 Cb -0.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 26.96 3mfr h GLU 189 CO -0.08 0.07 -0.05 0.28 0.05 0.00 0.00 179.01 179.29 3mfr h VAL 190 N 0.00 0.73 -0.98 -1.06 2.07 -1.49 -1.05 116.25 114.47 3mfr h VAL 190 Ca -0.00 -1.30 0.25 0.00 0.82 0.00 0.00 66.70 66.46 3mfr h VAL 190 Cb 0.16 1.31 -0.13 0.00 -1.52 0.00 0.00 31.29 31.12 3mfr h VAL 190 CO 0.01 0.22 0.55 0.58 0.02 0.00 0.00 177.57 178.95 3mfr h VAL 191 N -0.96 0.49 0.00 2.57 2.07 -1.29 0.12 116.25 119.26 3mfr h VAL 191 Ca -0.01 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3mfr h VAL 191 Cb 0.47 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3mfr h VAL 191 CO 0.02 0.09 0.00 0.29 0.02 0.00 0.00 177.57 178.00 3mfr n LYS 192 N -4.94 0.58 -3.67 1.57 5.02 -0.62 -4.91 118.16 111.18 3mfr n LYS 192 Ca 0.26 0.02 -0.23 0.00 -2.02 0.00 0.00 58.31 56.34 3mfr n LYS 192 Cb 0.76 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.32 3mfr n LYS 192 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3mfr n ARG 193 N -1.18 -6.05 -4.02 1.97 1.74 0.03 -5.02 116.66 104.12 3mfr n ARG 193 Ca 0.16 0.71 -0.23 0.00 -0.77 0.00 0.00 57.85 57.72 3mfr n ARG 193 Cb 0.17 -5.55 -0.03 0.00 -1.02 0.00 0.00 32.46 26.03 3mfr n ARG 193 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3mfr s GLU 194 N -6.06 3.22 0.42 5.56 2.02 -0.41 -4.54 118.70 118.91 3mfr s GLU 194 Ca 0.28 -0.83 -0.25 0.00 0.02 0.00 0.00 54.97 54.19 3mfr s GLU 194 Cb -0.13 -2.78 -0.10 0.00 0.10 0.00 0.00 34.13 31.22 3mfr s GLU 194 CO 0.78 0.45 1.10 -2.30 0.02 0.00 0.00 175.26 175.31 3mfr n PRO 195 N -1.02 1.53 -3.98 0.39 -0.02 -1.26 -4.41 135.00 126.23 3mfr n PRO 195 Ca -0.08 0.55 -0.09 0.00 -2.02 0.00 0.00 63.50 61.86 3mfr n PRO 195 Cb 0.56 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.83 3mfr n PRO 195 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3mfr s TYR 196 N -1.25 0.32 0.00 6.00 -0.85 -0.81 -4.94 117.35 115.82 3mfr s TYR 196 Ca 0.63 -0.68 0.00 0.00 -0.52 0.00 0.00 57.07 56.50 3mfr s TYR 196 Cb -0.54 0.22 0.00 0.00 0.38 0.00 0.00 41.96 42.02 3mfr s TYR 196 CO 0.57 -1.00 0.00 0.41 -1.52 0.00 0.00 175.55 174.01 3mfr n GLY 197 N -0.38 3.40 0.38 5.49 0.00 -1.26 -0.05 105.19 112.77 3mfr n GLY 197 Ca -0.02 -0.06 0.19 0.00 0.00 0.00 0.00 46.02 46.13 3mfr n GLY 197 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mfr h LYS 198 N 0.00 0.50 -0.03 1.61 1.57 -1.97 -1.56 116.57 116.69 3mfr h LYS 198 Ca 0.00 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3mfr h LYS 198 Cb 0.00 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 3mfr h LYS 198 CO 0.00 0.33 0.09 -1.35 -0.57 0.00 0.00 179.45 177.95 3mfr h PRO 199 N 0.52 0.00 -0.32 3.15 0.11 -1.94 -2.26 132.00 131.26 3mfr h PRO 199 Ca 0.58 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.65 3mfr h PRO 199 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3mfr h PRO 199 CO -0.33 0.00 0.03 -0.39 -0.21 0.00 0.00 178.00 177.10 3mfr h VAL 200 N 0.00 1.18 -0.01 3.15 -1.51 -1.69 -1.60 116.25 115.77 3mfr h VAL 200 Ca 0.02 -0.67 -0.20 0.00 -1.23 0.00 0.00 66.70 64.61 3mfr h VAL 200 Cb 0.19 0.90 -0.01 0.00 -2.13 0.00 0.00 31.29 30.25 3mfr h VAL 200 CO -0.00 0.23 -0.85 0.44 -1.23 0.00 0.00 177.57 176.16 3mfr h ASP 201 N 0.47 0.36 -0.39 4.19 3.32 -1.61 -1.92 116.42 120.83 3mfr h ASP 201 Ca 0.11 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 3mfr h ASP 201 Cb 0.26 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3mfr h ASP 201 CO 0.00 1.05 0.21 0.58 -1.72 0.00 0.00 179.24 179.37 3mfr h VAL 202 N 0.17 1.15 -0.52 -1.35 2.07 -1.51 -1.47 116.25 114.80 3mfr h VAL 202 Ca -0.05 -0.41 0.07 0.00 0.82 0.00 0.00 66.70 67.13 3mfr h VAL 202 Cb 1.46 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 3mfr h VAL 202 CO 0.14 0.16 0.20 -0.25 0.02 0.00 0.00 177.57 177.84 3mfr h TRP 203 N 0.50 0.36 -0.82 1.57 2.91 -1.16 0.27 115.95 119.59 3mfr h TRP 203 Ca 0.14 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.17 3mfr h TRP 203 Cb 0.07 -0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 28.59 3mfr h TRP 203 CO -0.02 0.13 0.47 0.78 -1.03 0.00 0.00 178.44 178.77 3mfr h GLY 204 N 0.40 1.22 1.40 2.65 0.00 -1.18 -1.07 103.07 106.47 3mfr h GLY 204 Ca 0.24 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3mfr h GLY 204 CO -0.23 0.51 0.38 0.00 0.00 0.00 0.00 176.54 177.20 3mfr h GLY 206 N 0.85 0.73 0.87 0.00 0.00 0.24 0.55 103.07 106.30 3mfr h GLY 206 Ca 0.22 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 3mfr h GLY 206 CO -0.04 0.50 -0.11 -2.08 0.00 0.00 0.00 176.54 174.80 3mfr h VAL 207 N 0.61 1.29 -0.43 4.60 2.07 -1.08 -0.67 116.25 122.65 3mfr h VAL 207 Ca 0.11 -1.18 0.05 0.00 0.82 0.00 0.00 66.70 66.49 3mfr h VAL 207 Cb 0.57 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 3mfr h VAL 207 CO 0.04 0.37 0.18 0.40 0.02 0.00 0.00 177.57 178.58 3mfr h ILE 208 N 0.28 0.91 -0.71 4.57 2.04 -1.13 -1.41 117.51 122.06 3mfr h ILE 208 Ca 0.06 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.81 3mfr h ILE 208 Cb 0.61 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 3mfr h ILE 208 CO 0.04 0.07 0.46 0.25 0.00 0.00 0.00 178.15 178.97 3mfr h LEU 209 N 0.36 0.79 -0.26 1.44 5.85 -0.79 0.55 115.31 123.26 3mfr h LEU 209 Ca 0.19 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.93 3mfr h LEU 209 Cb 0.15 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3mfr h LEU 209 CO -0.17 0.57 0.08 0.15 -0.34 0.00 0.00 178.44 178.73 3mfr h PHE 210 N 0.94 0.15 -0.24 1.25 3.04 -0.82 -0.85 116.94 120.41 3mfr h PHE 210 Ca 0.27 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.22 3mfr h PHE 210 Cb -0.08 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.39 3mfr h PHE 210 CO -0.03 0.06 0.12 0.82 -2.02 0.00 0.00 178.31 177.27 3mfr h ILE 211 N 0.20 1.13 -0.94 1.41 2.04 -0.68 -2.14 117.51 118.52 3mfr h ILE 211 Ca 0.12 -0.37 0.12 0.00 1.00 0.00 0.00 64.86 65.73 3mfr h ILE 211 Cb 0.09 0.93 -0.08 0.00 -0.74 0.00 0.00 36.82 37.02 3mfr h ILE 211 CO -0.13 0.13 0.57 -0.07 0.00 0.00 0.00 178.15 178.66 3mfr h LEU 212 N 0.27 0.83 -0.04 1.44 3.38 0.41 0.57 115.31 122.16 3mfr h LEU 212 Ca 0.08 0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.92 3mfr h LEU 212 Cb 0.10 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3mfr h LEU 212 CO -0.01 0.44 -0.89 -0.07 0.09 0.00 0.00 178.44 178.00 3mfr h LEU 213 N 0.91 0.00 0.00 1.67 3.38 -1.07 -3.40 115.31 116.79 3mfr h LEU 213 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3mfr h LEU 213 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3mfr h LEU 213 CO -0.27 0.89 -0.31 -1.54 0.09 0.00 0.00 178.44 177.30 3mfr n SER 214 N -3.35 1.53 0.00 -0.43 3.41 -0.81 -4.76 113.62 109.21 3mfr n SER 214 Ca 0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 3mfr n SER 214 Cb 0.88 0.55 0.00 0.00 -0.26 0.00 0.00 64.21 65.39 3mfr n SER 214 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mfr n GLY 215 N 1.01 0.41 3.80 5.00 0.00 0.20 -4.54 105.19 111.06 3mfr n GLY 215 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3mfr n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mfr s LEU 217 N -2.35 4.46 0.28 0.00 1.43 -1.26 -3.39 118.68 117.85 3mfr s LEU 217 Ca 0.30 1.55 0.13 0.00 -1.03 0.00 0.00 54.13 55.08 3mfr s LEU 217 Cb -0.12 -3.35 0.32 0.00 0.03 0.00 0.00 46.19 43.07 3mfr s LEU 217 CO 0.22 -0.02 1.57 1.55 0.23 0.00 0.00 176.35 179.90 3mfr h PRO 218 N 5.71 0.00 -4.51 1.29 0.13 -1.92 -3.43 132.00 129.26 3mfr h PRO 218 Ca -0.43 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.19 3mfr h PRO 218 Cb 1.21 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.00 3mfr h PRO 218 CO 0.71 0.60 -0.81 -0.06 -0.23 0.00 0.00 178.00 178.21 3mfr s PHE 219 N -3.37 1.42 0.22 1.56 0.08 -1.26 -4.56 117.98 112.07 3mfr s PHE 219 Ca 0.00 -0.52 -0.04 0.00 0.12 0.00 0.00 56.93 56.49 3mfr s PHE 219 Cb 0.11 -1.05 0.02 0.00 -0.57 0.00 0.00 43.02 41.53 3mfr s PHE 219 CO 0.75 -0.27 0.36 2.48 -0.10 0.00 0.00 175.22 178.44 3mfr n TYR 220 N 3.84 -1.36 0.00 0.36 0.18 -1.26 -4.91 117.16 114.01 3mfr n TYR 220 Ca -0.23 -1.29 0.00 0.00 1.88 0.00 0.00 57.90 58.26 3mfr n TYR 220 Cb 0.52 0.42 0.00 0.00 -0.38 0.00 0.00 39.34 39.90 3mfr n TYR 220 