#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pma n VAL 14 N 0.00 0.00 -3.11 12.58 0.24 -1.26 -4.84 118.33 121.94 1pma n VAL 14 Ca 0.00 -1.89 -0.39 0.00 -2.04 0.00 0.00 64.34 60.02 1pma n VAL 14 Cb 0.00 1.03 -0.05 0.00 -1.47 0.00 0.00 33.84 33.35 1pma n VAL 14 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1pma s PHE 15 N -3.17 3.58 0.70 6.34 0.08 -1.26 -4.37 117.98 119.88 1pma s PHE 15 Ca 0.31 1.18 -0.11 0.00 0.12 0.00 0.00 56.93 58.43 1pma s PHE 15 Cb 0.01 -2.74 0.01 0.00 -0.57 0.00 0.00 43.02 39.73 1pma s PHE 15 CO 0.22 0.14 1.06 -1.54 -0.10 0.00 0.00 175.22 175.00 1pma s SER 16 N 0.64 5.35 0.03 1.36 1.04 -0.22 -4.86 113.70 117.04 1pma s SER 16 Ca 0.35 1.61 0.02 0.00 0.48 0.00 0.00 55.95 58.41 1pma s SER 16 Cb -0.17 -2.49 0.09 0.00 0.10 0.00 0.00 66.02 63.55 1pma s SER 16 CO 0.17 -1.47 0.94 -2.65 0.98 0.00 0.00 173.24 171.22 1pma n PRO 17 N -3.14 0.01 -0.35 4.02 -0.02 -1.26 0.09 135.00 134.34 1pma n PRO 17 Ca 0.08 0.41 0.08 0.00 -2.02 0.00 0.00 63.50 62.04 1pma n PRO 17 Cb 0.54 -1.65 0.24 0.00 -0.02 0.00 0.00 33.50 32.61 1pma n PRO 17 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1pma n ASP 18 N -1.46 3.67 -2.26 2.55 5.75 -1.26 -4.98 116.55 118.56 1pma n ASP 18 Ca -0.00 -2.28 -0.08 0.00 -0.01 0.00 0.00 54.79 52.42 1pma n ASP 18 Cb 0.12 -0.40 0.04 0.00 -1.03 0.00 0.00 41.12 39.85 1pma n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pma n GLY 19 N 0.65 -0.01 2.98 6.12 0.00 0.11 -5.07 105.19 109.98 1pma n GLY 19 Ca 0.18 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 1pma n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pma s ARG 20 N -4.36 0.30 -0.66 1.61 0.52 -1.25 -4.88 118.95 110.22 1pma s ARG 20 Ca 0.07 -0.53 -0.15 0.00 -0.52 0.00 0.00 55.73 54.60 1pma s ARG 20 Cb -0.01 0.11 0.16 0.00 0.52 0.00 0.00 34.95 35.73 1pma s ARG 20 CO 0.36 -0.05 0.63 -0.51 0.02 0.00 0.00 175.30 175.75 1pma s LEU 21 N -1.32 6.36 0.24 2.53 2.01 -1.26 -1.06 118.68 126.18 1pma s LEU 21 Ca -0.14 -2.14 -0.05 0.00 0.01 0.00 0.00 54.13 51.81 1pma s LEU 21 Cb -0.09 -2.22 0.38 0.00 0.01 0.00 0.00 46.19 44.27 1pma s LEU 21 CO -0.01 -0.76 1.80 -0.26 1.01 0.00 0.00 176.35 178.13 1pma h PHE 22 N 8.46 0.76 -0.77 0.29 0.04 -1.99 -1.76 116.94 121.98 1pma h PHE 22 Ca -0.13 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.75 1pma h PHE 22 Cb 1.07 -0.23 -0.07 0.00 2.20 0.00 0.00 35.95 38.93 1pma h PHE 22 CO 0.87 0.29 0.44 1.96 -0.60 0.00 0.00 178.31 181.27 1pma h GLN 23 N 0.71 0.74 -0.09 1.51 1.08 -1.92 0.39 115.11 117.53 1pma h GLN 23 Ca 0.38 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.50 1pma h GLN 23 Cb 0.38 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 1pma h GLN 23 CO -0.26 0.49 -0.10 -0.24 -0.95 0.00 0.00 178.83 177.77 1pma h VAL 24 N 0.76 1.13 0.14 -0.54 3.04 -1.76 0.73 116.25 119.76 1pma h VAL 24 Ca 0.36 -0.57 -0.01 0.00 -1.01 0.00 0.00 66.70 65.47 1pma h VAL 24 Cb 0.28 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 1pma h VAL 24 CO -0.22 0.18 -0.07 -0.33 -1.01 0.00 0.00 177.57 176.12 1pma h GLU 25 N 0.13 -0.18 -0.70 4.17 4.39 0.19 -2.24 114.58 120.34 1pma h GLU 25 Ca 0.03 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.77 1pma h GLU 25 Cb 0.27 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 1pma h GLU 25 CO 0.02 0.16 0.47 1.88 -1.16 0.00 0.00 179.01 180.38 1pma h TYR 26 N -0.54 0.84 -0.39 4.33 0.05 -0.32 -0.90 116.97 120.04 1pma h TYR 26 Ca -0.02 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.79 1pma h TYR 26 Cb 0.42 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 1pma h TYR 26 CO 0.04 0.51 0.24 0.00 -1.05 0.00 0.00 178.16 177.89 1pma h ALA 27 N 1.58 0.49 -0.69 3.88 0.00 -0.78 -1.87 119.26 121.86 1pma h ALA 27 Ca 0.27 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.26 1pma h ALA 27 Cb 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1pma h ALA 27 CO -0.07 -0.09 0.46 0.00 0.00 0.00 0.00 179.25 179.54 1pma h ARG 28 N 0.48 0.59 0.08 0.00 3.08 -0.55 -2.32 114.38 115.74 1pma h ARG 28 Ca 0.15 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.18 1pma h ARG 28 Cb -0.01 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 1pma h ARG 28 CO -0.06 0.39 -0.18 0.93 -1.07 0.00 0.00 179.97 179.98 1pma h GLU 29 N 0.61 -0.32 -0.91 0.04 4.39 -0.79 -2.15 114.58 115.45 1pma h GLU 29 Ca 0.31 0.02 0.21 0.00 0.34 0.00 0.00 59.36 60.25 1pma h GLU 29 Cb 0.43 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.09 1pma h GLU 29 CO -0.11 -0.22 0.60 0.00 -1.16 0.00 0.00 179.01 178.13 1pma h ALA 30 N 0.51 2.28 -0.01 3.43 0.00 -1.31 0.38 119.26 124.54 1pma h ALA 30 Ca 0.03 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1pma h ALA 30 Cb 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1pma h ALA 30 CO -0.11 -0.57 -0.58 -0.39 0.00 0.00 0.00 179.25 177.59 1pma h VAL 31 N 0.35 1.41 0.00 0.00 -1.51 -1.34 -2.85 116.25 112.31 1pma h VAL 31 Ca 0.47 -1.99 -0.04 0.00 -1.23 0.00 0.00 66.70 63.90 1pma h VAL 31 Cb 1.25 2.06 -0.01 0.00 -2.13 0.00 0.00 31.29 32.46 1pma h VAL 31 CO -0.16 0.57 -0.21 0.11 -1.23 0.00 0.00 177.57 176.65 1pma h LYS 32 N 0.04 0.00 -0.56 5.19 1.57 0.19 -1.86 116.57 121.14 1pma h LYS 32 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1pma h LYS 32 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1pma h LYS 32 CO 0.08 0.21 0.00 1.63 -0.57 0.00 0.00 179.45 180.80 1pma n LYS 33 N -4.29 1.84 -3.11 3.15 5.02 -1.08 -3.10 118.16 116.60 1pma n LYS 33 Ca -0.02 -0.87 -0.19 0.00 -2.02 0.00 0.00 58.31 55.21 1pma n LYS 33 Cb 0.27 -1.46 0.04 0.00 -0.02 0.00 0.00 35.03 33.86 1pma n LYS 33 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1pma s GLY 34 N -0.61 1.86 0.89 0.72 0.00 -0.70 -4.94 107.32 104.54 1pma s GLY 34 Ca 0.15 -1.94 -0.10 0.00 0.00 0.00 0.00 44.72 42.83 1pma s GLY 34 CO 0.07 -1.65 1.12 -0.45 0.00 0.00 0.00 173.10 172.20 1pma s SER 35 N -4.52 3.27 0.02 1.64 0.15 -1.26 -1.23 113.70 111.77 1pma s SER 35 Ca 0.57 1.99 -0.06 0.00 0.70 0.00 0.00 55.95 59.15 1pma s SER 35 Cb -0.07 -2.51 -0.05 0.00 -1.71 0.00 0.00 66.02 61.69 1pma s SER 35 CO 0.35 -2.84 0.27 0.28 1.20 0.00 0.00 173.24 172.50 1pma s THR 36 N -2.73 5.30 0.22 6.45 -1.32 -1.26 -3.27 115.64 119.01 1pma s THR 36 Ca 0.65 0.13 -0.21 0.00 -1.21 0.00 0.00 61.69 61.06 1pma s THR 36 Cb -0.21 -3.57 0.04 0.00 -1.51 0.00 0.00 72.50 67.25 1pma s THR 36 CO 0.58 0.34 0.63 0.00 -2.21 0.00 0.00 174.62 173.95 1pma s ALA 37 N -1.33 -1.29 0.34 11.08 0.00 -0.34 -1.63 121.76 128.59 1pma s ALA 37 Ca 0.29 0.01 -0.15 0.00 0.00 0.00 0.00 51.96 52.11 1pma s ALA 37 Cb -0.13 0.87 0.03 0.00 0.00 0.00 0.00 23.12 23.89 1pma s ALA 37 CO 0.17 -0.88 0.70 -0.48 0.00 0.00 0.00 175.76 175.26 1pma s LEU 38 N -2.85 0.12 0.09 0.00 2.34 -0.03 -0.13 118.68 118.21 1pma s LEU 38 Ca 0.07 -1.04 -0.22 0.00 0.06 0.00 0.00 54.13 53.00 1pma s LEU 38 Cb -0.03 2.51 0.05 0.00 -0.56 0.00 0.00 46.19 48.17 1pma s LEU 38 CO -0.03 -1.49 0.52 -0.83 -1.06 0.00 0.00 176.35 173.46 1pma s GLY 39 N -3.05 -0.45 -0.25 -3.48 0.00 0.11 -1.07 107.32 99.13 1pma s GLY 39 Ca 0.17 0.46 -0.26 0.00 0.00 0.00 0.00 44.72 45.10 1pma s GLY 39 CO 0.11 0.16 0.77 -3.16 0.00 0.00 0.00 173.10 170.99 1pma s MET 40 N -3.02 0.80 0.38 2.90 0.23 -0.61 -1.53 119.30 118.46 1pma s MET 40 Ca -0.02 0.85 -0.25 0.00 -1.03 0.00 0.00 55.69 55.24 1pma s MET 40 Cb -0.00 0.39 -0.09 0.00 -1.53 0.00 0.00 34.83 33.60 1pma s MET 40 CO -0.06 -0.12 1.07 0.15 -2.03 0.00 0.00 175.02 174.03 1pma s LYS 41 N 0.19 4.22 0.00 3.16 1.02 -0.14 -1.98 119.74 126.20 1pma s LYS 41 Ca -0.01 1.59 0.00 0.00 0.02 0.00 0.00 55.97 57.58 1pma s LYS 41 Cb -0.04 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.61 