#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pma s VAL 14 N 0.00 0.00 0.02 12.58 -7.23 -1.26 -4.86 120.40 119.65 1pma s VAL 14 Ca 0.00 -1.55 -0.25 0.00 -1.81 0.00 0.00 61.98 58.37 1pma s VAL 14 Cb 0.00 -2.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.35 1pma s VAL 14 CO 0.00 0.00 0.76 -0.36 -0.31 0.00 0.00 175.10 175.19 1pma s PHE 15 N -3.31 3.69 0.72 2.82 0.08 -1.26 -4.28 117.98 116.44 1pma s PHE 15 Ca 0.28 1.44 -0.11 0.00 0.12 0.00 0.00 56.93 58.65 1pma s PHE 15 Cb -0.00 -2.83 0.02 0.00 -0.57 0.00 0.00 43.02 39.64 1pma s PHE 15 CO 0.17 0.21 1.10 -1.54 -0.10 0.00 0.00 175.22 175.06 1pma s SER 16 N 0.20 5.30 0.15 1.36 1.04 -0.48 -4.87 113.70 116.40 1pma s SER 16 Ca 0.39 1.14 0.09 0.00 0.48 0.00 0.00 55.95 58.05 1pma s SER 16 Cb -0.20 -1.92 0.49 0.00 0.10 0.00 0.00 66.02 64.50 1pma s SER 16 CO 0.22 -1.44 1.23 -2.65 0.98 0.00 0.00 173.24 171.58 1pma n PRO 17 N -3.07 0.06 -0.19 4.02 -0.02 -1.26 -0.78 135.00 133.76 1pma n PRO 17 Ca 0.07 0.52 0.06 0.00 -2.02 0.00 0.00 63.50 62.14 1pma n PRO 17 Cb 0.57 -1.77 0.17 0.00 -0.02 0.00 0.00 33.50 32.44 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 -1.80 2.99 -0.69 2.55 5.75 -1.26 -5.00 116.55 119.09 1pma n ASP 18 Ca -0.01 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1pma n ASP 18 Cb 0.09 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 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 0.76 3.00 6.12 0.00 0.04 -5.09 105.19 110.67 1pma n GLY 19 Ca 0.13 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.61 0.47 -0.93 1.61 0.52 -1.26 -4.86 118.95 109.89 1pma s ARG 20 Ca 0.00 -0.43 -0.17 0.00 -0.52 0.00 0.00 55.73 54.60 1pma s ARG 20 Cb 0.00 -0.36 0.16 0.00 0.52 0.00 0.00 34.95 35.27 1pma s ARG 20 CO 0.00 0.08 1.06 -0.51 0.02 0.00 0.00 175.30 175.96 1pma s LEU 21 N -0.76 5.46 0.32 2.53 2.01 -1.26 -1.38 118.68 125.60 1pma s LEU 21 Ca -0.03 -2.27 0.08 0.00 0.01 0.00 0.00 54.13 51.92 1pma s LEU 21 Cb -0.05 -2.35 0.81 0.00 0.01 0.00 0.00 46.19 44.60 1pma s LEU 21 CO 0.00 -0.92 1.77 -0.26 1.01 0.00 0.00 176.35 177.95 1pma h PHE 22 N 8.46 1.01 -0.61 0.29 0.04 -1.98 -0.36 116.94 123.79 1pma h PHE 22 Ca 0.16 0.03 0.04 0.00 2.80 0.00 0.00 57.97 61.00 1pma h PHE 22 Cb 1.02 -0.30 -0.05 0.00 2.20 0.00 0.00 35.95 38.82 1pma h PHE 22 CO 1.13 0.18 0.35 1.96 -0.60 0.00 0.00 178.31 181.33 1pma h GLN 23 N 0.68 0.65 -0.04 1.51 1.08 -1.90 0.66 115.11 117.75 1pma h GLN 23 Ca 0.59 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.69 1pma h GLN 23 Cb 1.02 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.30 1pma h GLN 23 CO -0.39 0.43 -0.27 -0.24 -0.95 0.00 0.00 178.83 177.42 1pma h VAL 24 N 0.67 1.21 0.39 -0.54 3.04 -1.50 -1.34 116.25 118.19 1pma h VAL 24 Ca 0.26 -1.00 -0.02 0.00 -1.01 0.00 0.00 66.70 64.94 1pma h VAL 24 Cb 0.11 1.