#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mt1 s GLU 3 N 0.00 4.38 0.54 9.51 2.12 -1.26 -5.04 118.70 128.96 3mt1 s GLU 3 Ca 0.00 1.65 -0.17 0.00 0.36 0.00 0.00 54.97 56.80 3mt1 s GLU 3 Cb 0.00 -3.52 -0.06 0.00 0.26 0.00 0.00 34.13 30.81 3mt1 s GLU 3 CO 0.00 -0.38 1.03 0.95 -0.54 0.00 0.00 175.26 176.32 3mt1 s THR 4 N 1.94 3.95 0.57 -1.70 -4.23 -1.26 -4.43 115.64 110.48 3mt1 s THR 4 Ca 0.55 1.02 -0.11 0.00 -1.18 0.00 0.00 61.69 61.98 3mt1 s THR 4 Cb -0.25 -3.47 -0.05 0.00 1.34 0.00 0.00 72.50 70.08 3mt1 s THR 4 CO 0.23 -0.45 0.97 -2.16 -0.54 0.00 0.00 174.62 172.67 3mt1 s PRO 5 N -3.79 3.66 -0.16 3.99 0.04 -1.26 -4.92 135.00 132.57 3mt1 s PRO 5 Ca 0.64 0.69 -0.22 0.00 0.04 0.00 0.00 61.00 62.14 3mt1 s PRO 5 Cb -0.15 -2.15 0.06 0.00 0.04 0.00 0.00 34.50 32.30 3mt1 s PRO 5 CO 0.30 -0.43 0.57 1.52 0.04 0.00 0.00 177.00 179.00 3mt1 s TYR 6 N -2.97 -0.59 0.15 0.56 -0.85 -1.00 -1.95 117.35 110.70 3mt1 s TYR 6 Ca 0.54 1.31 -0.28 0.00 -0.52 0.00 0.00 57.07 58.13 3mt1 s TYR 6 Cb -0.11 0.24 -0.07 0.00 0.38 0.00 0.00 41.96 42.40 3mt1 s TYR 6 CO 0.47 -0.38 0.86 0.71 -1.52 0.00 0.00 175.55 175.69 3mt1 s TYR 7 N -0.21 3.88 -0.26 -3.49 1.51 0.14 -1.58 117.35 117.35 3mt1 s TYR 7 Ca -0.04 1.72 0.03 0.00 -1.01 0.00 0.00 57.07 57.77 3mt1 s TYR 7 Cb -0.03 -2.90 0.06 0.00 -0.11 0.00 0.00 41.96 38.98 3mt1 s TYR 7 CO 0.03 0.39 -0.11 -1.17 -1.11 0.00 0.00 175.55 173.59 3mt1 s LEU 8 N -0.72 3.37 -0.18 -1.29 2.96 -0.03 -0.86 118.68 121.93 3mt1 s LEU 8 Ca 0.40 -1.38 -0.17 0.00 -0.22 0.00 0.00 54.13 52.76 3mt1 s LEU 8 Cb -0.23 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 3mt1 s LEU 8 CO 0.28 -0.19 0.44 -0.63 -1.32 0.00 0.00 176.35 174.93 3mt1 s ILE 9 N 1.13 5.18 -0.38 6.68 1.09 0.24 -1.50 121.20 133.62 3mt1 s ILE 9 Ca -0.09 0.83 -0.19 0.00 -1.10 0.00 0.00 60.65 60.10 3mt1 s ILE 9 Cb -0.20 -3.78 0.01 0.00 -1.06 0.00 0.00 42.46 37.43 3mt1 s ILE 9 CO -0.05 0.26 0.56 -0.62 -0.10 0.00 0.00 174.94 174.99 3mt1 s ASP 10 N 0.93 6.32 0.39 3.58 -1.08 0.37 0.11 116.67 127.29 3mt1 s ASP 10 Ca 0.22 -0.17 0.13 0.00 -0.52 0.00 0.00 52.55 52.22 3mt1 s ASP 10 Cb -0.15 -2.29 0.96 0.00 -1.46 0.00 0.00 42.92 39.99 3mt1 s ASP 10 CO 0.09 -0.59 1.86 0.11 0.52 0.00 0.00 175.17 177.16 3mt1 h LYS 11 N 8.61 0.52 -0.34 4.34 1.57 -1.50 0.03 116.57 129.80 3mt1 h LYS 11 Ca -0.27 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.42 3mt1 h LYS 11 Cb 1.11 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 3mt1 h LYS 11 CO 0.82 0.34 -0.01 0.00 -0.57 0.00 0.00 179.45 180.03 3mt1 h ALA 12 N 1.61 0.46 -0.38 3.86 0.00 -1.87 0.54 119.26 123.49 3mt1 h ALA 12 Ca 0.46 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 3mt1 h ALA 12 Cb 0.95 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3mt1 h ALA 12 CO -0.19 0.24 -0.06 0.87 0.00 0.00 0.00 179.25 180.11 3mt1 h LYS 13 N 0.42 0.71 -0.42 0.00 1.57 -1.76 -0.66 116.57 116.42 3mt1 h LYS 13 Ca 0.10 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.65 3mt1 h LYS 13 Cb 0.47 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 3mt1 h LYS 13 CO 0.02 0.84 0.22 1.25 -0.57 0.00 0.00 179.45 181.20 3mt1 h LEU 14 N 0.52 0.32 -0.44 2.94 5.85 -0.90 -2.40 115.31 121.19 3mt1 h LEU 14 Ca 0.10 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.93 3mt1 h LEU 14 Cb 0.56 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.45 3mt1 h LEU 14 CO 0.03 0.23 -0.32 0.74 -0.34 0.00 0.00 178.44 178.78 3mt1 h THR 15 N 0.44 0.23 -0.83 1.05 2.02 0.45 -2.20 112.91 114.07 3mt1 h THR 15 Ca 0.18 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.54 3mt1 h THR 15 Cb 0.08 0.23 -0.11 0.00 -1.74 0.00 0.00 68.15 66.61 3mt1 h THR 15 CO -0.12 0.00 0.35 -0.09 0.37 0.00 0.00 175.52 176.02 3mt1 h ARG 16 N -0.23 0.42 -1.10 6.66 2.43 -0.62 0.22 114.38 122.16 3mt1 h ARG 16 Ca 0.19 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3mt1 h ARG 16 Cb 0.53 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3mt1 h ARG 16 CO -0.56 0.28 0.00 0.09 -1.51 0.00 0.00 179.97 178.26 3mt1 n ASN 17 N -5.02 0.82 0.00 -3.80 3.02 -0.83 -2.14 115.26 107.31 3mt1 n ASN 17 Ca 0.18 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 3mt1 n ASN 17 Cb 0.53 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 3mt1 n ASN 17 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3mt1 n GLU 19 N 0.60 0.00 0.02 3.52 -0.58 0.07 -0.92 120.64 123.34 3mt1 n GLU 19 Ca 0.00 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 3mt1 n GLU 19 Cb 0.15 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.98 3mt1 n GLU 19 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3mt1 h ARG 20 N 0.00 0.61 -0.50 3.49 3.08 -1.68 -2.67 114.38 116.71 3mt1 h ARG 20 Ca 0.00 -0.53 -0.01 0.00 0.07 0.00 0.00 59.98 59.51 3mt1 h ARG 20 Cb 0.00 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3mt1 h ARG 20 CO 0.00 1.15 0.29 0.82 -1.07 0.00 0.00 179.97 181.16 3mt1 h ILE 21 N 0.40 1.16 -0.82 2.04 2.04 -1.32 -2.43 117.51 118.58 3mt1 h ILE 21 Ca -0.06 -0.38 0.12 0.00 1.00 0.00 0.00 64.86 65.55 3mt1 h ILE 21 Cb 1.42 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 37.93 3mt1 h ILE 21 CO 0.15 0.17 0.44 0.00 0.00 0.00 0.00 178.15 178.91 3mt1 h ALA 22 N 1.13 1.20 -0.18 1.87 0.00 -1.73 -0.34 119.26 121.22 3mt1 h ALA 22 Ca 0.18 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3mt1 h ALA 22 Cb 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3mt1 h ALA 22 CO -0.03 -0.02 -0.05 0.45 0.00 0.00 0.00 179.25 179.59 3mt1 h HIS 23 N 0.67 0.40 -0.76 0.00 3.86 -1.33 -1.86 115.15 116.13 3mt1 h HIS 23 Ca 0.43 -0.09 0.05 0.00 -1.16 0.00 0.00 60.37 59.60 3mt1 h HIS 23 Cb 0.52 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.84 3mt1 h HIS 23 CO -0.08 0.63 0.46 0.28 0.86 0.00 0.00 177.93 180.07 3mt1 h VAL 24 N 0.05 1.03 -0.39 2.45 2.07 -0.91 0.10 116.25 120.65 3mt1 h VAL 24 Ca 0.04 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.30 3mt1 h VAL 24 Cb 0.51 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3mt1 h VAL 24 CO 0.02 0.15 0.20 0.03 0.02 0.00 0.00 177.57 178.00 3mt1 h ARG 25 N 0.85 0.40 -0.18 1.57 3.08 -0.88 0.35 114.38 119.57 3mt1 h ARG 25 Ca 0.33 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.27 3mt1 h ARG 25 Cb 0.15 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3mt1 h ARG 25 CO -0.16 0.27 -0.24 0.93 -1.07 0.00 0.00 179.97 179.69 3mt1 h GLU 26 N 0.42 0.48 -0.28 0.04 5.08 -0.49 -0.85 114.58 118.97 3mt1 h GLU 26 Ca 0.16 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 58.14 3mt1 h GLU 26 Cb 0.06 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3mt1 h GLU 26 CO -0.11 0.87 -0.28 0.87 -1.00 0.00 0.00 179.01 179.36 3mt1 h LYS 27 N 0.13 0.56 0.00 2.33 1.57 -0.75 -3.29 116.57 117.12 3mt1 h LYS 27 Ca 0.02 -0.23 -0.26 0.00 -1.87 0.00 0.00 60.65 58.31 3mt1 h LYS 27 Cb 0.81 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.05 3mt1 h LYS 27 CO 0.06 0.79 -1.70 -1.13 -0.57 0.00 0.00 179.45 176.90 3mt1 n SER 28 N -4.10 0.79 0.00 0.86 3.41 0.12 -4.75 113.62 109.95 3mt1 n SER 28 Ca -0.01 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 3mt1 n SER 28 Cb 0.44 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 3mt1 n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mt1 n GLY 29 N 1.53 2.16 3.87 5.00 0.00 -0.33 -4.11 105.19 113.32 3mt1 n GLY 29 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 3mt1 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mt1 s ALA 30 N -3.06 3.20 -0.10 4.61 0.00 -1.23 -4.77 121.76 120.41 3mt1 s ALA 30 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 3mt1 s ALA 30 Cb 0.00 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 3mt1 s ALA 30 CO 0.00 -0.45 0.06 0.15 0.00 0.00 0.00 175.76 175.52 3mt1 s LYS 31 N -4.72 3.20 -0.21 0.00 1.02 -0.56 -4.48 119.74 113.99 3mt1 s LYS 31 Ca 0.53 -0.29 -0.03 0.00 0.02 0.00 0.00 55.97 56.21 3mt1 s LYS 31 Cb -0.11 -2.97 -0.00 0.00 -0.52 0.00 0.00 37.83 34.23 3mt1 s LYS 31 CO 0.45 0.73 -0.08 0.00 -0.92 0.00 0.00 175.35 175.53 3mt1 s ALA 32 N -0.92 2.71 -0.10 5.17 0.00 -1.26 0.29 121.76 127.65 3mt1 s ALA 32 Ca 0.14 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 3mt1 s ALA 32 Cb -0.12 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 3mt1 s ALA 32 CO 0.03 -0.41 -0.06 -0.51 0.00 0.00 0.00 175.76 174.81 3mt1 s LEU 33 N 1.43 3.17 0.04 0.00 1.43 0.48 -0.28 118.68 124.95 3mt1 s LEU 33 Ca 0.06 -0.07 -0.31 0.00 -1.03 0.00 0.00 54.13 52.78 3mt1 s LEU 33 Cb -0.14 -1.71 -0.07 0.00 0.03 0.00 0.00 46.19 44.30 3mt1 s LEU 33 CO -0.05 0.30 1.47 -0.22 0.23 0.00 0.00 176.35 178.08 3mt1 s LEU 34 N -0.42 4.34 -0.66 1.79 2.96 -0.29 -2.88 118.68 123.51 3mt1 s LEU 34 Ca 0.06 2.26 -0.27 0.00 -0.22 0.00 0.00 54.13 55.96 3mt1 s LEU 34 Cb -0.12 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.03 3mt1 s LEU 34 CO 0.02 -0.76 1.21 0.00 -1.32 0.00 0.00 176.35 175.51 3mt1 s ALA 35 N 2.22 2.88 0.23 5.97 0.00 -0.99 -0.34 121.76 131.73 3mt1 s ALA 35 Ca 0.67 -1.17 0.35 0.00 0.00 0.00 0.00 51.96 51.81 3mt1 s ALA 35 Cb -0.35 -4.13 1.57 0.00 0.00 0.00 0.00 23.12 20.22 3mt1 s ALA 35 CO 0.29 -2.98 2.06 -0.07 0.00 0.00 0.00 175.76 175.06 3mt1 h LEU 36 N 12.42 0.00 -2.55 0.00 3.38 -1.64 -1.77 115.31 125.15 3mt1 h LEU 36 Ca -0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3mt1 h LEU 36 Cb 1.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 3mt1 h LEU 36 CO 1.23 0.01 -0.01 0.07 0.09 0.00 0.00 178.44 179.83 3mt1 h LYS 37 N 0.00 0.00 0.08 1.13 2.10 -1.90 -2.85 116.57 115.13 3mt1 h LYS 37 Ca -0.00 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.30 3mt1 h LYS 37 Cb 0.41 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.71 3mt1 h LYS 37 CO 0.00 0.01 -1.92 0.00 -2.00 0.00 0.00 179.45 175.55 3mt1 s PHE 39 N -2.51 -0.62 -0.00 0.00 2.19 -1.07 -0.60 117.98 115.36 3mt1 s PHE 39 Ca -0.26 1.28 0.03 0.00 0.33 0.00 0.00 56.93 58.32 3mt1 s PHE 39 Cb 0.07 0.23 0.06 0.00 -1.31 0.00 0.00 43.02 42.06 3mt1 s PHE 39 CO 0.71 -0.38 1.02 0.00 1.83 0.00 0.00 175.22 178.40 3mt1 n ALA 40 N 4.71 2.05 -2.29 11.12 0.00 -1.25 -4.26 120.51 130.59 3mt1 n ALA 40 Ca -0.17 -1.19 -0.37 0.00 0.00 0.00 0.00 53.44 51.71 3mt1 n ALA 40 Cb 0.53 -0.52 -0.04 0.00 0.00 0.00 0.00 19.45 19.42 3mt1 n ALA 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mt1 s THR 41 N -0.06 3.60 -0.48 0.00 2.01 -1.26 -4.82 115.64 114.63 3mt1 s THR 41 Ca 0.05 -0.12 0.26 0.00 0.31 0.00 0.00 61.69 62.19 3mt1 s THR 41 Cb 0.05 -4.45 0.28 0.00 0.01 0.00 0.00 72.50 68.39 3mt1 s THR 41 CO -0.02 -1.39 1.76 4.11 -0.69 0.00 0.00 174.62 178.39 3mt1 h TRP 42 N 11.64 0.00 0.00 4.92 5.08 -1.99 -2.99 115.95 132.60 3mt1 h TRP 42 Ca -0.07 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.90 3mt1 h TRP 42 Cb 1.06 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.22 3mt1 h TRP 42 CO 1.16 0.00 0.00 -1.13 -1.28 0.00 0.00 178.44 177.19 3mt1 n SER 43 N -2.41 0.00 0.00 0.11 3.41 -1.26 -1.71 113.62 111.76 3mt1 n SER 43 Ca 0.03 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 3mt1 n SER 43 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 3mt1 n SER 43 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3mt1 n VAL 44 N -0.85 0.68 -0.19 -3.33 0.24 -1.13 -4.71 118.33 109.05 3mt1 n VAL 44 Ca 0.07 -0.71 -0.03 0.00 -2.04 0.00 0.00 64.34 61.63 3mt1 n VAL 44 Cb 0.03 0.67 0.17 0.00 -1.47 0.00 0.00 33.84 33.24 3mt1 n VAL 44 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 3mt1 h PHE 45 N 0.00 0.97 -1.03 6.34 0.04 -1.52 -2.74 116.94 118.99 3mt1 h PHE 45 Ca 0.00 -0.06 0.26 0.00 2.80 0.00 0.00 57.97 60.97 3mt1 h PHE 45 Cb 0.61 -0.29 -0.11 0.00 2.20 0.00 0.00 35.95 38.35 3mt1 h PHE 45 CO 0.00 0.75 0.64 0.38 -0.60 0.00 0.00 178.31 