#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mel s ARG 3 N 0.00 0.58 -0.24 4.33 0.52 -1.26 0.58 118.95 123.45 3mel s ARG 3 Ca 0.00 -0.41 -0.10 0.00 -0.52 0.00 0.00 55.73 54.70 3mel s ARG 3 Cb 0.00 -2.06 -0.05 0.00 0.52 0.00 0.00 34.95 33.36 3mel s ARG 3 CO 0.00 -0.67 0.14 0.08 0.02 0.00 0.00 175.30 174.87 3mel s VAL 4 N 1.89 5.14 -0.21 3.52 1.01 -0.55 -0.71 120.40 130.49 3mel s VAL 4 Ca -0.00 0.11 -0.13 0.00 0.00 0.00 0.00 61.98 61.96 3mel s VAL 4 Cb -0.17 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 3mel s VAL 4 CO -0.09 0.34 0.25 -0.22 0.00 0.00 0.00 175.10 175.38 3mel s LEU 5 N 1.16 4.16 -0.14 3.92 2.96 -0.76 -2.22 118.68 127.77 3mel s LEU 5 Ca 0.07 0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 54.25 3mel s LEU 5 Cb -0.14 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 3mel s LEU 5 CO 0.05 0.05 0.00 -0.76 -1.32 0.00 0.00 176.35 174.37 3mel s LEU 6 N 0.93 3.50 -0.13 -0.68 1.02 -0.18 0.04 118.68 123.18 3mel s LEU 6 Ca 0.13 0.01 0.02 0.00 0.02 0.00 0.00 54.13 54.31 3mel s LEU 6 Cb -0.13 -1.84 -0.00 0.00 0.02 0.00 0.00 46.19 44.23 3mel s LEU 6 CO 0.04 0.23 -0.20 -0.69 0.02 0.00 0.00 176.35 175.76 3mel s VAL 7 N -0.02 2.36 0.38 -1.59 1.01 -0.46 -0.04 120.40 122.04 3mel s VAL 7 Ca 0.03 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.18 3mel s VAL 7 Cb -0.13 -1.95 0.06 0.00 0.00 0.00 0.00 36.38 34.36 3mel s VAL 7 CO 0.02 0.54 0.49 0.00 0.00 0.00 0.00 175.10 176.15 3mel n ALA 8 N 3.77 0.78 0.23 5.51 0.00 -0.51 0.48 120.51 130.78 3mel n ALA 8 Ca -0.19 -1.40 0.09 0.00 0.00 0.00 0.00 53.44 51.94 3mel n ALA 8 Cb 0.52 0.41 0.56 0.00 0.00 0.00 0.00 19.45 20.95 3mel n ALA 8 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3mel h GLY 9 N 0.12 0.00 -2.76 0.00 0.00 -1.68 -3.32 103.07 95.42 3mel h GLY 9 Ca -0.19 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.60 3mel h GLY 9 CO 0.27 0.00 -1.88 0.61 0.00 0.00 0.00 176.54 175.54 3mel n GLY 10 N -0.54 -4.22 3.66 4.60 0.00 -0.87 -4.75 105.19 103.08 3mel n GLY 10 Ca -0.02 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 3mel n GLY 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3mel s ASN 11 N -1.09 6.56 0.19 1.61 2.47 -1.26 -4.87 114.94 118.55 3mel s ASN 11 Ca 0.41 2.29 0.14 0.00 0.42 0.00 0.00 52.86 56.12 3mel s ASN 11 Cb -0.14 -2.53 0.72 0.00 -1.45 0.00 0.00 41.25 37.85 3mel s ASN 11 CO 0.79 -1.01 1.42 -2.65 -3.72 0.00 0.00 177.10 171.93 3mel n PRO 12 N 7.32 0.09 0.10 0.43 -0.02 -1.26 -0.34 135.00 141.32 3mel n PRO 12 Ca 0.18 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 62.35 3mel n PRO 12 Cb 0.43 -1.77 0.45 0.00 -0.02 0.00 0.00 33.50 32.58 3mel n PRO 12 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3mel n SER 13 N -1.96 0.63 -2.04 2.55 3.41 -1.26 -2.12 113.62 112.82 3mel n SER 13 Ca -0.01 0.60 -0.23 0.00 -0.26 0.00 0.00 58.87 58.98 3mel n SER 13 Cb 0.04 -0.75 0.10 0.00 -0.26 0.00 0.00 64.21 63.33 3mel n SER 13 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3mel n ASP 14 N -2.13 5.41 -4.82 4.04 8.00 0.54 -4.82 116.55 122.77 3mel n ASP 14 Ca 0.04 -3.35 -0.30 0.00 0.71 0.00 0.00 54.79 51.89 3mel n ASP 14 Cb 0.33 -0.89 -0.06 0.00 -0.02 0.00 0.00 41.12 40.48 3mel n ASP 14 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3mel s TRP 15 N -2.73 3.26 0.39 1.24 0.52 -0.90 -3.11 118.94 117.62 3mel s TRP 15 Ca 0.47 0.10 -0.15 0.00 0.02 0.00 0.00 56.10 56.54 3mel s TRP 15 Cb 0.38 -1.63 -0.08 0.00 -1.15 0.00 0.00 33.47 30.99 3mel s TRP 15 CO 0.04 0.53 0.81 -1.25 0.02 0.00 0.00 176.95 177.11 3mel s PRO 16 N -2.59 3.95 -0.46 4.98 0.05 -1.26 -3.39 135.00 136.29 3mel s PRO 16 Ca 0.31 0.71 -0.46 0.00 0.05 0.00 0.00 61.00 61.61 3mel s PRO 16 Cb -0.12 -2.34 -0.19 0.00 0.05 0.00 0.00 34.50 31.90 3mel s PRO 16 CO 0.24 0.00 1.62 2.41 0.05 0.00 0.00 177.00 181.32 3mel n THR 17 N -0.89 0.05 -4.94 1.26 -1.04 -1.26 -4.91 114.28 102.54 3mel n THR 17 Ca 0.04 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.72 3mel n THR 17 Cb 0.54 -0.61 -0.15 0.00 -1.82 0.00 0.00 70.33 68.28 3mel n THR 17 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3mel s ILE 18 N 3.05 2.73 -0.85 12.58 2.07 -1.26 -5.08 121.20 134.44 3mel s ILE 18 Ca 1.04 -0.79 -0.11 0.00 -1.41 0.00 0.00 60.65 59.38 3mel s ILE 18 Cb -1.43 -2.10 0.22 0.00 0.13 0.00 0.00 42.46 39.28 3mel s ILE 18 CO 0.79 0.55 0.78 -1.61 -1.91 0.00 0.00 174.94 173.54 3mel s GLU 19 N 0.16 3.54 0.39 3.50 8.01 -1.26 -4.96 118.70 128.07 3mel s GLU 19 Ca -0.09 -2.67 0.20 0.00 0.01 0.00 0.00 54.97 52.42 3mel s GLU 19 Cb -0.16 -4.32 1.16 0.00 -4.31 0.00 0.00 34.13 26.51 3mel s GLU 19 CO 0.06 -1.26 1.71 -1.00 0.01 0.00 0.00 175.26 174.78 3mel h PRO 20 N 7.35 0.32 0.00 0.39 0.13 -1.98 0.67 132.00 138.88 3mel h PRO 20 Ca 0.11 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3mel h PRO 20 Cb 0.98 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3mel h PRO 20 CO 0.80 0.21 0.00 0.00 -0.23 0.00 0.00 178.00 178.78 3mel n ALA 21 N -2.44 1.72 1.02 -0.56 0.00 -1.26 -2.45 120.51 116.54 3mel n ALA 21 Ca 0.29 -0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.81 3mel n ALA 21 Cb 1.02 -1.31 0.26 0.00 0.00 0.00 0.00 19.45 19.42 3mel n ALA 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3mel n THR 22 N -1.79 0.36 -4.60 0.00 -2.24 0.23 -4.83 114.28 101.42 3mel n THR 22 Ca 0.03 -0.42 -0.29 0.00 -2.27 0.00 0.00 64.05 61.10 3mel n THR 22 Cb 0.21 0.31 -0.14 0.00 -2.10 0.00 0.00 70.33 68.61 3mel n THR 22 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3mel s TYR 23 N -1.64 2.31 -1.55 4.78 2.02 -1.03 -4.64 117.35 117.60 3mel s TYR 23 Ca 0.28 -0.39 0.13 0.00 -0.37 0.00 0.00 57.07 56.72 3mel s TYR 23 Cb 0.15 -1.30 0.09 0.00 -0.40 0.00 0.00 41.96 40.49 3mel s TYR 23 CO 0.21 0.25 0.88 -0.25 -1.57 0.00 0.00 175.55 175.07 3mel n ASP 24 N 1.27 1.97 -3.64 2.29 8.00 0.12 -4.98 116.55 121.57 3mel n ASP 24 Ca -0.18 -1.48 -0.09 0.00 0.71 0.00 0.00 54.79 53.75 3mel n ASP 24 Cb 0.53 0.08 -0.07 0.00 -0.02 0.00 0.00 41.12 41.64 3mel n ASP 24 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3mel s TYR 25 N -1.17 -0.74 -0.20 1.24 5.04 -1.24 -5.02 117.35 115.25 3mel s TYR 25 Ca 0.14 1.63 0.01 0.00 -2.44 0.00 0.00 57.07 56.42 3mel s TYR 25 Cb 0.11 0.41 0.04 0.00 0.35 0.00 0.00 41.96 42.86 3mel s TYR 25 CO 0.19 -0.36 -0.15 -0.06 -1.34 0.00 0.00 175.55 173.82 3mel s PHE 26 N 0.86 2.82 -0.12 4.97 0.08 -1.26 -1.82 117.98 123.51 3mel s PHE 26 Ca -0.04 -1.80 -0.06 0.00 0.12 0.00 0.00 56.93 55.15 3mel s PHE 26 Cb -0.05 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.51 3mel s PHE 26 CO -0.10 -0.81 0.11 0.08 -0.10 0.00 0.00 175.22 174.41 3mel s VAL 27 N 1.27 5.25 -0.13 -0.44 1.01 0.11 -1.96 120.40 125.50 3mel s VAL 27 Ca -0.00 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.10 3mel s VAL 27 Cb -0.16 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 3mel s VAL 27 CO -0.10 0.60 -0.15 -0.83 0.00 0.00 0.00 175.10 174.62 3mel s GLY 28 N -0.87 1.49 -0.26 4.51 0.00 0.11 -1.36 107.32 110.94 3mel s GLY 28 Ca 0.14 -0.94 -0.09 0.00 0.00 0.00 0.00 44.72 43.84 3mel s GLY 28 CO 0.03 -0.16 0.11 -0.42 0.00 0.00 0.00 173.10 172.66 3mel s ILE 29 N 0.46 4.64 0.00 0.90 1.01 0.18 -0.94 121.20 127.44 3mel s ILE 