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 1pma h VAL 24 CO -0.14 0.29 -0.19 -0.33 -1.01 0.00 0.00 177.57 176.19 1pma h GLU 25 N 0.07 -0.50 -0.96 4.17 4.39 -0.47 -1.45 114.58 119.83 1pma h GLU 25 Ca 0.01 0.03 0.21 0.00 0.34 0.00 0.00 59.36 59.96 1pma h GLU 25 Cb 0.51 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.19 1pma h GLU 25 CO 0.04 -0.19 0.62 1.88 -1.16 0.00 0.00 179.01 180.19 1pma h TYR 26 N -0.84 0.67 0.27 4.33 0.05 -0.63 0.48 116.97 121.29 1pma h TYR 26 Ca -0.05 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 1pma h TYR 26 Cb 0.54 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.08 1pma h TYR 26 CO 0.02 0.15 -0.13 0.00 -1.05 0.00 0.00 178.16 177.14 1pma h ALA 27 N 1.61 -0.36 -1.01 3.88 0.00 -1.06 -2.72 119.26 119.61 1pma h ALA 27 Ca 0.52 -0.12 0.26 0.00 0.00 0.00 0.00 54.91 55.57 1pma h ALA 27 Cb 1.19 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 19.00 1pma h ALA 27 CO -0.24 -0.64 0.60 0.00 0.00 0.00 0.00 179.25 178.96 1pma h ARG 28 N -0.48 0.52 -0.27 0.00 3.08 0.10 0.23 114.38 117.57 1pma h ARG 28 Ca -0.04 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.04 1pma h ARG 28 Cb 0.36 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 1pma h ARG 28 CO 0.06 0.34 -0.14 0.93 -1.07 0.00 0.00 179.97 180.09 1pma h GLU 29 N 0.53 -0.10 -1.00 0.04 4.39 -1.04 -0.84 114.58 116.56 1pma h GLU 29 Ca 0.65 0.01 0.21 0.00 0.34 0.00 0.00 59.36 60.57 1pma h GLU 29 Cb 1.31 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.88 1pma h GLU 29 CO -0.48 -0.07 0.62 0.00 -1.16 0.00 0.00 179.01 177.92 1pma h ALA 30 N 1.10 1.84 -0.15 3.43 0.00 -0.44 -0.95 119.26 124.08 1pma h ALA 30 Ca 0.14 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1pma h ALA 30 Cb 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1pma h ALA 30 CO -0.33 -0.22 -0.52 -0.39 0.00 0.00 0.00 179.25 177.79 1pma h VAL 31 N 0.64 1.33 -0.88 0.00 -1.51 -1.06 -2.92 116.25 111.85 1pma h VAL 31 Ca 0.58 -1.76 0.01 0.00 -1.23 0.00 0.00 66.70 64.29 1pma h VAL 31 Cb 1.06 1.78 -0.04 0.00 -2.13 0.00 0.00 31.29 31.96 1pma h VAL 31 CO -0.36 0.54 0.58 0.11 -1.23 0.00 0.00 177.57 177.22 1pma h LYS 32 N 0.33 1.15 -0.06 5.19 1.57 -0.72 0.18 116.57 124.22 1pma h LYS 32 Ca 0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1pma h LYS 32 Cb 1.02 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1pma h LYS 32 CO 