179.48 3mt1 h ASP 46 N 0.94 0.56 0.00 2.17 2.03 -1.83 0.85 116.42 121.13 3mt1 h ASP 46 Ca 0.22 0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.63 3mt1 h ASP 46 Cb 0.20 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 3mt1 h ASP 46 CO -0.02 0.08 0.00 -0.11 -1.03 0.00 0.00 179.24 178.16 3mt1 n LEU 47 N -4.77 0.91 0.00 0.15 0.00 -1.04 -4.35 117.00 107.90 3mt1 n LEU 47 Ca 0.27 -0.46 0.00 0.00 0.00 0.00 0.00 56.01 55.82 3mt1 n LEU 47 Cb 0.84 -0.40 0.00 0.00 0.00 0.00 0.00 43.42 43.85 3mt1 n LEU 47 CO 0.20 0.21 0.00 -2.11 0.00 0.00 0.00 177.39 175.70 3mt1 n ARG 49 N 0.13 0.00 0.25 1.96 1.85 0.29 -4.32 116.66 116.82 3mt1 n ARG 49 Ca 0.00 0.00 0.17 0.00 -1.00 0.00 0.00 57.85 57.02 3mt1 n ARG 49 Cb 0.21 0.00 0.87 0.00 -1.05 0.00 0.00 32.46 32.50 3mt1 n ARG 49 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 3mt1 h ASP 50 N 0.00 0.00 -0.07 2.89 5.19 -1.81 -3.44 116.42 119.18 3mt1 h ASP 50 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3mt1 h ASP 50 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3mt1 h ASP 50 CO 0.00 0.00 0.00 -1.22 -3.12 0.00 0.00 179.24 174.90 3mt1 n TYR 51 N -2.71 0.26 -0.11 4.55 4.01 -1.26 -5.11 117.16 116.79 3mt1 n TYR 51 Ca -0.02 -0.96 0.00 0.00 -0.16 0.00 0.00 57.90 56.77 3mt1 n TYR 51 Cb 0.10 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 3mt1 n TYR 51 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3mt1 n ASP 53 N -1.17 0.20 0.00 7.72 8.00 0.61 -4.33 116.55 127.59 3mt1 n ASP 53 Ca 0.17 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 55.14 3mt1 n ASP 53 Cb 0.70 0.44 0.00 0.00 -0.02 0.00 0.00 41.12 42.24 3mt1 n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mt1 n GLY 54 N 0.44 0.16 3.15 0.44 0.00 -1.24 -1.24 105.19 106.90 3mt1 n GLY 54 Ca 0.00 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 3mt1 n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mt1 s THR 55 N -4.00 0.62 -0.08 2.61 -4.23 0.25 -1.14 115.64 109.67 3mt1 s THR 55 Ca 0.00 -1.87 0.04 0.00 -1.18 0.00 0.00 61.69 58.68 3mt1 s THR 55 Cb 0.00 -1.61 -0.00 0.00 1.34 0.00 0.00 72.50 72.23 3mt1 s THR 55 CO 0.00 -0.87 -0.22 0.28 -0.54 0.00 0.00 174.62 173.27 3mt1 s THR 56 N -3.55 1.87 0.32 3.99 -1.32 0.54 -1.59 115.64 115.91 3mt1 s THR 56 Ca 0.10 -0.92 0.06 0.00 -1.21 0.00 0.00 61.69 59.71 3mt1 s THR 56 Cb 0.05 -1.62 -0.06 0.00 -1.51 0.00 0.00 72.50 69.35 3mt1 s THR 56 CO -0.05 0.52 -0.01 -0.44 -2.21 0.00 0.00 174.62 172.43 3mt1 s SER 57 N 0.28 2.87 -0.02 8.08 0.01 -0.78 -2.30 113.70 121.83 3mt1 s SER 57 Ca -0.14 -1.28 0.19 0.00 1.31 0.00 0.00 55.95 56.03 3mt1 s SER 57 Cb -0.16 -0.19 0.33 0.00 0.21 0.00 0.00 66.02 66.21 3mt1 s SER 57 CO 0.07 -0.44 1.13 -1.54 0.41 0.00 0.00 173.24 172.87 3mt1 n SER 58 N -0.69 0.51 -3.62 2.44 3.41 -1.23 -0.54 113.62 113.90 3mt1 n SER 58 Ca -0.04 -2.01 -0.05 0.00 -0.26 0.00 0.00 58.87 56.51 3mt1 n SER 58 Cb 0.65 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 3mt1 n SER 58 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3mt1 s SER 59 N -1.84 -0.23 0.10 4.04 1.04 -1.24 -4.71 113.70 110.86 3mt1 s SER 59 Ca 0.25 -0.16 -0.23 0.00 0.48 0.00 0.00 55.95 56.30 3mt1 s SER 59 Cb 0.29 0.37 -0.11 0.00 0.10 0.00 0.00 66.02 66.67 3mt1 s SER 59 CO -0.12 -0.64 1.72 0.25 0.98 0.00 0.00 173.24 175.43 3mt1 h LEU 60 N 2.00 -0.13 -1.18 2.42 5.85 -1.96 -1.67 115.31 120.64 3mt1 h LEU 60 Ca -0.22 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.59 3mt1 h LEU 60 Cb 1.22 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.26 3mt1 h LEU 60 CO 0.28 -0.06 0.57 -0.26 -0.34 0.00 0.00 178.44 178.62 3mt1 h PHE 61 N -0.06 1.00 -0.30 1.25 0.04 -1.99 -0.93 116.94 115.94 3mt1 h PHE 61 Ca 0.03 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.70 3mt1 h PHE 61 Cb 0.10 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 37.92 3mt1 h PHE 61 CO -0.13 0.52 -0.32 0.93 -0.60 0.00 0.00 178.31 178.71 3mt1 h GLU 62 N 0.98 0.75 -0.22 1.51 5.08 -1.89 -1.08 114.58 119.71 3mt1 h GLU 62 Ca 0.38 -0.40 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 3mt1 h GLU 62 Cb 0.21 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3mt1 h GLU 62 CO -0.14 1.03 -0.34 -0.24 -1.00 0.00 0.00 179.01 178.32 3mt1 h VAL 63 N 0.51 1.29 -0.07 3.13 3.04 -0.84 0.47 116.25 123.78 3mt1 h VAL 63 Ca 0.05 -1.44 -0.02 0.00 -1.01 0.00 0.00 66.70 64.28 3mt1 h VAL 63 Cb 0.90 1.50 -0.00 0.00 -2.01 0.00 0.00 31.29 31.67 3mt1 h VAL 63 CO 0.08 0.45 -0.05 -0.09 -1.01 0.00 0.00 177.57 176.95 3mt1 h ARG 64 N 0.39 0.16 -0.92 4.17 2.43 -1.12 -1.11 114.38 118.38 3mt1 h ARG 64 Ca 0.05 -0.08 0.11 0.00 -0.81 0.00 0.00 59.98 59.24 3mt1 h ARG 64 Cb 0.79 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.26 3mt1 h ARG 64 CO 0.06 0.57 0.56 1.25 -1.51 0.00 0.00 179.97 180.90 3mt1 h LEU 65 N -0.25 0.82 -0.48 3.80 5.85 -1.04 -0.07 115.31 123.93 3mt1 h LEU 65 Ca 0.01 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3mt1 h LEU 65 Cb 0.53 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3mt1 h LEU 65 CO 0.01 0.45 0.26 1.23 -0.34 0.00 0.00 178.44 180.05 3mt1 h GLY 66 N 0.91 0.72 1.12 3.75 0.00 -0.63 -1.11 103.07 107.82 3mt1 h GLY 66 Ca 0.45 -0.33 -0.15 0.00 0.00 0.00 0.00 47.33 47.29 3mt1 h GLY 66 CO -0.25 0.32 -0.35 -0.09 0.00 0.00 0.00 176.54 176.17 3mt1 h ARG 67 N 0.63 0.95 0.00 4.80 9.65 -0.66 0.17 114.38 129.92 3mt1 h ARG 67 Ca 0.17 -0.48 -0.17 0.00 -1.10 0.00 0.00 59.98 58.40 3mt1 h ARG 67 Cb 0.06 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 3mt1 h ARG 67 CO -0.03 1.14 -1.05 0.93 2.80 0.00 0.00 179.97 183.76 3mt1 h GLU 68 N 0.78 0.00 0.00 0.20 5.08 -0.88 -3.28 114.58 116.48 3mt1 h GLU 68 Ca 0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3mt1 h GLU 68 Cb 0.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 3mt1 h GLU 68 CO 0.09 0.54 -1.25 0.54 -1.00 0.00 0.00 179.01 177.93 3mt1 n ARG 69 N -3.12 0.93 -0.08 2.33 5.12 -0.43 -4.82 116.66 116.59 3mt1 n ARG 69 Ca -0.05 -0.03 -0.18 0.00 -1.93 0.00 0.00 57.85 55.66 3mt1 n ARG 69 Cb 0.85 -1.12 -0.06 0.00 -1.16 0.00 0.00 32.46 30.98 3mt1 n ARG 69 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3mt1 n PHE 70 N -1.80 0.00 -4.24 -1.55 -0.00 -0.89 -4.68 117.46 104.30 3mt1 n PHE 70 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.42 3mt1 n PHE 70 Cb 0.26 -0.59 0.00 0.00 -0.00 0.00 0.00 39.48 39.15 3mt1 n PHE 70 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3mt1 n GLY 71 N 1.98 -0.24 7.00 7.13 0.00 0.55 -4.93 105.19 116.67 3mt1 n GLY 71 Ca -0.32 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3mt1 n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mt1 n LYS 72 N 0.00 0.00 -2.57 1.61 5.02 -1.26 -4.50 118.16 116.47 3mt1 n LYS 72 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3mt1 n LYS 72 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 3mt1 n LYS 72 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3mt1 s GLU 73 N 0.00 4.48 -0.28 1.97 2.02 -0.37 -4.92 118.70 121.60 3mt1 s GLU 73 Ca 0.00 1.59 -0.00 0.00 0.02 0.00 0.00 54.97 56.57 3mt1 s GLU 73 Cb 0.00 -3.42 0.05 0.00 0.10 0.00 0.00 34.13 30.86 3mt1 s GLU 73 CO 0.00 -0.18 -0.04 0.99 0.02 0.00 0.00 175.26 176.04 3mt1 s THR 74 N 1.17 2.74 0.04 3.63 2.01 -1.26 -0.58 115.64 123.39 3mt1 s THR 74 Ca 0.55 -1.38 -0.07 0.00 0.31 0.00 0.00 61.69 61.10 3mt1 s THR 74 Cb -0.25 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 3mt1 s THR 74 CO 0.28 -0.02 0.32 -1.00 -0.69 0.00 0.00 174.62 173.50 3mt1 s HIS 75 N 1.23 3.57 -0.13 4.92 3.76 -0.62 -0.54 115.29 127.49 3mt1 s HIS 75 Ca -0.05 0.63 0.02 0.00 -0.15 0.00 0.00 55.06 55.51 3mt1 s HIS 75 Cb -0.19 -2.04 0.01 0.00 1.11 0.00 0.00 32.58 31.47 3mt1 s HIS 75 CO -0.03 0.57 -0.18 0.00 -0.85 0.00 0.00 174.74 174.25 3mt1 s ALA 76 N -1.36 1.97 0.17 -1.40 0.00 -0.38 -1.87 121.76 118.89 3mt1 s ALA 76 Ca 0.30 -0.92 0.07 0.00 0.00 0.00 0.00 51.96 51.41 3mt1 s ALA 76 Cb -0.13 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 3mt1 s ALA 76 CO 0.18 -0.07 -0.14 -0.47 0.00 0.00 0.00 175.76 175.26 3mt1 s TYR 77 N 0.93 1.55 -0.28 0.00 5.04 0.30 -0.41 117.35 124.48 3mt1 s TYR 77 Ca -0.06 -0.61 -0.24 0.00 -2.44 0.00 0.00 57.07 53.72 3mt1 s TYR 77 Cb -0.15 -0.75 0.13 0.00 0.35 0.00 0.00 41.96 41.54 3mt1 s TYR 77 CO -0.02 0.25 1.06 0.45 -1.34 0.00 0.00 175.55 175.94 3mt1 s SER 78 N -3.07 -0.43 0.45 4.32 0.15 -1.25 -3.54 113.70 110.34 3mt1 s SER 78 Ca 0.18 0.81 0.28 0.00 0.70 0.00 0.00 55.95 57.92 3mt1 s SER 78 Cb -0.01 0.86 1.34 0.00 -1.71 0.00 0.00 66.02 66.50 3mt1 s SER 78 CO 0.04 -0.14 1.72 0.58 1.20 0.00 0.00 173.24 176.64 3mt1 h VAL 79 N 3.69 0.34 -1.57 4.45 2.07 -1.93 -3.33 116.25 119.97 3mt1 h VAL 79 Ca -0.28 -0.06 0.10 0.00 0.82 0.00 0.00 66.70 67.28 3mt1 h VAL 79 Cb 1.18 0.13 -0.25 0.00 -1.52 0.00 0.00 31.29 30.83 3mt1 h VAL 79 CO 0.12 0.03 0.28 0.00 0.02 0.00 0.00 177.57 178.02 3mt1 s ALA 80 N -5.27 -2.25 0.07 1.67 0.00 -1.26 -4.61 121.76 110.10 3mt1 s ALA 80 Ca -0.07 2.23 -0.02 0.00 0.00 0.00 0.00 51.96 54.10 3mt1 s ALA 80 Cb 0.26 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 3mt1 s ALA 80 CO 0.81 -0.45 0.24 0.71 0.00 0.00 0.00 175.76 177.07 3mt1 s TYR 81 N 1.60 3.52 0.27 0.00 1.51 -1.26 -5.10 117.35 117.88 3mt1 s TYR 81 Ca -0.08 0.34 -0.09 0.00 -1.01 0.00 0.00 57.07 56.23 3mt1 s TYR 81 Cb -0.05 -1.83 -0.07 0.00 -0.11 0.00 0.00 41.96 39.91 3mt1 s TYR 81 CO -0.16 0.57 0.59 0.20 -1.11 0.00 0.00 175.55 175.63 3mt1 s GLY 82 N -2.39 2.15 0.27 0.71 0.00 -1.26 -5.00 107.32 101.80 3mt1 s GLY 82 Ca 0.35 -0.31 -0.04 0.00 0.00 0.00 0.00 44.72 44.72 3mt1 s GLY 82 CO 0.26 -0.17 1.92 -0.55 0.00 0.00 0.00 173.10 174.56 3mt1 h ASP 83 N 2.17 1.07 0.45 1.64 3.32 -2.01 -1.84 116.42 121.22 3mt1 h ASP 83 Ca -0.47 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3mt1 h ASP 83 Cb 1.18 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.48 3mt1 h ASP 83 CO 0.68 0.74 0.00 -0.46 -1.72 0.00 0.00 179.24 178.47 3mt1 n ASN 84 N -4.43 0.18 0.00 6.45 6.94 -1.26 -3.52 115.26 119.63 3mt1 n ASN 84 Ca 0.13 0.55 0.00 0.00 -0.02 0.00 0.00 54.58 55.24 3mt1 n ASN 84 Cb 0.08 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 36.91 3mt1 n ASN 84 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 3mt1 n GLU 85 N -1.71 4.18 0.00 -3.83 0.28 -0.89 -4.81 120.64 113.87 3mt1 n GLU 85 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 3mt1 n GLU 85 Cb 0.15 -0.38 0.32 0.00 1.43 0.00 0.00 31.44 32.96 3mt1 n GLU 85 CO 0.00 0.00 0.00 0.97 -0.16 0.00 0.00 177.13 177.94 3mt1 h ILE 86 N 0.00 1.18 0.05 3.84 6.09 -1.39 -2.06 117.51 125.23 3mt1 h ILE 86 Ca 0.00 -0.71 -0.00 0.00 -1.37 0.00 0.00 64.86 62.78 3mt1 h ILE 86 Cb 0.00 0.90 0.00 0.00 0.47 0.00 0.00 36.82 38.19 3mt1 h ILE 86 CO 0.00 0.25 -0.03 0.44 -3.07 0.00 0.00 178.15 175.74 3mt1 h ASP 87 N 0.50 -0.06 -0.26 2.19 3.32 -1.87 -1.43 116.42 118.81 3mt1 h ASP 87 Ca 0.11 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3mt1 h ASP 87 Cb 0.28 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3mt1 h ASP 87 CO 0.01 0.21 0.14 -0.08 -1.72 0.00 0.00 179.24 177.79 3mt1 h GLU 88 N -0.33 0.39 -0.16 3.56 4.81 -1.86 0.11 114.58 121.10 3mt1 h GLU 88 Ca -0.01 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3mt1 h GLU 88 Cb 0.30 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3mt1 h GLU 88 CO 0.01 0.31 0.07 0.28 -0.73 0.00 0.00 179.01 178.95 3mt1 h VAL 89 N 0.40 1.15 -0.44 0.32 2.07 -1.10 -2.91 116.25 115.73 3mt1 h VAL 89 Ca 0.10 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3mt1 h VAL 89 Cb 0.04 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3mt1 h VAL 89 CO -0.01 0.14 0.29 0.58 0.02 0.00 0.00 177.57 178.59 3mt1 h VAL 90 N 0.12 1.11 -0.02 2.57 2.07 -0.73 -1.51 116.25 