1pma s LYS 41 CO 0.01 -0.11 0.00 1.97 -0.92 0.00 0.00 175.35 176.29 1pma n PHE 42 N 0.13 -0.00 0.00 3.18 1.16 0.58 -4.81 117.46 117.70 1pma n PHE 42 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.62 1pma n PHE 42 Cb 0.48 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.35 1pma n PHE 42 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1pma n ALA 43 N -3.00 0.00 -2.61 1.98 0.00 0.11 -3.45 120.51 113.54 1pma n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pma n ALA 43 Cb 0.00 0.08 0.04 0.00 0.00 0.00 0.00 19.45 19.57 1pma n ALA 43 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1pma n ASN 44 N -1.03 1.57 -1.40 0.00 4.05 -1.26 -4.98 115.26 112.20 1pma n ASN 44 Ca 0.00 -2.20 -0.00 0.00 0.45 0.00 0.00 54.58 52.83 1pma n ASN 44 Cb 0.00 -0.41 0.00 0.00 1.23 0.00 0.00 39.78 40.61 1pma n ASN 44 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1pma n GLY 45 N -0.22 1.13 2.98 8.20 0.00 -1.22 -0.36 105.19 115.70 1pma n GLY 45 Ca 0.09 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 1pma n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pma s VAL 46 N -2.45 0.31 0.09 1.61 0.11 -0.64 -0.31 120.40 119.12 1pma s VAL 46 Ca 0.04 -0.58 0.07 0.00 -2.93 0.00 0.00 61.98 58.59 1pma s VAL 46 Cb -0.00 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 1pma s VAL 46 CO 0.01 -0.18 -0.19 -1.48 -3.33 0.00 0.00 175.10 169.93 1pma s LEU 47 N -0.81 2.29 -0.01 2.54 2.34 -0.84 -2.01 118.68 122.18 1pma s LEU 47 Ca -0.06 -0.66 0.08 0.00 0.06 0.00 0.00 54.13 53.56 1pma s LEU 47 Cb -0.06 -0.80 -0.02 0.00 -0.56 0.00 0.00 46.19 44.75 1pma s LEU 47 CO -0.00 0.03 -0.26 -0.22 -1.06 0.00 0.00 176.35 174.84 1pma s LEU 48 N -1.83 2.08 -0.14 1.48 2.96 0.45 -1.57 118.68 122.11 1pma s LEU 48 Ca 0.04 -0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 53.39 1pma s LEU 48 Cb -0.10 -1.31 0.06 0.00 0.50 0.00 0.00 46.19 45.34 1pma s LEU 48 CO 0.04 0.30 0.33 -0.51 -1.32 0.00 0.00 176.35 175.18 1pma s ILE 49 N -0.65 -0.11 0.09 6.68 1.10 -0.23 -0.93 121.20 127.15 1pma s ILE 49 Ca 0.10 0.14 0.06 0.00 -0.51 0.00 0.00 60.65 60.45 1pma s ILE 49 Cb -0.10 -0.50 -0.03 0.00 0.15 0.00 0.00 42.46 41.98 1pma s ILE 49 CO -0.00 0.06 -0.17 -0.55 -2.11 0.00 0.00 174.94 172.17 1pma s SER 50 N 1.52 2.05 -0.36 4.50 0.15 0.79 -0.85 113.70 121.50 1pma s SER 50 Ca -0.08 -0.68 -0.25 0.00 0.70 0.00 0.00 55.95 55.65 1pma s SER 50 Cb -0.10 -0.09 0.01 0.00 -1.71 0.00 0.00 66.02 64.14 1pma s SER 50 CO -0.11 -0.04 0.86 -0.62 1.20 0.00 0.00 173.24 174.53 1pma s ASP 51 N -1.94 6.64 -0.90 5.45 -1.08 -0.64 -0.33 116.67 123.87 1pma s ASP 51 Ca 0.03 0.53 -0.16 0.00 -0.52 0.00 0.00 52.55 52.43 1pma s ASP 51 Cb -0.09 -2.43 0.19 0.00 -1.46 0.00 0.00 42.92 39.12 1pma s ASP 51 CO 0.03 -0.78 0.95 -0.75 0.52 0.00 0.00 175.17 175.14 1pma s LYS 52 N 3.27 3.65 -0.26 4.34 2.20 -1.19 -4.66 119.74 127.08 1pma s LYS 52 Ca 0.35 -2.23 -0.19 0.00 -0.36 0.00 0.00 55.97 53.54 1pma s LYS 52 Cb -0.13 -4.65 -0.02 0.00 -1.51 0.00 0.00 37.83 31.52 1pma s LYS 52 CO 0.17 -1.50 0.57 0.15 -0.36 0.00 0.00 175.35 174.38 1pma s LYS 53 N 1.15 4.07 0.20 4.03 1.02 -1.26 -4.06 119.74 124.89 1pma s LYS 53 Ca 0.25 0.41 0.08 0.00 0.02 0.00 0.00 55.97 56.74 1pma s LYS 53 Cb -0.08 -3.66 -0.04 0.00 -0.52 0.00 0.00 37.83 33.54 1pma s LYS 53 CO -0.09 -0.39 -0.01 0.54 -0.92 0.00 0.00 175.35 174.48 1pma s VAL 54 N 2.41 3.59 0.00 3.17 0.11 -1.26 -5.11 120.40 123.30 1pma s VAL 54 Ca 0.23 -1.58 0.00 0.00 -2.93 0.00 0.00 61.98 57.70 1pma s VAL 54 Cb -0.16 -2.83 0.00 0.00 -1.53 0.00 0.00 36.38 31.86 1pma s VAL 54 CO 0.09 -0.18 0.00 -1.14 -3.33 0.00 0.00 175.10 170.54 1pma n ARG 55 N -0.31 0.00 -1.39 1.54 3.00 -1.26 -5.09 116.66 113.15 1pma n ARG 55 Ca -0.09 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.43 1pma n ARG 55 Cb 0.56 0.00 0.09 0.00 0.00 0.00 0.00 32.46 33.11 1pma n ARG 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1pma s SER 56 N -0.06 4.37 0.26 6.15 0.15 -1.26 -4.93 113.70 118.39 1pma s SER 56 Ca 0.00 2.09 0.12 0.00 0.70 0.00 0.00 55.95 58.85 1pma s SER 56 Cb 0.00 -2.56 0.29 0.00 -1.71 0.00 0.00 66.02 62.05 1pma s SER 56 CO 0.00 -2.13 1.56 0.03 1.20 0.00 0.00 173.24 173.90 1pma h ARG 57 N -0.63 0.00 0.00 5.44 3.08 -2.07 -3.17 114.38 117.03 1pma h ARG 57 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1pma h ARG 57 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1pma h ARG 57 CO 0.50 0.64 0.00 1.28 -1.07 0.00 0.00 179.97 181.32 1pma n LEU 58 N -3.63 0.00 -4.75 3.04 4.32 -1.26 -4.75 117.00 109.97 1pma n LEU 58 Ca -0.01 0.43 -0.40 0.00 -0.02 0.00 0.00 56.01 56.01 1pma n LEU 58 Cb 0.66 -0.43 -0.05 0.00 -1.62 0.00 0.00 43.42 41.98 1pma n LEU 58 CO 0.42 -0.31 0.70 -0.63 -1.22 0.00 0.00 177.39 176.35 1pma s ILE 59 N -2.85 3.98 -0.19 -0.08 -1.09 -1.20 -4.93 121.20 114.84 1pma s ILE 59 Ca 0.05 1.89 -0.05 0.00 -2.23 0.00 0.00 60.65 60.31 1pma s ILE 59 Cb 0.05 -4.21 -0.19 0.00 -1.58 0.00 0.00 42.46 36.54 1pma s ILE 59 CO 0.14 0.41 2.91 -0.62 -1.23 0.00 0.00 174.94 176.56 1pma n GLU 60 N 1.75 1.78 0.00 2.79 -0.58 -1.26 -4.94 120.64 120.19 1pma n GLU 60 Ca -0.00 -0.95 0.00 0.00 -0.42 0.00 0.00 57.16 55.79 1pma n GLU 60 Cb 0.47 -2.00 0.00 0.00 -0.57 0.00 0.00 31.44 29.33 1pma n GLU 60 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pma n GLN 61 N 2.79 0.00 -0.28 3.49 -0.00 -1.26 -1.80 117.38 120.33 1pma n GLN 61 Ca 0.38 0.00 0.25 0.00 -0.00 0.00 0.00 57.00 57.63 1pma n GLN 61 Cb 0.65 0.00 0.44 0.00 -0.00 0.00 0.00 30.24 31.33 1pma n GLN 61 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1pma n ASN 62 N 0.97 0.19 0.03 2.61 2.85 -1.26 -1.46 115.26 119.19 1pma n ASN 62 Ca 0.00 1.06 0.21 0.00 -0.11 0.00 0.00 54.58 55.74 1pma n ASN 62 Cb 0.00 -0.52 0.60 0.00 1.24 0.00 0.00 39.78 41.10 1pma n ASN 62 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1pma h SER 63 N 0.00 0.00 -1.20 1.20 0.02 -1.77 -2.52 113.55 109.28 1pma h SER 63 Ca 0.60 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 60.83 1pma h SER 63 Cb 1.77 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 64.17 1pma h SER 63 CO -0.43 0.00 2.10 0.00 -1.14 0.00 0.00 176.83 177.36 1pma n ILE 64 N -3.36 5.06 -2.29 3.27 3.06 -0.54 -4.97 119.36 119.59 1pma n ILE 64 Ca 0.11 -4.25 -0.42 0.00 -2.50 0.00 0.00 62.75 55.69 1pma n ILE 64 Cb 0.93 -1.99 -0.03 0.00 0.54 0.00 0.00 39.64 39.10 1pma n ILE 64 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1pma s GLU 65 N -1.40 4.36 -0.22 9.51 0.41 -0.95 -4.92 118.70 125.48 1pma s GLU 65 Ca 0.54 1.92 0.11 0.00 -0.41 0.00 0.00 54.97 57.13 1pma s GLU 65 Cb 0.21 -3.36 -0.21 0.00 -1.78 0.00 0.00 34.13 28.99 1pma s GLU 65 CO -0.11 -0.40 -0.06 1.63 -0.49 0.00 0.00 175.26 175.83 1pma n LYS 66 N 4.28 0.71 -2.96 1.61 5.02 -1.26 -4.86 118.16 120.70 1pma n LYS 66 Ca 0.11 0.06 -0.41 0.00 -2.02 0.00 0.00 58.31 56.05 1pma n LYS 66 Cb 0.44 -1.51 -0.05 0.00 -0.02 0.00 0.00 35.03 33.90 1pma n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pma s ILE 67 N -2.49 4.90 0.16 -0.18 1.01 -1.26 -3.95 121.20 119.38 1pma s ILE 67 Ca -0.21 1.46 0.11 0.00 0.00 0.00 0.00 60.65 62.01 1pma s ILE 67 Cb 0.07 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1pma s ILE 67 CO 0.71 -0.01 -0.25 -1.10 0.00 0.00 0.00 174.94 174.29 1pma s GLN 68 N 2.50 1.49 -0.15 2.79 -0.21 0.11 -4.96 119.66 121.22 1pma s GLN 68 Ca 0.33 -1.42 -0.13 0.00 0.02 0.00 0.00 55.36 54.16 1pma s GLN 68 Cb -0.16 -1.89 -0.05 0.00 1.00 0.00 0.00 33.01 31.91 1pma s GLN 68 CO 0.09 0.43 0.28 -0.51 -2.12 0.00 0.00 175.29 173.46 1pma s LEU 69 N -2.35 4.27 -0.18 2.90 1.43 -1.26 0.04 118.68 123.53 1pma s LEU 