0.09 0.76 0.00 1.63 -0.57 0.00 0.00 179.45 181.36 1pma n LYS 33 N -4.41 0.80 -2.73 3.15 5.02 -1.10 -2.58 118.16 116.31 1pma n LYS 33 Ca 0.10 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.17 1pma n LYS 33 Cb 0.03 -1.03 0.03 0.00 -0.02 0.00 0.00 35.03 34.04 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 -1.12 1.71 1.13 0.72 0.00 0.64 -4.90 107.32 105.50 1pma s GLY 34 Ca 0.00 -1.17 -0.12 0.00 0.00 0.00 0.00 44.72 43.42 1pma s GLY 34 CO 0.00 -0.92 1.05 -0.45 0.00 0.00 0.00 173.10 172.77 1pma s SER 35 N -4.35 1.25 -0.12 1.64 0.15 -1.26 -0.16 113.70 110.85 1pma s SER 35 Ca 0.54 1.61 -0.05 0.00 0.70 0.00 0.00 55.95 58.75 1pma s SER 35 Cb -0.10 -2.34 -0.04 0.00 -1.71 0.00 0.00 66.02 61.83 1pma s SER 35 CO 0.39 -4.05 0.07 0.28 1.20 0.00 0.00 173.24 171.12 1pma s THR 36 N -2.49 4.86 0.10 6.45 -1.32 -1.26 -2.51 115.64 119.47 1pma s THR 36 Ca 0.68 -0.03 -0.15 0.00 -1.21 0.00 0.00 61.69 60.98 1pma s THR 36 Cb -0.25 -3.11 0.03 0.00 -1.51 0.00 0.00 72.50 67.66 1pma s THR 36 CO 0.64 0.58 0.37 0.00 -2.21 0.00 0.00 174.62 173.99 1pma s ALA 37 N -0.66 -0.82 0.34 11.08 0.00 -0.37 -1.28 121.76 130.05 1pma s ALA 37 Ca 0.12 -0.07 -0.14 0.00 0.00 0.00 0.00 51.96 51.87 1pma s ALA 37 Cb -0.12 0.58 0.03 0.00 0.00 0.00 0.00 23.12 23.62 1pma s ALA 37 CO 0.02 -0.58 0.68 -0.48 0.00 0.00 0.00 175.76 175.40 1pma s LEU 38 N -2.63 0.19 0.17 0.00 2.34 0.73 -0.58 118.68 118.90 1pma s LEU 38 Ca 0.01 -1.09 -0.24 0.00 0.06 0.00 0.00 54.13 52.87 1pma s LEU 38 Cb 0.02 2.42 0.06 0.00 -0.56 0.00 0.00 46.19 48.13 1pma s LEU 38 CO -0.10 -1.48 0.83 -0.83 -1.06 0.00 0.00 176.35 173.71 1pma s GLY 39 N -3.07 -0.27 -0.09 -3.48 0.00 0.12 -0.81 107.32 99.71 1pma s GLY 39 Ca 0.18 0.17 -0.30 0.00 0.00 0.00 0.00 44.72 44.78 1pma s GLY 39 CO 0.12 0.04 0.90 -3.16 0.00 0.00 0.00 173.10 171.00 1pma s MET 40 N -3.51 0.76 0.39 2.90 0.23 -0.90 -0.95 119.30 118.22 1pma s MET 40 Ca 0.09 0.05 -0.17 0.00 -1.03 0.00 0.00 55.69 54.63 1pma s MET 40 Cb -0.03 0.36 -0.10 0.00 -1.53 0.00 0.00 34.83 33.53 1pma s MET 40 CO 0.00 -0.26 0.85 0.15 -2.03 0.00 0.00 175.02 173.73 1pma s LYS 41 N -1.67 4.08 0.00 3.16 1.02 -0.18 -1.58 119.74 124.57 1pma s LYS 41 Ca -0.02 0.87 0.00 0.00 0.02 0.00 0.00 55.97 56.84 1pma s LYS 41 Cb -0.00 -2.30 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 1pma s LYS 41 CO 0.00 0.03 0.00 1.97 -0.92 0.00 0.00 175.35 176.43 1pma n PHE 42 N -0.64 0.00 0.00 3.18 1.16 -0.69 -4.87 117.46 115.60 1pma n PHE 42 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.63 1pma n PHE 42 Cb 0.54 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.41 