119.86 3mt1 h VAL 90 Ca 0.05 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3mt1 h VAL 90 Cb 0.16 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3mt1 h VAL 90 CO -0.01 0.11 0.07 0.77 0.02 0.00 0.00 177.57 178.54 3mt1 h SER 91 N 0.60 0.00 0.00 0.57 4.64 -0.85 -2.53 113.55 115.98 3mt1 h SER 91 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3mt1 h SER 91 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3mt1 h SER 91 CO -0.04 0.00 -1.64 1.41 -0.87 0.00 0.00 176.83 175.70 3mt1 n HIS 92 N -3.23 0.00 -3.91 4.77 8.25 -0.61 -5.00 115.22 115.49 3mt1 n HIS 92 Ca -0.02 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.10 3mt1 n HIS 92 Cb 0.14 -0.32 -0.05 0.00 1.12 0.00 0.00 29.99 30.88 3mt1 n HIS 92 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mt1 s ALA 93 N -3.32 3.94 0.01 -1.41 0.00 -0.94 -4.77 121.76 115.26 3mt1 s ALA 93 Ca -0.02 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.20 3mt1 s ALA 93 Cb 0.15 -1.87 -0.25 0.00 0.00 0.00 0.00 23.12 21.15 3mt1 s ALA 93 CO 0.89 0.74 0.89 -0.44 0.00 0.00 0.00 175.76 177.84 3mt1 h ASP 94 N 3.85 0.21 -4.67 0.00 3.32 -1.12 -3.48 116.42 114.52 3mt1 h ASP 94 Ca -0.49 -0.30 -0.22 0.00 0.02 0.00 0.00 57.03 56.04 3mt1 h ASP 94 Cb 1.19 -0.07 -0.22 0.00 0.22 0.00 0.00 39.33 40.45 3mt1 h ASP 94 CO 0.68 1.25 -0.72 -0.54 -1.72 0.00 0.00 179.24 178.20 3mt1 s LYS 95 N -2.63 0.35 -0.02 3.56 1.02 -1.12 -2.91 119.74 117.98 3mt1 s LYS 95 Ca -0.06 -0.55 0.02 0.00 0.02 0.00 0.00 55.97 55.40 3mt1 s LYS 95 Cb 0.08 -0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.32 3mt1 s LYS 95 CO 0.84 0.00 -0.07 -1.50 -0.92 0.00 0.00 175.35 173.69 3mt1 s ILE 96 N -1.15 0.65 -0.08 2.17 2.07 -0.62 -1.25 121.20 122.98 3mt1 s ILE 96 Ca -0.11 -0.29 0.04 0.00 -1.41 0.00 0.00 60.65 58.89 3mt1 s ILE 96 Cb -0.08 -0.59 -0.00 0.00 0.13 0.00 0.00 42.46 41.92 3mt1 s ILE 96 CO -0.00 0.21 -0.22 -0.63 -1.91 0.00 0.00 174.94 172.39 3mt1 s ILE 97 N 0.23 1.83 -0.01 2.00 1.01 0.46 0.95 121.20 127.67 3mt1 s ILE 97 Ca -0.03 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.68 3mt1 s ILE 97 Cb -0.08 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 3mt1 s ILE 97 CO 0.00 0.51 0.18 -0.36 0.00 0.00 0.00 174.94 175.27 3mt1 s PHE 98 N 0.22 3.54 0.16 3.97 0.08 -0.26 -3.84 117.98 121.85 3mt1 s PHE 98 Ca -0.12 0.36 -0.00 0.00 0.12 0.00 0.00 56.93 57.28 3mt1 s PHE 98 Cb -0.16 -1.83 0.01 0.00 -0.57 0.00 0.00 43.02 40.48 3mt1 s PHE 98 CO 0.06 0.65 1.39 -0.97 -0.10 0.00 0.00 175.22 176.25 3mt1 h ASN 99 N 3.86 0.40 -5.62 1.36 -1.24 -1.82 -0.94 115.58 111.59 3mt1 h ASN 99 Ca -0.49 -0.29 -0.27 0.00 0.71 0.00 0.00 56.30 55.95 3mt1 h ASN 99 Cb 1.19 -0.12 -0.13 0.00 0.73 0.00 0.00 38.32 39.98 3mt1 h ASN 99 CO 0.68 1.06 -0.51 -0.94 -1.29 0.00 0.00 177.43 176.44 3mt1 s SER 100 N -6.98 0.51 0.14 1.15 1.04 -1.26 -3.17 113.70 105.13 3mt1 s SER 100 Ca -0.05 -1.43 -0.11 0.00 0.48 0.00 0.00 55.95 54.85 3mt1 s SER 100 Cb 0.10 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.63 3mt1 s SER 100 CO 0.84 -0.95 1.46 0.40 0.98 0.00 0.00 173.24 175.96 3mt1 h ILE 101 N 2.44 1.27 -0.25 -1.02 1.08 -1.96 0.33 117.51 119.40 3mt1 h ILE 101 Ca -0.32 -1.60 -0.00 0.00 -0.39 0.00 0.00 64.86 62.55 3mt1 h ILE 101 Cb 1.25 1.44 -0.01 0.00 -3.07 0.00 0.00 36.82 36.42 3mt1 h ILE 101 CO 0.46 0.53 0.14 0.77 -0.69 0.00 0.00 178.15 179.37 3mt1 h SER 102 N 0.74 0.30 -0.19 1.72 4.64 -1.98 1.23 113.55 120.03 3mt1 h SER 102 Ca 0.05 -0.07 0.03 0.00 -0.47 0.00 0.00 61.79 61.33 3mt1 h SER 102 Cb 1.02 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.01 3mt1 h SER 102 CO 0.10 0.28 0.02 1.56 -0.87 0.00 0.00 176.83 177.92 3mt1 h GLN 103 N 0.30 0.08 -0.12 4.77 1.08 -1.97 0.26 115.11 119.51 3mt1 h GLN 103 Ca 0.09 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.33 3mt1 h GLN 103 Cb 0.04 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.40 3mt1 h GLN 103 CO -0.02 0.06 -0.23 1.25 -0.95 0.00 0.00 178.83 178.94 3mt1 h LEU 104 N 0.09 -0.70 -0.93 1.46 5.85 0.51 -1.82 115.31 119.77 3mt1 h LEU 104 Ca 0.09 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3mt1 h LEU 104 Cb 0.09 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 3mt1 h LEU 104 CO -0.13 -0.28 0.46 -0.33 -0.34 0.00 0.00 178.44 177.82 3mt1 h GLU 105 N -0.30 1.22 0.00 1.25 5.08 0.18 -1.12 114.58 120.89 3mt1 h GLU 105 Ca 0.10 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3mt1 h GLU 105 Cb 0.44 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3mt1 h GLU 105 CO -0.29 0.90 -0.29 -0.09 -1.00 0.00 0.00 179.01 178.24 3mt1 h ARG 106 N 1.22 0.00 -0.00 2.33 2.43 -0.04 -3.36 114.38 116.96 3mt1 h ARG 106 Ca 0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 3mt1 h ARG 106 Cb 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3mt1 h ARG 106 CO -0.05 0.29 -0.00 1.19 -1.51 0.00 0.00 179.97 179.90 3mt1 n PHE 107 N -4.17 0.00 -0.32 2.20 3.72 -0.72 -4.74 117.46 113.42 3mt1 n PHE 107 Ca -0.02 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.42 3mt1 n PHE 107 Cb 0.34 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.10 3mt1 n PHE 107 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mt1 h ALA 108 N 0.01 1.48 -0.99 4.37 0.00 -1.37 0.13 119.26 122.90 3mt1 h ALA 108 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.00 3mt1 h ALA 108 Cb 0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 17.44 3mt1 h ALA 108 CO 0.00 0.37 0.63 0.38 0.00 0.00 0.00 179.25 180.63 3mt1 h ASP 109 N 1.07 0.92 1.16 0.00 2.03 -1.85 -0.94 116.42 118.81 3mt1 h ASP 109 Ca 0.41 0.04 -0.01 0.00 -0.73 0.00 0.00 57.03 56.73 3mt1 h ASP 109 Cb 0.20 -0.15 -0.00 0.00 -0.83 0.00 0.00 39.33 38.55 3mt1 h ASP 109 CO -0.16 0.51 -0.04 0.11 -1.03 0.00 0.00 179.24 178.63 3mt1 h LYS 110 N 1.00 0.00 -0.44 4.15 1.79 -1.08 -3.14 116.57 118.85 3mt1 h LYS 110 Ca 0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 3mt1 h LYS 110 Cb 0.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 3mt1 h LYS 110 CO -0.24 0.04 0.00 0.00 -1.08 0.00 0.00 179.45 178.18 3mt1 n ALA 111 N -2.12 2.45 -1.71 3.86 0.00 -0.44 -4.92 120.51 117.64 3mt1 n ALA 111 Ca 0.01 -1.41 -0.43 0.00 0.00 0.00 0.00 53.44 51.61 3mt1 n ALA 111 Cb 0.37 -0.63 -0.02 0.00 0.00 0.00 0.00 19.45 19.17 3mt1 n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mt1 n ALA 112 N 0.63 1.68 0.00 0.00 0.00 -0.69 -2.96 120.51 119.17 3mt1 n ALA 112 Ca 0.17 0.38 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3mt1 n ALA 112 Cb 0.59 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.70 3mt1 n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mt1 n GLY 113 N 1.79 1.98 3.17 0.00 0.00 -1.26 -5.05 105.19 105.81 3mt1 n GLY 113 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 3mt1 n GLY 113 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mt1 s ILE 114 N -2.06 1.06 0.36 -0.61 -4.36 -1.16 -5.12 121.20 109.31 3mt1 s ILE 114 Ca 0.00 -1.36 -0.29 0.00 -0.26 0.00 0.00 60.65 58.74 3mt1 s ILE 114 Cb 0.00 -1.10 -0.11 0.00 1.25 0.00 0.00 42.46 42.50 3mt1 s ILE 114 CO 0.00 -0.30 1.52 0.00 0.24 0.00 0.00 174.94 176.40 3mt1 s ALA 115 N -1.50 3.62 0.08 2.27 0.00 -1.15 -4.89 121.76 120.20 3mt1 s ALA 115 Ca -0.01 1.58 0.10 0.00 0.00 0.00 0.00 51.96 53.63 3mt1 s ALA 115 Cb -0.09 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 3mt1 s ALA 115 CO 0.02 -1.04 -0.27 1.03 0.00 0.00 0.00 175.76 175.50 3mt1 s ARG 116 N -1.68 1.63 0.28 0.00 0.52 -1.26 -1.59 118.95 116.85 3mt1 s ARG 116 Ca 0.56 -1.21 0.02 0.00 -0.52 0.00 0.00 55.73 54.57 3mt1 s ARG 116 Cb -0.47 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 33.01 3mt1 s ARG 116 CO 0.59 0.49 0.14 0.20 0.02 0.00 0.00 175.30 176.74 3mt1 s GLY 117 N -1.59 1.88 0.03 -3.53 0.00 0.27 -0.66 107.32 103.71 3mt1 s GLY 117 Ca 0.13 -1.79 0.03 0.00 0.00 0.00 0.00 44.72 43.09 3mt1 s GLY 117 CO 0.04 -1.56 -0.08 -2.27 0.00 0.00 0.00 173.10 169.23 3mt1 s LEU 118 N -3.32 2.16 -0.05 0.66 2.96 -0.89 -1.11 118.68 119.10 3mt1 s LEU 118 Ca 0.37 -0.39 -0.22 0.00 -0.22 0.00 0.00 54.13 53.67 3mt1 s LEU 118 Cb 0.06 -0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.41 3mt1 s LEU 118 CO 0.16 -0.07 0.64 -0.60 -1.32 0.00 0.00 176.35 175.16 3mt1 s ARG 119 N -1.03 4.39 -0.08 1.98 3.52 -0.36 -4.15 118.95 123.21 3mt1 s ARG 119 Ca -0.04 0.78 -0.01 0.00 -0.13 0.00 0.00 55.73 56.33 3mt1 s ARG 119 Cb -0.07 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.88 3mt1 s ARG 119 CO 0.00 0.19 -0.03 -0.51 -0.81 0.00 0.00 175.30 174.14 3mt1 s LEU 120 N 0.41 3.38 -0.31 -0.88 1.43 -1.26 -0.95 118.68 120.50 3mt1 s LEU 120 Ca 0.34 0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 53.39 3mt1 s LEU 120 Cb -0.18 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 3mt1 s LEU 120 CO 0.17 0.35 0.17 0.21 0.23 0.00 0.00 176.35 177.48 3mt1 s ASN 121 N -0.75 5.69 -0.31 2.29 3.84 0.11 -4.09 114.94 121.73 3mt1 s ASN 121 Ca 0.11 -0.41 0.05 0.00 0.21 0.00 0.00 52.86 52.82 3mt1 s ASN 121 Cb -0.11 -2.04 0.55 0.00 -0.55 0.00 0.00 41.25 39.09 3mt1 s ASN 121 CO 0.02 -0.17 1.66 -0.81 -2.79 0.00 0.00 177.10 175.00 3mt1 n PRO 122 N 5.02 2.47 0.00 0.43 -0.04 -1.26 -4.41 135.00 137.21 3mt1 n PRO 122 Ca -0.14 -2.36 0.00 0.00 -0.04 0.00 0.00 63.50 60.96 3mt1 n PRO 122 Cb 0.50 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 3mt1 n PRO 122 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3mt1 n GLN 123 N -0.47 0.00 0.00 0.54 3.00 -1.26 -4.94 117.38 114.24 3mt1 n GLN 123 Ca 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 3mt1 n GLN 123 Cb 1.31 -0.03 0.00 0.00 0.00 0.00 0.00 30.24 31.53 3mt1 n GLN 123 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 3mt1 n ARG 140 N -2.17 0.00 -4.53 -1.09 0.00 -1.26 -5.04 116.66 102.57 3mt1 n ARG 140 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.62 3mt1 n ARG 140 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.30 3mt1 n ARG 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3mt1 s LEU 141 N 0.00 1.75 0.00 6.15 1.43 -1.26 -5.07 118.68 121.68 3mt1 s LEU 141 Ca 0.00 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 3mt1 s LEU 141 Cb 0.00 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.50 3mt1 s LEU 141 CO 0.00 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.26 3mt1 n GLY 142 N 3.44 -1.01 3.86 -3.19 0.00 -1.19 -4.24 105.19 102.86 3mt1 n GLY 142 Ca -0.20 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 3mt1 n GLY 142 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mt1 s GLU 143 N -3.83 3.85 0.00 1.61 0.41 -0.13 -4.22 118.70 116.40 3mt1 s GLU 143 Ca 0.00 0.79 0.00 0.00 -0.41 0.00 0.00 54.97 55.35 3mt1 s GLU 143 Cb 0.00 -2.20 0.00 0.00 -1.78 0.00 0.00 34.13 30.15 3mt1 s GLU 143 CO 0.00 -0.25 0.00 -2.67 -0.49 0.00 0.00 175.26 171.85 3mt1 n TRP 144 N -1.68 0.00 -2.58 1.61 -0.00 -1.26 0.08 117.44 113.61 3mt1 n TRP 144 Ca 0.05 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 57.14 3mt1 n TRP 144 Cb 0.54 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.82 3mt1 n TRP 144 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 3mt1 s ASP 145 N -1.72 6.24 0.10 -0.67 -1.08 -1.26 -4.91 116.67 113.37 3mt1 s ASP 145 Ca 0.00 -0.72 -0.23 0.00 -0.52 0.00 0.00 52.55 51.08 3mt1 s ASP 145 Cb 0.00 -2.55 -0.07 0.00 -1.46 0.00 0.00 42.92 38.84 3mt1 s ASP 145 CO 0.00 -1.73 1.39 0.58 0.52 0.00 0.00 175.17 175.93 3mt1 h VAL 146 N 6.18 0.00 -0.83 1.11 2.07 -1.94 -1.27 116.25 121.58 3mt1 h VAL 146 Ca -0.17 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.48 3mt1 h VAL 146 Cb 1.04 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.73 3mt1 h VAL 146 CO 1.30 0.00 0.43 -0.65 0.02 0.00 0.00 177.57 178.67 3mt1 h PRO 147 N -0.21 0.63 -0.85 1.57 0.11 -2.01 0.16 