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3mfr n GLY 221 N -0.33 -0.63 3.52 -7.48 0.00 -1.26 -2.86 105.19 96.15 3mfr n GLY 221 Ca -0.02 -2.18 -0.32 0.00 0.00 0.00 0.00 46.02 43.50 3mfr n GLY 221 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mfr n THR 222 N 0.00 0.20 -0.34 2.61 -2.24 -1.26 -4.56 114.28 108.69 3mfr n THR 222 Ca 0.00 -0.14 0.17 0.00 -2.27 0.00 0.00 64.05 61.82 3mfr n THR 222 Cb 0.00 -0.79 0.39 0.00 -2.10 0.00 0.00 70.33 67.83 3mfr n THR 222 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3mfr h LYS 223 N -1.59 0.57 0.00 -0.78 1.57 -1.98 0.23 116.57 114.59 3mfr h LYS 223 Ca -0.44 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3mfr h LYS 223 Cb 1.28 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3mfr h LYS 223 CO 0.38 0.38 -0.47 1.49 -0.57 0.00 0.00 179.45 180.65 3mfr h GLU 224 N 0.59 0.00 0.24 3.15 4.57 -1.97 -0.16 114.58 121.00 3mfr h GLU 224 Ca 0.63 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 58.47 3mfr h GLU 224 Cb 1.20 0.00 0.04 0.00 -0.16 0.00 0.00 28.75 29.83 3mfr h GLU 224 CO -0.43 0.00 -1.48 -0.09 -1.18 0.00 0.00 179.01 175.83 3mfr h ARG 225 N 0.00 0.52 -0.09 1.92 9.65 -1.63 -2.04 114.38 122.71 3mfr h ARG 225 Ca 0.00 -0.88 0.02 0.00 -1.10 0.00 0.00 59.98 58.02 3mfr h ARG 225 Cb 0.97 0.33 -0.06 0.00 -1.39 0.00 0.00 29.97 29.82 3mfr h ARG 225 CO 0.00 1.42 -0.49 1.25 2.80 0.00 0.00 179.97 184.95 3mfr h LEU 226 N 0.11 -1.54 -0.85 3.80 5.85 -0.43 0.12 115.31 122.37 3mfr h LEU 226 Ca -0.26 0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 3mfr h LEU 226 Cb 2.14 0.60 -0.04 0.00 0.37 0.00 0.00 40.66 43.73 3mfr h LEU 226 CO 0.26 -0.45 0.34 -0.26 -0.34 0.00 0.00 178.44 177.99 3mfr h PHE 227 N -0.55 1.20 -0.63 1.25 0.05 -1.09 -0.48 116.94 116.69 3mfr h PHE 227 Ca 0.02 -0.08 0.00 0.00 3.82 0.00 0.00 57.97 61.74 3mfr h PHE 227 Cb 0.62 -0.36 -0.03 0.00 2.00 0.00 0.00 35.95 38.18 3mfr h PHE 227 CO -0.55 0.89 0.40 0.93 -0.18 0.00 0.00 178.31 179.80 3mfr h GLU 228 N 1.16 0.84 -0.07 1.51 5.08 -1.29 -1.85 114.58 119.96 3mfr h GLU 228 Ca 0.27 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.60 3mfr h GLU 228 Cb 0.18 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3mfr h GLU 228 CO -0.03 0.58 -0.14 0.78 -1.00 0.00 0.00 179.01 179.21 3mfr h GLY 229 N 0.85 -0.11 0.65 -3.84 0.00 0.16 -1.57 103.07 99.21 3mfr h GLY 229 Ca 0.23 0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.77 3mfr h GLY 229 CO -0.05 -0.14 0.06 -2.22 0.00 0.00 0.00 176.54 174.19 3mfr h ILE 230 N -0.20 0.86 -0.90 2.60 2.04 -1.02 -0.59 117.51 120.29 3mfr h ILE 230 Ca 0.07 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 3mfr h ILE 230 Cb 0.30 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3mfr h ILE 230 CO -0.19 0.03 0.50 0.40 0.00 0.00 0.00 178.15 178.89 3mfr h ILE 231 N 0.17 1.26 0.00 -0.67 2.04 -1.12 -1.92 117.51 117.27 3mfr h ILE 231 Ca 0.14 -0.64 -0.12 0.00 1.00 0.00 0.00 64.86 65.24 3mfr h ILE 231 Cb 0.15 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 3mfr h ILE 231 CO -0.18 0.29 -0.59 0.11 0.00 0.00 0.00 178.15 177.78 3mfr h LYS 232 N 1.26 0.00 -0.08 2.37 6.56 -1.13 -3.48 116.57 122.07 3mfr h LYS 232 Ca 0.32 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.87 3mfr h LYS 232 Cb 0.02 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.67 3mfr h LYS 232 CO -0.05 0.59 -0.03 0.41 -2.06 0.00 0.00 179.45 178.31 3mfr n GLY 233 N 0.46 0.51 3.66 3.86 0.00 -0.24 -5.00 105.19 108.43 3mfr n GLY 233 Ca -0.01 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 3mfr n GLY 233 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mfr s LYS 234 N -1.13 4.14 0.13 1.61 1.02 -1.24 -4.94 119.74 119.33 3mfr s LYS 234 Ca 0.00 0.08 0.04 0.00 0.02 0.00 0.00 55.97 56.11 3mfr s LYS 234 Cb 0.00 -3.55 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 3mfr s LYS 234 CO 0.00 -0.03 -0.11 1.52 -0.92 0.00 0.00 175.35 175.81 3mfr s TYR 235 N 1.31 1.22 -0.13 3.18 1.13 -1.26 -4.89 117.35 117.91 3mfr s TYR 235 Ca 0.16 -0.70 0.00 0.00 -1.41 0.00 0.00 57.07 55.13 3mfr s TYR 235 Cb -0.15 -0.64 -0.01 0.00 -1.10 0.00 0.00 41.96 40.07 3mfr s TYR 235 CO 0.07 0.07 -0.15 0.15 -2.51 0.00 0.00 175.55 173.18 3mfr s LYS 236 N -3.29 3.30 -1.01 -3.49 1.02 -1.26 -5.05 119.74 109.96 3mfr s LYS 236 Ca 0.12 -0.72 -0.15 0.00 0.02 0.00 0.00 55.97 55.24 3mfr s LYS 236 Cb -0.00 -2.59 0.19 0.00 -0.52 0.00 0.00 37.83 34.90 3mfr s LYS 236 CO 0.01 0.16 1.12 -1.64 -0.92 0.00 0.00 175.35 174.07 3mfr s MET 237 N 0.48 3.83 -0.33 1.68 -1.94 -1.26 -4.98 119.30 116.77 3mfr s MET 237 Ca -0.10 -2.38 -0.38 0.00 -1.71 0.00 0.00 55.69 51.11 3mfr s MET 237 Cb -0.16 -4.78 -0.14 0.00 2.01 0.00 0.00 34.83 31.76 3mfr s MET 237 CO 0.05 -1.57 1.98 -1.71 -0.01 0.00 0.00 175.02 173.76 3mfr n ASN 238 N 5.08 2.13 -0.33 3.03 4.05 -1.26 -4.77 115.26 123.19 3mfr n ASN 238 Ca 0.25 0.75 0.08 0.00 0.45 0.00 0.00 54.58 56.11 3mfr n ASN 238 Cb 0.45 -1.17 0.24 0.00 1.23 0.00 0.00 39.78 40.54 3mfr n ASN 238 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 3mfr h PRO 239 N 9.61 0.76 -0.74 1.20 0.11 -1.95 -1.77 132.00 139.23 3mfr h PRO 239 Ca -0.34 -0.05 0.21 0.00 0.11 0.00 0.00 66.00 65.93 3mfr h PRO 239 Cb 1.33 -0.17 -0.14 0.00 0.11 0.00 0.00 31.00 32.13 3mfr h PRO 239 CO 1.00 0.50 0.03 -2.13 -0.21 0.00 0.00 178.00 177.19 3mfr n ARG 240 N -4.76 -0.06 -0.12 1.05 0.63 -1.26 -0.54 116.66 111.60 3mfr n ARG 240 Ca 0.18 1.10 -0.25 0.00 -0.92 0.00 0.00 57.85 57.97 3mfr n ARG 240 Cb 0.42 -1.75 -0.09 0.00 0.45 0.00 0.00 32.46 31.48 3mfr n ARG 240 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3mfr n GLN 241 N -5.00 0.54 0.25 -0.14 3.00 -1.06 -4.67 117.38 110.31 3mfr n GLN 241 Ca 0.18 0.21 0.16 0.00 -0.01 0.00 0.00 57.00 57.54 3mfr n GLN 241 Cb 0.58 -1.41 0.60 0.00 0.00 0.00 0.00 30.24 30.01 3mfr n GLN 241 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 3mfr h TRP 242 N -0.70 0.00 -0.03 1.08 4.06 -1.13 -2.91 115.95 116.32 3mfr h TRP 242 Ca -0.61 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.35 3mfr h TRP 242 Cb 1.62 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.77 3mfr h TRP 242 CO -0.06 0.00 0.09 0.66 -3.56 0.00 0.00 178.44 175.57 3mfr h SER 243 N 0.00 0.00 0.07 -3.49 4.64 -1.03 -1.98 113.55 111.77 3mfr h SER 243 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mfr h SER 243 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3mfr h SER 243 CO 0.00 0.00 -0.24 1.41 -0.87 0.00 0.00 176.83 177.13 3mfr n HIS 244 N -3.30 0.00 -3.68 4.77 8.25 -1.10 -4.93 115.22 115.23 3mfr n HIS 244 Ca -0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.07 3mfr n HIS 244 Cb 0.16 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.17 3mfr n HIS 244 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3mfr s ILE 245 N -2.32 5.31 0.75 1.59 -1.09 -0.74 -5.07 121.20 119.61 3mfr s ILE 245 Ca 0.26 0.48 -0.13 0.00 -2.23 0.00 0.00 60.65 59.03 3mfr s ILE 245 Cb 0.19 -3.55 0.05 0.00 -1.58 0.00 0.00 42.46 37.57 3mfr s ILE 245 CO 0.47 0.55 1.13 -0.94 -1.23 0.00 0.00 174.94 174.93 3mfr s SER 246 N -0.70 4.39 0.33 3.58 1.04 -1.26 -4.90 113.70 116.17 3mfr s SER 246 Ca 0.18 2.07 0.02 0.00 0.48 0.00 0.00 55.95 58.70 3mfr s SER 246 Cb -0.14 -2.55 0.56 0.00 0.10 0.00 0.00 66.02 63.99 3mfr s SER 246 CO 0.07 -2.12 1.91 -0.33 0.98 0.00 0.00 173.24 173.75 3mfr h GLU 247 N -0.65 0.71 -0.63 4.02 4.39 -1.98 -2.74 114.58 117.71 3mfr h GLU 247 Ca -0.46 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.13 3mfr h GLU 247 Cb 1.26 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.75 3mfr h GLU 247 CO 0.50 0.60 0.35 1.03 -1.16 0.00 0.00 179.01 180.34 3mfr h SER 248 N 0.71 0.78 -0.42 1.42 0.87 -1.92 0.22 113.55 115.21 3mfr h SER 248 Ca 0.17 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 3mfr h SER 248 Cb 0.17 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 3mfr h SER 248 CO -0.01 0.64 0.05 0.00 -0.53 0.00 0.00 176.83 176.97 3mfr h ALA 249 N 1.17 0.56 -0.34 6.23 0.00 -1.84 -2.34 119.26 122.69 3mfr h ALA 249 Ca 0.22 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3mfr h ALA 249 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3mfr h ALA 249 CO -0.04 0.29 -0.14 0.87 0.00 0.00 0.00 179.25 180.23 3mfr h LYS 250 N 0.55 0.61 -0.27 0.00 1.57 -1.18 -1.62 116.57 116.24 3mfr h LYS 250 Ca 0.12 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3mfr h LYS 250 Cb 0.41 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3mfr h LYS 250 CO 0.01 0.74 0.07 0.22 -0.57 0.00 0.00 179.45 179.92 3mfr h ASP 251 N 0.56 0.06 -0.38 0.86 1.82 -0.44 -1.17 116.42 117.72 3mfr h ASP 251 Ca 0.10 0.03 0.01 0.00 -0.39 0.00 0.00 57.03 56.78 3mfr h ASP 251 Cb 0.57 0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.60 3mfr h ASP 251 CO 0.04 0.07 0.25 0.25 -1.61 0.00 0.00 179.24 178.23 3mfr h LEU 252 N 0.18 0.43 -0.27 2.28 6.46 -1.04 -1.83 115.31 121.52 3mfr h LEU 252 Ca 0.12 -0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.93 3mfr h LEU 252 Cb 0.11 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 39.88 3mfr h LEU 252 CO -0.14 0.31 -0.06 0.58 -0.62 0.00 0.00 178.44 178.50 3mfr h VAL 253 N 0.51 0.73 -0.90 1.05 2.07 -1.14 -0.72 116.25 117.85 3mfr h VAL 253 Ca 0.14 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.70 3mfr h VAL 253 Cb -0.05 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 3mfr h VAL 253 CO -0.03 0.00 0.58 0.03 0.02 0.00 0.00 177.57 178.17 3mfr h ARG 254 N 0.00 1.10 -0.16 1.57 3.08 -0.89 -0.40 114.38 118.67 3mfr h ARG 254 Ca 0.13 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 3mfr h ARG 254 Cb 0.20 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3mfr h ARG 254 CO -0.28 0.73 -0.43 0.00 -1.07 0.00 0.00 179.97 178.91 3mfr h ARG 255 N 1.13 0.39 0.00 0.04 3.08 -0.90 -2.64 114.38 115.47 3mfr h ARG 255 Ca 0.36 -0.20 -0.15 0.00 0.07 0.00 0.00 59.98 60.06 3mfr h ARG 255 Cb 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3mfr h ARG 255 CO -0.12 0.76 -0.73 0.52 -1.07 0.00 0.00 179.97 179.33 3mfr h MET 256 N 0.32 0.00 -0.72 0.04 2.86 -0.63 -2.45 114.93 114.35 3mfr h MET 256 Ca 0.02 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.38 3mfr h MET 256 Cb 0.90 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 32.39 3mfr h MET 256 CO 0.07 0.73 0.31 1.28 1.06 0.00 0.00 176.91 180.36 3mfr n LEU 257 N -3.45 5.85 -4.74 1.22 4.77 -0.21 -3.82 117.00 116.62 3mfr n LEU 257 Ca 0.00 -3.40 -0.41 0.00 -0.03 0.00 0.00 56.01 52.17 3mfr n LEU 257 Cb 0.77 -0.74 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3mfr n LEU 257 CO 0.43 0.93 1.09 -0.32 -1.33 0.00 0.00 177.39 178.19 3mfr s MET 258 N -3.11 4.29 0.03 3.23 1.75 -1.00 -4.94 119.30 119.55 3mfr s MET 258 Ca 0.53 2.25 -0.26 0.00 -1.25 0.00 0.00 55.69 56.96 3mfr s MET 258 Cb 0.44 -3.13 -0.17 0.00 2.84 0.00 0.00 34.83 34.81 3mfr s MET 258 CO 0.11 -0.40 1.39 1.25 -0.65 0.00 0.00 175.02 176.72 3mfr h LEU 259 N 5.25 -0.35 -9.00 4.11 6.46 -1.92 -3.41 115.31 116.46 3mfr h LEU 259 Ca -0.45 -0.13 -0.57 0.00 -0.12 0.00 0.00 57.88 56.61 3mfr h LEU 259 Cb 1.22 0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 41.20 3mfr h LEU 259 CO 0.79 -0.07 1.01 -0.62 -0.62 0.00 0.00 178.44 178.93 3mfr s ASP 260 N -5.00 6.61 0.57 1.25 -1.08 -1.26 -4.80 116.67 112.96 3mfr s ASP 260 Ca -0.15 1.38 0.26 0.00 -0.52 0.00 0.00 52.55 53.52 3mfr s ASP 260 Cb 0.03 -2.54 1.63 0.00 -1.46 0.00 0.00 42.92 40.58 3mfr s ASP 260 CO 0.58 -1.10 2.18 1.55 0.52 0.00 0.00 175.17 178.90 3mfr h PRO 261 N 9.63 0.00 0.00 4.34 0.13 -1.97 -0.16 132.00 143.98 3mfr h PRO 261 Ca -0.29 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.79 3mfr h PRO 261 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3mfr h PRO 261 CO 1.02 0.00 -0.24 0.00 -0.23 0.00 0.00 178.00 178.55 3mfr h ALA 262 N 1.93 1.02 -0.01 -0.56 0.00 -1.94 -3.11 119.26 116.59 3mfr h ALA 262 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3mfr h ALA 262 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3mfr h ALA 262 CO -0.00 0.30 -0.43 0.39 0.00 0.00 0.00 179.25 179.51 3mfr n GLU 263 N -3.41 1.38 -2.02 0.00 -0.58 -0.13 -4.97 120.64 110.91 3mfr n GLU 263 Ca 0.00 -0.91 -0.39 0.00 -0.42 0.00 0.00 57.16 55.44 3mfr n GLU 263 Cb 0.44 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 