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 -2.77 1.98 0.00 -0.41 -3.67 120.51 112.65 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 0.02 0.05 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.64 1.10 0.00 0.00 4.05 -1.26 -4.99 115.26 113.51 1pma n ASN 44 Ca 0.00 -2.04 0.00 0.00 0.45 0.00 0.00 54.58 52.99 1pma n ASN 44 Cb 0.00 -0.31 0.00 0.00 1.23 0.00 0.00 39.78 40.70 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 -0.58 2.32 3.29 8.20 0.00 -1.24 0.16 105.19 117.34 1pma n GLY 45 Ca 0.03 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.35 0.05 0.13 1.61 0.11 -0.74 -1.71 120.40 117.50 1pma s VAL 46 Ca 0.00 -0.44 0.05 0.00 -2.93 0.00 0.00 61.98 58.66 1pma s VAL 46 Cb 0.00 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 1pma s VAL 46 CO 0.00 -0.24 -0.12 -1.48 -3.33 0.00 0.00 175.10 169.93 1pma s LEU 47 N -1.53 2.46 0.03 2.54 2.34 -0.61 -2.18 118.68 121.71 1pma s LEU 47 Ca -0.11 -0.89 0.07 0.00 0.06 0.00 0.00 54.13 53.26 1pma s LEU 47 Cb -0.03 -0.42 -0.02 0.00 -0.56 0.00 0.00 46.19 45.16 1pma s LEU 47 CO 0.03 -0.24 -0.19 -0.22 -1.06 0.00 0.00 176.35 174.66 1pma s LEU 48 N -2.74 2.13 -0.15 1.48 2.96 -0.12 -2.11 118.68 120.13 1pma s LEU 48 Ca 0.11 -0.47 -0.08 0.00 -0.22 0.00 0.00 54.13 53.48 1pma s LEU 48 Cb -0.02 -0.93 0.06 0.00 0.50 0.00 0.00 46.19 45.81 1pma s LEU 48 CO 0.02 0.16 0.36 -0.51 -1.32 0.00 0.00 176.35 175.06 1pma s ILE 49 N -0.71 -0.08 0.05 6.68 1.10 0.01 -1.60 121.20 126.65 1pma s ILE 49 Ca 0.07 0.12 0.07 0.00 -0.51 0.00 0.00 60.65 60.39 1pma s ILE 49 Cb -0.08 -0.55 -0.03 0.00 0.15 0.00 0.00 42.46 41.95 1pma s ILE 49 CO 0.01 0.05 -0.19 -0.55 -2.11 0.00 0.00 174.94 172.15 1pma s SER 50 N 1.47 2.25 -0.43 4.50 0.15 0.51 -0.19 113.70 121.95 1pma s SER 50 Ca -0.09 -0.54 -0.26 0.00 0.70 0.00 0.00 55.95 55.76 1pma s SER 50 Cb -0.09 -0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.08 1pma s SER 50 CO -0.12 0.10 0.95 -0.62 1.20 0.00 0.00 173.24 174.75 1pma s ASP 51 N -1.33 6.57 -1.01 5.45 2.15 -0.40 -0.04 116.67 128.06 1pma s ASP 51 Ca 0.05 0.29 -0.16 0.00 0.43 0.00 0.00 52.55 53.17 1pma s ASP 51 Cb -0.09 -2.46 0.16 0.00 -0.30 0.00 0.00 42.92 40.23 1pma s ASP 51 CO 0.02 -1.01 1.17 -0.75 -0.17 0.00 0.00 175.17 174.43 1pma s LYS 52 N 3.74 3.79 -0.39 4.34 2.20 -1.20 -4.69 119.74 127.52 1pma s LYS 52 Ca 0.38 -2.19 -0.24 0.00 -0.36 0.00 0.00 55.97 53.56 1pma s LYS 52 Cb -0.10 -4.87 0.02 0.00 -1.51 0.00 0.00 37.83 31.36 1pma s LYS 52 CO 0.24 -1.67 0.82 0.15 -0.36 0.00 0.00 175.35 174.53 1pma s LYS 53 N 1.76 3.67 0.17 4.03 1.02 -1.26 -4.11 119.74 