132.00 131.40 3mt1 h PRO 147 Ca 0.07 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.17 3mt1 h PRO 147 Cb 0.39 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 31.31 3mt1 h PRO 147 CO -0.49 0.42 0.55 -0.22 -0.21 0.00 0.00 178.00 178.05 3mt1 h LYS 148 N 0.65 1.06 -0.37 1.05 3.64 -1.84 -3.01 116.57 117.75 3mt1 h LYS 148 Ca 0.44 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.65 3mt1 h LYS 148 Cb 0.56 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 3mt1 h LYS 148 CO -0.33 0.70 -0.18 0.28 -2.27 0.00 0.00 179.45 177.65 3mt1 h VAL 149 N 1.09 1.26 -0.99 2.00 2.07 0.45 -3.12 116.25 119.02 3mt1 h VAL 149 Ca 0.33 -1.24 0.26 0.00 0.82 0.00 0.00 66.70 66.87 3mt1 h VAL 149 Cb -0.03 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 3mt1 h VAL 149 CO -0.10 0.41 0.67 -0.08 0.02 0.00 0.00 177.57 178.49 3mt1 h GLU 150 N 0.62 0.22 0.00 1.57 4.81 -1.24 -0.84 114.58 119.72 3mt1 h GLU 150 Ca 0.10 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3mt1 h GLU 150 Cb 0.65 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 3mt1 h GLU 150 CO 0.05 0.15 -0.08 0.00 -0.73 0.00 0.00 179.01 178.40 3mt1 h ARG 151 N 0.23 0.00 -3.46 1.92 3.08 -1.64 -3.42 114.38 111.09 3mt1 h ARG 151 Ca 0.51 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.85 3mt1 h ARG 151 Cb 1.59 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 31.30 3mt1 h ARG 151 CO -0.14 0.08 -0.15 0.14 -1.07 0.00 0.00 179.97 178.82 3mt1 s VAL 152 N -3.88 4.30 0.00 2.04 -7.23 -0.32 -4.93 120.40 110.39 3mt1 s VAL 152 Ca -0.01 -3.39 0.00 0.00 -1.81 0.00 0.00 61.98 56.77 3mt1 s VAL 152 Cb 0.11 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.34 3mt1 s VAL 152 CO 0.55 -1.01 0.00 -0.90 -0.31 0.00 0.00 175.10 173.43 3mt1 n ASP 154 N 2.91 0.00 -0.05 4.85 5.75 -1.26 -3.57 116.55 125.18 3mt1 n ASP 154 Ca 0.16 0.00 0.01 0.00 -0.01 0.00 0.00 54.79 54.95 3mt1 n ASP 154 Cb 0.38 -0.31 -0.00 0.00 -1.03 0.00 0.00 41.12 40.16 3mt1 n ASP 154 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3mt1 n ARG 155 N -0.43 2.64 -4.24 0.11 1.74 -1.26 -5.04 116.66 110.19 3mt1 n ARG 155 Ca 0.00 -0.33 -0.13 0.00 -0.77 0.00 0.00 57.85 56.61 3mt1 n ARG 155 Cb 0.00 -0.83 -0.10 0.00 -1.02 0.00 0.00 32.46 30.51 3mt1 n ARG 155 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3mt1 s ILE 156 N -0.66 0.81 -0.01 0.55 -5.25 -1.23 -4.79 121.20 110.61 3mt1 s ILE 156 Ca 0.02 -1.99 0.01 0.00 -0.99 0.00 0.00 60.65 57.69 3mt1 s ILE 156 Cb 0.02 -2.01 -0.01 0.00 2.95 0.00 0.00 42.46 43.40 3mt1 s ILE 156 CO 0.05 -0.58 0.02 -3.20 -1.79 0.00 0.00 174.94 169.45 3mt1 n ASN 157 N -0.22 3.88 -2.38 4.36 5.15 0.16 -4.99 115.26 121.22 3mt1 n ASN 157 Ca -0.08 -0.10 -0.02 0.00 -0.60 0.00 0.00 54.58 53.78 3mt1 n ASN 157 Cb 0.62 1.04 0.01 0.00 -0.53 0.00 0.00 39.78 40.92 3mt1 n ASN 157 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3mt1 n GLY 158 N 2.17 0.90 0.00 8.20 0.00 -1.20 -2.59 105.19 112.67 3mt1 n GLY 158 Ca -0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3mt1 n GLY 158 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mt1 n PHE 159 N -0.44 0.00 0.00 1.61 3.72 -0.89 -2.08 117.46 119.38 3mt1 n PHE 159 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3mt1 n PHE 159 Cb 0.36 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 3mt1 n PHE 159 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3mt1 n ILE 161 N 0.00 0.00 -4.94 4.37 -0.00 -0.17 -0.97 119.36 117.65 3mt1 n ILE 161 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 62.75 62.42 3mt1 n ILE 161 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 39.64 39.51 3mt1 n ILE 161 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 3mt1 s HIS 162 N 0.00 2.66 -0.25 1.39 3.76 -1.26 -4.26 115.29 117.33 3mt1 s HIS 162 Ca 0.00 -0.20 0.14 0.00 -0.15 0.00 0.00 55.06 54.85 3mt1 s HIS 162 Cb 0.00 -1.62 0.37 0.00 1.11 0.00 0.00 32.58 32.45 3mt1 s HIS 162 CO 0.00 0.15 1.35 0.27 -0.85 0.00 0.00 174.74 175.66 3mt1 n ASN 163 N 2.34 -0.57 -3.68 1.40 6.94 -1.26 -4.66 115.26 115.78 3mt1 n ASN 163 Ca -0.17 -2.13 -0.22 0.00 -0.02 0.00 0.00 54.58 52.04 3mt1 n ASN 163 Cb 0.52 0.31 -0.08 0.00 -2.36 0.00 0.00 39.78 38.17 3mt1 n ASN 163 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 3mt1 s ASN 164 N -1.77 2.06 0.00 0.53 0.01 -1.26 -5.11 114.94 109.40 3mt1 s ASN 164 Ca 0.13 -1.72 0.00 0.00 -0.71 0.00 0.00 52.86 50.56 3mt1 s ASN 164 Cb 0.35 0.54 0.00 0.00 0.41 0.00 0.00 41.25 42.55 3mt1 s ASN 164 CO -0.09 -1.01 0.00 0.59 -1.51 0.00 0.00 177.10 175.08 3mt1 n ASN 167 N -1.42 0.00 0.14 -1.22 3.02 -1.20 -4.71 115.26 109.88 3mt1 n ASN 167 Ca 0.02 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.50 3mt1 n ASN 167 Cb 0.63 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.77 3mt1 n ASN 167 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3mt1 h LYS 168 N 0.00 -0.42 0.00 3.52 6.56 -1.98 -3.41 116.57 120.84 3mt1 h LYS 168 Ca 0.00 0.03 -0.27 0.00 -1.06 0.00 0.00 60.65 59.35 3mt1 h LYS 168 Cb 0.00 0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.75 3mt1 h LYS 168 CO 0.00 -0.28 -0.10 -0.40 -2.06 0.00 0.00 179.45 176.61 3mt1 n ASP 169 N -4.94 1.58 0.08 0.86 3.85 -1.26 -4.87 116.55 111.84 3mt1 n ASP 169 Ca -0.05 -1.89 -0.19 0.00 -0.71 0.00 0.00 54.79 51.95 3mt1 n ASP 169 Cb 0.17 -0.09 -0.15 0.00 -1.35 0.00 0.00 41.12 39.70 3mt1 n ASP 169 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 3mt1 h PHE 170 N 0.38 0.57 -0.76 2.11 3.57 -2.00 -3.29 116.94 117.53 3mt1 h PHE 170 Ca -0.16 -0.42 0.16 0.00 3.53 0.00 0.00 57.97 61.08 3mt1 h PHE 170 Cb 0.64 -0.02 -0.11 0.00 2.79 0.00 0.00 35.95 39.25 3mt1 h PHE 170 CO 0.00 1.46 0.25 0.78 -2.23 0.00 0.00 178.31 178.57 3mt1 h GLY 171 N 1.28 1.13 0.97 2.40 0.00 -1.99 -0.02 103.07 106.84 3mt1 h GLY 171 Ca -0.26 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 3mt1 h GLY 171 CO 0.18 -0.17 -0.36 1.41 0.00 0.00 0.00 176.54 177.60 3mt1 h LEU 172 N 0.35 -0.86 -0.61 3.11 3.38 -1.99 -1.96 115.31 116.73 3mt1 h LEU 172 Ca 0.43 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.55 3mt1 h LEU 172 Cb 0.72 0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.58 3mt1 h LEU 172 CO -0.47 -0.59 -0.25 0.15 0.09 0.00 0.00 178.44 177.36 3mt1 h PHE 173 N -0.97 -0.65 -0.57 1.13 3.57 -1.45 -0.70 116.94 117.30 3mt1 h PHE 173 Ca -0.09 0.07 0.11 0.00 3.53 0.00 0.00 57.97 61.58 3mt1 h PHE 173 Cb 0.75 0.38 -0.09 0.00 2.79 0.00 0.00 35.95 39.78 3mt1 h PHE 173 CO -0.04 -0.34 0.07 0.22 -2.23 0.00 0.00 178.31 175.98 3mt1 h ASP 174 N -0.09 -0.11 0.00 0.41 3.58 -0.90 0.16 116.42 119.47 3mt1 h ASP 174 Ca 0.27 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.84 3mt1 h ASP 174 Cb 0.52 0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.76 3mt1 h ASP 174 CO -0.67 -0.04 0.00 0.54 -2.88 0.00 0.00 179.24 176.19 3mt1 n ARG 175 N -5.19 0.17 0.00 0.28 1.74 -0.27 -1.77 116.66 111.62 3mt1 n ARG 175 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3mt1 n ARG 175 Cb 0.31 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 3mt1 n ARG 175 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3mt1 n LEU 177 N 0.85 0.00 0.41 0.55 7.94 0.04 -1.08 117.00 125.71 3mt1 n LEU 177 Ca 0.00 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.72 3mt1 n LEU 177 Cb 0.08 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.94 3mt1 n LEU 177 CO 0.00 0.00 0.59 1.23 -1.11 0.00 0.00 177.39 178.10 3mt1 h GLY 178 N 0.00 -1.07 -1.64 -3.96 0.00 -1.61 -2.17 103.07 92.62 3mt1 h GLY 178 Ca 0.00 0.40 0.53 0.00 0.00 0.00 0.00 47.33 48.25 3mt1 h GLY 178 CO 0.00 -0.39 1.31 -2.09 0.00 0.00 0.00 176.54 175.37 3mt1 h GLU 179 N -1.07 0.00 0.22 4.80 4.81 -1.39 0.57 114.58 122.51 3mt1 h GLU 179 Ca -0.10 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.81 3mt1 h GLU 179 Cb 0.80 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.20 3mt1 h GLU 179 CO 0.17 0.00 -1.44 0.82 -0.73 0.00 0.00 179.01 177.83 3mt1 h ILE 180 N 0.00 1.22 -0.35 2.32 2.04 -1.70 -2.99 117.51 118.05 3mt1 h ILE 180 Ca 0.86 -2.61 0.04 0.00 1.00 0.00 0.00 64.86 64.15 3mt1 h ILE 180 Cb 3.48 2.99 -0.04 0.00 -0.74 0.00 0.00 36.82 42.51 3mt1 h ILE 180 CO -0.01 0.80 0.12 -0.33 0.00 0.00 0.00 178.15 178.74 3mt1 h GLU 181 N 0.03 0.27 -0.63 2.37 5.08 -0.31 0.14 114.58 121.52 3mt1 h GLU 181 Ca -0.26 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 3mt1 h GLU 181 Cb 2.05 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 31.21 3mt1 h GLU 181 CO 0.22 0.18 0.30 0.93 -1.00 0.00 0.00 179.01 179.64 3mt1 h GLU 182 N 0.27 0.89 0.02 2.33 4.39 -1.38 0.76 114.58 121.86 3mt1 h GLU 182 Ca 0.16 -0.11 -0.12 0.00 0.34 0.00 0.00 59.36 59.63 3mt1 h GLU 182 Cb 0.12 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 28.62 3mt1 h GLU 182 CO -0.16 0.69 -0.46 0.00 -1.16 0.00 0.00 179.01 177.92 3mt1 h ARG 183 N 0.89 0.29 0.00 2.33 -0.00 -1.35 -3.41 114.38 113.12 3mt1 h ARG 183 Ca 0.22 -0.33 0.00 0.00 -0.50 0.00 0.00 59.98 59.37 3mt1 h ARG 183 Cb 0.09 0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.16 3mt1 h ARG 183 CO -0.03 1.04 0.00 1.19 0.00 0.00 0.00 179.97 182.17 3mt1 n PHE 184 N -4.34 0.00 -0.25 3.04 0.99 0.48 -4.83 117.46 112.55 3mt1 n PHE 184 Ca -0.10 -0.19 0.05 0.00 -0.00 0.00 0.00 57.45 57.20 3mt1 n PHE 184 Cb 0.62 -0.02 0.15 0.00 -1.00 0.00 0.00 39.48 39.23 3mt1 n PHE 184 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 3mt1 h GLY 185 N 0.00 0.83 0.55 1.37 0.00 0.47 0.20 103.07 106.49 3mt1 h GLY 185 Ca 0.00 0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.48 3mt1 h GLY 185 CO 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 176.54 176.29 3mt1 h ALA 186 N 1.69 0.29 -0.59 3.60 0.00 -1.88 -1.92 119.26 120.45 3mt1 h ALA 186 Ca 0.40 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.31 3mt1 h ALA 186 Cb 0.70 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3mt1 h ALA 186 CO -0.64 -0.39 0.06 -0.07 0.00 0.00 0.00 179.25 178.21 3mt1 h LEU 187 N 0.12 0.96 -1.87 0.00 3.38 -1.39 -3.17 115.31 113.34 3mt1 h LEU 187 Ca 0.15 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3mt1 h LEU 187 Cb 0.19 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3mt1 h LEU 187 CO -0.23 1.00 -0.11 0.40 0.09 0.00 0.00 178.44 179.59 3mt1 h ILE 188 N 0.89 0.93 0.00 1.22 2.04 -0.34 -2.07 117.51 120.18 3mt1 h ILE 188 Ca 0.17 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 3mt1 h ILE 188 Cb 0.47 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3mt1 h ILE 188 CO 0.02 0.11 -0.27 0.00 0.00 0.00 0.00 178.15 178.01 3mt1 h ALA 189 N 1.89 1.18 -0.12 1.87 0.00 -1.33 -2.85 119.26 119.91 3mt1 h ALA 189 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3mt1 h ALA 189 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3mt1 h ALA 189 CO 0.01 0.34 0.00 0.54 0.00 0.00 0.00 179.25 180.14 3mt1 n ARG 190 N -3.67 1.97 -4.68 0.00 1.74 -0.78 -4.90 116.66 106.34 3mt1 n ARG 190 Ca -0.01 -1.44 -0.30 0.00 -0.77 0.00 0.00 57.85 55.33 3mt1 n ARG 190 Cb 0.39 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 30.28 3mt1 n ARG 190 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3mt1 s VAL 191 N -1.87 1.48 0.00 1.55 -7.23 -1.07 -5.05 120.40 108.21 3mt1 s VAL 191 Ca 0.34 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 3mt1 s VAL 191 Cb 0.20 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.60 3mt1 s VAL 191 CO 0.30 0.00 0.85 -0.90 -0.31 0.00 0.00 175.10 175.05 3mt1 n ASP 192 N -1.12 1.45 -3.62 4.85 5.68 -1.07 -4.62 116.55 118.10 3mt1 n ASP 192 Ca -0.12 -1.71 -0.14 0.00 -0.50 0.00 0.00 54.79 52.31 3mt1 n ASP 192 Cb 0.67 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.59 3mt1 n ASP 192 CO 0.00 0.00 0.00 -1.66 -1.33 0.00 0.00 177.20 174.21 3mt1 