29 Ca -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.46 3mel s ILE 29 Cb -0.16 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.11 3mel s ILE 29 CO 0.05 0.29 0.00 0.47 0.00 0.00 0.00 174.94 175.75 3mel n ASP 30 N 4.97 0.00 0.25 3.58 9.92 -0.51 0.20 116.55 134.96 3mel n ASP 30 Ca -0.15 0.00 0.17 0.00 -0.53 0.00 0.00 54.79 54.28 3mel n ASP 30 Cb 0.51 0.00 0.88 0.00 -0.64 0.00 0.00 41.12 41.88 3mel n ASP 30 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3mel h ARG 31 N 0.00 0.00 -0.84 -1.24 2.43 -1.92 -1.38 114.38 111.44 3mel h ARG 31 Ca 0.00 0.00 0.18 0.00 -0.81 0.00 0.00 59.98 59.35 3mel h ARG 31 Cb 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 3mel h ARG 31 CO 0.00 0.00 0.56 0.78 -1.51 0.00 0.00 179.97 179.80 3mel h GLY 32 N 0.00 0.81 0.58 2.80 0.00 0.22 0.20 103.07 107.68 3mel h GLY 32 Ca 0.05 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.24 3mel h GLY 32 CO -0.00 0.03 0.06 0.00 0.00 0.00 0.00 176.54 176.63 3mel h LEU 34 N 0.17 0.94 -1.28 0.00 3.38 -1.14 -2.36 115.31 115.01 3mel h LEU 34 Ca 0.16 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3mel h LEU 34 Cb 0.18 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3mel h LEU 34 CO -0.22 0.91 -0.00 0.45 0.09 0.00 0.00 178.44 179.67 3mel h HIS 35 N 0.95 0.49 0.30 1.13 3.86 -0.79 0.86 115.15 121.96 3mel h HIS 35 Ca 0.20 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 3mel h HIS 35 Cb 0.34 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.67 3mel h HIS 35 CO 0.02 0.49 -0.15 -0.07 0.86 0.00 0.00 177.93 179.09 3mel h LEU 36 N 0.46 -0.35 -0.56 2.43 3.38 -0.90 -1.31 115.31 118.47 3mel h LEU 36 Ca 0.10 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.19 3mel h LEU 36 Cb 0.31 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.04 3mel h LEU 36 CO 0.01 -0.20 -0.12 -0.07 0.09 0.00 0.00 178.44 178.14 3mel h LEU 37 N -0.49 -0.48 -2.00 1.67 3.38 -1.31 0.44 115.31 116.51 3mel h LEU 37 Ca -0.04 0.16 0.14 0.00 0.09 0.00 0.00 57.88 58.24 3mel h LEU 37 Cb 0.31 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3mel h LEU 37 CO 0.07 -0.17 0.44 -0.08 0.09 0.00 0.00 178.44 178.78 3mel h GLU 38 N 0.01 0.00 -0.31 1.13 4.81 0.73 -0.41 114.58 120.54 3mel h GLU 38 Ca 0.27 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 3mel h GLU 38 Cb 0.42 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.74 3mel h GLU 38 CO -0.56 0.00 -0.02 0.00 -0.73 0.00 0.00 179.01 177.70 3mel n ALA 39 N -2.47 3.63 -2.60 2.92 0.00 0.14 -4.96 120.51 117.17 3mel n ALA 39 Ca 0.09 -2.73 -0.20 0.00 0.00 0.00 0.00 53.44 50.61 3mel n ALA 39 Cb 0.65 -0.73 0.01 0.00 0.00 0.00 0.00 19.45 19.37 3mel n ALA 39 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3mel n ASP 40 N -0.86 -5.72 -4.71 0.00 8.00 -0.16 -4.98 116.55 108.11 3mel n ASP 40 Ca 0.28 -0.12 -0.27 0.00 0.71 0.00 0.00 54.79 55.39 3mel n ASP 40 Cb 0.97 -4.67 -0.07 0.00 -0.02 0.00 0.00 41.12 37.33 3mel n ASP 40 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3mel s LEU 41 N -5.89 3.50 0.54 0.64 1.43 -0.64 -5.01 118.68 113.25 3mel s LEU 41 Ca 0.11 -0.27 -0.22 0.00 -1.03 0.00 0.00 54.13 52.73 3mel s LEU 41 Cb -0.05 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 3mel s LEU 41 CO 0.14 0.10 1.33 -2.84 0.23 0.00 0.00 176.35 175.31 3mel s PRO 42 N -2.86 3.21 -0.22 1.29 0.02 -1.26 -3.87 135.00 131.30 3mel s PRO 42 Ca 0.28 2.17 0.01 0.00 0.02 0.00 0.00 61.00 63.48 3mel s PRO 42 Cb -0.10 -2.26 0.04 0.00 0.02 0.00 0.00 34.50 32.19 3mel s PRO 42 CO 0.20 -1.12 -0.14 -1.17 -0.33 0.00 0.00 177.00 174.44 3mel s LEU 43 N -3.48 2.81 -0.07 -5.54 2.96 -1.26 -4.70 118.68 109.39 3mel s LEU 43 Ca 0.71 -0.96 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 3mel s LEU 43 Cb -0.39 -1.54 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 3mel s LEU 43 CO 0.46 -0.09 -0.05 0.00 -1.32 0.00 0.00 176.35 175.34 3mel n GLN 44 N 4.56 0.64 -4.42 1.98 6.02 -0.83 -3.60 117.38 121.73 3mel n GLN 44 Ca -0.18 0.04 -0.28 0.00 -0.01 0.00 0.00 57.00 56.56 3mel n GLN 44 Cb 0.47 -1.15 -0.17 0.00 1.02 0.00 0.00 30.24 30.41 3mel n GLN 44 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3mel s LEU 45 N -5.27 1.71 -0.17 1.08 2.96 -1.15 -0.55 118.68 117.28 3mel s LEU 45 Ca -0.09 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.37 3mel s LEU 45 Cb 0.02 -1.09 -0.01 0.00 0.50 0.00 0.00 46.19 45.62 3mel s LEU 45 CO 0.18 0.01 -0.08 0.00 -1.32 0.00 0.00 176.35 175.13 3mel s ALA 46 N 1.03 2.74 0.01 5.97 0.00 0.87 -0.71 121.76 131.66 3mel s ALA 46 Ca -0.06 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 50.92 3mel s ALA 46 Cb -0.15 -1.47 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 3mel s ALA 46 CO -0.02 -0.08 -0.12 0.08 0.00 0.00 0.00 175.76 175.62 3mel s VAL 47 N 0.89 0.91 -5.00 0.00 1.01 -0.12 -0.63 120.40 117.46 3mel s VAL 47 Ca -0.02 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3mel s VAL 47 Cb -0.15 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.43 3mel s VAL 47 CO 0.00 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.81 3mel n GLY 48 N 2.36 0.18 0.08 4.51 0.00 -1.12 -1.43 105.19 109.77 3mel n GLY 48 Ca -0.16 -1.48 -0.04 0.00 0.00 0.00 0.00 46.02 44.34 3mel n GLY 48 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mel n ASP 49 N 0.13 0.13 -0.13 1.61 5.68 -1.26 0.13 116.55 122.84 3mel n ASP 49 Ca 0.00 0.06 -0.02 0.00 -0.50 0.00 0.00 54.79 54.33 3mel n ASP 49 Cb 0.00 1.10 -0.01 0.00 -1.14 0.00 0.00 41.12 41.08 3mel n ASP 49 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3mel n PHE 50 N -2.66 0.00 0.66 2.11 3.72 -1.26 -4.81 117.46 115.22 3mel n PHE 50 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 3mel n PHE 50 Cb 0.98 -1.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.01 3mel n PHE 50 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3mel n ASP 51 N -0.64 0.84 -0.25 4.37 5.75 -1.26 -0.74 116.55 124.61 3mel n ASP 51 Ca -0.02 -1.32 0.03 0.00 -0.01 0.00 0.00 54.79 53.47 3mel n ASP 51 Cb 0.36 -0.33 0.04 0.00 -1.03 0.00 0.00 41.12 40.16 3mel n ASP 51 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3mel n SER 52 N 0.24 1.84 -4.68 -1.12 3.41 -1.26 -5.03 113.62 107.02 3mel n SER 52 Ca 0.00 -1.53 -0.32 0.00 -0.26 0.00 0.00 58.87 56.76 3mel n SER 52 Cb 0.19 -0.04 -0.09 0.00 -0.26 0.00 0.00 64.21 64.01 3mel n SER 52 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mel s LEU 53 N -0.67 3.49 0.45 1.04 1.02 0.08 -4.96 118.68 119.13 3mel s LEU 53 Ca 0.08 -0.06 -0.19 0.00 0.02 0.00 0.00 54.13 53.98 3mel s LEU 53 Cb 0.05 -2.07 -0.10 0.00 0.02 0.00 0.00 46.19 44.09 3mel s LEU 53 CO 0.07 0.25 0.95 -0.94 0.02 0.00 0.00 176.35 176.69 3mel s SER 54 N -1.79 6.83 0.22 2.29 1.04 -1.26 -4.81 113.70 116.22 3mel s SER 54 Ca 0.21 1.62 -0.09 0.00 0.48 0.00 0.00 55.95 58.17 3mel s SER 54 Cb -0.12 -2.52 0.18 0.00 0.10 0.00 0.00 66.02 63.66 3mel s SER 54 CO 0.13 -0.42 1.89 0.03 0.98 0.00 0.00 173.24 175.85 3mel h ARG 55 N 1.62 1.05 -1.01 4.02 2.47 -1.98 0.62 114.38 121.18 3mel h ARG 55 Ca -0.48 -0.06 0.23 0.00 -1.26 0.00 0.00 59.98 58.41 3mel h ARG 55 Cb 1.18 -0.24 -0.11 0.00 -1.65 0.00 0.00 29.97 29.15 3mel h ARG 55 CO 0.61 0.70 0.61 1.49 0.56 0.00 0.00 179.97 183.94 3mel h