125.02 1pma s LYS 53 Ca 0.34 0.25 0.05 0.00 0.02 0.00 0.00 55.97 56.63 1pma s LYS 53 Cb -0.05 -3.85 -0.04 0.00 -0.52 0.00 0.00 37.83 33.37 1pma s LYS 53 CO -0.07 -0.96 0.13 0.54 -0.92 0.00 0.00 175.35 174.07 1pma s VAL 54 N 3.27 4.40 0.00 3.17 0.11 -1.26 -5.10 120.40 124.99 1pma s VAL 54 Ca 0.33 -1.14 0.00 0.00 -2.93 0.00 0.00 61.98 58.23 1pma s VAL 54 Cb -0.12 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.47 1pma s VAL 54 CO 0.19 -0.13 0.00 -1.14 -3.33 0.00 0.00 175.10 170.70 1pma n ARG 55 N -0.39 0.00 -1.12 1.54 3.00 -1.26 -5.09 116.66 113.33 1pma n ARG 55 Ca -0.08 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.44 1pma n ARG 55 Cb 0.55 0.00 0.12 0.00 0.00 0.00 0.00 32.46 33.13 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 -0.08 3.64 0.44 6.15 0.15 -1.26 -4.92 113.70 117.82 1pma s SER 56 Ca 0.00 2.32 0.24 0.00 0.70 0.00 0.00 55.95 59.21 1pma s SER 56 Cb 0.00 -2.58 0.57 0.00 -1.71 0.00 0.00 66.02 62.29 1pma s SER 56 CO 0.00 -2.63 1.68 0.03 1.20 0.00 0.00 173.24 173.52 1pma h ARG 57 N -0.93 0.00 0.00 5.44 3.08 -2.07 -3.21 114.38 116.69 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 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1pma h ARG 57 CO 0.46 0.10 0.00 1.28 -1.07 0.00 0.00 179.97 180.74 1pma n LEU 58 N -3.15 0.00 -4.82 3.04 4.32 -1.26 -4.82 117.00 110.31 1pma n LEU 58 Ca 0.03 0.30 -0.34 0.00 -0.02 0.00 0.00 56.01 55.98 1pma n LEU 58 Cb 0.51 -0.30 -0.07 0.00 -1.62 0.00 0.00 43.42 41.94 1pma n LEU 58 CO 0.34 -0.08 0.56 -0.63 -1.22 0.00 0.00 177.39 176.36 1pma s ILE 59 N -2.60 4.45 -0.03 -0.08 -1.09 -1.21 -4.95 121.20 115.68 1pma s ILE 59 Ca 0.20 1.39 -0.05 0.00 -2.23 0.00 0.00 60.65 59.96 1pma s ILE 59 Cb 0.15 -3.72 -0.21 0.00 -1.58 0.00 0.00 42.46 37.10 1pma s ILE 59 CO 0.35 -0.12 3.36 -0.62 -1.23 0.00 0.00 174.94 176.67 1pma n GLU 60 N -0.15 1.90 0.00 2.79 -0.58 -1.26 -4.97 120.64 118.37 1pma n GLU 60 Ca 0.04 -0.97 0.00 0.00 -0.42 0.00 0.00 57.16 55.81 1pma n GLU 60 Cb 0.53 -1.88 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 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 2.25 0.00 -0.50 3.49 -0.00 -1.26 -1.85 117.38 119.51 1pma n GLN 61 Ca 0.38 0.00 0.42 0.00 -0.00 0.00 0.00 57.00 57.79 1pma n GLN 61 Cb 0.84 0.00 0.69 0.00 -0.00 0.00 0.00 30.24 31.77 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 1.63 0.19 -0.18 2.61 2.85 -1.26 -1.67 115.26 119.42 1pma n ASN 62 Ca 0.00 1.34 0.29 0.00 -0.11 0.00 0.00 54.58 56.11 1pma n ASN 62 Cb 0.00 -0.66 0.66 0.00 1.24 0.00 0.00 39.78 41.02 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 -0.89 