s TRP 193 N -0.71 -0.39 -0.09 2.11 1.48 -1.24 -1.17 118.94 118.94 3mt1 s TRP 193 Ca 0.00 0.50 -0.06 0.00 -1.06 0.00 0.00 56.10 55.48 3mt1 s TRP 193 Cb 0.00 0.28 0.03 0.00 -1.16 0.00 0.00 33.47 32.62 3mt1 s TRP 193 CO 0.00 -0.57 0.22 0.08 -4.06 0.00 0.00 176.95 172.62 3mt1 s VAL 194 N -2.00 -0.02 -0.11 -0.66 1.01 -0.01 -2.09 120.40 116.52 3mt1 s VAL 194 Ca -0.08 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 3mt1 s VAL 194 Cb -0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 3mt1 s VAL 194 CO 0.02 0.03 -0.04 -0.94 0.00 0.00 0.00 175.10 174.16 3mt1 s SER 195 N 0.65 4.80 -0.04 3.32 1.04 -0.14 0.18 113.70 123.51 3mt1 s SER 195 Ca -0.04 -0.05 0.16 0.00 0.48 0.00 0.00 55.95 56.49 3mt1 s SER 195 Cb -0.06 -1.52 0.49 0.00 0.10 0.00 0.00 66.02 65.03 3mt1 s SER 195 CO -0.04 0.27 1.41 0.18 0.98 0.00 0.00 173.24 176.04 3mt1 n LEU 196 N 2.85 3.60 0.00 2.42 4.77 0.31 -1.00 117.00 129.94 3mt1 n LEU 196 Ca -0.18 -2.17 0.00 0.00 -0.03 0.00 0.00 56.01 53.63 3mt1 n LEU 196 Cb 0.53 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3mt1 n LEU 196 CO 0.30 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 3mt1 n GLY 197 N 0.82 -0.45 0.00 -0.72 0.00 -1.26 -4.65 105.19 98.93 3mt1 n GLY 197 Ca 0.18 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3mt1 n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mt1 n GLY 198 N 0.00 5.22 3.17 -0.02 0.00 -1.25 -1.73 105.19 110.57 3mt1 n GLY 198 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3mt1 n GLY 198 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mt1 n GLY 199 N 3.50 2.05 3.53 -0.02 0.00 -1.26 -4.66 105.19 108.33 3mt1 n GLY 199 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3mt1 n GLY 199 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mt1 s ILE 200 N -3.12 4.98 -0.15 -0.61 1.01 -1.26 -3.21 121.20 118.83 3mt1 s ILE 200 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.56 3mt1 s ILE 200 Cb 0.00 -3.41 -0.11 0.00 0.01 0.00 0.00 42.46 38.95 3mt1 s ILE 200 CO 0.00 0.21 3.09 1.41 0.00 0.00 0.00 174.94 179.65 3mt1 n HIS 201 N 5.02 0.57 1.83 3.97 8.25 -1.26 -4.64 115.22 128.96 3mt1 n HIS 201 Ca -0.14 -1.61 0.10 0.00 -0.26 0.00 0.00 57.72 55.81 3mt1 n HIS 201 Cb 0.51 -1.37 0.62 0.00 1.12 0.00 0.00 29.99 30.87 3mt1 n HIS 201 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 3mt1 n PHE 202 N 1.77 0.00 -0.17 4.41 1.16 -1.26 -1.50 117.46 121.87 3mt1 n PHE 202 Ca 0.39 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 56.08 3mt1 n PHE 202 Cb 0.74 0.00 0.28 0.00 -1.61 0.00 0.00 39.48 38.89 3mt1 n PHE 202 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 3mt1 n THR 203 N -0.86 0.85 -2.66 1.97 -2.24 -1.26 -4.91 114.28 105.17 3mt1 n THR 203 Ca 0.16 -0.93 -0.35 0.00 -2.27 0.00 0.00 64.05 60.66 3mt1 n THR 203 Cb 0.07 0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 68.89 3mt1 n THR 203 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3mt1 s GLY 204 N -1.13 2.58 0.32 3.38 0.00 -0.56 -4.94 107.32 106.96 3mt1 s GLY 204 Ca 0.44 0.56 0.09 0.00 0.00 0.00 0.00 44.72 45.81 3mt1 s GLY 204 CO 0.31 0.91 1.71 -0.55 0.00 0.00 0.00 173.10 175.49 3mt1 h ASP 205 N 2.15 0.56 -0.18 1.64 3.32 -1.95 -2.73 116.42 119.23 3mt1 h ASP 205 Ca -0.49 0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3mt1 h ASP 205 Cb 1.20 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3mt1 h ASP 205 CO 0.61 0.04 0.00 0.47 -1.72 0.00 0.00 179.24 178.64 3mt1 n ASP 206 N -4.95 3.28 -4.74 6.45 8.00 -1.26 -5.01 116.55 118.31 3mt1 n ASP 206 Ca 0.27 -2.90 -0.41 0.00 0.71 0.00 0.00 54.79 52.45 3mt1 n ASP 206 Cb 0.76 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 3mt1 n ASP 206 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3mt1 s TYR 207 N -2.60 3.22 -1.23 1.24 5.04 -1.03 -4.90 117.35 117.08 3mt1 s TYR 207 Ca 0.36 1.23 -0.19 0.00 -2.44 0.00 0.00 57.07 56.03 3mt1 s TYR 207 Cb 0.29 -3.62 -0.01 0.00 0.35 0.00 0.00 41.96 38.97 3mt1 s TYR 207 CO 0.07 -1.92 1.88 -0.35 -1.34 0.00 0.00 175.55 173.90 3mt1 n PRO 208 N 2.38 2.49 -0.27 4.97 -0.04 -1.26 -4.74 135.00 138.52 3mt1 n PRO 208 Ca 0.05 -2.80 -0.05 0.00 -0.04 0.00 0.00 63.50 60.66 3mt1 n PRO 208 Cb 0.42 -3.49 0.06 0.00 -0.04 0.00 0.00 33.50 30.46 3mt1 n PRO 208 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3mt1 h VAL 209 N 5.44 1.20 0.28 0.52 2.07 -1.91 -1.31 116.25 122.54 3mt1 h VAL 209 Ca 0.39 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3mt1 h VAL 209 Cb 0.84 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3mt1 h VAL 209 CO 1.49 0.19 -0.13 0.44 0.02 0.00 0.00 177.57 179.58 3mt1 h ASP 210 N 1.02 -0.31 -0.92 0.57 3.32 -1.99 -0.01 116.42 118.09 3mt1 h ASP 210 Ca 0.27 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.30 3mt1 h ASP 210 Cb -0.10 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 3mt1 h ASP 210 CO -0.06 -0.17 0.61 0.00 -1.72 0.00 0.00 179.24 177.90 3mt1 h ALA 211 N 0.28 1.17 -0.18 3.45 0.00 -1.92 -0.23 119.26 121.82 3mt1 h ALA 211 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3mt1 h ALA 211 Cb 0.33 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3mt1 h ALA 211 CO 0.06 0.56 0.12 0.35 0.00 0.00 0.00 179.25 180.35 3mt1 h PHE 212 N 1.24 0.23 -0.34 0.00 3.57 -1.04 -0.91 116.94 119.69 3mt1 h PHE 212 Ca 0.34 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.88 3mt1 h PHE 212 Cb -0.14 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.48 3mt1 h PHE 212 CO -0.01 0.15 0.12 0.77 -2.23 0.00 0.00 178.31 177.11 3mt1 h SER 213 N 0.25 0.14 -0.80 0.41 0.02 -0.69 -1.90 113.55 110.97 3mt1 h SER 213 Ca 0.07 0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.15 3mt1 h SER 213 Cb -0.03 0.02 -0.07 0.00 0.14 0.00 0.00 62.40 62.46 3mt1 h SER 213 CO -0.01 0.11 0.44 0.00 -1.14 0.00 0.00 176.83 176.23 3mt1 h ALA 214 N 1.21 1.14 -0.57 3.77 0.00 -0.44 -0.45 119.26 123.92 3mt1 h ALA 214 Ca 0.15 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3mt1 h ALA 214 Cb 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3mt1 h ALA 214 CO -0.15 0.05 0.02 -0.09 0.00 0.00 0.00 179.25 179.08 3mt1 h ARG 215 N 0.73 0.96 -0.39 0.00 9.65 -0.90 -0.08 114.38 124.35 3mt1 h ARG 215 Ca 0.39 -0.28 -0.12 0.00 -1.10 0.00 0.00 59.98 58.88 3mt1 h ARG 215 Cb 0.39 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 3mt1 h ARG 215 CO -0.26 0.94 -0.24 -0.07 2.80 0.00 0.00 179.97 183.13 3mt1 h LEU 216 N 0.89 0.81 -0.70 3.80 3.38 -0.45 -2.09 115.31 120.96 3mt1 h LEU 216 Ca 0.17 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3mt1 h LEU 216 Cb 0.49 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3mt1 h LEU 216 CO 0.02 1.02 0.28 0.03 0.09 0.00 0.00 178.44 179.88 3mt1 h ARG 217 N 0.69 1.04 -0.53 1.13 3.08 -0.65 -0.56 114.38 118.57 3mt1 h ARG 217 Ca 0.09 -0.19 0.03 0.00 0.07 0.00 0.00 59.98 59.98 3mt1 h ARG 217 Cb 0.76 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 3mt1 h ARG 217 CO 0.06 0.86 0.31 0.00 -1.07 0.00 0.00 179.97 180.13 3mt1 h ALA 218 N 1.13 0.69 -0.36 0.04 0.00 -0.73 0.13 119.26 120.16 3mt1 h ALA 218 Ca 0.23 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 3mt1 h ALA 218 Cb 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3mt1 h ALA 218 CO -0.02 0.00 -0.27 0.35 0.00 0.00 0.00 179.25 179.31 3mt1 h PHE 219 N 0.61 0.86 -0.09 0.00 3.04 -1.19 -2.12 116.94 118.05 3mt1 h PHE 219 Ca 0.22 -0.21 -0.18 0.00 3.98 0.00 0.00 57.97 61.78 3mt1 h PHE 219 Cb 0.06 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 38.37 3mt1 h PHE 219 CO -0.07 0.93 -0.72 1.03 -2.02 0.00 0.00 178.31 177.46 3mt1 h SER 220 N 0.64 0.51 0.03 0.41 0.87 -0.51 -2.49 113.55 113.01 3mt1 h SER 220 Ca 0.08 -0.33 -0.00 0.00 -1.23 0.00 0.00 61.79 60.31 3mt1 h SER 220 Cb 0.79 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3mt1 h SER 220 CO 0.06 1.07 -0.01 0.44 -0.53 0.00 0.00 176.83 177.86 3mt1 h ASP 221 N 0.30 -0.03 -0.12 6.23 5.19 -0.70 0.30 116.42 127.59 3mt1 h ASP 221 Ca -0.03 -0.47 0.04 0.00 -0.62 0.00 0.00 57.03 55.95 3mt1 h ASP 221 Cb 1.30 0.01 -0.07 0.00 0.18 0.00 0.00 39.33 40.75 3mt1 h ASP 221 CO 0.13 0.46 -0.48 -0.09 -3.12 0.00 0.00 179.24 176.14 3mt1 h ARG 222 N -0.53 -0.52 0.00 3.56 2.43 -1.42 -3.02 114.38 114.87 3mt1 h ARG 222 Ca -0.00 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3mt1 h ARG 222 Cb 0.50 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3mt1 h ARG 222 CO 0.01 -0.35 -0.54 0.66 -1.51 0.00 0.00 179.97 178.24 3mt1 n TYR 223 N -5.44 0.12 -3.24 2.20 4.01 -0.94 -4.95 117.16 108.93 3mt1 n TYR 223 Ca -0.05 0.04 -0.20 0.00 -0.16 0.00 0.00 57.90 57.52 3mt1 n TYR 223 Cb 0.37 -0.35 0.05 0.00 -0.31 0.00 0.00 39.34 39.11 3mt1 n TYR 223 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mt1 n GLY 224 N 1.46 -0.34 3.56 2.72 0.00 0.07 -4.61 105.19 108.04 3mt1 n GLY 224 Ca 0.05 0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 3mt1 n GLY 224 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mt1 s VAL 225 N -3.21 3.14 -0.18 1.61 -7.23 -1.06 -4.72 120.40 108.75 3mt1 s VAL 225 Ca 0.41 -1.63 -0.24 0.00 -1.81 0.00 0.00 61.98 58.72 3mt1 s VAL 225 Cb -0.18 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 3mt1 s VAL 225 CO 0.51 -0.07 0.76 -1.58 -0.31 0.00 0.00 175.10 174.41 3mt1 s GLN 226 N -2.71 4.26 -0.10 4.82 2.00 -0.31 -4.69 119.66 122.93 3mt1 s GLN 226 Ca 0.24 0.87 -0.21 0.00 -2.00 0.00 0.00 55.36 54.25 3mt1 s GLN 226 Cb -0.09 -3.58 -0.04 0.00 0.80 0.00 0.00 33.01 30.10 3mt1 s GLN 226 CO 0.14 -0.31 0.63 0.42 -0.50 0.00 0.00 175.29 175.67 3mt1 s ILE 227 N 2.11 5.08 -0.18 -2.34 1.01 -1.26 -0.83 121.20 124.80 3mt1 s ILE 227 Ca 0.35 1.26 -0.05 0.00 0.00 0.00 0.00 60.65 62.21 3mt1 s ILE 227 Cb -0.16 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 3mt1 s ILE 227 CO 0.11 0.25 -0.01 -0.31 0.00 0.00 0.00 174.94 174.98 3mt1 s TYR 228 N 0.92 3.05 -0.08 3.97 2.02 0.13 -1.50 117.35 125.86 3mt1 s TYR 228 Ca 0.33 -0.32 -0.04 0.00 -0.37 0.00 0.00 57.07 56.66 3mt1 s TYR 228 Cb -0.17 -2.02 -0.04 0.00 -0.40 0.00 0.00 41.96 39.34 3mt1 s TYR 228 CO 0.15 -0.10 0.11 -0.51 -1.57 0.00 0.00 175.55 173.63 3mt1 s LEU 229 N 0.62 4.17 -0.55 -1.29 1.43 0.15 -0.53 118.68 122.67 3mt1 s LEU 229 Ca -0.01 0.35 0.06 0.00 -1.03 0.00 0.00 54.13 53.49 3mt1 s LEU 229 Cb -0.14 -2.14 0.34 0.00 0.03 0.00 0.00 46.19 44.28 3mt1 s LEU 229 CO 0.02 0.36 0.93 -0.62 0.23 0.00 0.00 176.35 177.27 3mt1 n GLU 230 N 1.74 2.98 -2.04 1.70 1.02 -0.71 -0.38 120.64 124.95 3mt1 n GLU 230 Ca -0.17 -4.68 -0.42 0.00 -0.02 0.00 0.00 57.16 51.86 3mt1 n GLU 230 Cb 0.54 -2.18 -0.03 0.00 -0.02 0.00 0.00 31.44 29.76 3mt1 n GLU 230 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3mt1 s PRO 231 N -3.36 4.25 0.00 3.49 0.04 -1.14 -3.87 135.00 134.41 3mt1 s PRO 231 Ca 0.48 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.73 3mt1 s PRO 231 Cb 0.29 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.47 3mt1 s PRO 231 CO -0.13 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.73 3mt1 n GLY 232 N 3.73 -0.25 0.23 0.56 0.00 -1.26 -2.33 105.19 105.87 3mt1 n GLY 232 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3mt1 n GLY 232 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3mt1 h GLU 233 N 0.00 0.08 -0.20 1.61 4.57 -1.92 -1.55 114.58 117.18 3mt1 h GLU 233 Ca 0.00 -0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.23 3mt1 h GLU 233 Cb 0.00 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 3mt1 h GLU 233 CO 0.00 0.05 0.18 0.00 -1.18 0.00 0.00 179.01 178.06 3mt1 h ALA 234 N 1.57 1.95 -0.34 2.92 0.00 -1.86 0.40 119.26 123.90 3mt1 h ALA 234 Ca 0.31 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 3mt1 h ALA 234 Cb 0.50 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3mt1 h