69 Ca 0.17 0.51 0.18 0.00 -1.03 0.00 0.00 54.13 53.97 1pma s LEU 69 Cb -0.09 -2.34 -0.25 0.00 0.03 0.00 0.00 46.19 43.53 1pma s LEU 69 CO 0.08 0.14 0.14 -0.38 0.23 0.00 0.00 176.35 176.57 1pma n ILE 70 N 3.33 1.31 -3.61 -0.59 5.41 0.38 -4.95 119.36 120.64 1pma n ILE 70 Ca -0.13 -0.83 -0.05 0.00 1.00 0.00 0.00 62.75 62.74 1pma n ILE 70 Cb 0.52 -0.47 -0.04 0.00 -0.71 0.00 0.00 39.64 38.94 1pma n ILE 70 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1pma s ASP 71 N -5.47 -0.16 0.47 4.38 2.15 -0.86 -4.79 116.67 112.40 1pma s ASP 71 Ca -0.09 0.13 0.02 0.00 0.43 0.00 0.00 52.55 53.03 1pma s ASP 71 Cb 0.07 0.14 0.09 0.00 -0.30 0.00 0.00 42.92 42.92 1pma s ASP 71 CO 0.83 -0.17 0.92 0.44 -0.17 0.00 0.00 175.17 177.02 1pma h ASP 72 N 2.18 0.00 0.00 -0.34 3.32 -2.00 0.33 116.42 119.92 1pma h ASP 72 Ca -0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1pma h ASP 72 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1pma h ASP 72 CO 0.25 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.55 1pma n TYR 73 N -2.11 0.00 -3.67 4.55 4.02 -1.26 -1.90 117.16 116.79 1pma n TYR 73 Ca -0.00 -0.29 -0.12 0.00 -0.01 0.00 0.00 57.90 57.48 1pma n TYR 73 Cb 0.82 -0.03 -0.12 0.00 -0.02 0.00 0.00 39.34 39.99 1pma n TYR 73 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1pma s VAL 74 N -0.58 -0.40 0.23 -0.72 0.11 0.12 -2.73 120.40 116.42 1pma s VAL 74 Ca 0.00 0.22 0.10 0.00 -2.93 0.00 0.00 61.98 59.37 1pma s VAL 74 Cb 0.00 -0.51 -0.05 0.00 -1.53 0.00 0.00 36.38 34.29 1pma s VAL 74 CO 0.00 0.09 -0.18 0.00 -3.33 0.00 0.00 175.10 171.68 1pma s ALA 75 N 2.26 2.36 0.01 1.54 0.00 -0.01 -0.47 121.76 127.43 1pma s ALA 75 Ca -0.02 -1.72 -0.04 0.00 0.00 0.00 0.00 51.96 50.18 1pma s ALA 75 Cb -0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1pma s ALA 75 CO -0.10 0.21 0.06 0.00 0.00 0.00 0.00 175.76 175.93 1pma s ALA 76 N -2.53 -0.12 0.00 0.00 0.00 0.11 -0.81 121.76 118.40 1pma s ALA 76 Ca 0.24 -0.29 0.06 0.00 0.00 0.00 0.00 51.96 51.98 1pma s ALA 76 Cb -0.04 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 1pma s ALA 76 CO 0.10 -0.17 -0.19 0.54 0.00 0.00 0.00 175.76 176.05 1pma s VAL 77 N -1.26 1.48 0.27 0.00 0.11 -0.67 0.04 120.40 120.37 1pma s VAL 77 Ca -0.14 -0.90 0.07 0.00 -2.93 0.00 0.00 61.98 58.08 1pma s VAL 77 Cb -0.08 -1.25 -0.06 0.00 -1.53 0.00 0.00 36.38 33.46 1pma s VAL 77 CO 0.00 0.34 -0.07 0.28 -3.33 0.00 0.00 175.10 172.32 1pma s THR 78 N -0.55 1.62 -0.14 5.04 -1.32 -1.25 -1.21 115.64 117.83 1pma s THR 78 Ca 0.07 -2.13 -0.09 0.00 -1.21 0.00 0.00 61.69 58.32 1pma s THR 78 Cb -0.08 -2.38 0.05 0.00 -1.51 0.00 0.00 72.50 68.58 1pma s THR 78 CO 0.00 -0.34 0.35 -0.55 -2.21 0.00 0.00 174.62 171.87 1pma s SER 79 N -3.42 -0.41 0.00 8.08 0.15 -0.42 -4.90 113.70 112.78 1pma s SER 79 Ca 0.28 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.68 1pma s SER 79 Cb 0.03 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 65.01 1pma s SER 79 CO 0.11 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1pma n GLY 80 N 3.86 0.52 3.59 9.45 0.00 -1.26 -1.17 105.19 120.18 1pma n GLY 80 Ca -0.21 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1pma n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pma s LEU 81 N 0.00 3.45 0.18 0.99 2.01 0.47 -4.87 118.68 120.91 1pma s LEU 81 Ca 0.00 1.54 -0.21 0.00 0.01 0.00 0.00 54.13 55.47 1pma s LEU 81 Cb 0.00 -3.35 0.11 0.00 0.01 0.00 0.00 46.19 42.96 1pma s LEU 81 CO 0.00 -2.01 1.59 1.62 1.01 0.00 0.00 176.35 178.55 1pma h VAL 82 N 7.10 0.19 -0.13 -1.59 3.04 -1.95 0.99 116.25 123.89 1pma h VAL 82 Ca -0.36 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.38 1pma h VAL 82 Cb 1.22 0.19 -0.06 0.00 -2.01 0.00 0.00 31.29 30.63 1pma h VAL 82 CO 1.02 0.00 -0.23 0.00 -1.01 0.00 0.00 177.57 177.35 1pma h ALA 83 N 0.94 -0.19 -0.26 3.17 0.00 -1.99 -0.27 119.26 120.66 1pma h ALA 83 Ca 0.22 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1pma h ALA 83 Cb 0.55 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1pma h ALA 83 CO -0.64 -0.69 -0.09 -0.44 0.00 0.00 0.00 179.25 177.39 1pma h ASP 84 N -0.29 -0.32 -0.44 0.00 5.19 -1.71 -1.87 116.42 116.98 1pma h ASP 84 Ca 0.10 0.09 0.08 0.00 -0.62 0.00 0.00 57.03 56.68 1pma h ASP 84 Cb 0.44 0.19 -0.07 0.00 0.18 0.00 0.00 39.33 40.07 1pma h ASP 84 CO -0.30 -0.12 0.03 0.00 -3.12 0.00 0.00 179.24 175.73 1pma h ALA 85 N 1.20 0.44 0.67 3.45 0.00 0.19 -0.90 119.26 124.32 1pma h ALA 85 Ca 0.13 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1pma h ALA 85 Cb 0.24 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1pma h ALA 85 CO -0.29 -0.37 -0.48 -0.09 0.00 0.00 0.00 179.25 178.03 1pma h ARG 86 N 0.14 -1.06 -1.00 0.00 2.43 -0.33 -0.71 114.38 113.85 1pma h ARG 86 Ca 0.22 0.07 0.18 0.00 -0.81 0.00 0.00 59.98 59.64 1pma h ARG 86 Cb 0.31 0.24 -0.10 0.00 -0.42 0.00 0.00 29.97 30.00 1pma h ARG 86 CO -0.34 -0.71 0.62 -0.24 -1.51 0.00 0.00 179.97 177.79 1pma h VAL 87 N -1.10 0.75 -0.46 0.20 3.04 -1.12 0.29 116.25 117.84 1pma h VAL 87 Ca -0.09 -0.28 -0.08 0.00 -1.01 0.00 0.00 66.70 65.25 1pma h VAL 87 Cb 0.91 -0.12 -0.02 0.00 -2.01 0.00 0.00 31.29 30.04 1pma h VAL 87 CO 0.05 0.15 -0.05 0.25 -1.01 0.00 0.00 177.57 176.95 1pma h LEU 88 N 0.80 0.77 0.30 3.16 5.85 -0.71 -2.33 115.31 123.16 1pma h LEU 88 Ca 0.56 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 1pma h LEU 88 Cb 0.83 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1pma h LEU 88 CO -0.35 0.86 -0.15 0.58 -0.34 0.00 0.00 178.44 179.05 1pma h VAL 89 N 0.73 0.73 -0.93 1.05 2.07 0.11 -2.14 116.25 117.86 1pma h VAL 89 Ca 0.13 -0.29 0.17 0.00 0.82 0.00 0.00 66.70 67.53 1pma h VAL 89 Cb 0.52 0.89 -0.10 0.00 -1.52 0.00 0.00 31.29 31.07 1pma h VAL 89 CO 0.03 0.06 0.52 0.44 0.02 0.00 0.00 177.57 178.64 1pma h ASP 90 N -0.57 0.64 -0.24 0.57 3.32 -1.14 0.33 116.42 119.34 1pma h ASP 90 Ca -0.04 0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.14 1pma h ASP 90 Cb 0.41 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 1pma h ASP 90 CO 0.07 0.24 0.01 0.15 -1.72 0.00 0.00 179.24 177.99 1pma h PHE 91 N 0.68 0.01 -0.81 4.55 3.57 -1.18 -0.79 116.94 122.97 1pma h PHE 91 Ca 0.52 0.02 0.03 0.00 3.53 0.00 0.00 57.97 62.07 1pma h PHE 91 Cb 0.79 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.51 1pma h PHE 91 CO -0.05 -0.02 0.53 0.00 -2.23 0.00 0.00 178.31 176.53 1pma h ALA 92 N 1.20 1.50 0.28 2.41 0.00 0.19 0.11 119.26 124.95 1pma h ALA 92 Ca 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1pma h ALA 92 Cb 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1pma h ALA 92 CO -0.18 0.43 -0.14 0.00 0.00 0.00 0.00 179.25 179.36 1pma h ARG 93 N 1.01 -0.37 -0.26 0.00 3.08 0.55 0.39 114.38 118.78 1pma h ARG 93 Ca 0.32 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.34 1pma h ARG 93 Cb 0.01 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1pma h ARG 93 CO -0.09 -0.19 -0.03 -0.84 -1.07 0.00 0.00 179.97 177.75 1pma h ILE 94 N -0.46 1.27 -0.97 2.04 3.07 -1.09 -2.16 117.51 119.21 1pma h ILE 94 Ca -0.04 -1.00 0.17 0.00 1.55 0.00 0.00 64.86 65.55 1pma h ILE 94 Cb 0.34 1.41 -0.09 0.00 -0.27 0.00 0.00 36.82 38.22 1pma h ILE 94 CO 0.06 0.31 0.61 -1.28 -1.05 0.00 0.00 178.15 176.81 1pma h SER 95 N 0.23 0.72 0.19 2.16 0.87 -0.66 0.35 113.55 117.41 1pma h SER 95 Ca 0.07 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1pma h SER 95 Cb 0.48 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1pma h SER 95 CO 0.02 0.30 -0.09 0.00 -0.53 0.00 0.00 176.83 176.53 1pma h ALA 96 N 1.61 -0.26 -0.84 6.23 0.00 -0.49 -2.34 119.26 123.17 1pma h ALA 96 Ca 0.53 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.49 