1.20 0.02 -1.79 -1.86 113.55 110.22 1pma h SER 63 Ca 0.88 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 61.14 1pma h SER 63 Cb 2.93 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 65.37 1pma h SER 63 CO -0.42 0.00 2.45 0.00 -1.14 0.00 0.00 176.83 177.72 1pma n ILE 64 N -3.70 4.85 -2.24 3.27 3.06 -0.67 -4.95 119.36 118.98 1pma n ILE 64 Ca 0.20 -3.80 -0.42 0.00 -2.50 0.00 0.00 62.75 56.23 1pma n ILE 64 Cb 1.19 -2.13 -0.03 0.00 0.54 0.00 0.00 39.64 39.21 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 -0.51 4.23 -0.12 9.51 0.41 -0.70 -4.91 118.70 126.60 1pma s GLU 65 Ca 0.58 1.91 0.12 0.00 -0.41 0.00 0.00 54.97 57.17 1pma s GLU 65 Cb 0.20 -3.79 -0.24 0.00 -1.78 0.00 0.00 34.13 28.53 1pma s GLU 65 CO -0.10 -0.72 0.35 1.63 -0.49 0.00 0.00 175.26 175.94 1pma n LYS 66 N 6.46 0.67 -3.15 1.61 5.02 -1.26 -4.74 118.16 122.76 1pma n LYS 66 Ca 0.15 0.17 -0.41 0.00 -2.02 0.00 0.00 58.31 56.20 1pma n LYS 66 Cb 0.44 -1.66 -0.07 0.00 -0.02 0.00 0.00 35.03 33.72 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 -2.55 4.97 0.05 -0.18 1.01 -1.26 -4.11 121.20 119.13 1pma s ILE 67 Ca -0.10 0.80 0.07 0.00 0.00 0.00 0.00 60.65 61.43 1pma s ILE 67 Cb 0.07 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 1pma s ILE 67 CO 0.81 -0.11 -0.19 -1.10 0.00 0.00 0.00 174.94 174.35 1pma s GLN 68 N 2.53 2.01 0.17 2.79 -0.21 -0.19 -4.98 119.66 121.78 1pma s GLN 68 Ca 0.24 -1.01 -0.20 0.00 0.02 0.00 0.00 55.36 54.40 1pma s GLN 68 Cb -0.15 -2.16 -0.08 0.00 1.00 0.00 0.00 33.01 31.63 1pma s GLN 68 CO 0.11 0.53 0.68 -0.51 -2.12 0.00 0.00 175.29 173.99 1pma s LEU 69 N -1.48 4.42 -0.18 2.90 1.43 -1.26 -0.88 118.68 123.64 1pma s LEU 69 Ca 0.15 1.38 0.13 0.00 -1.03 0.00 0.00 54.13 54.76 1pma s LEU 69 Cb -0.10 -3.36 -0.20 0.00 0.03 0.00 0.00 46.19 42.56 1pma s LEU 69 CO 0.05 0.12 0.01 -0.38 0.23 0.00 0.00 176.35 176.39 1pma n ILE 70 N 1.08 1.22 -3.59 -0.59 5.41 0.65 -4.92 119.36 118.62 1pma n ILE 70 Ca -0.05 -0.70 -0.06 0.00 1.00 0.00 0.00 62.75 62.95 1pma n ILE 70 Cb 0.51 -0.67 -0.03 0.00 -0.71 0.00 0.00 39.64 38.73 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 -5.34 -0.19 0.49 4.38 2.15 -0.95 -4.80 116.67 112.41 1pma s ASP 71 Ca -0.13 0.08 0.03 0.00 0.43 0.00 0.00 52.55 52.96 1pma s ASP 71 Cb 0.06 0.19 0.18 0.00 -0.30 0.00 0.00 42.92 43.05 1pma s ASP 71 CO 0.68 -0.27 0.99 0.44 -0.17 0.00 0.00 175.17 176.83 1pma h ASP 72 N 2.11 0.00 -0.01 -0.34 3.32 -2.00 0.99 116.42 120.48 1pma h ASP 72 Ca -0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1pma h ASP 72 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 