ALA 234 CO -0.55 -0.28 -0.30 0.77 0.00 0.00 0.00 179.25 178.89 3mt1 h SER 235 N 0.00 0.76 0.00 0.00 0.02 -1.50 -3.38 113.55 109.44 3mt1 h SER 235 Ca 0.09 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3mt1 h SER 235 Cb 0.45 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3mt1 h SER 235 CO -0.00 1.01 0.00 2.30 -1.14 0.00 0.00 176.83 179.00 3mt1 n ILE 236 N -4.08 0.86 -1.66 3.27 -6.64 -0.36 -4.84 119.36 105.91 3mt1 n ILE 236 Ca -0.01 -0.86 -0.43 0.00 -1.77 0.00 0.00 62.75 59.68 3mt1 n ILE 236 Cb 0.47 0.57 -0.01 0.00 -1.44 0.00 0.00 39.64 39.24 3mt1 n ILE 236 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 3mt1 n THR 237 N -0.43 1.96 -3.56 7.28 -2.24 -0.01 -2.85 114.28 114.43 3mt1 n THR 237 Ca 0.00 -0.49 -0.26 0.00 -2.27 0.00 0.00 64.05 61.03 3mt1 n THR 237 Cb 0.28 -1.38 0.02 0.00 -2.10 0.00 0.00 70.33 67.15 3mt1 n THR 237 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3mt1 n LYS 238 N 0.65 -4.96 -0.00 -0.78 5.02 -1.26 -4.84 118.16 111.99 3mt1 n LYS 238 Ca 0.06 0.64 0.02 0.00 -2.02 0.00 0.00 58.31 57.02 3mt1 n LYS 238 Cb 0.35 -5.49 -0.04 0.00 -0.02 0.00 0.00 35.03 29.83 3mt1 n LYS 238 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3mt1 n SER 239 N -2.63 3.59 -4.21 4.39 3.41 -1.13 -4.85 113.62 112.20 3mt1 n SER 239 Ca -0.01 -0.05 -0.22 0.00 -0.26 0.00 0.00 58.87 58.34 3mt1 n SER 239 Cb 0.55 1.21 -0.13 0.00 -0.26 0.00 0.00 64.21 65.58 3mt1 n SER 239 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3mt1 s THR 240 N -2.27 1.38 0.15 6.66 2.01 -1.26 -0.48 115.64 121.82 3mt1 s THR 240 Ca -0.02 -1.26 0.08 0.00 0.31 0.00 0.00 61.69 60.81 3mt1 s THR 240 Cb 0.03 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 3mt1 s THR 240 CO 0.20 -0.03 -0.19 0.42 -0.69 0.00 0.00 174.62 174.33 3mt1 s THR 241 N -1.03 1.77 -0.32 -0.82 -4.23 -0.56 -1.22 115.64 109.23 3mt1 s THR 241 Ca 0.03 -1.81 -0.11 0.00 -1.18 0.00 0.00 61.69 58.62 3mt1 s THR 241 Cb -0.09 -1.75 -0.02 0.00 1.34 0.00 0.00 72.50 71.98 3mt1 s THR 241 CO 0.02 -0.25 0.20 -0.22 -0.54 0.00 0.00 174.62 173.83 3mt1 s LEU 242 N -2.45 4.29 -0.33 4.79 2.96 0.15 -0.85 118.68 127.25 3mt1 s LEU 242 Ca 0.13 -0.43 -0.17 0.00 -0.22 0.00 0.00 54.13 53.44 3mt1 s LEU 242 Cb -0.07 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.53 3mt1 s LEU 242 CO 0.06 -0.20 0.46 -1.61 -1.32 0.00 0.00 176.35 173.74 3mt1 s GLU 243 N 1.68 3.71 0.25 1.98 0.41 -0.62 -0.60 118.70 125.51 3mt1 s GLU 243 Ca 0.06 -0.14 0.09 0.00 -0.41 0.00 0.00 54.97 54.57 3mt1 s GLU 243 Cb -0.17 -3.77 -0.05 0.00 -1.78 0.00 0.00 34.13 28.36 3mt1 s GLU 243 CO 0.09 -0.54 -0.14 0.14 -0.49 0.00 0.00 175.26 174.32 3mt1 s VAL 244 N 2.26 1.97 -0.06 2.63 -7.23 -0.41 -2.38 120.40 117.18 3mt1 s VAL 244 Ca 0.17 -2.25 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 3mt1 s VAL 244 Cb -0.16 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 3mt1 s VAL 244 CO 0.12 -0.45 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.52 3mt1 s THR 245 N -2.82 3.85 0.02 5.32 2.01 -1.26 -2.11 115.64 120.65 3mt1 s THR 245 Ca 0.27 -0.46 -0.30 0.00 0.31 0.00 0.00 61.69 61.50 3mt1 s THR 245 Cb -0.01 -2.60 -0.06 0.00 0.01 0.00 0.00 72.50 69.84 3mt1 s THR 245 CO 0.11 0.57 1.44 -0.69 -0.69 0.00 0.00 174.62 175.36 3mt1 s VAL 246 N -0.86 3.57 -0.05 3.82 1.01 -0.50 -0.97 120.40 126.43 3mt1 s VAL 246 Ca 0.13 0.98 0.16 0.00 0.00 0.00 0.00 61.98 63.25 3mt1 s VAL 246 Cb -0.11 -3.63 -0.24 0.00 0.00 0.00 0.00 36.38 32.40 3mt1 s VAL 246 CO 0.03 0.00 0.29 0.18 0.00 0.00 0.00 175.10 175.60 3mt1 n LEU 247 N 5.33 0.00 -3.53 3.92 4.77 0.37 -1.51 117.00 126.36 3mt1 n LEU 247 Ca 0.13 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.00 3mt1 n LEU 247 Cb 0.43 0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 3mt1 n LEU 247 CO 0.59 0.07 0.64 -0.62 -1.33 0.00 0.00 177.39 176.75 3mt1 s ASP 248 N -4.04 -0.45 -0.05 -1.43 2.15 -1.16 -4.90 116.67 106.78 3mt1 s ASP 248 Ca -0.06 0.34 -0.06 0.00 0.43 0.00 0.00 52.55 53.20 3mt1 s ASP 248 Cb 0.09 0.40 0.01 0.00 -0.30 0.00 0.00 42.92 43.13 3mt1 s ASP 248 CO 0.65 -0.53 0.17 0.28 -0.17 0.00 0.00 175.17 175.58 3mt1 s THR 249 N -1.86 0.02 0.22 1.71 -1.32 -1.26 -1.15 115.64 112.00 3mt1 s THR 249 Ca -0.02 -0.13 -0.23 0.00 -1.21 0.00 0.00 61.69 60.10 3mt1 s THR 249 Cb -0.01 -0.29 0.04 0.00 -1.51 0.00 0.00 72.50 70.73 3mt1 s THR 249 CO -0.00 -0.07 0.81 -1.48 -2.21 0.00 0.00 174.62 171.66 3mt1 s LEU 250 N -0.19 -0.24 -0.23 9.08 0.05 -0.59 -4.99 118.68 121.56 3mt1 s LEU 250 Ca -0.03 -0.50 -0.00 0.00 0.05 0.00 0.00 54.13 53.66 3mt1 s LEU 250 Cb -0.02 2.50 0.06 0.00 -2.05 0.00 0.00 46.19 46.68 3mt1 s LEU 250 CO 0.01 -1.15 -0.02 -0.47 -0.55 0.00 0.00 176.35 174.16 3mt1 s TYR 251 N -3.66 2.08 -0.50 3.48 5.04 -1.26 0.97 117.35 123.50 3mt1 s TYR 251 Ca 0.11 -1.59 0.04 0.00 -2.44 0.00 0.00 57.07 53.19 3mt1 s TYR 251 Cb -0.04 -1.51 0.16 0.00 0.35 0.00 0.00 41.96 40.93 3mt1 s TYR 251 CO 0.04 -0.75 0.37 -0.80 -1.34 0.00 0.00 175.55 173.07 3mt1 s ASN 252 N 1.50 2.78 0.00 4.32 -0.87 -1.26 -4.86 114.94 116.56 3mt1 s ASN 252 Ca -0.03 -3.22 0.00 0.00 -1.57 0.00 0.00 52.86 48.04 3mt1 s ASN 252 Cb -0.18 -0.87 0.00 0.00 -0.02 0.00 0.00 41.25 40.18 3mt1 s ASN 252 CO -0.08 -0.16 0.00 0.61 -2.57 0.00 0.00 177.10 174.90 3mt1 n GLY 253 N 2.71 1.78 3.29 0.66 0.00 -1.26 -4.90 105.19 107.46 3mt1 n GLY 253 Ca 0.24 -0.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 3mt1 n GLY 253 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mt1 s LYS 254 N 0.00 1.20 0.08 1.61 0.00 -1.26 -5.11 119.74 116.26 3mt1 s LYS 254 Ca 0.00 -1.56 -0.31 0.00 0.00 0.00 0.00 55.97 54.10 3mt1 s LYS 254 Cb 0.00 -0.60 -0.08 0.00 0.00 0.00 0.00 37.83 37.15 3mt1 s LYS 254 CO 0.00 -0.02 1.60 -0.80 0.00 0.00 0.00 175.35 176.13 3mt1 s ASN 255 N -3.23 6.63 0.06 0.03 0.01 -1.26 -4.23 114.94 112.95 3mt1 s ASN 255 Ca 0.23 2.47 0.08 0.00 -0.71 0.00 0.00 52.86 54.92 3mt1 s ASN 255 Cb 0.04 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 39.10 3mt1 s ASN 255 CO 0.05 -0.85 -0.19 -0.76 -1.51 0.00 0.00 177.10 173.84 3mt1 s LEU 256 N 2.27 2.60 -0.02 0.60 1.43 0.27 -4.37 118.68 121.47 3mt1 s LEU 256 Ca 0.72 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 3mt1 s LEU 256 Cb -0.40 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.33 3mt1 s LEU 256 CO 0.31 0.23 -0.01 0.00 0.23 0.00 0.00 176.35 177.12 3mt1 s ALA 257 N -0.98 0.28 -0.12 4.21 0.00 -1.26 -1.55 121.76 122.34 3mt1 s ALA 257 Ca 0.15 0.05 -0.03 0.00 0.00 0.00 0.00 51.96 52.13 3mt1 s ALA 257 Cb -0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 3mt1 s ALA 257 CO 0.06 -0.02 -0.02 0.42 0.00 0.00 0.00 175.76 176.21 3mt1 s ILE 258 N 0.57 4.11 0.29 0.00 1.01 -0.30 -1.07 121.20 125.80 3mt1 s ILE 258 Ca -0.06 -0.30 0.11 0.00 0.00 0.00 0.00 60.65 60.40 3mt1 s ILE 258 Cb -0.09 -2.77 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 3mt1 s ILE 258 CO -0.01 0.54 -0.11 0.68 0.00 0.00 0.00 174.94 176.04 3mt1 s VAL 259 N -0.21 2.70 -1.22 2.92 -7.23 -0.59 0.14 120.40 116.91 3mt1 s VAL 259 Ca 0.05 -2.21 -0.08 0.00 -1.81 0.00 0.00 61.98 57.92 3mt1 s VAL 259 Cb -0.13 -2.53 -0.10 0.00 0.56 0.00 0.00 36.38 34.18 3mt1 s VAL 259 CO 0.02 -0.34 2.81 -0.90 -0.31 0.00 0.00 175.10 176.37 3mt1 n ASP 260 N -0.75 7.27 -3.77 4.85 5.68 -0.15 -2.80 116.55 126.88 3mt1 n ASP 260 Ca -0.05 -2.48 -0.07 0.00 -0.50 0.00 0.00 54.79 51.69 3mt1 n ASP 260 Cb 0.60 -1.40 -0.02 0.00 -1.14 0.00 0.00 41.12 39.16 3mt1 n ASP 260 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3mt1 s SER 261 N 2.46 -0.23 -0.09 -1.12 0.15 -1.26 -4.20 113.70 109.40 3mt1 s SER 261 Ca 0.61 -0.65 -0.07 0.00 0.70 0.00 0.00 55.95 56.54 3mt1 s SER 261 Cb 0.18 0.73 0.03 0.00 -1.71 0.00 0.00 66.02 65.24 3mt1 s SER 261 CO -0.04 -1.35 0.24 -0.55 1.20 0.00 0.00 173.24 172.73 3mt1 s SER 262 N -2.94 -0.25 0.38 5.45 0.15 -1.26 -0.10 113.70 115.14 3mt1 s SER 262 Ca 0.12 0.49 0.14 0.00 0.70 0.00 0.00 55.95 57.40 3mt1 s SER 262 Cb -0.06 0.45 0.77 0.00 -1.71 0.00 0.00 66.02 65.47 3mt1 s SER 262 CO 0.07 -0.11 1.83 0.16 1.20 0.00 0.00 173.24 176.39 3mt1 h ILE 263 N 5.20 1.18 -0.36 6.45 3.07 -1.94 -0.87 117.51 130.24 3mt1 h ILE 263 Ca -0.31 -1.27 -0.12 0.00 1.55 0.00 0.00 64.86 64.71 3mt1 h ILE 263 Cb 1.18 1.70 -0.01 0.00 -0.27 0.00 0.00 36.82 39.41 3mt1 h ILE 263 CO 0.37 0.35 -0.26 -0.08 -1.05 0.00 0.00 178.15 177.48 3mt1 h GLU 264 N 0.00 0.72 0.00 0.16 4.81 -1.96 -0.95 114.58 117.37 3mt1 h GLU 264 Ca -0.00 -0.30 -0.23 0.00 -0.13 0.00 0.00 59.36 58.70 3mt1 h GLU 264 Cb 0.67 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 3mt1 h GLU 264 CO 0.05 0.90 -1.26 0.00 -0.73 0.00 0.00 179.01 177.97 3mt1 h ALA 265 N 1.09 0.56 0.00 2.92 0.00 -1.79 -3.39 119.26 118.65 3mt1 h ALA 265 Ca 0.08 -1.08 -0.04 0.00 0.00 0.00 0.00 54.91 53.88 3mt1 h ALA 265 Cb 0.76 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 3mt1 h ALA 265 CO 0.06 1.31 -0.45 0.72 0.00 0.00 0.00 179.25 180.88 3mt1 n HIS 266 N -3.19 0.00 0.00 0.00 8.25 -0.36 -1.44 115.22 118.47 3mt1 n HIS 266 Ca -0.07 -0.70 0.00 0.00 -0.26 0.00 0.00 57.72 56.69 3mt1 n HIS 266 Cb 0.96 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.93 3mt1 n HIS 266 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3mt1 n LEU 268 N -0.56 0.00 -0.10 2.41 7.94 -0.36 -4.88 117.00 121.44 3mt1 n LEU 268 Ca 0.10 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 55.05 3mt1 n LEU 268 Cb 0.77 0.00 0.39 0.00 0.53 0.00 0.00 43.42 45.11 3mt1 n LEU 268 CO -0.01 0.00 1.20 0.44 -1.11 0.00 0.00 177.39 177.90 3mt1 h ASP 269 N 0.00 0.57 -0.74 1.96 5.19 -1.84 -0.84 116.42 120.73 3mt1 h ASP 269 Ca 0.00 -0.00 0.11 0.00 -0.62 0.00 0.00 57.03 56.52 3mt1 h ASP 269 Cb 0.00 -0.13 -0.08 0.00 0.18 0.00 0.00 39.33 39.30 3mt1 h ASP 269 CO 0.00 0.39 0.34 -0.07 -3.12 0.00 0.00 179.24 176.78 3mt1 h LEU 270 N 0.66 0.41 0.15 1.55 3.38 -1.87 0.12 115.31 119.71 3mt1 h LEU 270 Ca 0.24 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 3mt1 h LEU 270 Cb 0.14 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3mt1 h LEU 270 CO -0.07 0.21 -0.07 0.25 0.09 0.00 0.00 178.44 178.85 3mt1 h LEU 271 N 0.55 -0.17 -0.50 1.67 5.85 -1.55 0.11 115.31 121.27 3mt1 h LEU 271 Ca 0.38 -0.37 0.10 0.00 0.84 0.00 0.00 57.88 58.83 3mt1 h LEU 271 Cb 0.48 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.45 3mt1 h LEU 271 CO -0.32 0.39 -0.15 0.40 -0.34 0.00 0.00 178.44 178.43 3mt1 h ILE 272 N -0.86 0.46 -0.64 4.05 1.08 -1.14 -2.77 117.51 117.69 3mt1 h ILE 272 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 3mt1 h ILE 272 Cb 0.53 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 34.74 3mt1 h ILE 272 CO 0.03 0.00 0.00 -1.22 -0.69 0.00 0.00 178.15 176.27 3mt1 n TYR 273 N -5.38 0.86 -3.72 1.37 4.01 0.02 -4.96 117.16 109.37 3mt1 n TYR 273 Ca 0.05 -0.50 -0.31 0.00 -0.16 0.00 0.00 57.90 56.98 3mt1 n TYR 273 Cb 0.28 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.33 3mt1 n TYR 273 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 3mt1 n ARG 274 N 1.35 -1.66 -4.36 -0.72 1.85 -0.12 -5.00 116.66 108.01 3mt1 n ARG 274 Ca 0.21 0.45 -0.25 0.00 -1.00 0.00 0.00 57.85 57.27 3mt1 n ARG 274 Cb 0.58 -4.20 -0.09 0.00 -1.05 0.00 0.00 32.46 27.70 3mt1 n ARG 274 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3mt1 s GLU 275 N -6.08 2.05 0.32 2.89 2.02 0.20 -5.03 118.70 115.07 3mt1 s GLU 275 Ca 0.39 -1.78 0.08 0.00 0.02 0.00 0.00 54.97 53.68 3mt1 s GLU 275 Cb -0.14 -1.90 -0.03 0.00 0.10 0.00 0.00 34.13 32.16 3mt1 s GLU 275 CO 0.86 0.13 0.23 0.95 0.02 0.00 0.00 175.26 177.45 3mt1 s THR 276 N -2.53 3.53 0.94 3.63 -4.23 -1.26 -4.67 115.64 111.05 3mt1 s THR 276 Ca 0.35 -1.49 -0.15 0.00 -1.18 0.00 0.00 61.69 59.22 3mt1 s THR 276 Cb 0.00 -3.15 