GLU 56 N 1.09 0.58 -0.23 0.04 4.81 -1.99 0.26 114.58 119.14 3mel h GLU 56 Ca 0.29 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.29 3mel h GLU 56 Cb -0.12 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.13 3mel h GLU 56 CO -0.06 0.38 -0.63 0.93 -0.73 0.00 0.00 179.01 178.90 3mel h GLU 57 N 0.59 0.82 0.00 1.92 5.08 -0.26 -1.91 114.58 120.83 3mel h GLU 57 Ca 0.62 -0.59 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3mel h GLU 57 Cb 1.19 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 3mel h GLU 57 CO -0.41 1.21 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.80 3mel h TYR 58 N 0.58 0.00 0.02 4.33 3.20 0.37 -0.44 116.97 125.02 3mel h TYR 58 Ca -0.01 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 3mel h TYR 58 Cb 1.25 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.52 3mel h TYR 58 CO 0.08 0.09 -0.01 1.25 -1.64 0.00 0.00 178.16 177.93 3mel h HIS 59 N 0.00 -0.02 0.07 -3.82 2.76 -0.47 -2.57 115.15 111.10 3mel h HIS 59 Ca -0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3mel h HIS 59 Cb 0.74 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.70 3mel h HIS 59 CO 0.00 0.59 -0.07 0.35 -1.30 0.00 0.00 177.93 177.49 3mel h PHE 60 N -0.65 -0.19 0.20 5.26 3.57 -1.15 -1.37 116.94 122.61 3mel h PHE 60 Ca -0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.50 3mel h PHE 60 Cb 0.62 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 3mel h PHE 60 CO 0.14 -0.12 -0.22 0.28 -2.23 0.00 0.00 178.31 176.16 3mel h VAL 61 N -0.17 0.52 0.00 1.41 2.07 -1.22 -2.05 116.25 116.82 3mel h VAL 61 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3mel h VAL 61 Cb 0.16 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3mel h VAL 61 CO -0.03 0.00 0.00 0.06 0.02 0.00 0.00 177.57 177.62 3mel h GLN 62 N -0.46 0.00 0.03 1.57 3.07 -1.16 -1.88 115.11 116.28 3mel h GLN 62 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.50 3mel h GLN 62 Cb 0.44 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.98 3mel h GLN 62 CO -0.06 0.00 -1.28 1.49 0.09 0.00 0.00 178.83 179.06 3mel h GLU 63 N 0.00 0.07 -0.05 0.06 4.57 -0.86 -3.39 114.58 114.98 3mel h GLU 63 Ca 0.00 -0.13 -0.15 0.00 -1.18 0.00 0.00 59.36 57.90 3mel h GLU 63 Cb 0.10 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 3mel h GLU 63 CO 0.00 1.06 -0.64 1.15 -1.18 0.00 0.00 179.01 179.40 3mel h THR 64 N -0.75 1.41 -4.18 0.32 2.02 -0.88 -3.45 112.91 107.40 3mel h THR 64 Ca -0.32 -2.10 -0.54 0.00 0.77 0.00 0.00 66.41 64.22 3mel h THR 64 Cb 1.45 2.09 0.16 0.00 -1.74 0.00 0.00 68.15 70.12 3mel h THR 64 CO -0.11 0.61 0.39 0.28 0.37 0.00 0.00 175.52 177.06 3mel s THR 65 N -3.65 2.23 -0.13 3.16 -1.32 -0.75 -4.84 115.64 110.33 3mel s THR 65 Ca -0.03 0.11 0.19 0.00 -1.21 0.00 0.00 61.69 60.75 3mel s THR 65 Cb 0.12 -2.67 -0.20 0.00 -1.51 0.00 0.00 72.50 68.24 3mel s THR 65 CO 0.79 -0.06 0.60 -0.62 -2.21 0.00 0.00 174.62 173.12 3mel n GLU 66 N -2.81 0.64 -3.90 7.08 1.02 -1.11 -4.91 120.64 116.65 3mel n GLU 66 Ca 0.14 0.05 -0.14 0.00 -0.02 0.00 0.00 57.16 57.18 3mel n GLU 66 Cb 0.50 -1.67 -0.15 0.00 -0.02 0.00 0.00 31.44 30.10 3mel n GLU 66 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3mel s THR 67 N -3.05 0.08 -0.14 2.62 2.01 0.28 -5.00 115.64 112.42 3mel s THR 67 Ca -0.05 0.02 0.01 0.00 0.31 0.00 0.00 61.69 61.98 3mel s THR 67 Cb 0.10 -0.11 0.02 0.00 0.01 0.00 0.00 72.50 72.51 3mel s THR 67 CO 0.84 0.06 -0.18 -0.22 -0.69 0.00 0.00 174.62 174.43 3mel s LEU 68 N 0.35 1.91 -0.61 4.42 2.96 -1.26 -0.09 118.68 126.36 3mel s LEU 68 Ca -0.03 -0.54 -0.06 0.00 -0.22 0.00 0.00 54.13 53.28 3mel s LEU 68 Cb -0.05 -1.30 0.16 0.00 0.50 0.00 0.00 46.19 45.50 3mel s LEU 68 CO -0.01 0.01 0.45 -0.63 -1.32 0.00 0.00 176.35 174.85 3mel s ILE 69 N 1.13 4.05 -0.08 6.68 1.01 0.20 -4.97 121.20 129.22 3mel s ILE 69 Ca -0.01 -2.58 -0.30 0.00 0.00 0.00 0.00 60.65 57.76 3mel s ILE 69 Cb -0.14 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 3mel s ILE 69 CO -0.06 -0.86 1.16 -1.58 0.00 0.00 0.00 174.94 173.59 3mel s GLN 70 N 0.35 4.36 0.22 2.79 -0.44 -1.26 -2.81 119.66 122.86 3mel s GLN 70 Ca 0.14 1.61 0.06 0.00 -2.50 0.00 0.00 55.36 54.67 3mel s GLN 70 Cb -0.20 -3.57 -0.04 0.00 -1.64 0.00 0.00 33.01 27.57 3mel s GLN 70 CO -0.04 -0.44 0.21 0.00 0.50 0.00 0.00 175.29 175.52 3mel s ALA 71 N 2.27 3.66 1.26 1.58 0.00 0.35 -4.97 121.76 125.91 3mel s ALA 71 Ca 0.54 -1.30 -0.17 0.00 0.00 0.00 0.00 51.96 51.03 3mel s ALA 71 Cb -0.23 -1.42 0.31 0.00 0.00 0.00 0.00 23.12 21.78 3mel s ALA 71 CO 0.20 0.35 1.00 -2.14 0.00 0.00 0.00 175.76 175.17 3mel s PRO 72 N -3.59 -1.64 -0.08 0.00 0.02 -1.26 -4.17 135.00 124.28 3mel s PRO 72 Ca 0.33 0.47 -0.00 0.00 0.02 0.00 0.00 61.00 61.81 3mel s PRO 72 Cb -0.09 -1.50 -0.25 0.00 0.02 0.00 0.00 34.50 32.68 3mel s PRO 72 CO 0.25 -4.11 0.52 0.00 -0.33 0.00 0.00 177.00 173.33 3mel h ALA 73 N -2.88 0.53 -2.41 -1.55 0.00 -1.96 -3.41 119.26 107.56 3mel h ALA 73 Ca -0.54 -1.39 -0.68 0.00 0.00 0.00 0.00 54.91 52.30 3mel h ALA 73 Cb 1.34 0.59 -0.18 0.00 0.00 0.00 0.00 17.79 19.54 3mel h ALA 73 CO 0.42 1.38 -0.21 -1.21 0.00 0.00 0.00 179.25 179.64 3mel s GLU 74 N -2.58 3.21 0.22 0.00 8.01 -1.26 -5.03 118.70 121.28 3mel s GLU 74 Ca -0.15 -0.66 -0.20 0.00 0.01 0.00 0.00 54.97 53.97 3mel s GLU 74 Cb 0.07 -3.93 0.04 0.00 -4.31 0.00 0.00 34.13 26.00 3mel s GLU 74 CO 0.80 -0.79 0.63 -1.59 0.01 0.00 0.00 175.26 174.32 3mel s LYS 75 N 2.14 1.53 0.01 1.61 -2.85 -1.26 -5.08 119.74 115.84 3mel s LYS 75 Ca 0.13 -0.82 -0.12 0.00 -1.00 0.00 0.00 55.97 54.16 3mel s LYS 75 Cb -0.17 0.58 -0.06 0.00 -2.06 0.00 0.00 37.83 36.11 3mel s LYS 75 CO 0.13 -0.68 0.89 -0.44 0.10 0.00 0.00 175.35 175.35 3mel h ASP 76 N 2.06 -0.36 -4.07 0.03 3.32 -1.99 -3.46 116.42 111.96 3mel h ASP 76 Ca -0.26 0.01 -0.48 0.00 0.02 0.00 0.00 57.03 56.32 3mel h ASP 76 Cb 1.27 0.09 0.04 0.00 0.22 0.00 0.00 39.33 40.95 3mel h ASP 76 CO 0.31 -0.19 0.40 -1.81 -1.72 0.00 0.00 179.24 176.23 3mel s ASP 77 N -3.22 6.19 0.94 6.45 1.01 -1.26 -5.04 116.67 121.74 3mel s ASP 77 Ca -0.06 2.01 -0.13 0.00 0.71 0.00 0.00 52.55 55.09 3mel s ASP 77 Cb 0.01 -2.57 0.15 0.00 1.01 0.00 0.00 42.92 41.52 3mel s ASP 77 CO 0.19 -0.89 1.13 0.28 0.21 0.00 0.00 175.17 176.09 3mel s THR 78 N -1.89 1.99 0.27 -1.27 -1.32 -1.26 -4.90 115.64 107.25 3mel s THR 78 Ca 0.68 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 61.15 3mel s THR 78 Cb -0.19 -2.70 0.12 0.00 -1.51 0.00 0.00 72.50 68.22 3mel s THR 78 CO 0.23 0.00 1.77 0.44 -2.21 0.00 0.00 174.62 174.85 3mel h ASP 79 N -1.61 0.74 0.40 8.08 3.32 -1.96 -2.81 116.42 122.59 3mel h ASP 79 Ca -0.51 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 56.23 3mel h ASP 79 Cb 1.33 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 3mel h ASP 79 CO 0.60 0.80 -0.57 0.74 -1.72 0.00 0.00 179.24 179.09 3mel h THR 80 N 0.73 1.38 0.77 0.35 2.02 -1.93 -1.60 112.91 114.63 3mel h THR 80 Ca 0.15 -1.93 -0.04 0.00 0.77 0.00 0.00 66.41 65.36 3mel h THR 80 Cb 0.43 1.98 0.01 0.00 -1.74 0.00 0.00 68.15 68.82 3mel h THR 80 CO 0.02 0.56 -0.37 1.56 0.37 0.00 0.00 175.52 177.66 3mel h GLN 81 N 0.13 -0.99 -0.55 6.66 4.20 -1.92 -2.85 115.11 119.79 3mel h GLN 81 Ca -0.00 