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 -2.16 0.01 -3.70 4.55 4.02 -1.26 -1.96 117.16 116.66 1pma n TYR 73 Ca -0.00 -0.21 -0.11 0.00 -0.01 0.00 0.00 57.90 57.56 1pma n TYR 73 Cb 0.79 -0.02 -0.12 0.00 -0.02 0.00 0.00 39.34 39.97 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 -0.46 -0.12 0.27 -0.72 0.11 0.34 -2.77 120.40 117.06 1pma s VAL 74 Ca 0.01 0.14 0.05 0.00 -2.93 0.00 0.00 61.98 59.26 1pma s VAL 74 Cb 0.01 -0.50 -0.06 0.00 -1.53 0.00 0.00 36.38 34.30 1pma s VAL 74 CO 0.01 0.06 -0.02 0.00 -3.33 0.00 0.00 175.10 171.81 1pma s ALA 75 N 1.53 2.19 0.03 1.54 0.00 0.04 -0.26 121.76 126.84 1pma s ALA 75 Ca -0.08 -1.89 -0.14 0.00 0.00 0.00 0.00 51.96 49.85 1pma s ALA 75 Cb -0.10 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.39 1pma s ALA 75 CO -0.11 -0.16 0.31 0.00 0.00 0.00 0.00 175.76 175.80 1pma s ALA 76 N -3.17 -0.71 0.01 0.00 0.00 -0.06 -0.40 121.76 117.42 1pma s ALA 76 Ca 0.30 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.40 1pma s ALA 76 Cb 0.05 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 1pma s ALA 76 CO 0.11 -0.37 -0.13 0.54 0.00 0.00 0.00 175.76 175.92 1pma s VAL 77 N -2.20 1.01 0.27 0.00 0.11 -0.55 -1.02 120.40 118.01 1pma s VAL 77 Ca -0.07 -0.68 0.08 0.00 -2.93 0.00 0.00 61.98 58.37 1pma s VAL 77 Cb -0.02 -0.87 -0.05 0.00 -1.53 0.00 0.00 36.38 33.91 1pma s VAL 77 CO -0.01 0.18 -0.10 0.28 -3.33 0.00 0.00 175.10 172.12 1pma s THR 78 N -0.48 1.80 -0.16 5.04 -1.32 -1.26 -0.78 115.64 118.48 1pma s THR 78 Ca 0.04 -2.18 -0.08 0.00 -1.21 0.00 0.00 61.69 58.26 1pma s THR 78 Cb -0.06 -2.35 0.06 0.00 -1.51 0.00 0.00 72.50 68.64 1pma s THR 78 CO 0.00 -0.37 0.37 -0.55 -2.21 0.00 0.00 174.62 171.86 1pma s SER 79 N -3.43 -0.36 0.00 8.08 0.15 0.81 -4.90 113.70 114.06 1pma s SER 79 Ca 0.28 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.74 1pma s SER 79 Cb 0.02 0.78 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 1pma s SER 79 CO 0.11 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1pma n GLY 80 N 4.52 0.77 3.61 9.45 0.00 -1.26 -0.93 105.19 121.35 1pma n GLY 80 Ca -0.20 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 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 3.67 0.19 0.99 2.01 0.75 -4.86 118.68 121.43 1pma s LEU 81 Ca 0.00 1.97 -0.19 0.00 0.01 0.00 0.00 54.13 55.92 1pma s LEU 81 Cb 0.00 -3.52 0.15 0.00 0.01 0.00 0.00 46.19 42.84 1pma s LEU 81 CO 0.00 -1.72 1.59 1.62 1.01 0.00 0.00 176.35 178.85 1pma h VAL 82 N 6.76 0.18 -0.08 -1.59 3.04 -1.96 -0.91 116.25 121.70 1pma h VAL 82 Ca -0.42 