3mfr n GLU 263 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 3mfr s ARG 264 N -2.27 3.82 0.41 3.49 3.52 -0.83 -4.97 118.95 122.12 3mfr s ARG 264 Ca 0.16 2.15 -0.27 0.00 -0.13 0.00 0.00 55.73 57.65 3mfr s ARG 264 Cb 0.16 -2.65 -0.10 0.00 -1.56 0.00 0.00 34.95 30.80 3mfr s ARG 264 CO 0.51 -0.61 1.45 -1.50 -0.81 0.00 0.00 175.30 174.34 3mfr s ILE 265 N -1.29 2.12 0.75 4.11 2.07 -0.92 -5.02 121.20 123.01 3mfr s ILE 265 Ca 0.60 0.11 -0.08 0.00 -1.41 0.00 0.00 60.65 59.86 3mfr s ILE 265 Cb -0.38 -3.07 0.08 0.00 0.13 0.00 0.00 42.46 39.22 3mfr s ILE 265 CO 0.48 0.02 1.08 0.42 -1.91 0.00 0.00 174.94 175.03 3mfr s THR 266 N -1.16 2.18 0.19 4.00 -4.23 -1.26 -4.87 115.64 110.49 3mfr s THR 266 Ca 0.56 -0.20 -0.10 0.00 -1.18 0.00 0.00 61.69 60.77 3mfr s THR 266 Cb -0.45 -2.98 0.12 0.00 1.34 0.00 0.00 72.50 70.53 3mfr s THR 266 CO 0.59 0.00 1.76 0.58 -0.54 0.00 0.00 174.62 177.01 3mfr h VAL 267 N -0.79 1.24 -0.60 2.29 2.07 -1.95 0.23 116.25 118.75 3mfr h VAL 267 Ca -0.44 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 3mfr h VAL 267 Cb 1.31 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3mfr h VAL 267 CO 0.59 0.30 0.32 1.88 0.02 0.00 0.00 177.57 180.68 3mfr h TYR 268 N 0.99 0.83 -0.36 1.57 -1.99 -1.94 -1.28 116.97 114.79 3mfr h TYR 268 Ca 0.23 -0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.84 3mfr h TYR 268 Cb 0.20 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.66 3mfr h TYR 268 CO 0.01 0.61 -0.15 0.93 -0.00 0.00 0.00 178.16 179.56 3mfr h GLU 269 N 0.81 0.73 -0.12 4.88 5.08 -1.87 -2.84 114.58 121.26 3mfr h GLU 269 Ca 0.21 -0.31 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3mfr h GLU 269 Cb 0.06 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3mfr h GLU 269 CO -0.03 0.92 -0.03 0.00 -1.00 0.00 0.00 179.01 178.87 3mfr h ALA 270 N 0.79 0.07 -0.18 3.43 0.00 -0.82 -1.03 119.26 121.52 3mfr h ALA 270 Ca 0.08 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3mfr h ALA 270 Cb 0.69 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3mfr h ALA 270 CO 0.05 -0.49 0.31 -0.07 0.00 0.00 0.00 179.25 179.05 3mfr h LEU 271 N -0.00 0.00 -0.38 0.00 3.38 -1.21 0.19 115.31 117.28 3mfr h LEU 271 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3mfr h LEU 271 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3mfr h LEU 271 CO -0.12 0.00 -0.38 -3.20 0.09 0.00 0.00 178.44 174.83 3mfr n ASN 272 N -3.40 0.98 -4.75 -0.43 5.15 -0.45 -3.83 115.26 108.52 3mfr n ASN 272 Ca 0.02 -0.78 -0.41 0.00 -0.60 0.00 0.00 54.58 52.81 3mfr n ASN 272 Cb 0.42 0.24 -0.03 0.00 -0.53 0.00 0.00 39.78 39.89 3mfr n ASN 272 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3mfr s HIS 273 N -2.66 3.20 0.53 1.20 2.46 0.66 -4.69 115.29 115.99 3mfr s HIS 273 Ca 0.19 1.32 0.25 0.00 0.47 0.00 0.00 55.06 57.30 3mfr s HIS 273 Cb 0.18 -3.62 1.40 0.00 -0.13 0.00 0.00 32.58 30.42 3mfr s HIS 273 CO 0.59 -1.81 1.99 -1.35 -2.47 0.00 0.00 174.74 171.69 3mfr h PRO 274 N 4.49 0.00 0.00 2.88 0.11 -1.92 0.33 132.00 137.89 3mfr h PRO 274 Ca -0.46 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 3mfr h PRO 274 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3mfr h PRO 274 CO 0.72 0.00 -0.32 2.35 -0.21 0.00 0.00 178.00 180.54 3mfr h TRP 275 N 0.00 0.00 0.01 0.65 7.01 -1.87 0.39 115.95 122.13 3mfr h TRP 275 Ca 0.25 0.00 -0.40 0.00 2.11 0.00 0.00 58.89 60.85 3mfr h TRP 275 Cb 1.02 0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 28.02 3mfr h TRP 275 CO 0.00 0.32 -2.23 1.28 -2.79 0.00 0.00 178.44 175.02 3mfr n LEU 276 N -3.73 2.16 -0.19 0.65 4.77 -0.14 -3.86 117.00 116.65 3mfr n LEU 276 Ca -0.01 0.27 -0.09 0.00 -0.03 0.00 0.00 56.01 56.15 3mfr n LEU 276 Cb 0.42 -0.89 0.02 0.00 -2.33 0.00 0.00 43.42 40.64 3mfr n LEU 276 CO 0.36 0.60 0.89 0.50 -1.33 0.00 0.00 177.39 178.41 3mfr h LYS 277 N -0.75 0.89 -2.19 3.23 1.63 -0.48 -3.31 116.57 115.59 3mfr h LYS 277 Ca -0.59 -0.22 -0.56 0.00 -0.85 0.00 0.00 60.65 58.43 3mfr h LYS 277 Cb 1.63 -0.11 -0.41 0.00 -0.60 0.00 0.00 32.23 32.73 3mfr h LYS 277 CO -0.29 0.84 -0.81 0.39 -3.45 0.00 0.00 