0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.83 3mel h GLN 81 Cb 1.05 0.23 -0.08 0.00 0.30 0.00 0.00 27.48 28.98 3mel h GLN 81 CO 0.09 -0.64 -0.44 -0.07 -0.67 0.00 0.00 178.83 177.09 3mel h LEU 82 N -1.17 -1.55 -1.57 1.46 4.07 -1.40 0.17 115.31 115.33 3mel h LEU 82 Ca -0.11 0.22 0.31 0.00 0.08 0.00 0.00 57.88 58.38 3mel h LEU 82 Cb 0.81 0.66 -0.08 0.00 1.08 0.00 0.00 40.66 43.13 3mel h LEU 82 CO 0.17 -0.24 0.74 0.00 -1.08 0.00 0.00 178.44 178.04 3mel h ALA 83 N -0.09 2.56 -0.07 1.53 0.00 -1.35 0.22 119.26 122.06 3mel h ALA 83 Ca 0.09 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 3mel h ALA 83 Cb 0.38 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3mel h ALA 83 CO -0.59 -0.97 -0.72 1.25 0.00 0.00 0.00 179.25 178.22 3mel h LEU 84 N 0.24 0.75 -0.52 0.00 5.85 -0.52 -1.28 115.31 119.82 3mel h LEU 84 Ca 0.61 -0.69 0.09 0.00 0.84 0.00 0.00 57.88 58.73 3mel h LEU 84 Cb 1.85 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 42.58 3mel h LEU 84 CO -0.22 1.33 0.11 -0.61 -0.34 0.00 0.00 178.44 178.71 3mel h GLN 85 N 0.23 0.25 -0.08 1.25 5.75 0.14 -1.96 115.11 120.69 3mel h GLN 85 Ca -0.07 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.30 3mel h GLN 85 Cb 1.38 -0.06 0.01 0.00 1.07 0.00 0.00 27.48 29.88 3mel h GLN 85 CO 0.14 0.16 -0.39 0.93 -2.65 0.00 0.00 178.83 177.02 3mel h GLU 86 N 0.25 0.41 -0.66 1.69 4.39 -1.10 -2.49 114.58 117.07 3mel h GLU 86 Ca 0.27 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 3mel h GLU 86 Cb 0.36 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 3mel h GLU 86 CO -0.34 0.97 0.38 0.00 -1.16 0.00 0.00 179.01 178.86 3mel h ALA 87 N 0.45 1.42 -0.21 3.43 0.00 -1.15 -2.09 119.26 121.10 3mel h ALA 87 Ca -0.03 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3mel h ALA 87 Cb 1.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3mel h ALA 87 CO 0.08 0.49 -0.32 -0.07 0.00 0.00 0.00 179.25 179.43 3mel h LEU 88 N 0.92 0.44 -0.60 0.00 3.38 -1.34 0.11 115.31 118.22 3mel h LEU 88 Ca 0.24 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3mel h LEU 88 Cb -0.00 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3mel h LEU 88 CO -0.04 0.74 0.24 -0.61 0.09 0.00 0.00 178.44 178.87 3mel h GLN 89 N 0.37 0.90 -0.00 1.13 4.15 -0.95 0.38 115.11 121.10 3mel h GLN 89 Ca 0.05 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.31 3mel h GLN 89 Cb 0.75 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.29 3mel h GLN 89 CO 0.06 0.76 -0.05 0.54 -1.93 0.00 0.00 178.83 178.21 3mel n ARG 90 N -4.46 0.24 -2.80 1.69 1.74 -0.84 -4.27 116.66 107.96 3mel n ARG 90 Ca 0.04 -0.03 -0.10 0.00 -0.77 0.00 0.00 57.85 56.99 3mel n ARG 90 Cb 0.16 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.14 3mel n ARG 90 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3mel n PHE 91 N -1.36 -2.93 0.17 -1.55 3.72 0.36 -5.02 117.46 110.85 3mel n PHE 91 Ca 0.11 -2.02 0.16 0.00 -0.05 0.00 0.00 57.45 55.64 3mel n PHE 91 Cb 0.29 1.34 0.56 0.00 -0.94 0.00 0.00 39.48 40.74 3mel n PHE 91 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3mel h PRO 92 N 3.86 0.00 0.00 -1.08 0.11 -1.10 -1.12 132.00 132.66 3mel h PRO 92 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3mel h PRO 92 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3mel h PRO 92 CO 0.32 0.00 -0.06 1.04 -0.21 0.00 0.00 178.00 179.09 3mel n GLN 93 N -3.10 1.50 -2.27 1.05 1.13 -1.26 -5.01 117.38 109.42 3mel n GLN 93 Ca 0.06 -1.37 -0.32 0.00 -1.94 0.00 0.00 57.00 53.42 3mel n GLN 93 Cb 0.78 -0.90 -0.02 0.00 0.11 0.00 0.00 30.24 30.21 3mel n GLN 93 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3mel s ALA 94 N -0.96 3.05 1.00 -1.58 0.00 -0.42 -4.94 121.76 117.90 3mel s ALA 94 Ca 0.06 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.17 3mel s ALA 94 Cb 0.05 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.05 3mel s ALA 94 CO 0.01 -0.37 0.00 -1.91 0.00 0.00 0.00 175.76 173.49 3mel n GLU 95 N -1.84 -0.02 0.00 0.00 2.13 0.20 -4.82 120.64 116.28 3mel n GLU 95 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 3mel n GLU 95 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.25 3mel n GLU 95 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3mel n THR 97 N -1.79 0.00 -3.37 6.31 -1.04 -0.94 -1.48 114.28 111.97 3mel n THR 97 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 3mel n THR 97 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 3mel n THR 97 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3mel s ILE 98 N 0.00 5.15 0.17 12.58 1.01 -0.87 -1.01 121.20 138.24 3mel s ILE 98 Ca 0.00 0.90 0.04 0.00 0.00 0.00 0.00 60.65 61.59 3mel s ILE 98 Cb 0.00 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 3mel s ILE 98 CO 0.00 0.39 -0.08 -0.51 0.00 0.00 0.00 174.94 174.74 3mel s ILE 99 N 0.21 1.16 -0.96 2.92 1.10 0.94 -1.62 121.20 124.95 3mel s ILE 99 Ca 0.25 -2.06 -0.05 0.00 -0.51 0.00 0.00 60.65 58.27 3mel s ILE 99 Cb -0.15 -2.00 0.05 0.00 0.15 0.00 0.00 42.46 40.51 3mel s ILE 99 CO 0.11 -0.62 0.24 0.61 -2.11 0.00 0.00 174.94 173.16 3mel n GLY 100 N -0.27 -0.49 0.26 1.50 0.00 -1.26 -1.42 105.19 103.51 3mel n GLY 100 Ca -0.09 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.02 3mel n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mel n ALA 101 N -2.94 2.77 -1.46 4.61 0.00 -1.26 -2.04 120.51 120.18 3mel n ALA 101 Ca -0.04 -0.46 -0.19 0.00 0.00 0.00 0.00 53.44 52.75 3mel n ALA 101 Cb 0.55 -0.35 0.14 0.00 0.00 0.00 0.00 19.45 19.79 3mel n ALA 101 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3mel n THR 102 N -0.11 2.95 0.00 0.00 -2.24 -1.26 -4.41 114.28 109.21 3mel n THR 102 Ca 0.04 -2.81 0.00 0.00 -2.27 0.00 0.00 64.05 59.01 3mel n THR 102 Cb 0.22 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 3mel n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mel n GLY 103 N -1.03 -2.42 0.02 3.38 0.00 -1.26 -5.00 105.19 98.89 3mel n GLY 103 Ca 0.48 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 3mel n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mel n GLY 104 N 1.02 -0.63 3.55 -0.02 0.00 -1.26 -4.92 105.19 102.93 3mel n GLY 104 Ca 0.00 -0.05 -0.52 0.00 0.00 0.00 0.00 46.02 45.44 3mel n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mel n ARG 105 N -2.92 1.25 0.24 1.61 1.74 -1.26 -4.85 116.66 112.47 3mel n ARG 105 Ca -0.02 0.40 0.12 0.00 -0.77 0.00 0.00 57.85 57.58 3mel n ARG 105 Cb 0.08 -2.37 0.52 0.00 -1.02 0.00 0.00 32.46 29.67 3mel n ARG 105 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3mel h ILE 106 N 6.32 0.41 0.00 0.55 2.04 -2.00 -2.55 117.51 122.28 3mel h ILE 106 Ca -0.36 -0.94 -0.08 0.00 1.00 0.00 0.00 64.86 64.49 3mel h ILE 106 Cb 1.31 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 3mel h ILE 106 CO 0.99 0.16 -0.36 -2.24 0.00 0.00 0.00 178.15 176.70 3mel h ASP 107 N 0.00 0.00 0.03 1.72 2.03 -2.00 -2.77 116.42 115.42 3mel h ASP 107 Ca -0.00 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.17 3mel h ASP 107 Cb 0.67 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.16 3mel h ASP 107 CO 0.02 0.36 -0.68 0.45 -1.03 0.00 0.00 179.24 178.37 3mel h HIS 108 N 0.00 0.11 -0.91 4.15 3.86 -1.86 -2.53 115.15 117.96 3mel h HIS 108 Ca -0.00 -0.08 0.26 0.00 -1.16 