1pma h ALA 96 Cb 0.86 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 1pma h ALA 96 CO -0.29 -0.62 0.45 1.96 0.00 0.00 0.00 179.25 180.75 1pma h GLN 97 N -0.31 0.66 0.06 0.00 1.08 0.21 -2.04 115.11 114.76 1pma h GLN 97 Ca -0.03 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1pma h GLN 97 Cb 0.24 -0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 27.47 1pma h GLN 97 CO 0.04 0.44 -0.48 1.96 -0.95 0.00 0.00 178.83 179.84 1pma h GLN 98 N 0.68 -0.65 -0.98 1.46 4.20 -0.42 0.22 115.11 119.62 1pma h GLN 98 Ca 0.44 0.04 0.12 0.00 0.06 0.00 0.00 58.65 59.32 1pma h GLN 98 Cb 0.56 0.15 -0.08 0.00 0.30 0.00 0.00 27.48 28.41 1pma h GLN 98 CO -0.32 -0.43 0.61 1.49 -0.67 0.00 0.00 178.83 179.50 1pma h GLU 99 N -0.67 0.94 0.06 1.46 4.81 -1.05 -1.86 114.58 118.26 1pma h GLU 99 Ca 0.02 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1pma h GLU 99 Cb 0.71 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1pma h GLU 99 CO -0.31 0.62 -0.07 0.87 -0.73 0.00 0.00 179.01 179.39 1pma h LYS 100 N 0.96 -0.14 0.00 1.92 1.57 -0.77 0.66 116.57 120.77 1pma h LYS 100 Ca 0.49 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.22 1pma h LYS 100 Cb 0.49 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1pma h LYS 100 CO -0.27 -0.09 -0.30 -0.24 -0.57 0.00 0.00 179.45 177.98 1pma h VAL 101 N -0.14 1.03 0.00 0.50 3.04 0.10 0.78 116.25 121.56 1pma h VAL 101 Ca 0.01 -1.09 -0.17 0.00 -1.01 0.00 0.00 66.70 64.43 1pma h VAL 101 Cb 0.14 1.62 -0.03 0.00 -2.01 0.00 0.00 31.29 31.02 1pma h VAL 101 CO -0.03 0.29 -0.97 0.00 -1.01 0.00 0.00 177.57 175.86 1pma h THR 102 N 0.00 0.95 0.00 3.17 1.03 -1.10 -3.38 112.91 113.58 1pma h THR 102 Ca -0.00 -2.08 0.00 0.00 -0.01 0.00 0.00 66.41 64.32 1pma h THR 102 Cb 0.60 2.16 0.00 0.00 -1.07 0.00 0.00 68.15 69.84 1pma h THR 102 CO 0.04 0.32 -0.64 -1.22 -0.01 0.00 0.00 175.52 174.01 1pma n TYR 103 N -4.48 0.55 -0.64 0.00 4.01 0.20 -4.94 117.16 111.86 1pma n TYR 103 Ca -0.26 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1pma n TYR 103 Cb 0.60 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 1pma n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pma n GLY 104 N 1.34 1.00 3.64 2.72 0.00 0.27 -4.99 105.19 109.17 1pma n GLY 104 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 1pma n GLY 104 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pma s SER 105 N -3.05 -0.36 -1.06 1.61 0.15 -1.17 -4.89 113.70 104.93 1pma s SER 105 Ca 0.00 0.67 -0.20 0.00 0.70 0.00 0.00 55.95 57.12 1pma s SER 105 Cb 0.00 0.79 0.09 0.00 -1.71 0.00 0.00 66.02 65.19 1pma s SER 105 CO 0.00 -0.11 1.40 -0.22 1.20 0.00 0.00 173.24 175.50 1pma s LEU 106 N 0.43 4.20 0.00 3.45 2.96 -1.26 -4.63 118.68 123.83 1pma s LEU 106 Ca 0.01 -1.97 -0.25 0.00 -0.22 0.00 0.00 54.13 51.71 1pma s LEU 106 Cb -0.05 -2.50 -0.19 0.00 0.50 0.00 0.00 46.19 43.95 1pma s LEU 106 CO -0.10 -1.23 1.36 1.62 -1.32 0.00 0.00 176.35 176.67 1pma h VAL 107 N 6.07 1.26 -3.22 1.68 3.04 -1.97 -3.42 116.25 119.68 1pma h VAL 107 Ca 0.24 -0.88 -0.62 0.00 -1.01 0.00 0.00 66.70 64.44 1pma h VAL 107 Cb 0.98 1.85 -0.36 0.00 -2.01 0.00 0.00 31.29 31.74 1pma h VAL 107 CO 1.32 0.22 -0.83 0.21 -1.01 0.00 0.00 177.57 177.48 1pma s ASN 108 N -5.55 2.99 0.42 3.17 3.84 -1.26 -1.41 114.94 117.14 1pma s ASN 108 Ca -0.15 -0.65 0.20 0.00 0.21 0.00 0.00 52.86 52.47 1pma s ASN 108 Cb 0.03 -1.23 0.94 0.00 -0.55 0.00 0.00 41.25 40.44 1pma s ASN 108 CO 0.66 -0.08 1.87 -0.29 -2.79 0.00 0.00 177.10 176.47 1pma h ILE 109 N 6.16 0.89 -0.95 -5.21 2.10 -1.97 -2.81 117.51 115.72 1pma h ILE 109 Ca -0.35 -1.11 0.09 0.00 1.08 0.00 0.00 64.86 64.57 1pma h ILE 109 Cb 1.12 1.66 -0.08 0.00 -1.09 0.00 0.00 36.82 38.44 1pma h ILE 109 CO 0.52 0.28 0.59 -0.08 -1.08 0.00 0.00 178.15 178.38 1pma h GLU 110 N 0.00 0.97 -0.76 2.19 4.81 -2.00 -0.16 114.58 119.63 1pma h GLU 110 Ca -0.00 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1pma h GLU 110 Cb 0.64 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1pma h GLU 110 CO 0.04 0.64 0.40 -0.97 -0.73 0.00 0.00 179.01 178.38 1pma h ASN 111 N 0.99 0.95 -0.00 1.04 -0.73 -1.93 -0.62 115.58 115.27 1pma h ASN 111 Ca 0.44 -0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.53 1pma h ASN 111 Cb 0.34 -0.24 -0.00 0.00 0.27 0.00 0.00 38.32 38.69 1pma h ASN 111 CO -0.23 0.78 0.00 0.25 -0.37 0.00 0.00 177.43 177.86 1pma h LEU 112 N 1.06 0.00 -0.98 0.34 5.85 -1.16 -1.46 115.31 118.96 1pma h LEU 112 Ca 0.27 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1pma h LEU 112 Cb 0.05 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1pma h LEU 112 CO -0.04 0.07 0.56 1.62 -0.34 0.00 0.00 178.44 180.32 1pma h VAL 113 N -0.07 1.26 -0.56 1.05 3.04 -0.96 -2.35 116.25 117.65 1pma h VAL 113 Ca 0.00 -0.56 0.05 0.00 -1.01 0.00 0.00 66.70 65.18 1pma h VAL 113 Cb 0.07 -0.06 -0.05 0.00 -2.01 0.00 0.00 31.29 29.25 1pma h VAL 113 CO -0.00 0.27 0.29 0.11 -1.01 0.00 0.00 177.57 177.23 1pma h LYS 114 N 1.29 0.55 -0.61 4.17 1.57 -0.64 -1.34 116.57 121.56 1pma h LYS 114 Ca 0.33 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1pma h LYS 114 Cb -0.06 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1pma h LYS 114 CO -0.06 0.36 0.37 -0.09 -0.57 0.00 0.00 179.45 179.46 1pma h ARG 115 N 0.56 0.82 0.00 3.15 2.43 -0.74 -0.59 114.38 120.01 1pma h ARG 115 Ca 0.25 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.25 1pma h ARG 115 Cb 0.15 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1pma h ARG 115 CO -0.17 0.58 -0.46 -0.24 -1.51 0.00 0.00 179.97 178.17 1pma h VAL 116 N 0.82 1.23 0.19 0.20 3.04 -1.27 -2.50 116.25 117.97 1pma h VAL 116 Ca 0.22 -1.63 -0.01 0.00 -1.01 0.00 0.00 66.70 64.27 1pma h VAL 116 Cb -0.04 1.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 1pma h VAL 116 CO -0.04 0.45 -0.09 0.00 -1.01 0.00 0.00 177.57 176.88 1pma h ALA 117 N 1.54 -0.26 -0.86 3.17 0.00 -0.58 -2.23 119.26 120.04 1pma h ALA 117 Ca -0.00 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.88 1pma h ALA 117 Cb 0.86 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 1pma h ALA 117 CO 0.06 -0.51 0.47 -0.44 0.00 0.00 0.00 179.25 178.83 1pma h ASP 118 N -0.53 0.60 -0.28 0.00 5.19 -1.06 0.21 116.42 120.55 1pma h ASP 118 Ca -0.03 0.08 0.06 0.00 -0.62 0.00 0.00 57.03 56.53 1pma h ASP 118 Cb 0.40 -0.02 -0.06 0.00 0.18 0.00 0.00 39.33 39.82 1pma h ASP 118 CO 0.04 0.28 -0.14 -0.61 -3.12 0.00 0.00 179.24 175.70 1pma h GLN 119 N 0.69 -0.09 -0.26 3.56 -0.00 -1.18 -0.65 115.11 117.18 1pma h GLN 119 Ca 0.46 0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 59.11 1pma h GLN 119 Cb 0.59 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.08 1pma h GLN 119 CO -0.33 -0.06 0.16 0.52 0.00 0.00 0.00 178.83 179.12 1pma h MET 120 N -0.09 0.36 -0.87 1.69 2.86 -0.25 -2.95 114.93 115.67 1pma h MET 120 Ca 0.15 -0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.87 1pma h MET 120 Cb 0.32 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.84 1pma h MET 120 CO -0.35 0.27 0.56 0.37 1.06 0.00 0.00 176.91 178.83 1pma h GLN 121 N 0.34 0.78 -0.95 1.72 -0.00 0.21 -1.80 115.11 115.41 1pma h GLN 121 Ca 0.10 -0.05 0.09 0.00 -0.00 0.00 0.00 58.65 58.78 1pma h GLN 121 Cb 0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 27.48 27.23 1pma h GLN 121 CO -0.02 0.52 0.60 1.96 0.00 0.00 0.00 178.83 181.89 1pma h GLN 122 N 0.80 1.00 0.00 1.69 4.20 -0.97 0.11 115.11 121.96 1pma h GLN 122 Ca 0.41 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.06 1pma h GLN 122 Cb 0.50 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1pma h GLN 122 CO -0.18 0.66 0.00 