0.19 0.00 1.34 0.00 0.00 72.50 70.89 3mt1 s THR 276 CO 0.19 -0.21 1.30 0.00 -0.54 0.00 0.00 174.62 175.36 3mt1 s ALA 277 N -2.31 2.34 -0.04 3.99 0.00 -0.46 -5.03 121.76 120.25 3mt1 s ALA 277 Ca 0.38 -1.18 0.07 0.00 0.00 0.00 0.00 51.96 51.23 3mt1 s ALA 277 Cb -0.05 -2.75 -0.02 0.00 0.00 0.00 0.00 23.12 20.30 3mt1 s ALA 277 CO 0.25 -2.33 -0.25 0.15 0.00 0.00 0.00 175.76 173.58 3mt1 s LYS 278 N -5.83 2.32 0.03 0.00 1.02 -1.26 -4.94 119.74 111.07 3mt1 s LYS 278 Ca 0.73 -0.91 0.03 0.00 0.02 0.00 0.00 55.97 55.84 3mt1 s LYS 278 Cb -0.04 -2.11 -0.02 0.00 -0.52 0.00 0.00 37.83 35.14 3mt1 s LYS 278 CO 0.52 0.48 -0.10 0.08 -0.92 0.00 0.00 175.35 175.41 3mt1 s VAL 279 N -0.42 0.79 0.02 3.17 1.01 -1.26 -1.02 120.40 122.70 3mt1 s VAL 279 Ca 0.04 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3mt1 s VAL 279 Cb -0.12 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 3mt1 s VAL 279 CO 0.01 -0.04 -0.17 -0.76 0.00 0.00 0.00 175.10 174.14 3mt1 s LEU 280 N -0.93 2.12 0.68 3.92 1.43 -1.26 -3.32 118.68 121.32 3mt1 s LEU 280 Ca -0.01 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.56 3mt1 s LEU 280 Cb -0.07 -0.79 -0.00 0.00 0.03 0.00 0.00 46.19 45.37 3mt1 s LEU 280 CO 0.01 0.13 1.06 -2.16 0.23 0.00 0.00 176.35 175.61 3mt1 s PRO 281 N -0.90 3.08 -1.16 1.29 0.04 -1.26 -4.99 135.00 131.10 3mt1 s PRO 281 Ca 0.05 0.78 -0.04 0.00 0.04 0.00 0.00 61.00 61.82 3mt1 s PRO 281 Cb -0.08 -2.02 0.24 0.00 0.04 0.00 0.00 34.50 32.69 3mt1 s PRO 281 CO 0.01 -0.95 1.87 -1.71 0.04 0.00 0.00 177.00 176.26 3mt1 n ASN 282 N -3.01 6.86 -3.96 6.66 5.15 -1.21 -4.81 115.26 120.95 3mt1 n ASN 282 Ca 0.07 -3.39 -0.09 0.00 -0.60 0.00 0.00 54.58 50.57 3mt1 n ASN 282 Cb 0.54 -1.30 -0.09 0.00 -0.53 0.00 0.00 39.78 38.40 3mt1 n ASN 282 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3mt1 s GLU 283 N -2.34 0.58 0.00 1.20 2.02 -1.23 -4.65 118.70 114.28 3mt1 s GLU 283 Ca 0.40 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.55 3mt1 s GLU 283 Cb 0.13 0.22 0.00 0.00 0.10 0.00 0.00 34.13 34.58 3mt1 s GLU 283 CO -0.03 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.52 3mt1 n GLY 284 N 0.68 1.11 0.09 -1.39 0.00 -1.26 -3.09 105.19 101.33 3mt1 n GLY 284 Ca -0.18 -2.00 -0.04 0.00 0.00 0.00 0.00 46.02 43.80 3mt1 n GLY 284 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mt1 n SER 285 N 0.00 0.67 -4.54 1.61 3.41 -1.00 -4.59 113.62 109.19 3mt1 n SER 285 Ca 0.00 0.30 -0.42 0.00 -0.26 0.00 0.00 58.87 58.49 3mt1 n SER 285 Cb 0.00 0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 64.22 3mt1 n SER 285 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3mt1 s HIS 286 N -2.79 3.14 -0.11 7.33 3.76 -1.09 -4.95 115.29 120.59 3mt1 s HIS 286 Ca -0.05 0.09 -0.14 0.00 -0.15 0.00 0.00 55.06 54.82 3mt1 s HIS 286 Cb 0.08 -3.07 -0.05 0.00 1.11 0.00 0.00 32.58 30.65 3mt1 s HIS 286 CO 0.82 -0.66 0.34 -1.54 -0.85 0.00 0.00 174.74 172.85 3mt1 s SER 287 N 1.83 6.57 0.00 1.40 1.04 -1.26 -1.00 113.70 122.28 3mt1 s SER 287 Ca 0.20 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.30 3mt1 s SER 287 Cb -0.15 -2.20 0.00 0.00 0.10 0.00 0.00 66.02 63.77 3mt1 s SER 287 CO 0.15 0.17 0.00 -1.22 0.98 0.00 0.00 173.24 173.32 3mt1 n TYR 288 N 2.98 0.00 -3.63 5.02 4.01 -0.43 -4.36 117.16 120.76 3mt1 n TYR 288 Ca -0.12 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.57 3mt1 n TYR 288 Cb 0.52 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.49 3mt1 n TYR 288 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3mt1 s ILE 290 N 3.33 -0.25 0.17 -0.72 1.01 0.13 -1.66 121.20 123.21 3mt1 s ILE 290 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 60.65 60.73 3mt1 s ILE 290 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 3mt1 s ILE 290 CO 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 174.94 174.78 3mt1 s GLY 292 N -2.82 1.62 0.00 0.00 0.00 -0.99 -1.55 107.32 103.58 3mt1 s GLY 292 Ca 0.16 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.46 3mt1 s GLY 292 CO 0.06 -0.02 0.40 1.17 0.00 0.00 0.00 173.10 174.71 3mt1 n LYS 293 N -3.13 0.52 -4.49 2.90 4.81 0.86 -4.72 118.16 114.92 3mt1 n LYS 293 Ca 0.07 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.26 3mt1 n LYS 293 Cb 0.58 -1.25 -0.08 0.00 0.02 0.00 0.00 35.03 34.30 3mt1 n LYS 293 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3mt1 s SER 294 N 0.30 2.65 -0.41 3.14 1.04 -1.26 -5.01 113.70 114.16 3mt1 s SER 294 Ca 0.00 -1.69 0.05 0.00 0.48 0.00 0.00 55.95 54.79 3mt1 s SER 294 Cb 0.00 0.52 0.49 0.00 0.10 0.00 0.00 66.02 67.13 3mt1 s SER 294 CO 0.00 -0.95 1.58 0.00 0.98 0.00 0.00 173.24 174.85 3mt1 s LEU 296 N -3.52 4.38 0.12 0.00 1.02 -1.26 -5.00 118.68 114.42 3mt1 s LEU 296 Ca 0.53 1.10 -0.33 0.00 0.02 0.00 0.00 54.13 55.44 3mt1 s LEU 296 Cb 0.44 -3.17 -0.12 0.00 0.02 0.00 0.00 46.19 43.37 3mt1 s LEU 296 CO 0.02 0.14 1.55 0.00 0.02 0.00 0.00 176.35 178.08 3mt1 h ALA 297 N 3.78 -0.85 0.00 4.21 0.00 -2.04 -2.62 119.26 121.73 3mt1 h ALA 297 Ca -0.49 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 3mt1 h ALA 297 Cb 1.20 1.03 -0.00 0.00 0.00 0.00 0.00 17.79 20.02 3mt1 h ALA 297 CO 0.65 -1.08 -0.02 0.78 0.00 0.00 0.00 179.25 179.59 3mt1 h GLY 298 N -0.53 0.00 -7.11 0.00 0.00 -2.01 -3.42 103.07 90.00 3mt1 h GLY 298 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.22 3mt1 h GLY 298 CO -0.48 0.00 0.44 1.34 0.00 0.00 0.00 176.54 177.84 3mt1 n ASP 299 N -3.52 1.60 -3.51 0.19 -0.08 -0.99 -4.81 116.55 105.43 3mt1 n ASP 299 Ca -0.03 -2.53 -0.15 0.00 -1.51 0.00 0.00 54.79 50.58 3mt1 n ASP 299 Cb 0.11 -1.55 -0.12 0.00 2.34 0.00 0.00 41.12 41.91 3mt1 n ASP 299 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3mt1 s VAL 300 N 14.67 -0.42 0.24 5.18 1.01 -1.26 -2.34 120.40 137.47 3mt1 s VAL 300 Ca 0.77 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.72 3mt1 s VAL 300 Cb -0.01 -0.65 0.11 0.00 0.00 0.00 0.00 36.38 35.83 3mt1 s VAL 300 CO 0.20 -0.09 1.74 -0.26 0.00 0.00 0.00 175.10 176.69 3mt1 h PHE 301 N 8.27 0.97 0.00 5.22 -1.00 -0.43 -3.47 116.94 126.51 3mt1 h PHE 301 Ca -0.17 -0.13 0.00 0.00 2.81 0.00 0.00 57.97 60.48 3mt1 h PHE 301 Cb 1.14 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 40.43 3mt1 h PHE 301 CO 0.20 0.85 0.00 0.41 -1.61 0.00 0.00 178.31 178.16 3mt1 n GLY 302 N -0.64 0.42 2.90 -1.45 0.00 -1.18 -1.36 105.19 103.88 3mt1 n GLY 302 Ca 0.03 -1.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.15 3mt1 n GLY 302 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mt1 s GLU 303 N -2.00 1.48 0.18 1.61 2.12 -1.26 0.21 118.70 121.04 3mt1 s GLU 303 Ca 0.00 -0.37 0.03 0.00 0.36 0.00 0.00 54.97 54.99 3mt1 s GLU 303 Cb 0.00 -1.78 -0.05 0.00 0.26 0.00 0.00 34.13 32.56 3mt1 s GLU 303 CO 0.00 -0.34 -0.04 -0.06 -0.54 0.00 0.00 175.26 174.28 3mt1 s PHE 304 N 1.68 1.33 0.03 5.30 0.08 -0.67 -4.98 117.98 120.74 3mt1 s PHE 304 Ca 0.03 -0.90 0.03 0.00 0.12 0.00 0.00 56.93 56.21 3mt1 s PHE 304 Cb -0.14 -0.74 -0.04 0.00 -0.57 0.00 0.00 43.02 41.54 3mt1 s PHE 304 CO -0.08 -0.06 -0.02 1.03 -0.10 0.00 0.00 175.22 175.99 3mt1 s ARG 305 N -3.84 2.64 0.04 0.44 0.52 -1.26 -1.31 118.95 116.18 3mt1 s ARG 305 Ca 0.22 -0.72 0.01 0.00 -0.52 0.00 0.00 55.73 54.72 3mt1 s ARG 305 Cb 0.05 -2.58 -0.03 0.00 0.52 0.00 0.00 34.95 32.91 3mt1 s ARG 305 CO 0.04 0.59 -0.05 -0.06 0.02 0.00 0.00 175.30 175.84 3mt1 s PHE 306 N -1.13 0.52 -0.02 -0.53 0.08 -0.17 -3.50 117.98 113.24 3mt1 s PHE 306 Ca 0.21 -0.71 -0.23 0.00 0.12 0.00 0.00 56.93 56.32 3mt1 s PHE 306 Cb -0.11 -0.34 -0.21 0.00 -0.57 0.00 0.00 43.02 41.79 3mt1 s PHE 306 CO 0.12 -0.20 1.14 0.00 -0.10 0.00 0.00 175.22 176.18 3mt1 h ALA 307 N 4.00 0.09 -1.90 5.36 0.00 -1.85 -2.59 119.26 122.37 3mt1 h ALA 307 Ca -0.34 -0.43 -0.52 0.00 0.00 0.00 0.00 54.91 53.62 3mt1 h ALA 307 Cb 1.18 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 3mt1 h ALA 307 CO 0.50 0.10 -0.51 -1.83 0.00 0.00 0.00 179.25 177.52 3mt1 s GLU 308 N -3.53 2.54 0.39 0.00 -1.05 -1.26 -4.50 118.70 111.30 3mt1 s GLU 308 Ca -0.15 -1.41 -0.26 0.00 -0.15 0.00 0.00 54.97 53.00 3mt1 s GLU 308 Cb 0.02 -2.32 -0.09 0.00 -0.44 0.00 0.00 34.13 31.31 3mt1 s GLU 308 CO 0.75 0.13 1.24 -2.00 0.95 0.00 0.00 175.26 176.33 3mt1 s GLU 309 N -3.90 4.06 0.16 -4.83 2.12 -1.26 -4.91 118.70 110.15 3mt1 s GLU 309 Ca 0.38 2.02 -0.30 0.00 0.36 0.00 0.00 54.97 57.44 3mt1 s GLU 309 Cb -0.04 -2.77 -0.08 0.00 0.26 0.00 0.00 34.13 31.50 3mt1 s GLU 309 CO 0.24 -0.37 1.18 -0.51 -0.54 0.00 0.00 175.26 175.26 3mt1 s LEU 310 N -2.35 4.44 0.09 2.70 1.43 -1.26 -5.05 118.68 118.69 3mt1 s LEU 310 Ca 0.56 2.17 0.08 0.00 -1.03 0.00 0.00 54.13 55.90 3mt1 s LEU 310 Cb -0.35 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.23 3mt1 s LEU 310 CO 0.45 -0.36 -0.19 -0.54 0.23 0.00 0.00 176.35 175.94 3mt1 s LYS 311 N -0.03 1.06 0.22 1.70 1.02 -1.26 -5.00 119.74 117.45 3mt1 s LYS 311 Ca 0.53 -1.11 -0.32 0.00 0.02 0.00 0.00 55.97 55.09 3mt1 s LYS 311 Cb -0.31 -1.27 -0.14 0.00 -0.52 0.00 0.00 37.83 35.59 3mt1 s LYS 311 CO 0.35 0.29 1.46 0.28 -0.92 0.00 0.00 175.35 176.81 3mt1 n VAL 312 N 1.14 0.65 0.00 3.17 0.31 -1.26 -1.41 118.33 120.94 3mt1 n VAL 312 Ca -0.20 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 3mt1 n VAL 312 Cb 0.54 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 3mt1 n VAL 312 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3mt1 n GLY 313 N 2.53 3.15 3.75 2.92 0.00 -0.57 -5.02 105.19 111.96 3mt1 n GLY 313 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3mt1 n GLY 313 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mt1 s ASP 314 N -1.11 4.96 -0.13 1.61 1.01 -0.50 -4.74 116.67 117.78 3mt1 s ASP 314 Ca 0.00 2.31 -0.07 0.00 0.71 0.00 0.00 52.55 55.50 3mt1 s ASP 314 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 3mt1 s ASP 314 CO 0.00 -1.74 0.13 -0.60 0.21 0.00 0.00 175.17 173.17 3mt1 s ARG 315 N -3.59 3.51 -0.01 8.23 6.06 -1.26 -1.41 118.95 130.48 3mt1 s ARG 315 Ca 0.75 -0.15 0.03 0.00 -2.50 0.00 0.00 55.73 53.86 3mt1 s ARG 315 Cb -0.28 -3.20 -0.00 0.00 0.06 0.00 0.00 34.95 31.52 3mt1 s ARG 315 CO 0.37 0.72 -0.09 0.42 -2.50 0.00 0.00 175.30 174.22 3mt1 s ILE 316 N -0.86 0.77 -0.17 4.11 1.01 -0.90 -5.00 121.20 120.16 3mt1 s ILE 316 Ca 0.14 -0.40 -0.00 0.00 0.00 0.00 0.00 60.65 60.39 3mt1 s ILE 316 Cb -0.12 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.69 3mt1 s ILE 316 CO 0.03 0.23 -0.15 -0.44 0.00 0.00 0.00 174.94 174.61 3mt1 s SER 317 N -0.08 3.59 -0.08 3.58 0.01 -1.26 -1.29 113.70 118.17 3mt1 s SER 317 Ca 0.01 -0.51 -0.21 0.00 1.31 0.00 0.00 55.95 56.55 3mt1 s SER 317 Cb -0.05 -1.56 -0.04 0.00 0.21 0.00 0.00 66.02 64.57 3mt1 s SER 317 CO -0.00 0.04 0.61 -0.36 0.41 0.00 0.00 173.24 173.95 3mt1 s PHE 318 N 1.06 3.56 0.48 2.43 0.08 0.23 -4.59 117.98 121.22 3mt1 s PHE 318 Ca -0.01 1.11 -0.04 0.00 0.12 0.00 0.00 56.93 58.12 3mt1 s PHE 318 Cb -0.14 -2.70 -0.02 0.00 -0.57 0.00 0.00 43.02 39.58 3mt1 s PHE 318 CO -0.04 0.13 0.75 -0.65 -0.10 0.00 0.00 175.22 175.31 3mt1 s GLN 319 N 0.68 3.35 -1.23 0.44 -1.52 -0.19 -0.67 119.66 120.53 3mt1 s GLN 319 Ca 0.33 -0.03 -0.18 0.00 -1.95 0.00 0.00 55.36 53.53 3mt1 s GLN 319 Cb -0.17 -2.43 0.00 0.00 -0.22 0.00 0.00 33.01 30.20 3mt1 s GLN 319 CO 0.15 -0.25 0.67 -3.47 -0.25 0.00 0.00 175.29 172.14 3mt1 n ASP 320 N -2.22 -3.76 -1.18 5.90 2.03 -0.91 -4.51 116.55 111.91 3mt1 n ASP 320 Ca 0.01 -1.07 0.06 0.00 0.52 0.00 0.00 54.79 54.30 3mt1 n ASP 320 Cb 0.56 -2.95 0.28 0.00 -0.72 0.00 0.00 41.12 38.30 3mt1 n ASP 320 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3mt1 n ALA 321 N -4.41 3.39 0.02 -1.67 0.00 -0.36 -4.65 120.51 112.84 3mt1 n ALA 321 Ca -0.15 -2.32 -0.04 0.00 0.00 0.00 0.00 53.44 50.92 3mt1 