179.45 176.14 3mfr n GLU 278 N -4.39 2.44 0.25 1.90 1.02 0.12 -4.93 120.64 117.05 3mfr n GLU 278 Ca 0.02 -4.37 0.08 0.00 -0.02 0.00 0.00 57.16 52.87 3mfr n GLU 278 Cb 0.24 -2.05 0.61 0.00 -0.02 0.00 0.00 31.44 30.22 3mfr n GLU 278 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 3mfr h ARG 279 N 3.15 0.00 -0.67 3.49 0.11 -1.65 -1.25 114.38 117.56 3mfr h ARG 279 Ca 0.13 0.00 0.04 0.00 0.10 0.00 0.00 59.98 60.25 3mfr h ARG 279 Cb 0.66 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.70 3mfr h ARG 279 CO 0.72 0.08 0.44 -0.44 0.10 0.00 0.00 179.97 180.87 3mfr h ASP 280 N 0.00 0.67 0.17 0.08 3.32 -1.90 -0.55 116.42 118.20 3mfr h ASP 280 Ca -0.00 -0.01 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 3mfr h ASP 280 Cb 0.15 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3mfr h ASP 280 CO 0.01 0.45 -2.04 -1.14 -1.72 0.00 0.00 179.24 174.80 3mfr n ARG 281 N -4.46 0.72 -0.04 3.56 0.63 -0.77 -4.71 116.66 111.58 3mfr n ARG 281 Ca 0.09 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 3mfr n ARG 281 Cb 0.15 -1.69 -0.11 0.00 0.45 0.00 0.00 32.46 31.27 3mfr n ARG 281 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3mfr n TYR 282 N -3.33 0.00 -3.02 -0.14 4.02 -0.54 -4.93 117.16 109.21 3mfr n TYR 282 Ca -0.31 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.18 3mfr n TYR 282 Cb 1.05 -0.52 -0.05 0.00 -0.02 0.00 0.00 39.34 39.80 3mfr n TYR 282 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3mfr s ALA 283 N -2.68 3.34 0.75 -0.72 0.00 -0.22 -4.80 121.76 117.43 3mfr s ALA 283 Ca -0.06 0.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.90 3mfr s ALA 283 Cb 0.07 -2.99 0.05 0.00 0.00 0.00 0.00 23.12 20.25 3mfr s ALA 283 CO 0.59 -0.14 1.17 0.71 0.00 0.00 0.00 175.76 178.09 3mfr s TYR 284 N 0.88 2.15 -0.54 0.00 4.12 -1.26 -4.64 117.35 118.06 3mfr s TYR 284 Ca 0.38 1.62 0.05 0.00 0.02 0.00 0.00 57.07 59.14 3mfr s TYR 284 Cb -0.18 -3.35 0.10 0.00 -1.52 0.00 0.00 41.96 37.01 3mfr s TYR 284 CO 0.18 -2.38 0.93 1.63 0.02 0.00 0.00 175.55 175.94 3mfr n LYS 285 N -2.94 1.60 -2.77 -0.62 5.02 -1.26 -2.53 118.16 114.67 3mfr n LYS 285 Ca 0.12 -1.37 -0.37 0.00 -2.02 0.00 0.00 58.31 54.67 3mfr n LYS 285 Cb 0.51 -1.12 -0.06 0.00 -0.02 0.00 0.00 35.03 34.34 3mfr n LYS 285 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3mfr s ILE 286 N -0.77 4.17 0.41 -0.18 -4.36 -1.26 -4.83 121.20 114.37 3mfr s ILE 286 Ca 0.09 1.85 -0.26 0.00 -0.26 0.00 0.00 60.65 62.07 3mfr s ILE 286 Cb 0.05 -4.05 -0.10 0.00 1.25 0.00 0.00 42.46 39.62 3mfr s ILE 286 CO 0.07 0.19 1.25 1.57 0.24 0.00 0.00 174.94 178.26 3mfr n HIS 287 N 0.68 2.06 -3.46 1.37 -0.00 -1.26 -4.17 115.22 110.44 3mfr n HIS 287 Ca 0.01 0.51 -0.31 0.00 -0.00 0.00 0.00 57.72 57.94 3mfr n HIS 287 Cb 0.50 -2.37 -0.07 0.00 -0.00 0.00 0.00 29.99 28.05 3mfr n HIS 287 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3mfr n LEU 288 N 0.31 4.18 0.24 0.27 4.77 0.26 -4.93 117.00 122.09 3mfr n LEU 288 Ca 0.07 -5.32 0.11 0.00 -0.03 0.00 0.00 56.01 50.84 3mfr n LEU 288 Cb 0.39 -0.86 0.58 0.00 -2.33 0.00 0.00 43.42 41.20 3mfr n LEU 288 CO 0.59 1.87 0.88 1.55 -1.33 0.00 0.00 177.39 180.95 3mfr h PRO 289 N 4.88 0.00 -0.32 3.23 0.13 -1.93 -1.37 132.00 136.62 3mfr h PRO 289 Ca 0.19 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.20 3mfr h PRO 289 Cb 0.69 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 3mfr h PRO 289 CO 0.91 0.18 -0.25 0.93 -0.23 0.00 0.00 178.00 179.54 3mfr h GLU 290 N 0.00 0.74 0.02 0.86 4.39 -1.91 -1.64 114.58 117.03 3mfr h GLU 290 Ca -0.00 -0.36 -0.00 0.00 0.34 0.00 0.00 59.36 59.33 3mfr h GLU 290 Cb 0.57 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3mfr h GLU 290 CO 0.02 0.98 -0.01 1.15 -1.16 0.00 0.00 179.01 179.99 3mfr h THR 291 N 0.51 1.05 -0.71 1.13 2.02 -1.70 -1.79 112.91 113.41 3mfr h THR 291 Ca 0.06 -0.21 0.12 0.00 0.77 0.00 0.00 66.41 67.15 3mfr h THR 291 Cb 0.81 1.19 -0.08 0.00 -1.74 0.00 0.00 68.15 68.32 3mfr h THR 291 CO 0.07 0.05 0.30 0.58 0.37 0.00 0.00 175.52 176.89 3mfr h VAL 292 N -0.12 0.73 -0.60 3.16 2.07 -1.25 0.63 116.25 