0.66 -0.67 0.00 0.00 178.83 179.31 1pma n TYR 123 N -4.59 0.00 0.17 2.96 4.02 -0.68 -1.40 117.16 117.64 1pma n TYR 123 Ca 0.16 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 58.10 1pma n TYR 123 Cb 0.25 -0.44 0.23 0.00 -0.02 0.00 0.00 39.34 39.36 1pma n TYR 123 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1pma h THR 124 N 0.00 0.83 0.00 -0.72 2.02 -0.78 -3.39 112.91 110.87 1pma h THR 124 Ca 0.00 -1.75 0.00 0.00 0.77 0.00 0.00 66.41 65.43 1pma h THR 124 Cb 0.22 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1pma h THR 124 CO 0.00 0.40 -0.27 0.00 0.37 0.00 0.00 175.52 176.02 1pma n GLN 125 N -3.39 3.28 -0.49 6.66 10.64 -0.91 -4.87 117.38 128.30 1pma n GLN 125 Ca 0.01 0.00 -0.03 0.00 -1.83 0.00 0.00 57.00 55.14 1pma n GLN 125 Cb 0.59 -0.53 -0.05 0.00 -0.86 0.00 0.00 30.24 29.39 1pma n GLN 125 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1pma n TYR 126 N -0.56 0.00 0.00 2.61 4.01 -0.49 -4.94 117.16 117.79 1pma n TYR 126 Ca 0.00 -0.85 0.00 0.00 -0.16 0.00 0.00 57.90 56.89 1pma n TYR 126 Cb 0.00 -0.74 0.00 0.00 -0.31 0.00 0.00 39.34 38.29 1pma n TYR 126 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pma n GLY 127 N 2.02 3.40 3.14 2.72 0.00 -1.26 -4.54 105.19 110.67 1pma n GLY 127 Ca 0.12 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 1pma n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pma n GLY 128 N 0.00 0.59 3.64 -0.02 0.00 -1.26 -4.57 105.19 103.57 1pma n GLY 128 Ca 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 46.02 45.60 1pma n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pma s VAL 129 N 4.82 0.00 0.16 1.61 0.11 -1.26 -5.16 120.40 120.69 1pma s VAL 129 Ca 0.28 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.03 1pma s VAL 129 Cb 0.06 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.84 1pma s VAL 129 CO 0.14 0.00 1.12 -0.60 -3.33 0.00 0.00 175.10 172.43 1pma s ARG 130 N 1.04 4.56 0.81 1.54 3.52 -1.26 -4.93 118.95 124.23 1pma s ARG 130 Ca -0.06 1.74 -0.13 0.00 -0.13 0.00 0.00 55.73 57.15 1pma s ARG 130 Cb -0.04 -3.28 0.08 0.00 -1.56 0.00 0.00 34.95 30.15 1pma s ARG 130 CO -0.13 0.02 1.20 -2.14 -0.81 0.00 0.00 175.30 173.44 1pma s PRO 131 N -0.20 1.66 -0.32 5.12 0.02 -1.26 -4.91 135.00 135.10 1pma s PRO 131 Ca 0.51 1.73 -0.29 0.00 0.02 0.00 0.00 61.00 62.97 1pma s PRO 131 Cb -0.30 -1.78 -0.00 0.00 0.02 0.00 0.00 34.50 32.44 1pma s PRO 131 CO 0.34 -2.19 1.38 0.71 -0.33 0.00 0.00 177.00 176.91 1pma s TYR 132 N -2.19 2.53 -1.43 6.54 2.02 -1.26 -4.92 117.35 118.63 1pma s TYR 132 Ca 0.72 0.77 -0.13 0.00 -0.37 0.00 0.00 57.07 58.06 1pma s TYR 132 Cb -0.28 -4.02 0.06 0.00 -0.40 0.00 0.00 41.96 37.31 1pma s TYR 132 CO 0.51 -1.96 2.18 0.41 -1.57 0.00 0.00 175.55 175.12 1pma n GLY 133 N 4.57 4.43 3.50 0.71 0.00 -1.26 -4.58 105.19 112.56 1pma n GLY 133 Ca 0.16 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.40 1pma n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pma s VAL 134 N 2.85 0.00 0.18 1.61 0.11 -1.26 -0.40 120.40 123.50 1pma s VAL 134 Ca 0.46 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.57 1pma s VAL 134 Cb 0.13 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.94 1pma s VAL 134 CO -0.08 0.00 -0.10 -0.44 -3.33 0.00 0.00 175.10 171.15 1pma s SER 135 N -1.99 2.12 0.09 3.54 0.01 -0.32 -3.15 113.70 114.00 1pma s SER 135 Ca -0.01 -1.05 -0.25 0.00 1.31 0.00 0.00 55.95 55.95 1pma s SER 135 Cb -0.01 -0.06 0.08 0.00 0.21 0.00 0.00 66.02 66.24 1pma s SER 135 CO -0.04 -0.29 0.70 -1.48 0.41 0.00 0.00 173.24 172.54 1pma s LEU 136 N -3.25 -0.51 -0.03 2.44 0.05 -0.32 -1.30 118.68 115.77 1pma s LEU 136 Ca 0.21 0.05 0.04 0.00 0.05 0.00 0.00 54.13 54.47 1pma s LEU 136 Cb 0.02 2.40 -0.00 0.00 -2.05 0.00 0.00 46.19 46.56 1pma s LEU 136 CO 0.04 -0.83 -0.13 0.27 -0.55 0.00 0.00 176.35 175.15 1pma s ILE 137 N -3.36 1.12 -0.10 1.48 -4.36 -0.35 -0.52 121.20 115.11 1pma s ILE 137 Ca 0.02 -0.55 -0.04 0.00 -0.26 0.00 0.00 60.65 59.82 1pma s ILE 137 Cb -0.01 -0.97 -0.04 0.00 1.25 0.00 0.00 42.46 42.69 1pma s ILE 137 CO -0.10 0.33 0.05 -0.36 0.24 0.00 0.00 174.94 175.10 1pma s PHE 138 N 0.07 3.33 -0.06 1.37 0.40 0.50 -1.66 117.98 121.93 1pma s PHE 138 Ca -0.03 0.32 -0.13 0.00 -0.60 0.00 0.00 56.93 56.50 1pma s PHE 138 Cb -0.10 -1.85 0.02 0.00 0.51 0.00 0.00 43.02 41.61 1pma s PHE 138 CO 0.01 0.57 0.30 0.00 0.70 0.00 0.00 175.22 176.80 1pma s ALA 139 N -0.94 -0.74 0.00 5.36 0.00 0.01 -0.78 121.76 124.66 1pma s ALA 139 Ca 0.14 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1pma s ALA 139 Cb -0.12 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.84 1pma s ALA 139 CO 0.03 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1pma n GLY 140 N 1.97 -1.80 3.10 0.00 0.00 -0.90 -0.83 105.19 106.73 1pma n GLY 140 Ca -0.18 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 1pma n GLY 140 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pma s ILE 141 N -2.56 1.70 0.00 -0.61 -1.16 -1.11 -0.12 121.20 117.34 1pma s ILE 141 Ca 0.00 -0.77 0.00 0.00 -0.51 0.00 0.00 60.65 59.37 1pma s ILE 141 Cb 0.00 -1.53 0.00 0.00 0.61 0.00 0.00 42.46 41.54 1pma s ILE 141 CO 0.00 0.48 0.00 -0.90 -2.81 0.00 0.00 174.94 171.71 1pma n ASP 142 N 4.07 1.19 0.06 4.50 3.85 -0.45 -4.90 116.55 124.87 1pma n ASP 142 Ca -0.20 -0.64 0.15 0.00 -0.71 0.00 0.00 54.79 53.40 1pma n ASP 142 Cb 0.52 0.00 0.64 0.00 -1.35 0.00 0.00 41.12 40.93 1pma n ASP 142 CO 0.00 0.00 0.00 -0.61 -1.01 0.00 0.00 177.20 175.58 1pma h GLN 143 N 0.00 0.07 0.14 0.11 5.75 -1.49 -1.53 115.11 118.17 1pma h GLN 143 Ca 0.00 -0.00 -0.28 0.00 -0.15 0.00 0.00 58.65 58.21 1pma h GLN 143 Cb 0.00 -0.02 0.01 0.00 1.07 0.00 0.00 27.48 28.54 1pma h GLN 143 CO 0.00 0.05 -1.29 0.82 -2.65 0.00 0.00 178.83 175.76 1pma h ILE 144 N 0.08 1.45 0.00 2.39 2.04 -1.96 -3.51 117.51 118.00 1pma h ILE 144 Ca 0.18 -3.01 0.00 0.00 1.00 0.00 0.00 64.86 63.03 1pma h ILE 144 Cb 0.63 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.64 1pma h ILE 144 CO -0.01 0.88 0.00 0.61 0.00 0.00 0.00 178.15 179.63 1pma n GLY 145 N 1.56 0.49 3.74 5.37 0.00 -0.58 -5.09 105.19 110.69 1pma n GLY 145 Ca -0.10 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 1pma n GLY 145 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pma s PRO 146 N -2.00 4.34 0.01 1.61 0.02 -1.26 -1.34 135.00 136.37 1pma s PRO 146 Ca 0.00 2.17 0.02 0.00 0.02 0.00 0.00 61.00 63.21 1pma s PRO 146 Cb 0.00 -3.15 -0.01 0.00 0.02 0.00 0.00 34.50 31.36 1pma s PRO 146 CO 0.00 -0.31 -0.07 1.03 -0.33 0.00 0.00 177.00 177.33 1pma s ARG 147 N -0.40 0.51 -0.20 5.54 0.52 0.83 -4.93 118.95 120.82 1pma s ARG 147 Ca 0.57 -0.33 -0.03 0.00 -0.52 0.00 0.00 55.73 55.42 1pma s ARG 147 Cb -0.39 -0.46 0.06 0.00 0.52 0.00 0.00 34.95 34.68 1pma s ARG 147 CO 0.42 0.12 0.04 -1.17 0.02 0.00 0.00 175.30 174.73 1pma s LEU 148 N -0.43 1.15 0.15 2.53 2.96 -1.26 -2.11 118.68 121.68 1pma s LEU 148 Ca 0.00 -0.83 0.10 0.00 -0.22 0.00 0.00 54.13 53.18 1pma s LEU 148 Cb -0.04 -0.58 -0.04 0.00 0.50 0.00 0.00 46.19 46.03 1pma s LEU 148 CO -0.00 -0.31 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.12 1pma s PHE 149 N 1.87 2.13 0.28 5.38 0.40 0.04 -0.98 117.98 127.09 1pma s PHE 149 Ca -0.01 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 55.99 1pma s PHE 149 Cb -0.17 -1.11 -0.06 0.00 0.51 0.00 0.00 43.02 42.20 1pma s PHE 149 CO -0.09 0.37 -0.04 0.16 0.70 0.00 0.00 175.22 176.32 1pma s ASP 150 N -2.34 2.61 -0.24 1.36 -4.77 -0.77 -0.37 116.67 112.14 1pma s ASP 150 Ca 0.15 -1.21 -0.12 0.00 -3.30 0.00 0.00 52.55 48.07 1pma s ASP 150 Cb -0.09 -0.14 0.09 0.00 -1.09 0.00 0.00 42.92 41.69 1pma s ASP 