0.00 0.00 60.37 59.39 3mel h HIS 108 Cb 0.92 -0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.23 3mel h HIS 108 CO 0.00 1.26 0.23 1.25 0.86 0.00 0.00 177.93 181.53 3mel h LEU 109 N -0.85 -0.06 0.03 2.43 5.85 -1.55 0.95 115.31 122.12 3mel h LEU 109 Ca -0.17 0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3mel h LEU 109 Cb 1.26 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.60 3mel h LEU 109 CO -0.05 -0.22 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.75 3mel h LEU 110 N 0.15 -0.04 -1.75 2.25 3.38 -1.57 0.17 115.31 117.90 3mel h LEU 110 Ca 0.59 -0.28 0.13 0.00 0.09 0.00 0.00 57.88 58.41 3mel h LEU 110 Cb 1.25 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 3mel h LEU 110 CO -0.72 0.26 0.42 0.00 0.09 0.00 0.00 178.44 178.50 3mel h ALA 111 N 0.61 2.22 -0.07 1.53 0.00 -0.76 0.37 119.26 123.16 3mel h ALA 111 Ca -0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3mel h ALA 111 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3mel h ALA 111 CO 0.01 -0.38 -0.31 -0.91 0.00 0.00 0.00 179.25 177.66 3mel h ASN 112 N 0.26 0.39 -0.92 0.00 2.35 -0.60 -3.21 115.58 113.85 3mel h ASN 112 Ca 0.29 -0.64 0.12 0.00 -0.55 0.00 0.00 56.30 55.52 3mel h ASN 112 Cb 0.80 -0.11 -0.08 0.00 0.05 0.00 0.00 38.32 38.97 3mel h ASN 112 CO -0.06 0.97 0.54 0.25 -1.65 0.00 0.00 177.43 177.48 3mel h LEU 113 N -0.16 0.77 -2.01 1.61 5.85 0.81 -2.17 115.31 120.00 3mel h LEU 113 Ca -0.02 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3mel h LEU 113 Cb 0.95 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3mel h LEU 113 CO 0.06 0.40 0.00 0.79 -0.34 0.00 0.00 178.44 179.35 3mel n TRP 114 N -4.71 0.87 -0.17 1.25 8.01 -0.03 -4.35 117.44 118.32 3mel n TRP 114 Ca 0.17 -0.35 -0.02 0.00 -1.31 0.00 0.00 57.50 55.98 3mel n TRP 114 Cb 0.35 -0.16 0.04 0.00 -2.01 0.00 0.00 31.31 29.54 3mel n TRP 114 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.69 176.61 3mel h LEU 115 N 2.45 -0.48 0.00 -0.99 3.38 -1.39 -1.80 115.31 116.49 3mel h LEU 115 Ca 0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3mel h LEU 115 Cb 0.94 0.32 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3mel h LEU 115 CO 0.13 -0.17 0.00 -2.65 0.09 0.00 0.00 178.44 175.84 3mel n PRO 116 N -5.37 0.21 0.07 1.13 -0.02 -1.26 -1.21 135.00 128.55 3mel n PRO 116 Ca 0.05 0.12 0.13 0.00 -2.02 0.00 0.00 63.50 61.79 3mel n PRO 116 Cb 0.28 -1.50 0.36 0.00 -0.02 0.00 0.00 33.50 32.62 3mel n PRO 116 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3mel n PHE 117 N -1.19 0.65 -2.29 6.00 3.72 -0.68 -3.48 117.46 120.18 3mel n PHE 117 Ca 0.06 0.19 -0.42 0.00 -0.05 0.00 0.00 57.45 57.22 3mel n PHE 117 Cb 0.06 -0.76 -0.03 0.00 -0.94 0.00 0.00 39.48 37.82 3mel n PHE 117 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3mel s GLU 118 N -3.10 4.32 0.45 -1.08 2.02 -0.35 -4.85 118.70 116.11 3mel s GLU 118 Ca 0.10 1.89 0.27 0.00 0.02 0.00 0.00 54.97 57.24 3mel s GLU 118 Cb 0.14 -3.52 1.31 0.00 0.10 0.00 0.00 34.13 32.15 3mel s GLU 118 CO 0.63 -0.50 1.74 -1.35 0.02 0.00 0.00 175.26 175.80 3mel h PRO 119 N 7.56 0.21 0.00 0.39 0.11 -1.88 0.87 132.00 139.26 3mel h PRO 119 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3mel h PRO 119 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3mel h PRO 119 CO 0.89 0.14 0.00 2.89 -0.21 0.00 0.00 178.00 181.70 3mel n ARG 120 N -4.50 0.08 0.00 1.05 1.85 -1.26 -3.79 116.66 110.08 3mel n ARG 120 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.13 3mel n ARG 120 Cb 1.12 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 31.03 3mel n ARG 120 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3mel n PHE 121 N -1.46 0.00 -0.18 2.89 3.72 0.26 -4.72 117.46 117.96 3mel n PHE 121 Ca 0.08 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.62 3mel n PHE 121 Cb 0.32 0.00 0.46 0.00 -0.94 0.00 0.00 39.48 39.33 3mel n PHE 121 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3mel h GLN 122 N 0.00 0.49 0.00 -1.08 4.15 -0.28 -0.43 115.11 117.96 3mel h GLN 122 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3mel h GLN 122 Cb 0.00 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.58 3mel h GLN 122 CO 0.00 0.32 0.00 0.78 -1.93 0.00 0.00 178.83 178.00 3mel h GLY 123 N 0.50 0.00 -0.02 2.39 0.00 -1.84 -3.04 103.07 101.07 3mel h GLY 123 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 3mel h GLY 123 CO -0.13 0.00 -0.01 3.33 0.00 0.00 0.00 176.54 179.72 3mel n VAL 124 N -2.52 1.15 -0.02 4.60 0.24 -0.18 -4.83 118.33 116.77 3mel n VAL 124 Ca -0.00 -1.25 0.24 0.00 -2.04 0.00 0.00 64.34 61.28 3mel n VAL 124 Cb 0.15 0.33 0.68 0.00 -1.47 0.00 0.00 33.84 33.53 3mel n VAL 124 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 3mel h LEU 125 N 0.00 0.00 -0.61 1.34 8.10 -1.40 0.47 115.31 123.20 3mel h LEU 125 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3mel h LEU 125 Cb 0.68 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.90 3mel h LEU 125 CO 0.00 0.00 0.00 0.03 -4.11 0.00 0.00 178.44 174.36 3mel h ARG 126 N 0.00 0.00 0.00 0.17 2.47 -1.88 -3.18 114.38 111.96 3mel h ARG 126 Ca 0.30 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.80 3mel h ARG 126 Cb 1.61 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.89 3mel h ARG 126 CO -0.00 0.00 -1.80 1.04 0.56 0.00 0.00 179.97 179.77 3mel n GLN 127 N -2.49 0.65 -2.29 0.04 6.02 0.16 -4.86 117.38 114.60 3mel n GLN 127 Ca 0.03 0.12 -0.41 0.00 -0.01 0.00 0.00 57.00 56.72 3mel n GLN 127 Cb 0.32 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 29.86 3mel n GLN 127 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3mel s ILE 128 N -2.83 3.33 -0.46 5.09 1.01 -1.20 -4.53 121.20 121.61 3mel s ILE 128 Ca -0.06 1.14 0.06 0.00 0.00 0.00 0.00 60.65 61.79 3mel s ILE 128 Cb 0.09 -3.73 0.18 0.00 0.01 0.00 0.00 42.46 39.01 3mel s ILE 128 CO 0.83 0.19 0.58 -0.60 0.00 0.00 0.00 174.94 175.95 3mel s ARG 129 N -0.42 0.95 0.11 2.79 3.52 -1.26 -4.35 118.95 120.29 3mel s ARG 129 Ca 0.53 -1.15 -0.31 0.00 -0.13 0.00 0.00 55.73 54.67 3mel s ARG 129 Cb -0.35 -0.41 -0.09 0.00 -1.56 0.00 0.00 34.95 32.54 3mel s ARG 129 CO 0.39 -1.30 1.59 -0.51 -0.81 0.00 0.00 175.30 174.65 3mel s LEU 130 N 0.91 4.37 0.04 -0.88 1.43 -1.20 -2.05 118.68 121.29 3mel s LEU 130 Ca 0.27 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 55.89 3mel s LEU 130 Cb -0.02 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.60 3mel s LEU 130 CO -0.08 -0.84 -0.04 0.00 0.23 0.00 0.00 176.35 175.62 3mel s ASP 132 N -1.91 0.22 0.21 0.00 3.84 -0.21 -4.33 116.67 114.50 3mel s ASP 132 Ca -0.08 -1.15 0.01 0.00 -0.00 0.00 0.00 52.55 51.33 3mel s ASP 132 Cb -0.05 0.75 0.52 0.00 -1.38 0.00 0.00 42.92 42.76 3mel s ASP 132 CO -0.03 -1.47 1.07 -1.14 -0.00 0.00 0.00 175.17 173.60 3mel n ARG 133 N -0.51 -0.05 -0.00 2.11 0.63 -1.18 -1.67 116.66 115.98 3mel n ARG 133 Ca -0.04 1.02 0.09 0.00 -0.92 0.00 0.00 57.85 58.00 3mel n ARG 133 Cb 0.60 -1.62 -0.13 0.00 0.45 0.00 0.00 32.46 31.76 3mel n ARG 133 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3mel n GLN 134 N -4.92 0.69 -3.92 -0.14 6.02 -1.26 -4.87 117.38 108.99 3mel n GLN 134 Ca 0.16 -0.10 -0.11 0.00 -0.01 0.00 0.00 57.00 56.94 3mel n GLN 134 Cb 0.53 -1.42 -0.13 0.00 1.02 0.00 0.00 30.24 30.23 3mel n GLN 134 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3mel s ASN 135 N -3.56 0.10 -0.23 1.08 0.01 -0.67 -2.11 114.94 109.56 3mel s ASN 135 Ca -0.01 -0.19 0.01 0.00 -0.71 0.00 0.00 52.86 51.96 3mel s ASN 135 Cb 0.13 0.04 0.06 0.00 0.41 0.00 0.00 41.25 41.88 3mel s ASN 135 CO 0.79 -0.11 -0.08 -0.44 -1.51 0.00 0.00 177.10 175.75 3mel s SER 136 N -0.56 3.88 -0.06 -1.22 0.01 -0.22 -1.04 113.70 114.49 3mel s SER 136 Ca -0.06 -1.16 -0.04 0.00 1.31 0.00 0.00 55.95 56.00 3mel s SER 136 Cb -0.04 -1.27 -0.04 0.00 0.21 0.00 0.00 66.02 64.88 3mel s SER 136 CO -0.00 -0.21 0.11 -0.63 0.41 0.00 0.00 173.24 172.92 3mel s ILE 137 N 1.33 5.12 -0.08 1.44 1.01 -0.03 -2.25 121.20 127.74 3mel s ILE 137 Ca -0.06 -0.09 -0.13 0.00 0.00 0.00 0.00 60.65 60.38 3mel s ILE 137 Cb -0.19 -3.28 0.03 0.00 0.01 0.00 0.00 42.46 39.03 3mel s ILE 137 CO -0.06 0.49 0.32 -1.58 0.00 0.00 0.00 174.94 174.11 3mel s GLN 138 N -1.37 0.49 -0.05 2.79 0.74 -0.66 -3.25 119.66 118.36 3mel s GLN 138 Ca 0.19 0.22 0.02 0.00 0.05 0.00 0.00 55.36 55.84 3mel s GLN 138 Cb -0.12 0.23 -0.03 0.00 1.10 0.00 0.00 33.01 34.19 3mel s GLN 138 CO 0.09 -0.10 -0.09 0.71 -0.55 0.00 0.00 175.29 175.36 3mel s TYR 139 N -0.38 2.87 0.05 1.67 2.02 -1.26 0.34 117.35 122.67 3mel s TYR 139 Ca -0.05 -0.03 0.02 0.00 -0.37 0.00 0.00 57.07 56.64 3mel s TYR 139 Cb -0.03 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.83 3mel s TYR 139 CO 0.02 0.31 -0.08 0.71 -1.57 0.00 0.00 175.55 174.94 3mel s TYR 140 N -0.83 0.74 0.40 2.71 2.02 -0.65 -4.41 117.35 117.32 3mel s TYR 140 Ca 0.13 -0.56 0.08 0.00 -0.37 0.00 0.00 57.07 56.35 3mel s TYR 140 Cb -0.11 -0.44 -0.05 0.00 -0.40 0.00 0.00 41.96 40.96 3mel s TYR 140 CO 0.02 -0.08 0.15 0.00 -1.57 0.00 0.00 175.55 174.07 3mel s ALA 141 N -1.69 3.51 0.20 3.71 0.00 -1.26 -3.01 121.76 123.21 3mel s ALA 141 Ca -0.06 -2.07 -0.31 0.00 0.00 0.00 0.00 51.96 49.51 3mel s ALA 141 Cb -0.08 -0.40 -0.16 0.00 0.00 0.00 0.00 23.12 22.49 3mel s ALA 141 CO -0.00 -0.11 1.06 -2.30 0.00 0.00 0.00 175.76 174.41 3mel n PRO 142 N -1.18 1.05 -3.70 0.00 -0.02 -1.26 -4.79 135.00 125.10 3mel n PRO 142 Ca -0.02 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3mel n PRO 142 Cb 0.64 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 3mel n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mel n GLY 143 N 1.81 -0.50 2.74 -1.23 0.00 0.58 -4.98 105.19 103.60 3mel n GLY 143 Ca 0.14 -1.02 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 3mel n GLY 143 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mel s SER 144 N -4.00 0.43 0.19 1.61 0.15 -1.26 -0.41 113.70 110.40 3mel s SER 144 Ca 0.00 0.05 -0.00 0.00 0.70 0.00 0.00 55.95 56.70 3mel s SER 144 Cb 0.00 -0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.17 3mel s SER 144 CO 0.00 -0.17 0.09 -0.31 1.20 0.00 0.00 173.24 174.05 3mel s TYR 145 N 1.44 1.14 0.19 3.44 2.02 0.03 -4.99 117.35 120.62 3mel s TYR 145 Ca -0.04 -1.26 0.07 0.00 -0.37 0.00 0.00 57.07 55.47 3mel s TYR 145 Cb -0.13 -0.61 -0.04 0.00 -0.40 0.00 0.00 41.96 40.79 3mel s TYR 145 CO -0.03 -0.50 0.04 0.96 -1.57 0.00 0.00 175.55 174.44 3mel s ILE 146 N -4.00 3.86 -0.25 2.71 -5.25 -1.26 -1.40 121.20 115.60 3mel s ILE 146 Ca 0.33 -1.44 -0.01 0.00 -0.99 0.00 0.00 60.65 58.54 3mel s ILE 146 Cb 0.07 -2.97 0.08 0.00 2.95 0.00 0.00 42.46 42.58 3mel s ILE 146 CO 0.08 -0.17 0.03 -0.69 -1.79 0.00 0.00 174.94 172.41 3mel s VAL 147 N -1.85 1.05 0.11 8.37 1.01 0.98 -4.95 120.40 125.12 3mel s VAL 147 Ca 0.29 -1.14 -0.31 0.00 0.00 0.00 0.00 61.98 60.82 3mel s VAL 147 Cb -0.09 -1.57 -0.07 0.00 0.00 0.00 0.00 36.38 34.65 3mel s VAL 147 CO 0.20 -0.35 1.27 -2.84 0.00 0.00 0.00 175.10 173.38 3mel s PRO 148 N 1.58 4.40 0.35 2.72 0.02 -1.26 -1.82 135.00 140.98 3mel s PRO 148 Ca 0.02 1.91 -0.29 0.00 0.02 0.00 0.00 61.00 62.66 3mel s PRO 148 Cb -0.18 -3.29 -0.11 0.00 0.02 0.00 0.00 34.50 30.95 3mel s PRO 148 CO -0.13 -0.30 1.47 0.21 -0.33 0.00 0.00 177.00 177.92 3mel s LYS 149 N 0.81 4.17 0.12 5.54 2.20 -0.90 -4.91 119.74 126.76 3mel s LYS 149 Ca 0.60 2.49 -0.27 0.00 -0.36 0.00 0.00 55.97 58.42 3mel s LYS 149 Cb -0.33 -3.01 -0.07 0.00 -1.51 0.00 0.00 37.83 32.92 3mel s LYS 149 CO 0.31 -0.48 0.85 -1.21 -0.36 0.00 0.00 175.35 174.47 3mel s GLU 150 N -1.66 4.62 0.28 4.03 2.02 -1.26 -4.92 118.70 121.81 3mel s GLU 150 Ca 0.54 1.26 0.02 0.00 0.02 0.00 0.00 54.97 56.81 3mel s GLU 150 Cb -0.45 -3.33 0.59 0.00 0.10 0.00 0.00 34.13 31.03 3mel s GLU 150 CO 0.57 0.36 1.80 -1.35 0.02 0.00 0.00 175.26 176.66 3mel h PRO 151 N 5.14 0.80 -0.06 0.39 0.11 -2.00 -2.66 132.00 133.72 3mel h PRO 151 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3mel h PRO 151 Cb 1.21 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3mel h PRO 151 CO 0.70 0.53 0.00 -0.40 -0.21 0.00 0.00 178.00 178.62 3mel n ASP 152 N -4.73 1.63 -4.65 -2.05 5.75 -1.26 -4.84 116.55 106.40 3mel n ASP 152 Ca 0.19 -1.58 -0.36 0.00 -0.01 0.00 0.00 54.79 53.04 3mel n ASP 152 Cb 0.43 -0.03 -0.10 0.00 -1.03 0.00 0.00 41.12 40.39 3mel n ASP 152 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3mel s LYS 153 N -1.94 4.03 -0.01 0.11 -0.14 -1.00 -4.82 119.74 115.96 3mel s LYS 153 Ca 0.36 -0.30 0.12 0.00 -1.36 0.00 0.00 55.97 54.79 3mel s LYS 153 Cb 0.20 -3.41 -0.23 0.00 -1.68 0.00 0.00 37.83 32.71 3mel s LYS 153 CO 0.31 0.14 0.78 0.93 -0.76 0.00 0.00 175.35 176.75 3mel h GLU 154 N 7.22 0.00 -6.69 1.68 5.08 -1.56 -3.45 114.58 116.86 3mel h GLU 154 Ca -0.38 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.33 3mel h GLU 154 Cb 1.17 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.19 3mel h GLU 154 CO 0.68 0.58 -0.86 0.71 -1.00 0.00 0.00 179.01 179.12 3mel s TYR 155 N -2.62 2.16 0.07 4.33 2.02 0.44 -4.60 117.35 119.15 3mel s TYR 155 Ca -0.04 -0.39 0.06 0.00 -0.37 0.00 0.00 57.07 56.33 3mel s TYR 155 Cb 0.08 -1.18 -0.03 0.00 -0.40 0.00 0.00 41.96 40.43 3mel s TYR 155 CO 0.82 0.29 -0.16 -1.17 -1.57 0.00 0.00 175.55 173.76 3mel s LEU 156 N -1.96 2.25 -0.06 -1.29 2.96 0.22 -1.03 118.68 119.78 3mel s LEU 156 Ca 0.12 -0.59 -0.15 0.00 -0.22 0.00 0.00 54.13 53.29 3mel s LEU 156 Cb -0.10 -0.65 0.03 0.00 0.50 0.00 0.00 46.19 45.97 3mel s LEU 156 CO 0.05 -0.00 0.35 0.00 -1.32 0.00 0.00 176.35 175.43 3mel s ALA 157 N -1.12 -0.89 -0.33 5.97 0.00 -0.08 -2.00 121.76 123.32 3mel s ALA 157 Ca 0.01 0.62 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 3mel s ALA 157 Cb -0.09 -0.15 0.06 0.00 0.00 0.00 0.00 23.12 22.94 3mel s ALA 157 CO 0.02 -0.24 0.06 0.71 0.00 0.00 0.00 175.76 176.32 3mel s TYR 158 N -0.83 3.35 -0.32 0.00 2.02 -0.46 -1.19 117.35 119.92 3mel s TYR 158 Ca -0.09 -1.95 -0.08 0.00 -0.37 0.00 0.00 57.07 54.58 3mel s TYR 158 Cb -0.04 -2.41 0.02 0.00 -0.40 0.00 0.00 41.96 39.13 3mel s TYR 158 CO 0.03 -0.83 0.11 0.00 -1.57 0.00 0.00 175.55 173.29 3mel h LEU 161 N 11.63 0.00 -9.15 0.00 3.38 -1.93 -3.05 115.31 116.19 3mel h LEU 161 Ca -0.26 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.25 3mel h LEU 161 Cb 1.06 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.67 3mel h LEU 161 CO 1.16 0.06 -0.63 0.42 0.09 0.00 0.00 178.44 179.54 3mel s THR 162 N -3.65 1.25 