120.86 3mfr h VAL 292 Ca -0.00 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 3mfr h VAL 292 Cb 0.11 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 3mfr h VAL 292 CO 0.00 0.09 0.03 -0.33 0.02 0.00 0.00 177.57 177.38 3mfr h GLU 293 N 0.47 1.03 -0.44 1.57 4.39 -1.17 0.11 114.58 120.54 3mfr h GLU 293 Ca 0.37 -0.30 -0.11 0.00 0.34 0.00 0.00 59.36 59.66 3mfr h GLU 293 Cb 0.51 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 3mfr h GLU 293 CO -0.35 0.99 -0.15 1.96 -1.16 0.00 0.00 179.01 180.30 3mfr h GLN 294 N 0.95 0.88 -0.88 2.33 1.08 -0.86 -2.62 115.11 116.00 3mfr h GLN 294 Ca 0.18 -0.36 0.06 0.00 -1.45 0.00 0.00 58.65 57.08 3mfr h GLN 294 Cb 0.51 -0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.84 3mfr h GLN 294 CO 0.02 1.00 0.56 -0.07 -0.95 0.00 0.00 178.83 179.39 3mfr h LEU 295 N 0.71 0.89 -0.71 1.46 3.38 -0.72 0.41 115.31 120.72 3mfr h LEU 295 Ca 0.11 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.15 3mfr h LEU 295 Cb 0.70 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 3mfr h LEU 295 CO 0.05 0.58 0.41 -0.09 0.09 0.00 0.00 178.44 179.48 3mfr h ARG 296 N 1.03 0.73 -0.23 1.13 2.43 -0.76 0.38 114.38 119.08 3mfr h ARG 296 Ca 0.38 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.38 3mfr h ARG 296 Cb 0.13 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3mfr h ARG 296 CO -0.16 0.48 -0.32 0.87 -1.51 0.00 0.00 179.97 179.34 3mfr h LYS 297 N 0.75 0.62 -0.27 0.20 1.57 -0.94 -1.81 116.57 116.69 3mfr h LYS 297 Ca 0.31 -0.36 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3mfr h LYS 297 Cb 0.18 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 3mfr h LYS 297 CO -0.18 0.97 -0.13 0.35 -0.57 0.00 0.00 179.45 179.89 3mfr h PHE 298 N 0.31 -0.31 -0.65 -1.35 3.57 0.25 -1.46 116.94 117.30 3mfr h PHE 298 Ca 0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3mfr h PHE 298 Cb 0.90 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 3mfr h PHE 298 CO 0.08 -0.19 0.24 -0.91 -2.23 0.00 0.00 178.31 175.29 3mfr h ASN 299 N -0.09 0.93 -0.54 0.41 2.35 -0.22 -1.62 115.58 116.79 3mfr h ASN 299 Ca 0.14 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 3mfr h ASN 299 Cb 0.30 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3mfr h ASN 299 CO -0.33 0.87 0.13 0.00 -1.65 0.00 0.00 177.43 176.45 3mfr h ALA 300 N 1.10 1.13 -0.41 -0.83 0.00 -1.07 -1.53 119.26 117.65 3mfr h ALA 300 Ca 0.21 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3mfr h ALA 300 Cb 0.25 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3mfr h ALA 300 CO -0.01 0.58 0.10 -0.09 0.00 0.00 0.00 179.25 179.83 3mfr h ARG 301 N 0.88 0.65 -0.52 0.00 2.43 -0.94 -2.16 114.38 114.71 3mfr h ARG 301 Ca 0.19 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3mfr h ARG 301 Cb 0.33 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 3mfr h ARG 301 CO 0.00 0.67 0.30 0.00 -1.51 0.00 0.00 179.97 179.43 3mfr h ARG 302 N 0.52 0.57 0.00 0.20 3.08 -0.89 -2.18 114.38 115.68 3mfr h ARG 302 Ca 0.13 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 3mfr h ARG 302 Cb 0.31 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3mfr h ARG 302 CO 0.00 0.38 -0.47 -0.22 -1.07 0.00 0.00 179.97 178.58 3mfr h LYS 303 N 0.59 0.00 0.00 0.04 1.63 -1.23 -1.25 116.57 116.35 3mfr h LYS 303 Ca 0.22 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.90 3mfr h LYS 303 Cb 0.06 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 3mfr h LYS 303 CO -0.12 0.47 -0.57 -0.07 -3.45 0.00 0.00 179.45 175.72 3mfr h LEU 304 N 0.00 0.00 0.00 5.20 3.38 -1.01 -3.37 115.31 119.51 3mfr h LEU 304 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 3mfr h LEU 304 Cb 1.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 3mfr h LEU 304 CO 0.06 0.57 -1.17 1.17 0.09 0.00 0.00 178.44 179.17 3mfr n LYS 305 N -3.72 0.55 0.00 1.13 4.81 -0.85 -5.11 118.16 114.96 3mfr n LYS 305 Ca -0.01 0.57 0.07 0.00 -0.87 0.00 0.00 58.31 58.07 3mfr n LYS 305 Cb 0.60 -1.74 0.44 0.00 0.02 0.00 0.00 35.03 34.35 3mfr n LYS 305 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98