150 CO 0.07 -0.39 0.57 0.00 0.70 0.00 0.00 175.17 176.12 1pma s ASP 152 N 2.00 5.04 0.62 0.00 -4.77 -1.09 -1.17 116.67 117.31 1pma s ASP 152 Ca -0.08 -0.50 0.35 0.00 -3.30 0.00 0.00 52.55 49.03 1pma s ASP 152 Cb -0.08 -0.17 2.03 0.00 -1.09 0.00 0.00 42.92 43.61 1pma s ASP 152 CO -0.17 -1.33 2.27 -0.65 0.70 0.00 0.00 175.17 175.99 1pma h PRO 153 N 0.07 0.00 0.00 2.11 0.11 -1.79 -0.27 132.00 132.23 1pma h PRO 153 Ca -0.36 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.71 1pma h PRO 153 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1pma h PRO 153 CO 0.43 0.00 -0.20 0.00 -0.21 0.00 0.00 178.00 178.02 1pma h ALA 154 N 1.95 1.02 0.00 -0.75 0.00 -1.89 -3.44 119.26 116.15 1pma h ALA 154 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1pma h ALA 154 Cb 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1pma h ALA 154 CO -0.00 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1pma n GLY 155 N 0.16 0.94 3.77 0.00 0.00 -0.11 -4.23 105.19 105.72 1pma n GLY 155 Ca 0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1pma n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pma s THR 156 N -2.00 3.73 -0.00 2.61 2.01 -1.26 -4.72 115.64 116.01 1pma s THR 156 Ca 0.00 1.46 0.00 0.00 0.31 0.00 0.00 61.69 63.46 1pma s THR 156 Cb 0.00 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.69 1pma s THR 156 CO 0.00 0.14 0.00 -0.51 -0.69 0.00 0.00 174.62 173.56 1pma s ILE 157 N -1.50 -0.00 0.07 1.82 2.07 -1.26 -2.65 121.20 119.74 1pma s ILE 157 Ca 0.53 0.02 -0.09 0.00 -1.41 0.00 0.00 60.65 59.69 1pma s ILE 157 Cb -0.24 -0.02 -0.00 0.00 0.13 0.00 0.00 42.46 42.33 1pma s ILE 157 CO 0.31 0.01 0.19 0.20 -1.91 0.00 0.00 174.94 173.73 1pma s ASN 158 N 0.09 0.09 -0.11 4.50 -0.87 -1.20 -4.99 114.94 112.45 1pma s ASN 158 Ca -0.01 -0.53 -0.02 0.00 -1.57 0.00 0.00 52.86 50.73 1pma s ASN 158 Cb -0.01 0.31 -0.03 0.00 -0.02 0.00 0.00 41.25 41.50 1pma s ASN 158 CO -0.00 -0.65 -0.01 -0.70 -2.57 0.00 0.00 177.10 173.17 1pma s GLU 159 N -3.27 3.20 0.40 -0.60 2.12 -1.26 -1.85 118.70 117.43 1pma s GLU 159 Ca 0.00 -0.45 0.06 0.00 0.36 0.00 0.00 54.97 54.94 1pma s GLU 159 Cb 0.02 -2.83 -0.08 0.00 0.26 0.00 0.00 34.13 31.51 1pma s GLU 159 CO -0.08 0.55 0.02 0.71 -0.54 0.00 0.00 175.26 175.92 1pma s TYR 160 N -0.46 2.40 -0.18 5.30 1.51 -0.16 -5.01 117.35 120.75 1pma s TYR 160 Ca 0.08 -0.73 0.18 0.00 -1.01 0.00 0.00 57.07 55.58 1pma s TYR 160 Cb -0.12 -1.68 -0.25 0.00 -0.11 0.00 0.00 41.96 39.80 1pma s TYR 160 CO 0.02 0.36 0.15 1.17 -1.11 0.00 0.00 175.55 176.14 1pma n LYS 161 N -0.92 0.68 -3.52 -0.62 3.00 -1.26 -4.44 118.16 111.08 1pma n LYS 161 Ca -0.05 0.02 -0.13 0.00 -0.00 0.00 0.00 58.31 58.15 1pma n LYS 161 Cb 0.67 -1.55 -0.04 0.00 0.00 0.00 0.00 35.03 34.11 1pma n LYS 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pma s ALA 162 N -2.53 -1.81 -0.04 3.14 0.00 -1.26 -0.97 121.76 118.28 1pma s ALA 162 Ca -0.09 1.23 -0.31 0.00 0.00 0.00 0.00 51.96 52.79 1pma s ALA 162 Cb 0.06 -0.03 0.13 0.00 0.00 0.00 0.00 23.12 23.29 1pma s ALA 162 CO 0.83 -0.46 1.34 -0.08 0.00 0.00 0.00 175.76 177.39 1pma s THR 163 N -1.87 0.00 0.31 0.00 -1.32 -0.58 -5.00 115.64 107.19 1pma s THR 163 Ca -0.04 -0.14 -0.04 0.00 -1.21 0.00 0.00 61.69 60.27 1pma s THR 163 Cb -0.00 -2.06 -0.00 0.00 -1.51 0.00 0.00 72.50 68.92 1pma s THR 163 CO 0.01 0.00 0.43 0.00 -2.21 0.00 0.00 174.62 172.85 1pma s ALA 164 N -2.26 0.70 0.22 11.08 0.00 -1.26 -0.71 121.76 129.53 1pma s ALA 164 Ca 0.15 -1.46 -0.23 0.00 0.00 0.00 0.00 51.96 50.43 1pma s ALA 164 Cb 0.06 1.18 0.04 0.00 0.00 0.00 0.00 23.12 24.40 1pma s ALA 164 CO -0.05 -0.77 0.81 -1.50 0.00 0.00 0.00 175.76 174.25 1pma s ILE 165 N -3.35 0.00 0.00 0.00 1.10 0.81 -4.91 121.20 114.85 1pma s ILE 165 Ca 0.31 -0.81 0.00 0.00 -0.51 0.00 0.00 60.65 59.64 1pma s ILE 165 Cb 0.00 -1.93 0.00 0.00 0.15 0.00 0.00 42.46 40.69 1pma s ILE 165 CO 0.18 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.62 1pma n GLY 166 N -0.46 -0.02 0.41 1.50 0.00 -1.26 -1.20 105.19 104.16 1pma n GLY 166 Ca -0.05 -1.81 -0.16 0.00 0.00 0.00 0.00 46.02 43.99 1pma n GLY 166 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1pma h SER 167 N 0.07 -0.88 -0.18 1.61 0.87 -1.10 -3.28 113.55 110.67 1pma h SER 167 Ca 0.00 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.48 1pma h SER 167 Cb 0.00 0.23 -0.06 0.00 -0.44 0.00 0.00 62.40 62.13 1pma h SER 167 CO 0.00 -0.59 0.14 0.61 -0.53 0.00 0.00 176.83 176.46 1pma n GLY 168 N -1.25 2.70 0.21 5.77 0.00 -1.26 -4.63 105.19 106.72 1pma n GLY 168 Ca -0.13 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 1pma n GLY 168 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1pma h LYS 169 N 0.54 -0.46 -1.07 1.61 3.64 -1.80 -1.55 116.57 117.49 1pma h LYS 169 Ca 0.12 0.03 0.34 0.00 -1.27 0.00 0.00 60.65 59.86 1pma h LYS 169 Cb 1.21 0.10 -0.14 0.00 -0.41 0.00 0.00 32.23 32.99 1pma h LYS 169 CO 0.24 -0.31 0.63 -0.44 -2.27 0.00 0.00 179.45 177.30 1pma h ASP 170 N -0.48 0.46 0.09 4.20 3.32 -1.90 0.34 116.42 122.45 1pma h ASP 170 Ca -0.04 0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1pma h ASP 170 Cb 0.38 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1pma h ASP 170 CO 0.04 -0.12 -0.04 0.00 -1.72 0.00 0.00 179.24 177.39 1pma h ALA 171 N 1.78 -0.61 -0.84 3.45 0.00 -1.87 -2.66 119.26 118.51 1pma h ALA 171 Ca 0.74 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.74 1pma h ALA 171 Cb 1.83 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.61 1pma h ALA 171 CO -0.54 -0.60 0.55 -0.24 0.00 0.00 0.00 179.25 178.42 1pma h VAL 172 N -0.18 0.89 -0.92 0.00 3.04 -0.82 -0.20 116.25 118.06 1pma h VAL 172 Ca -0.01 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 1pma h VAL 172 Cb 0.09 0.12 -0.05 0.00 -2.01 0.00 0.00 31.29 29.45 1pma h VAL 172 CO 0.02 0.13 0.59 1.62 -1.01 0.00 0.00 177.57 178.92 1pma h VAL 173 N 0.71 1.24 -0.13 1.51 3.04 -0.41 -1.66 116.25 120.56 1pma h VAL 173 Ca 0.40 -0.48 -0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1pma h VAL 173 Cb 0.58 -0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 29.77 1pma h VAL 173 CO -0.17 0.24 0.06 0.28 -1.01 0.00 0.00 177.57 176.98 1pma h SER 174 N 1.26 0.17 -0.22 3.17 0.02 -0.67 0.28 113.55 117.56 1pma h SER 174 Ca 0.33 -0.12 0.06 0.00 -0.84 0.00 0.00 61.79 61.22 1pma h SER 174 Cb -0.10 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.32 1pma h SER 174 CO -0.07 0.24 -0.27 0.15 -1.14 0.00 0.00 176.83 175.75 1pma h PHE 175 N 0.08 -0.72 -0.20 3.45 3.04 -0.83 -0.35 116.94 121.41 1pma h PHE 175 Ca 0.04 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 1pma h PHE 175 Cb 0.12 0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.97 1pma h PHE 175 CO -0.03 -0.34 0.09 -0.07 -2.02 0.00 0.00 178.31 175.94 1pma h LEU 176 N -0.29 0.27 -1.92 0.59 -0.00 -1.11 0.31 115.31 113.16 1pma h LEU 176 Ca 0.13 -0.14 0.41 0.00 -0.00 0.00 0.00 57.88 58.27 1pma h LEU 176 Cb 0.49 -0.07 -0.06 0.00 -0.00 0.00 0.00 40.66 41.02 1pma h LEU 176 CO -0.38 0.33 1.06 -0.08 -0.00 0.00 0.00 178.44 179.37 1pma h GLU 177 N 0.18 0.00 0.00 1.13 4.57 0.56 0.45 114.58 121.48 1pma h GLU 177 Ca 0.07 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.12 1pma h GLU 177 Cb 0.14 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 1pma h GLU 177 CO -0.01 0.00 -1.36 -2.13 -1.18 0.00 0.00 179.01 174.33 1pma n ARG 178 N -3.99 0.54 -0.84 1.92 0.63 -0.24 -4.70 116.66 109.97 1pma n ARG 178 Ca 0.31 0.27 0.07 0.00 -0.92 0.00 0.00 57.85 57.58 1pma n ARG 178 Cb 1.51 -1.48 0.39 0.00 0.45 0.00 0.00 32.46 33.33 1pma n ARG 178 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1pma