0.04 0.22 -4.23 -1.26 -4.76 115.64 103.26 3mel s THR 162 Ca 0.01 -2.03 -0.35 0.00 -1.18 0.00 0.00 61.69 58.14 3mel s THR 162 Cb 0.09 -2.65 -0.14 0.00 1.34 0.00 0.00 72.50 71.14 3mel s THR 162 CO 0.57 -0.11 1.64 -2.65 -0.54 0.00 0.00 174.62 173.53 3mel n PRO 163 N -0.62 1.92 -3.62 3.99 -0.02 -1.26 -4.44 135.00 130.94 3mel n PRO 163 Ca -0.03 0.70 -0.20 0.00 -2.02 0.00 0.00 63.50 61.94 3mel n PRO 163 Cb 0.65 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 3mel n PRO 163 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3mel s VAL 164 N 1.94 3.38 -0.05 -1.45 0.11 0.10 -3.94 120.40 120.51 3mel s VAL 164 Ca 0.85 -1.27 0.02 0.00 -2.93 0.00 0.00 61.98 58.66 3mel s VAL 164 Cb -0.76 -3.17 0.01 0.00 -1.53 0.00 0.00 36.38 30.94 3mel s VAL 164 CO 0.45 -0.12 -0.10 -1.61 -3.33 0.00 0.00 175.10 170.40 3mel s GLU 165 N -4.09 1.33 -1.12 1.54 2.02 -1.07 -1.82 118.70 115.50 3mel s GLU 165 Ca 0.44 -0.33 -0.13 0.00 0.02 0.00 0.00 54.97 54.98 3mel s GLU 165 Cb -0.06 -1.16 -0.03 0.00 0.10 0.00 0.00 34.13 32.97 3mel s GLU 165 CO 0.28 0.03 0.84 -1.71 0.02 0.00 0.00 175.26 174.73 3mel n ASN 166 N 3.71 -5.38 -4.76 -0.19 5.15 -0.81 -1.13 115.26 111.84 3mel n ASN 166 Ca -0.22 -0.87 -0.38 0.00 -0.60 0.00 0.00 54.58 52.51 3mel n ASN 166 Cb 0.52 -4.21 -0.06 0.00 -0.53 0.00 0.00 39.78 35.50 3mel n ASN 166 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3mel s LEU 167 N -6.06 4.35 -0.07 1.20 2.96 0.80 -3.99 118.68 117.87 3mel s LEU 167 Ca 0.41 0.90 -0.00 0.00 -0.22 0.00 0.00 54.13 55.22 3mel s LEU 167 Cb -0.11 -2.69 0.02 0.00 0.50 0.00 0.00 46.19 43.92 3mel s LEU 167 CO 0.81 0.11 -0.03 -0.89 -1.32 0.00 0.00 176.35 175.02 3mel s THR 168 N 0.02 0.58 0.09 3.68 2.01 -0.16 -1.19 115.64 120.68 3mel s THR 168 Ca 0.26 -0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.27 3mel s THR 168 Cb -0.16 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 3mel s THR 168 CO 0.12 0.28 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.49 3mel s LEU 169 N 1.59 3.15 0.29 4.42 1.43 -0.85 -0.96 118.68 127.74 3mel s LEU 169 Ca -0.00 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.69 3mel s LEU 169 Cb -0.13 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.17 3mel s LEU 169 CO -0.04 0.19 0.51 -0.13 0.23 0.00 0.00 176.35 177.10 3mel s ARG 170 N -2.16 1.73 -1.00 1.70 3.00 -0.02 -3.94 118.95 118.25 3mel s ARG 170 Ca 0.22 -1.43 -0.03 0.00 0.00 0.00 0.00 55.73 54.49 3mel s ARG 170 Cb -0.11 0.48 0.03 0.00 0.00 0.00 0.00 34.95 35.34 3mel s ARG 170 CO 0.14 -0.73 0.18 0.54 0.00 0.00 0.00 175.30 175.43 3mel n ARG 171 N -0.45 -2.74 -4.07 3.54 1.74 -1.26 -3.03 116.66 110.39 3mel n ARG 171 Ca -0.02 0.47 -0.07 0.00 -0.77 0.00 0.00 57.85 57.46 3mel n ARG 171 Cb 0.62 -5.10 -0.10 0.00 -1.02 0.00 0.00 32.46 26.86 3mel n ARG 171 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3mel s SER 172 N -2.28 0.45 0.40 0.55 1.04 -1.26 -3.37 113.70 109.23 3mel s SER 172 Ca 0.15 -0.91 0.14 0.00 0.48 0.00 0.00 55.95 55.81 3mel s SER 172 Cb -0.08 0.18 0.99 0.00 0.10 0.00 0.00 66.02 67.21 3mel s SER 172 CO 0.18 -0.54 1.87 0.50 0.98 0.00 0.00 173.24 176.23 3mel h LYS 173 N 3.43 0.49 -5.71 4.02 3.64 -1.43 -3.42 116.57 117.60 3mel h LYS 173 Ca -0.34 -0.03 -0.54 0.00 -1.27 0.00 0.00 60.65 58.48 3mel h LYS 173 Cb 1.15 -0.11 -0.14 0.00 -0.41 0.00 0.00 32.23 32.72 3mel h LYS 173 CO 0.61 0.32 -0.69 0.71 -2.27 0.00 0.00 179.45 178.13 3mel s TYR 174 N -5.52 2.08 0.21 1.91 2.02 -1.26 -4.98 117.35 111.81 3mel s TYR 174 Ca -0.09 -0.59 -0.08 0.00 -0.37 0.00 0.00 57.07 55.94 3mel s TYR 174 Cb 0.22 -1.13 -0.02 0.00 -0.40 0.00 0.00 41.96 40.63 3mel s TYR 174 CO 0.78 0.42 0.32 -0.51 -1.57 0.00 0.00 175.55 174.99 3mel s LEU 175 N -3.48 0.76 0.07 -1.29 1.43 -1.26 -4.74 118.68 110.16 3mel s LEU 175 Ca 0.30 -1.03 -0.17 0.00 -1.03 0.00 0.00 54.13 52.19 3mel s LEU 175 Cb 0.02 1.21 0.03 0.00 0.03 0.00 0.00 46.19 47.48 3mel s LEU 175 CO 0.13 -0.98 0.40 -0.76 0.23 0.00 0.00 176.35 175.37 3mel s LEU 176 N -3.04 0.43 -0.11 1.79 1.43 -1.25 -4.92 118.68 113.02 3mel s LEU 176 Ca 0.25 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 3mel s LEU 176 Cb 0.03 1.74 0.03 0.00 0.03 0.00 0.00 46.19 48.02 3mel s LEU 176 CO 0.07 -0.71 -0.04 0.42 0.23 0.00 0.00 176.35 176.32 3mel s THR 177 N -2.84 0.75 -1.40 5.49 -4.23 -1.26 -2.01 115.64 110.15 3mel s THR 177 Ca -0.03 -0.19 -0.04 0.00 -1.18 0.00 0.00 61.69 60.25 3mel s THR 177 Cb -0.00 -0.87 0.03 0.00 1.34 0.00 0.00 72.50 72.99 3mel s THR 177 CO -0.05 0.26 0.73 0.59 -0.54 0.00 0.00 174.62 175.61 3mel n ASN 178 N 5.02 -2.05 -4.71 3.99 3.02 -1.00 -4.88 115.26 114.66 3mel n ASN 178 Ca -0.10 -0.85 -0.41 0.00 -0.03 0.00 0.00 54.58 53.19 3mel n ASN 178 Cb 0.50 -3.80 -0.04 0.00 -0.61 0.00 0.00 39.78 35.83 3mel n ASN 178 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3mel s GLN 179 N -6.28 4.48 -0.17 3.52 2.00 -0.33 -4.59 119.66 118.30 3mel s GLN 179 Ca 0.20 1.21 -0.22 0.00 -2.00 0.00 0.00 55.36 54.56 3mel s GLN 179 Cb -0.10 -3.48 -0.03 0.00 0.80 0.00 0.00 33.01 30.20 3mel s GLN 179 CO 0.83 -0.08 0.67 0.34 -0.50 0.00 0.00 175.29 176.56 3mel s ASP 180 N 0.97 6.78 -0.46 6.67 2.15 -1.26 -0.14 116.67 131.38 3mel s ASP 180 Ca 0.46 0.95 -0.05 0.00 0.43 0.00 0.00 52.55 54.34 3mel s ASP 180 Cb -0.19 -2.37 0.12 0.00 -0.30 0.00 0.00 42.92 40.18 3mel s ASP 180 CO 0.22 -0.25 0.28 -0.69 -0.17 0.00 0.00 175.17 174.56 3mel s VAL 181 N 1.70 3.62 0.35 1.11 1.01 -0.76 -4.97 120.40 122.46 3mel s VAL 181 Ca 0.32 -2.12 0.12 0.00 0.00 0.00 0.00 61.98 60.29 3mel s VAL 181 Cb -0.16 -3.43 0.07 0.00 0.00 0.00 0.00 36.38 32.86 3mel s VAL 181 CO 0.12 -0.75 1.78 -0.65 0.00 0.00 0.00 175.10 175.61 3mel h PRO 182 N 8.00 0.03 -3.34 2.72 0.11 -1.94 0.29 132.00 137.89 3mel h PRO 182 Ca -0.13 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.83 3mel h PRO 182 Cb 1.04 -0.00 -0.20 0.00 0.11 0.00 0.00 31.00 31.95 3mel h PRO 182 CO 0.74 0.43 -0.40 1.52 -0.21 0.00 0.00 178.00 180.09 3mel s TYR 183 N -4.12 -0.04 -0.40 0.65 -0.85 -1.26 -4.60 117.35 106.73 3mel s TYR 183 Ca -0.03 -0.00 -0.44 0.00 -0.52 0.00 0.00 57.07 56.08 3mel s TYR 183 Cb 0.14 0.01 -0.18 0.00 0.38 0.00 0.00 41.96 42.31 3mel s TYR 183 CO 0.74 -0.34 1.67 -2.30 -1.52 0.00 0.00 175.55 173.80 3mel n PRO 184 N 1.29 0.53 -4.19 -3.49 -0.02 -1.26 -4.73 135.00 123.13 3mel n PRO 184 Ca -0.22 0.19 -0.18 0.00 -2.02 0.00 0.00 63.50 61.27 3mel n PRO 184 Cb 0.56 -1.78 -0.12 0.00 -0.02 0.00 0.00 33.50 32.14 3mel n PRO 184 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3mel s THR 185 N 3.30 1.11 -0.45 3.45 2.01 -1.15 -4.97 115.64 118.94 3mel s THR 185 Ca 1.02 -1.28 0.04 0.00 0.31 0.00 0.00 61.69 61.78 3mel s THR 185 Cb -1.30 -1.07 0.12 0.00 0.01 0.00 0.00 72.50 70.26 3mel s THR 185 CO 0.75 -0.21 0.18 -0.55 -0.69 0.00 0.00 174.62 174.10 3mel s SER 186 N -1.69 4.43 -0.45 3.53 0.15 -1.26 -0.66 113.70 117.75 3mel s SER 186 Ca -0.02 -2.65 -0.28 0.00 0.70 0.00 0.00 55.95 53.70 3mel s SER 186 Cb -0.10 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 3mel s SER 186 CO 0.02 -0.29 1.54 -0.31 1.20 0.00 0.00 173.24 175.41 3mel s TYR 187 N 0.22 2.16 -0.15 3.44 2.02 -0.53 -4.88 117.35 119.64 3mel s TYR 187 Ca 0.15 0.62 -0.13 0.00 -0.37 0.00 