n ALA 321 Cb 0.61 -0.83 -0.10 0.00 0.00 0.00 0.00 19.45 19.13 3mt1 n ALA 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mt1 h ALA 322 N 2.18 0.67 -2.74 0.00 0.00 -1.84 -3.43 119.26 114.09 3mt1 h ALA 322 Ca 0.04 -1.07 -0.58 0.00 0.00 0.00 0.00 54.91 53.30 3mt1 h ALA 322 Cb 1.63 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 19.62 3mt1 h ALA 322 CO 0.33 1.20 -0.01 0.20 0.00 0.00 0.00 179.25 180.98 3mt1 s GLY 323 N -4.88 2.29 -1.53 0.00 0.00 -1.26 -4.27 107.32 97.67 3mt1 s GLY 323 Ca -0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 44.72 44.47 3mt1 s GLY 323 CO 0.81 1.05 0.48 -1.72 0.00 0.00 0.00 173.10 173.72 3mt1 n TYR 324 N 4.25 -1.79 -0.35 1.90 4.01 0.23 -5.03 117.16 120.38 3mt1 n TYR 324 Ca -0.04 0.42 0.03 0.00 -0.16 0.00 0.00 57.90 58.14 3mt1 n TYR 324 Cb 0.51 -4.13 0.04 0.00 -0.31 0.00 0.00 39.34 35.44 3mt1 n TYR 324 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3mt1 n THR 325 N -4.31 1.18 0.00 -0.72 -2.24 -1.26 -4.60 114.28 102.32 3mt1 n THR 325 Ca -0.12 -1.28 0.00 0.00 -2.27 0.00 0.00 64.05 60.38 3mt1 n THR 325 Cb 0.62 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 3mt1 n THR 325 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3mt1 n VAL 327 N -0.72 0.00 -1.94 2.28 0.31 -1.26 -1.80 118.33 115.19 3mt1 n VAL 327 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3mt1 n VAL 327 Cb 0.37 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 3mt1 n VAL 327 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3mt1 n LYS 328 N 0.64 0.00 -1.93 5.55 2.85 -1.26 -5.09 118.16 118.93 3mt1 n LYS 328 Ca 0.00 -0.46 -0.35 0.00 -1.05 0.00 0.00 58.31 56.45 3mt1 n LYS 328 Cb 0.00 -0.24 0.04 0.00 -0.65 0.00 0.00 35.03 34.18 3mt1 n LYS 328 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 3mt1 s LYS 329 N 0.00 2.89 0.22 -1.58 -2.85 -0.75 -4.85 119.74 112.83 3mt1 s LYS 329 Ca 0.00 1.69 0.01 0.00 -1.00 0.00 0.00 55.97 56.67 3mt1 s LYS 329 Cb 0.00 -1.93 -0.00 0.00 -2.06 0.00 0.00 37.83 33.83 3mt1 s LYS 329 CO 0.00 -1.23 0.27 0.27 0.10 0.00 0.00 175.35 174.75 3mt1 n ASN 330 N -1.86 -0.72 -2.04 0.03 0.23 -0.52 -5.03 115.26 105.34 3mt1 n ASN 330 Ca 0.13 -2.32 -0.22 0.00 -0.53 0.00 0.00 54.58 51.64 3mt1 n ASN 330 Cb 0.50 1.44 0.16 0.00 -2.08 0.00 0.00 39.78 39.80 3mt1 n ASN 330 CO 0.00 0.00 0.00 0.79 -0.93 0.00 0.00 177.26 177.12 3mt1 n TRP 331 N -0.39 2.72 -1.71 -2.53 7.02 -1.26 -4.77 117.44 116.51 3mt1 n TRP 331 Ca 0.02 -2.01 -0.59 0.00 -1.02 0.00 0.00 57.50 53.90 3mt1 n TRP 331 Cb 0.39 -0.93 -0.08 0.00 -2.42 0.00 0.00 31.31 28.27 3mt1 n TRP 331 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3mt1 n PHE 332 N -1.10 1.98 -0.82 -5.99 7.35 -1.26 0.38 117.46 118.01 3mt1 n PHE 332 Ca 0.55 0.64 0.00 0.00 -0.76 0.00 0.00 57.45 57.88 3mt1 n PHE 332 Cb 1.37 -2.42 0.00 0.00 0.35 0.00 0.00 39.48 38.79 3mt1 n PHE 332 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3mt1 n ASN 333 N 5.06 -1.77 -1.16 -2.13 4.13 -1.26 -2.33 115.26 115.80 3mt1 n ASN 333 Ca 0.27 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.39 3mt1 n ASN 333 Cb 0.10 -1.75 -0.06 0.00 -1.54 0.00 0.00 39.78 36.54 3mt1 n ASN 333 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3mt1 n GLY 334 N -1.51 1.30 3.76 7.41 0.00 0.16 -4.99 105.19 111.33 3mt1 n GLY 334 Ca 0.00 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 3mt1 n GLY 334 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mt1 s VAL 335 N -2.55 2.45 0.00 1.61 -7.23 -0.99 -5.11 120.40 108.59 3mt1 s VAL 335 Ca 0.00 0.39 0.00 0.00 -1.81 0.00 0.00 61.98 60.56 3mt1 s VAL 335 Cb 0.00 -3.22 0.00 0.00 0.56 0.00 0.00 36.38 33.72 3mt1 s VAL 335 CO 0.00 0.04 0.00 1.17 -0.31 0.00 0.00 175.10 176.00 3mt1 n LYS 336 N -0.17 1.95 -5.10 4.82 4.81 -1.26 -4.83 118.16 118.37 3mt1 n LYS 336 Ca 0.05 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.20 3mt1 n LYS 336 Cb 0.44 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.33 3mt1 n LYS 336 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3mt1 s PRO 338 N 0.00 2.11 0.82 1.64 0.02 -1.26 -4.87 135.00 133.46 3mt1 s PRO 338 Ca 0.00 -0.79 -0.11 0.00 0.02 0.00 0.00 61.00 60.12 3mt1 s PRO 338 Cb 0.00 -1.87 0.09 0.00 0.02 0.00 0.00 34.50 32.74 3mt1 s PRO 338 CO 0.00 0.38 1.12 0.00 -0.33 0.00 0.00 177.00 178.17 3mt1 s ALA 339 N -0.23 1.93 -0.22 -1.55 0.00 -0.83 -4.61 121.76 116.26 3mt1 s ALA 339 Ca 0.00 0.45 -0.09 0.00 0.00 0.00 0.00 51.96 52.33 3mt1 s ALA 339 Cb -0.11 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 3mt1 s ALA 339 CO 0.02 -2.17 0.11 0.42 0.00 0.00 0.00 175.76 174.14 3mt1 s ILE 340 N -2.72 4.98 0.05 0.00 1.01 -0.55 0.28 121.20 124.25 3mt1 s ILE 340 Ca 0.65 0.04 0.01 0.00 0.00 0.00 0.00 60.65 61.34 3mt1 s ILE 340 Cb -0.20 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 3mt1 s ILE 340 CO 0.55 0.38 -0.05 0.00 0.00 0.00 0.00 174.94 175.83 3mt1 s ALA 341 N 0.93 0.52 -0.05 9.38 0.00 -0.04 -0.94 121.76 131.57 3mt1 s ALA 341 Ca 0.06 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.10 3mt1 s ALA 341 Cb -0.13 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 3mt1 s ALA 341 CO 0.03 -0.20 -0.22 0.42 0.00 0.00 0.00 175.76 175.79 3mt1 s ILE 342 N -2.61 1.81 -0.31 0.00 1.01 -0.36 -0.60 121.20 120.13 3mt1 s ILE 342 Ca -0.02 -0.94 -0.16 0.00 0.00 0.00 0.00 60.65 59.53 3mt1 s ILE 342 Cb -0.02 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 3mt1 s ILE 342 CO -0.04 0.51 0.44 -0.60 0.00 0.00 0.00 174.94 175.25 3mt1 s ARG 343 N -0.15 3.79 0.86 2.79 3.52 0.12 -1.39 118.95 128.48 3mt1 s ARG 343 Ca -0.02 -0.09 -0.12 0.00 -0.13 0.00 0.00 55.73 55.37 3mt1 s ARG 343 Cb -0.12 -3.74 0.10 0.00 -1.56 0.00 0.00 34.95 29.63 3mt1 s ARG 343 CO 0.03 -0.47 1.11 -1.21 -0.81 0.00 0.00 175.30 173.94 3mt1 s GLU 344 N 2.21 1.60 0.37 5.12 0.41 0.65 -1.29 118.70 127.78 3mt1 s GLU 344 Ca 0.16 0.56 0.25 0.00 -0.41 0.00 0.00 54.97 55.54 3mt1 s GLU 344 Cb -0.16 -1.87 1.34 0.00 -1.78 0.00 0.00 34.13 31.66 3mt1 s GLU 344 CO 0.11 -1.94 1.77 -0.07 -0.49 0.00 0.00 175.26 174.65 3mt1 h LEU 345 N -1.32 0.00 -2.50 1.80 3.38 -1.93 -0.86 115.31 113.88 3mt1 h LEU 345 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3mt1 h LEU 345 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3mt1 h LEU 345 CO 0.59 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.22 3mt1 n ASP 346 N -2.38 3.53 0.00 -0.43 5.75 -1.26 -4.94 116.55 116.82 3mt1 n ASP 346 Ca -0.01 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 3mt1 n ASP 346 Cb 0.06 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 3mt1 n ASP 346 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mt1 n GLY 347 N 1.43 2.91 3.77 6.12 0.00 -0.33 -5.06 105.19 114.03 3mt1 n GLY 347 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3mt1 n GLY 347 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mt1 s SER 348 N -1.31 6.50 -0.19 1.61 1.04 -1.26 -4.71 113.70 115.38 3mt1 s SER 348 Ca 0.00 2.89 -0.02 0.00 0.48 0.00 0.00 55.95 59.30 3mt1 s SER 348 Cb 0.00 -2.65 -0.00 0.00 0.10 0.00 0.00 66.02 63.46 3mt1 s SER 348 CO 0.00 -0.76 -0.09 0.68 0.98 0.00 0.00 173.24 174.04 3mt1 s VAL 349 N -0.82 3.03 0.06 5.02 -7.23 -1.26 -0.25 120.40 118.95 3mt1 s VAL 349 Ca 0.54 -0.62 0.07 0.00 -1.81 0.00 0.00 61.98 60.16 3mt1 s VAL 349 Cb -0.44 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 3mt1 s VAL 349 CO 0.56 0.47 -0.20 0.00 -0.31 0.00 0.00 175.10 175.62 3mt1 s ARG 350 N 1.20 1.24 -0.11 4.82 1.70 -0.49 -5.00 118.95 122.32 3mt1 s ARG 350 Ca 0.02 -0.98 -0.21 0.00 -0.47 0.00 0.00 55.73 54.09 3mt1 s ARG 350 Cb -0.14 -1.38 -0.04 0.00 -0.57 0.00 0.00 34.95 32.82 3mt1 s ARG 350 CO -0.03 0.34 0.62 0.99 -1.08 0.00 0.00 175.30 176.14 3mt1 s THR 351 N -0.92 5.08 -0.12 4.99 2.01 -1.26 -1.23 115.64 124.19 3mt1 s THR 351 Ca 0.06 1.25 0.01 0.00 0.31 0.00 0.00 61.69 63.32 3mt1 s THR 351 Cb -0.09 -3.96 -0.24 0.00 0.01 0.00 0.00 72.50 68.22 3mt1 s THR 351 CO 0.02 0.24 0.37 0.52 -0.69 0.00 0.00 174.62 175.08 3mt1 n VAL 352 N 3.97 1.68 -3.45 3.82 0.31 -0.11 -4.97 118.33 119.58 3mt1 n VAL 352 Ca -0.03 -0.70 -0.04 0.00 -0.01 0.00 0.00 64.34 63.57 3mt1 n VAL 352 Cb 0.51 -1.44 -0.06 0.00 -0.91 0.00 0.00 33.84 31.94 3mt1 n VAL 352 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3mt1 s ARG 353 N -2.56 0.44 -0.14 5.55 6.06 -1.00 -4.99 118.95 122.31 3mt1 s ARG 353 Ca -0.18 0.98 -0.06 0.00 -2.50 0.00 0.00 55.73 53.97 3mt1 s ARG 353 Cb 0.07 0.29 -0.04 0.00 0.06 0.00 0.00 34.95 35.33 3mt1 s ARG 353 CO 0.77 -0.44 0.08 -1.21 -2.50 0.00 0.00 175.30 172.00 3mt1 s GLU 354 N 2.72 3.56 -0.14 5.12 2.02 -1.26 -1.48 118.70 129.23 3mt1 s GLU 354 Ca 0.07 -0.28 -0.12 0.00 0.02 0.00 0.00 54.97 54.66 3mt1 s GLU 354 Cb -0.14 -3.11 -0.05 0.00 0.10 0.00 0.00 34.13 30.93 3mt1 s GLU 354 CO -0.17 0.56 0.25 -0.06 0.02 0.00 0.00 175.26 175.86 3mt1 s PHE 355 N -0.43 3.50 0.53 1.61 0.40 -1.26 -5.06 117.98 117.27 3mt1 s PHE 355 Ca 0.10 0.58 0.02 0.00 -0.60 0.00 0.00 56.93 57.02 3mt1 s PHE 355 Cb -0.12 -2.24 0.01 0.00 0.51 0.00 0.00 43.02 41.18 3mt1 s PHE 355 CO 0.02 0.37 0.10 0.95 0.70 0.00 0.00 175.22 177.36 3mt1 s THR 356 N 0.04 1.19 0.19 0.64 -4.23 -1.26 -4.99 115.64 107.21 3mt1 s THR 356 Ca 0.15 -1.88 -0.13 0.00 -1.18 0.00 0.00 61.69 58.65 3mt1 s THR 356 Cb -0.13 -2.07 0.13 0.00 1.34 0.00 0.00 72.50 71.78 3mt1 s THR 356 CO 0.04 0.00 1.68 0.22 -0.54 0.00 0.00 174.62 176.02 3mt1 h TYR 357 N 1.16 -0.02 -0.58 3.99 3.20 -1.99 -2.19 116.97 120.53 3mt1 h TYR 357 Ca -0.42 0.04 0.11 0.00 3.14 0.00 0.00 58.73 61.60 3mt1 h TYR 357 Cb 1.32 0.09 -0.11 0.00 1.54 0.00 0.00 36.73 39.56 3mt1 h TYR 357 CO 1.47 -0.11 -0.26 0.00 -1.64 0.00 0.00 178.16 177.61 3mt1 h ALA 358 N 1.45 0.12 -0.57 1.82 0.00 -1.99 0.28 119.26 120.38 3mt1 h ALA 358 Ca 0.26 0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.47 3mt1 h ALA 358 Cb 0.39 0.65 -0.10 0.00 0.00 0.00 0.00 17.79 18.73 3mt1 h ALA 358 CO -0.42 -0.58 -0.04 -0.44 0.00 0.00 0.00 179.25 177.76 3mt1 h ASP 359 N -0.12 -0.34 0.03 0.00 3.32 -1.80 0.14 116.42 117.67 3mt1 h ASP 359 Ca 0.25 0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.45 3mt1 h ASP 359 Cb 0.52 0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.35 3mt1 h ASP 359 CO -0.65 -0.13 -0.02 0.22 -1.72 0.00 0.00 179.24 176.95 3mt1 h TYR 360 N 0.08 -0.04 -0.98 4.55 3.20 -0.54 -2.60 116.97 120.64 3mt1 h TYR 360 Ca 0.29 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.16 3mt1 h TYR 360 Cb 0.46 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 3mt1 h TYR 360 CO -0.38 0.09 0.63 1.49 -1.64 0.00 0.00 178.16 178.35 3mt1 h GLU 361 N -0.17 1.31 0.00 1.82 4.81 -0.05 -2.09 114.58 120.21 3mt1 h GLU 361 Ca -0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3mt1 h GLU 361 Cb 0.15 -0.29 0.00 0.00 0.63 0.00 0.00 28.75 29.24 3mt1 h GLU 361 CO 0.01 0.88 0.00 1.04 -0.73 0.00 0.00 179.01 180.21 3mt1 n GLN 362 N -4.37 0.21 0.04 1.92 6.02 -0.01 -1.95 117.38 119.24 3mt1 n GLN 362 Ca 0.11 0.10 0.12 0.00 -0.01 0.00 0.00 57.00 57.33 3mt1 n GLN 362 Cb 0.03 -1.50 0.20 0.00 1.02 0.00 0.00 30.24 29.98 3mt1 n GLN 362 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3mt1 n SER 363 N -1.36 0.61 -0.03 1.08 3.41 -0.79 -4.16 113.62 112.40 3mt1 n SER 363 Ca 0.08 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.72 3mt1 n SER 363 Cb 0.20 0.21 -0.12 0.00 -0.26 0.00 0.00 64.21 64.24 3mt1 n SER 363 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3mt1 n LEU 364 N -1.91 0.00 0.00 1.04 4.77 -0.82 -5.12 117.00 114.96 3mt1 n LEU 364 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3mt1 n LEU 364 Cb 0.41 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3mt1 n LEU 364 CO 0.36 0.12 0.00 -1.20 -1.33 0.00 0.00 177.39 175.34