n GLU 179 N -4.42 4.67 -2.52 -0.14 1.02 0.10 -4.96 120.64 114.40 1pma n GLU 179 Ca -0.24 -3.05 -0.43 0.00 -0.02 0.00 0.00 57.16 53.42 1pma n GLU 179 Cb 0.60 -2.20 -0.02 0.00 -0.02 0.00 0.00 31.44 29.79 1pma n GLU 179 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1pma s TYR 180 N -2.60 3.16 -0.34 -0.32 5.04 0.16 -4.93 117.35 117.52 1pma s TYR 180 Ca 0.53 1.25 -0.14 0.00 -2.44 0.00 0.00 57.07 56.28 1pma s TYR 180 Cb 0.40 -3.38 -0.02 0.00 0.35 0.00 0.00 41.96 39.30 1pma s TYR 180 CO 0.17 -1.12 0.29 0.21 -1.34 0.00 0.00 175.55 173.76 1pma s LYS 181 N 2.76 3.56 0.00 4.97 2.47 -1.26 -5.03 119.74 127.21 1pma s LYS 181 Ca 0.52 -0.52 0.00 0.00 -1.56 0.00 0.00 55.97 54.41 1pma s LYS 181 Cb -0.21 -3.80 0.00 0.00 -1.46 0.00 0.00 37.83 32.36 1pma s LYS 181 CO 0.16 -0.46 0.21 -1.91 0.16 0.00 0.00 175.35 173.51 1pma n GLU 182 N 5.22 0.00 -1.68 4.03 4.07 -1.26 -2.92 120.64 128.10 1pma n GLU 182 Ca -0.11 0.21 -0.35 0.00 -0.06 0.00 0.00 57.16 56.85 1pma n GLU 182 Cb 0.50 -0.49 0.02 0.00 -0.06 0.00 0.00 31.44 31.41 1pma n GLU 182 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1pma n ASN 183 N -0.58 7.26 -4.68 4.31 5.03 -1.26 -4.60 115.26 120.75 1pma n ASN 183 Ca 0.00 -3.65 -0.42 0.00 0.87 0.00 0.00 54.58 51.38 1pma n ASN 183 Cb 0.00 -1.09 -0.03 0.00 -1.02 0.00 0.00 39.78 37.64 1pma n ASN 183 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1pma s LEU 184 N -3.49 4.36 0.66 3.41 2.96 -1.15 -4.03 118.68 121.41 1pma s LEU 184 Ca 0.54 2.44 -0.17 0.00 -0.22 0.00 0.00 54.13 56.72 1pma s LEU 184 Cb 0.43 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.56 1pma s LEU 184 CO -0.29 -0.91 1.25 -2.84 -1.32 0.00 0.00 176.35 172.23 1pma s PRO 185 N 3.15 2.50 0.05 0.98 0.02 -1.26 -0.71 135.00 139.73 1pma s PRO 185 Ca 0.75 1.92 -0.09 0.00 0.02 0.00 0.00 61.00 63.60 1pma s PRO 185 Cb -0.38 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.26 1pma s PRO 185 CO 0.32 -1.59 0.94 -1.91 -0.33 0.00 0.00 177.00 174.43 1pma n GLU 186 N -2.10 -0.13 -0.23 5.54 2.13 -1.26 -0.31 120.64 124.28 1pma n GLU 186 Ca 0.15 0.93 -0.01 0.00 0.66 0.00 0.00 57.16 58.89 1pma n GLU 186 Cb 0.49 -1.39 0.06 0.00 0.27 0.00 0.00 31.44 30.87 1pma n GLU 186 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1pma h LYS 187 N 0.00 -0.04 -0.52 5.31 3.64 -2.00 0.22 116.57 123.18 1pma h LYS 187 Ca 0.05 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 1pma h LYS 187 Cb 0.12 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1pma h LYS 187 CO -0.27 -0.03 -0.14 0.93 -2.27 0.00 0.00 179.45 177.67 1pma h GLU 188 N -0.04 1.00 -0.10 1.90 5.08 -1.65 -2.49 114.58 118.28 1pma h GLU 188 Ca 0.31 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1pma h GLU 188 Cb 0.53 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1pma h GLU 188 CO -0.72 1.06 -0.05 0.00 -1.00 0.00 0.00 179.01 178.30 1pma h ALA 189 N 0.95 0.04 -0.16 3.43 0.00 0.21 0.19 119.26 123.92 1pma h ALA 189 Ca 0.13 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1pma h ALA 189 Cb 0.70 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1pma h ALA 189 CO 0.05 -0.51 0.05 -0.24 0.00 0.00 0.00 179.25 178.60 1pma h VAL 190 N -0.04 1.08 0.65 0.00 3.04 -0.61 -0.51 116.25 119.86 1pma h VAL 190 Ca 0.06 -0.27 -0.03 0.00 -1.01 0.00 0.00 66.70 65.45 1pma h VAL 190 Cb 0.12 0.91 0.01 0.00 -2.01 0.00 0.00 31.29 30.32 1pma h VAL 190 CO -0.13 0.10 -0.31 0.74 -1.01 0.00 0.00 177.57 176.96 1pma h THR 191 N 0.22 0.00 -0.79 3.17 2.02 -0.77 0.26 112.91 117.02 1pma h THR 191 Ca 0.06 -0.18 0.18 0.00 0.77 0.00 0.00 66.41 67.24 1pma h THR 191 Cb 0.08 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.37 1pma h THR 191 CO -0.00 0.00 0.23 0.25 0.37 0.00 0.00 175.52 176.36 1pma h LEU 192 N -1.05 0.07 0.81 2.58 5.85 -0.82 0.10 115.31 122.86 1pma h LEU 192 Ca -0.09 0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1pma h LEU 192 Cb 0.67 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 1pma h LEU 192 CO 0.15 -0.05 -0.50 1.23 -0.34 0.00 0.00 178.44 178.93 1pma h GLY 193 N 0.29 -1.36 1.15 3.75 0.00 -0.95 0.86 103.07 106.81 1pma h GLY 193 Ca 0.47 0.55 0.07 0.00 0.00 0.00 0.00 47.33 48.42 1pma h GLY 193 CO -0.54 -0.46 0.40 1.19 0.00 0.00 0.00 176.54 177.13 1pma h ILE 194 N -1.22 0.98 -0.21 2.60 2.10 -0.13 0.41 117.51 122.04 1pma h ILE 194 Ca -0.11 -0.19 -0.03 0.00 1.08 0.00 0.00 64.86 65.62 1pma h ILE 194 Cb 0.98 0.38 -0.01 0.00 -1.09 0.00 0.00 36.82 37.08 1pma h ILE 194 CO 0.11 0.10 0.02 0.50 -1.08 0.00 0.00 178.15 177.80 1pma h LYS 195 N 0.55 0.35 -0.02 2.19 3.64 -0.62 0.11 116.57 122.78 1pma h LYS 195 Ca 0.26 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1pma h LYS 195 Cb 0.33 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1pma h LYS 195 CO -0.08 0.52 -0.00 0.00 -2.27 0.00 0.00 179.45 177.62 1pma h ALA 196 N 0.82 0.01 -0.33 5.00 0.00 0.14 0.29 119.26 125.20 1pma h ALA 196 Ca 0.06 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1pma h ALA 196 Cb 0.34 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1pma h ALA 196 CO 0.01 -0.50 0.11 1.25 0.00 0.00 0.00 179.25 180.12 1pma h LEU 197 N -0.00 0.11 0.00 0.00 5.85 -0.18 -2.41 115.31 118.68 1pma h LEU 197 Ca 0.01 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1pma h LEU 197 Cb 0.01 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1pma h LEU 197 CO -0.02 0.10 0.00 1.17 -0.34 0.00 0.00 178.44 179.35 1pma n LYS 198 N -5.03 0.00 -0.23 1.25 4.81 0.37 -2.49 118.16 116.83 1pma n LYS 198 Ca 0.01 0.50 -0.02 0.00 -0.87 0.00 0.00 58.31 57.93 1pma n LYS 198 Cb 0.12 -1.32 0.01 0.00 0.02 0.00 0.00 35.03 33.86 1pma n LYS 198 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1pma n SER 199 N -1.76 -0.42 0.00 3.14 3.41 0.05 0.07 113.62 118.11 1pma n SER 199 Ca 0.00 1.02 0.00 0.00 -0.26 0.00 0.00 58.87 59.63 1pma n SER 199 Cb 0.00 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1pma n SER 199 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1pma n SER 200 N -4.84 0.00 0.25 4.04 2.88 -0.91 -3.35 113.62 111.70 1pma n SER 200 Ca 0.05 0.09 0.17 0.00 -1.33 0.00 0.00 58.87 57.85 1pma n SER 200 Cb 0.22 0.00 0.86 0.00 -0.75 0.00 0.00 64.21 64.54 1pma n SER 200 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1pma h LEU 201 N 0.00 0.00 -3.55 2.46 7.12 -1.30 -3.32 115.31 116.71 1pma h LEU 201 Ca 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.99 1pma h LEU 201 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.12 1pma h LEU 201 CO 0.00 0.00 -0.01 -0.62 -0.13 0.00 0.00 178.44 177.68 1pma n GLU 202 N -2.76 0.70 0.10 1.25 4.71 0.11 -3.30 120.64 121.45 1pma n GLU 202 Ca -0.01 -0.10 -0.05 0.00 -0.01 0.00 0.00 57.16 56.99 1pma n GLU 202 Cb 0.12 -1.29 0.03 0.00 -1.01 0.00 0.00 31.44 29.29 1pma n GLU 202 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1pma h GLU 203 N 2.51 0.07 -1.06 3.49 4.22 -1.78 -3.07 114.58 118.96 1pma h GLU 203 Ca 0.02 -0.08 -0.38 0.00 0.08 0.00 0.00 59.36 59.00 1pma h GLU 203 Cb 0.65 0.02 -0.21 0.00 0.50 0.00 0.00 28.75 29.71 1pma h GLU 203 CO 0.05 0.84 0.49 0.41 -2.18 0.00 0.00 179.01 178.62 1pma n GLY 204 N 0.75 3.94 5.13 1.92 0.00 -1.21 -4.99 105.19 110.73 1pma n GLY 204 Ca -0.02 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1pma n GLY 204 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pma n GLU 205 N -0.56 0.00 -1.86 1.61 4.07 -1.16 -4.82 120.64 117.92 1pma n GLU 205 Ca 0.42 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 57.10 1pma n GLU 205 Cb 1.19 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 32.54 1pma n GLU 205 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1pma s GLU 