0.00 57.07 57.34 3mel s TYR 187 Cb -0.23 -4.27 -0.06 0.00 -0.40 0.00 0.00 41.96 37.00 3mel s TYR 187 CO -0.04 -2.23 -0.28 0.00 -1.57 0.00 0.00 175.55 171.43 3mel n ALA 188 N 9.72 1.40 -2.09 3.71 0.00 -1.26 -1.35 120.51 130.64 3mel n ALA 188 Ca 0.17 -0.70 -0.38 0.00 0.00 0.00 0.00 53.44 52.53 3mel n ALA 188 Cb 0.48 0.11 0.03 0.00 0.00 0.00 0.00 19.45 20.08 3mel n ALA 188 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3mel n SER 189 N -4.19 7.12 -4.88 0.00 7.64 -1.26 -4.20 113.62 113.85 3mel n SER 189 Ca -0.19 -3.81 -0.30 0.00 1.01 0.00 0.00 58.87 55.58 3mel n SER 189 Cb 0.51 -1.00 0.01 0.00 -1.01 0.00 0.00 64.21 62.72 3mel n SER 189 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3mel s ASN 190 N -1.45 6.16 0.08 6.43 3.84 -0.85 -4.88 114.94 124.26 3mel s ASN 190 Ca 0.50 1.34 0.04 0.00 0.21 0.00 0.00 52.86 54.95 3mel s ASN 190 Cb 0.40 -2.39 -0.03 0.00 -0.55 0.00 0.00 41.25 38.68 3mel s ASN 190 CO -0.36 -0.88 -0.11 -1.61 -2.79 0.00 0.00 177.10 171.35 3mel s GLU 191 N -5.15 0.77 0.33 0.43 2.02 -1.26 -0.61 118.70 115.23 3mel s GLU 191 Ca 0.54 -0.99 -0.27 0.00 0.02 0.00 0.00 54.97 54.27 3mel s GLU 191 Cb -0.11 -0.60 -0.09 0.00 0.10 0.00 0.00 34.13 33.43 3mel s GLU 191 CO 0.53 0.11 1.10 -0.06 0.02 0.00 0.00 175.26 176.96 3mel s PHE 192 N -1.75 3.41 -0.18 1.61 0.08 -1.26 -1.15 117.98 118.74 3mel s PHE 192 Ca -0.01 1.66 0.12 0.00 0.12 0.00 0.00 56.93 58.82 3mel s PHE 192 Cb -0.07 -3.26 -0.23 0.00 -0.57 0.00 0.00 43.02 38.88 3mel s PHE 192 CO 0.01 -0.70 0.15 -0.89 -0.10 0.00 0.00 175.22 173.68 3mel n ILE 193 N 0.66 1.48 -2.74 0.64 5.41 -1.22 -4.75 119.36 118.84 3mel n ILE 193 Ca 0.01 -0.78 -0.10 0.00 1.00 0.00 0.00 62.75 62.89 3mel n ILE 193 Cb 0.46 -0.85 0.05 0.00 -0.71 0.00 0.00 39.64 38.59 3mel n ILE 193 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 3mel n GLU 194 N -2.96 1.13 -0.63 0.38 0.28 -1.26 -4.96 120.64 112.62 3mel n GLU 194 Ca -0.32 -2.80 0.00 0.00 -0.16 0.00 0.00 57.16 53.87 3mel n GLU 194 Cb 1.10 -0.96 0.00 0.00 1.43 0.00 0.00 31.44 33.00 3mel n GLU 194 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3mel n GLU 195 N -0.14 -1.65 -3.61 3.44 -0.58 -1.26 -4.75 120.64 112.09 3mel n GLU 195 Ca 0.08 0.28 -0.02 0.00 -0.42 0.00 0.00 57.16 57.08 3mel n GLU 195 Cb 0.80 -4.08 -0.02 0.00 -0.57 0.00 0.00 31.44 27.58 3mel n GLU 195 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3mel s ALA 196 N -0.69 -2.17 0.00 0.62 0.00 -1.26 -2.13 121.76 116.13 3mel s ALA 196 Ca 0.00 1.60 0.00 0.00 0.00 0.00 0.00 51.96 53.56 3mel s ALA 196 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.96 3mel s ALA 196 CO 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 175.76 175.11 3mel n ALA 197 N -0.12 0.00 -3.47 0.00 0.00 -0.76 -4.56 120.51 111.60 3mel n ALA 197 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 3mel n ALA 197 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 3mel n ALA 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mel s ALA 198 N -1.43 -1.69 0.27 0.00 0.00 -1.17 -0.02 121.76 117.73 3mel s ALA 198 Ca 0.00 0.86 -0.16 0.00 0.00 0.00 0.00 51.96 52.65 3mel s ALA 198 Cb 0.00 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.61 3mel s ALA 198 CO 0.00 -0.61 0.60 -0.59 0.00 0.00 0.00 175.76 175.16 3mel s PHE 199 N -2.73 0.12 -0.20 0.00 -0.12 -0.49 -0.85 117.98 113.70 3mel s PHE 199 Ca -0.03 -0.53 -0.25 0.00 -0.05 0.00 0.00 56.93 56.07 3mel s PHE 199 Cb -0.01 0.44 0.07 0.00 -0.63 0.00 0.00 43.02 42.89 3mel s PHE 199 CO -0.04 -1.12 0.68 -1.54 -0.05 0.00 0.00 175.22 173.14 3mel s SER 200 N -2.98 -0.69 0.21 1.98 1.04 -0.14 -0.79 113.70 112.33 3mel s SER 200 Ca 0.17 1.20 -0.18 0.00 0.48 0.00 0.00 55.95 57.62 3mel s SER 200 Cb -0.03 1.17 0.03 0.00 0.10 0.00 0.00 66.02 67.29 3mel s SER 200 CO 0.08 -0.33 0.55 0.72 0.98 0.00 0.00 173.24 175.24 3mel s PHE 201 N -0.05 -0.10 -0.43 5.02 -0.12 0.45 -0.99 117.98 121.76 3mel s PHE 201 Ca -0.03 -0.26 0.07 0.00 -0.05 0.00 0.00 56.93 56.66 3mel s PHE 201 Cb -0.04 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.73 3mel s PHE 201 CO 0.03 -0.96 0.37 -0.25 -0.05 0.00 0.00 175.22 174.36 3mel n ASP 202 N -0.36 0.58 -3.50 1.98 8.00 -0.29 -0.31 116.55 122.66 3mel n ASP 202 Ca -0.09 -0.79 -0.10 0.00 0.71 0.00 0.00 54.79 54.52 3mel n ASP 202 Cb 0.62 0.78 -0.02 0.00 -0.02 0.00 0.00 41.12 42.48 3mel n ASP 202 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mel s ALA 203 N -1.39 -1.68 0.00 2.24 0.00 -1.24 -4.85 121.76 114.85 3mel s ALA 203 Ca 0.04 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.65 3mel s ALA 203 Cb 0.05 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.84 3mel s ALA 203 CO 0.22 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.63 3mel n GLY 204 N -0.33 1.74 3.63 0.00 0.00 -1.25 -2.59 105.19 106.39 3mel n GLY 204 Ca -0.12 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 3mel n GLY 204 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mel s ILE 206 N 0.00 0.00 -0.25 -0.61 1.09 -1.17 -4.32 121.20 115.94 3mel s ILE 206 Ca 0.00 0.00 -0.10 0.00 -1.10 0.00 0.00 60.65 59.45 3mel s ILE 206 Cb 0.00 -1.00 -0.05 0.00 -1.06 0.00 0.00 42.46 40.35 3mel s ILE 206 CO 0.00 0.00 0.14 0.00 -0.10 0.00 0.00 174.94 174.98 3mel s ALA 207 N 0.88 3.49 -0.28 9.38 0.00 0.23 -1.64 121.76 133.82 3mel s ALA 207 Ca -0.04 -0.97 -0.13 0.00 0.00 0.00 0.00 51.96 50.82 3mel s ALA 207 Cb -0.05 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 3mel s ALA 207 CO -0.08 -0.31 0.28 0.08 0.00 0.00 0.00 175.76 175.73 3mel s VAL 208 N 1.29 5.25 -0.20 0.00 1.01 0.15 -1.14 120.40 126.76 3mel s VAL 208 Ca 0.07 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.37 3mel s VAL 208 Cb -0.14 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.65 3mel s VAL 208 CO 0.06 0.18 -0.17 -0.63 0.00 0.00 0.00 175.10 174.54 3mel s ILE 209 N 1.90 2.08 0.24 2.22 1.01 -0.34 -1.65 121.20 126.67 3mel s ILE 209 Ca 0.10 -1.14 -0.12 0.00 0.00 0.00 0.00 60.65 59.50 3mel s ILE 209 Cb -0.16 -1.97 -0.08 0.00 0.01 0.00 0.00 42.46 40.26 3mel s ILE 209 CO 0.11 0.37 0.61 -1.10 0.00 0.00 0.00 174.94 174.92 3mel s GLN 210 N 1.24 3.90 0.21 2.79 -0.21 -0.95 -0.90 119.66 125.74 3mel s GLN 210 Ca 0.01 0.44 -0.22 0.00 0.02 0.00 0.00 55.36 55.60 3mel s GLN 210 Cb -0.15 -2.64 0.05 0.00 1.00 0.00 0.00 33.01 31.27 3mel s GLN 210 CO -0.11 0.30 0.70 -1.54 -2.12 0.00 0.00 175.29 172.52 3mel s SER 211 N -2.22 -0.38 0.32 5.90 1.04 -0.20 -1.06 113.70 117.10 3mel s SER 211 Ca 0.48 -0.34 -0.12 0.00 0.48 0.00 0.00 55.95 56.45 3mel s SER 211 Cb -0.12 0.65 0.02 0.00 0.10 0.00 0.00 66.02 66.67 3mel s SER 211 CO 0.20 -1.14 0.59 -1.59 0.98 0.00 0.00 173.24 172.27 3mel s LYS 212 N -3.78 1.87 0.62 4.02 -2.85 -0.90 -0.42 119.74 118.31 3mel s LYS 212 Ca 0.07 -1.42 0.04 0.00 -1.00 0.00 0.00 55.97 53.67 3mel s LYS 212 Cb -0.04 0.52 0.09 0.00 -2.06 0.00 0.00 37.83 36.35 3mel s LYS 212 CO -0.02 -0.82 0.85 -0.51 0.10 0.00 0.00 175.35 174.96 3mel s ASP 213 N -3.08 4.86 0.00 0.03 1.01 -1.26 -4.87 116.67 113.35 3mel s ASP 213 Ca 0.22 -0.53 0.29 0.00 0.71 0.00 0.00 52.55 53.23 3mel s ASP 213 Cb -0.02 -0.03 1.18 0.00 1.01 0.00 0.00 42.92 45.05 3mel s ASP 213 CO 0.13 -1.48 1.82 0.29 0.21 0.00 0.00 175.17 176.13