206 N 0.00 3.94 0.40 5.31 2.12 -1.26 -4.85 118.70 124.36 1pma s GLU 206 Ca 0.00 2.21 0.28 0.00 0.36 0.00 0.00 54.97 57.82 1pma s GLU 206 Cb 0.00 -4.11 1.03 0.00 0.26 0.00 0.00 34.13 31.31 1pma s GLU 206 CO 0.00 -1.15 1.82 1.25 -0.54 0.00 0.00 175.26 176.64 1pma h LEU 207 N 11.33 0.00 0.00 2.70 5.85 -1.97 -3.48 115.31 129.74 1pma h LEU 207 Ca -0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1pma h LEU 207 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1pma h LEU 207 CO 0.96 0.00 0.00 1.17 -0.34 0.00 0.00 178.44 180.23 1pma n LYS 208 N -2.72 0.00 -3.92 1.25 3.00 -1.26 -4.45 118.16 110.05 1pma n LYS 208 Ca 0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.99 1pma n LYS 208 Cb 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.22 1pma n LYS 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pma s ALA 209 N -1.98 2.84 0.50 3.14 0.00 -1.26 -5.08 121.76 119.92 1pma s ALA 209 Ca 0.00 -1.95 -0.20 0.00 0.00 0.00 0.00 51.96 49.81 1pma s ALA 209 Cb 0.00 -1.96 -0.08 0.00 0.00 0.00 0.00 23.12 21.08 1pma s ALA 209 CO 0.00 -1.38 1.04 -2.14 0.00 0.00 0.00 175.76 173.28 1pma s PRO 210 N 1.18 3.71 -0.21 0.00 0.02 -1.26 -3.20 135.00 135.24 1pma s PRO 210 Ca -0.02 1.35 -0.05 0.00 0.02 0.00 0.00 61.00 62.30 1pma s PRO 210 Cb -0.20 -2.08 -0.02 0.00 0.02 0.00 0.00 34.50 32.22 1pma s PRO 210 CO -0.03 -0.50 -0.01 -2.00 -0.33 0.00 0.00 177.00 174.13 1pma s GLU 211 N -3.36 3.54 0.00 5.54 2.12 0.55 -4.85 118.70 122.24 1pma s GLU 211 Ca 0.67 -0.55 0.02 0.00 0.36 0.00 0.00 54.97 55.47 1pma s GLU 211 Cb -0.17 -3.08 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 1pma s GLU 211 CO 0.23 -0.08 -0.07 -1.50 -0.54 0.00 0.00 175.26 173.29 1pma s ILE 212 N 1.23 0.58 0.02 -3.70 2.07 -1.26 -0.15 121.20 119.99 1pma s ILE 212 Ca 0.03 -0.40 0.01 0.00 -1.41 0.00 0.00 60.65 58.87 1pma s ILE 212 Cb -0.15 -0.50 -0.01 0.00 0.13 0.00 0.00 42.46 41.93 1pma s ILE 212 CO 0.01 0.10 -0.03 0.00 -1.91 0.00 0.00 174.94 173.10 1pma s ALA 213 N -0.31 0.20 -0.08 1.50 0.00 -0.11 -1.57 121.76 121.38 1pma s ALA 213 Ca 0.01 -0.43 -0.11 0.00 0.00 0.00 0.00 51.96 51.44 1pma s ALA 213 Cb -0.04 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.18 1pma s ALA 213 CO -0.00 -0.07 0.28 -1.54 0.00 0.00 0.00 175.76 174.43 1pma s SER 214 N -0.96 -0.26 0.04 0.00 1.04 0.58 -0.41 113.70 113.72 1pma s SER 214 Ca -0.09 0.44 0.05 0.00 0.48 0.00 0.00 55.95 56.83 1pma s SER 214 Cb -0.07 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 1pma s SER 214 CO -0.00 -0.18 -0.15 -0.51 0.98 0.00 0.00 173.24 173.38 1pma s ILE 215 N -0.20 1.20 0.07 -1.02 2.07 -0.85 -0.69 121.20 121.78 1pma s ILE 215 Ca -0.03 -1.02 0.07 0.00 -1.41 0.00 0.00 60.65 58.26 1pma s ILE 215 Cb -0.03 -1.07 -0.03 0.00 0.13 0.00 0.00 42.46 41.46 1pma s ILE 215 CO 0.01 0.05 -0.19 0.28 -1.91 0.00 0.00 174.94 173.18 1pma s THR 216 N -0.83 1.51 0.21 4.00 -1.32 -1.26 -1.62 115.64 116.34 1pma s THR 216 Ca 0.03 -1.34 -0.30 0.00 -1.21 0.00 0.00 61.69 58.87 1pma s THR 216 Cb -0.08 -1.37 -0.16 0.00 -1.51 0.00 0.00 72.50 69.38 1pma s THR 216 CO 0.01 -0.01 0.89 0.55 -2.21 0.00 0.00 174.62 173.85 1pma n VAL 217 N 1.42 1.58 0.00 5.08 3.14 0.51 -2.25 118.33 127.82 1pma n VAL 217 Ca -0.19 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 60.80 1pma n VAL 217 Cb 0.54 -0.56 0.00 0.00 -1.06 0.00 0.00 33.84 32.76 1pma n VAL 217 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pma n GLY 218 N 1.69 3.16 2.80 7.55 0.00 -1.26 -5.03 105.19 114.11 1pma n GLY 218 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 1pma n GLY 218 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pma n ASN 219 N 0.00 -0.98 -4.83 1.61 6.94 -0.95 -5.16 115.26 111.88 1pma n ASN 219 Ca 0.00 -2.68 -0.31 0.00 -0.02 0.00 0.00 54.58 51.57 1pma n ASN 219 Cb 0.00 1.92 0.05 0.00 -2.36 0.00 0.00 39.78 39.40 1pma n ASN 219 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1pma s LYS 220 N -2.82 2.82 0.53 -3.83 1.02 -1.26 -4.46 119.74 111.74 1pma s LYS 220 Ca 0.27 0.78 -0.22 0.00 0.02 0.00 0.00 55.97 56.82 1pma s LYS 220 Cb -0.00 -1.99 -0.05 0.00 -0.52 0.00 0.00 37.83 35.26 1pma s LYS 220 CO 0.20 -1.13 1.36 0.71 -0.92 0.00 0.00 175.35 175.57 1pma s TYR 221 N -3.13 2.33 -0.14 3.18 2.02 -0.80 -4.61 117.35 116.20 1pma s TYR 221 Ca 0.58 1.36 0.02 0.00 -0.37 0.00 0.00 57.07 58.66 1pma s TYR 221 Cb -0.13 -3.81 0.02 0.00 -0.40 0.00 0.00 41.96 37.63 1pma s TYR 221 CO 0.54 -2.87 -0.18 0.50 -1.57 0.00 0.00 175.55 171.97 1pma s ARG 222 N -2.83 2.64 -0.11 -0.62 3.52 0.14 -4.98 118.95 116.71 1pma s ARG 222 Ca 0.70 -0.71 -0.13 0.00 -0.13 0.00 0.00 55.73 55.46 1pma s ARG 222 Cb -0.41 -2.24 -0.05 0.00 -1.56 0.00 0.00 34.95 30.69 1pma s ARG 222 CO 0.49 -0.12 0.30 0.42 -0.81 0.00 0.00 175.30 175.58 1pma s ILE 223 N 1.11 5.27 0.20 4.11 1.01 -1.26 -0.31 121.20 131.33 1pma s ILE 223 Ca -0.02 0.57 -0.30 0.00 0.00 0.00 0.00 60.65 60.90 1pma s ILE 223 Cb -0.14 -3.61 -0.08 0.00 0.01 0.00 0.00 42.46 38.63 1pma s ILE 223 CO -0.06 0.48 1.09 -0.31 0.00 0.00 0.00 174.94 176.13 1pma s TYR 224 N -0.19 3.62 0.37 3.97 1.51 -0.61 -4.99 117.35 121.03 1pma s TYR 224 Ca 0.18 1.64 -0.16 0.00 -1.01 0.00 0.00 57.07 57.72 1pma s TYR 224 Cb -0.14 -3.25 -0.09 0.00 -0.11 0.00 0.00 41.96 38.37 1pma s TYR 224 CO 0.06 -0.51 0.81 0.16 -1.11 0.00 0.00 175.55 174.96 1pma s ASP 225 N -0.34 6.79 0.17 2.29 -4.77 -1.26 -4.81 116.67 114.74 1pma s ASP 225 Ca 0.48 1.40 -0.07 0.00 -3.30 0.00 0.00 52.55 51.05 1pma s ASP 225 Cb -0.30 -2.42 0.24 0.00 -1.09 0.00 0.00 42.92 39.36 1pma s ASP 225 CO 0.36 -0.28 0.99 1.67 0.70 0.00 0.00 175.17 178.61 1pma n GLN 226 N -0.58 -0.09 -0.11 2.11 7.27 -1.26 -0.05 117.38 124.68 1pma n GLN 226 Ca 0.05 0.99 -0.12 0.00 0.07 0.00 0.00 57.00 57.98 1pma n GLN 226 Cb 0.53 -1.47 -0.03 0.00 2.41 0.00 0.00 30.24 31.68 1pma n GLN 226 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1pma h GLU 227 N 0.00 0.67 -0.80 3.69 3.07 -1.98 -2.38 114.58 116.86 1pma h GLU 227 Ca 0.28 -0.29 0.06 0.00 -0.50 0.00 0.00 59.36 58.91 1pma h GLU 227 Cb 0.43 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.26 1pma h GLU 227 CO -0.65 0.88 0.48 1.49 -1.40 0.00 0.00 179.01 179.82 1pma h GLU 228 N 0.44 0.84 -0.21 2.33 4.81 -0.84 -0.36 114.58 121.59 1pma h GLU 228 Ca 0.07 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.08 1pma h GLU 228 Cb 0.68 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1pma h GLU 228 CO 0.05 0.56 -0.57 -0.24 -0.73 0.00 0.00 179.01 178.07 1pma h VAL 229 N 0.87 1.31 0.00 0.32 3.04 -1.47 -2.80 116.25 117.51 1pma h VAL 229 Ca 0.35 -1.81 -0.02 0.00 -1.01 0.00 0.00 66.70 64.22 1pma h VAL 229 Cb 0.19 1.76 -0.00 0.00 -2.01 0.00 0.00 31.29 31.23 1pma h VAL 229 CO -0.18 0.57 -0.08 0.50 -1.01 0.00 0.00 177.57 177.37 1pma h LYS 230 N 0.50 0.00 -0.57 4.17 3.64 -0.83 0.51 116.57 123.99 1pma h LYS 230 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1pma h LYS 230 Cb 1.14 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1pma h LYS 230 CO 0.11 0.08 0.05 -0.22 -2.27 0.00 0.00 179.45 177.20 1pma h LYS 231 N 0.00 0.98 0.00 1.90 3.64 -0.81 -2.88 116.57 119.40 1pma h LYS 231 Ca -0.00 -0.29 -0.22 0.00 -1.27 0.00 0.00 60.65 58.87 1pma h LYS 231 Cb 0.21 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1pma h LYS 231 CO 0.01 0.95 -1.08 0.74 -2.27 0.00 0.00 179.45 177.81 1pma h PHE 232 N 0.87 0.00 0.00 1.91 -1.00 -1.33 -3.52 116.94 113.88 1pma h PHE 232 Ca 0.17 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.95 1pma h PHE 232 Cb 0.48 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.04 1pma h PHE 232 CO 0.04 1.00 0.00 -0.11 -1.61 0.00 0.00 178.31 177.63