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.32 1pma h VAL 82 Cb 1.23 0.18 -0.06 0.00 -2.01 0.00 0.00 31.29 30.63 1pma h VAL 82 CO 0.97 0.00 -0.32 0.00 -1.01 0.00 0.00 177.57 177.21 1pma h ALA 83 N 1.13 -0.40 -1.01 3.17 0.00 -1.98 -0.45 119.26 119.72 1pma h ALA 83 Ca 0.25 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.31 1pma h ALA 83 Cb 0.55 0.59 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 1pma h ALA 83 CO -0.70 -0.81 0.63 -0.44 0.00 0.00 0.00 179.25 177.93 1pma h ASP 84 N -0.42 0.90 -0.14 0.00 5.19 -1.76 -1.96 116.42 118.23 1pma h ASP 84 Ca 0.08 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 1pma h ASP 84 Cb 0.55 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 1pma h ASP 84 CO -0.32 0.45 0.05 0.00 -3.12 0.00 0.00 179.24 176.30 1pma h ALA 85 N 1.56 0.18 0.39 3.45 0.00 0.06 -2.29 119.26 122.62 1pma h ALA 85 Ca 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1pma h ALA 85 Cb 0.57 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1pma h ALA 85 CO -0.29 -0.21 -0.46 -0.09 0.00 0.00 0.00 179.25 178.20 1pma h ARG 86 N 0.06 -0.83 -0.94 0.00 2.43 -0.39 -0.01 114.38 114.69 1pma h ARG 86 Ca 0.05 0.06 0.14 0.00 -0.81 0.00 0.00 59.98 59.41 1pma h ARG 86 Cb 0.20 0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 29.86 1pma h ARG 86 CO -0.00 -0.56 0.60 -0.24 -1.51 0.00 0.00 179.97 178.26 1pma h VAL 87 N -0.87 0.86 0.00 0.20 3.04 -1.50 0.21 116.25 118.19 1pma h VAL 87 Ca -0.05 -0.28 -0.08 0.00 -1.01 0.00 0.00 66.70 65.28 1pma h VAL 87 Cb 0.77 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.01 1pma h VAL 87 CO -0.09 0.15 -0.39 0.25 -1.01 0.00 0.00 177.57 176.47 1pma h LEU 88 N 0.81 0.00 0.29 3.16 5.85 -1.12 -2.21 115.31 122.10 1pma h LEU 88 Ca 0.48 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.18 1pma h LEU 88 Cb 0.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1pma h LEU 88 CO -0.24 0.39 -0.14 0.58 -0.34 0.00 0.00 178.44 178.69 1pma h VAL 89 N 0.00 0.65 -0.89 1.05 2.07 0.14 -2.93 116.25 116.33 1pma h VAL 89 Ca -0.00 -0.74 0.13 0.00 0.82 0.00 0.00 66.70 66.91 1pma h VAL 89 Cb 0.82 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 1pma h VAL 89 CO 0.05 0.13 0.57 0.44 0.02 0.00 0.00 177.57 178.78 1pma h ASP 90 N -0.85 0.67 -0.10 0.57 3.32 -1.22 0.11 116.42 118.93 1pma h ASP 90 Ca -0.04 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1pma h ASP 90 Cb 0.52 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1pma h ASP 90 CO 0.07 0.35 -0.04 0.15 -1.72 0.00 0.00 179.24 178.04 1pma h PHE 91 N 0.72 -0.10 -1.00 4.55 3.57 -1.41 -1.49 116.94 121.78 1pma h PHE 91 Ca 0.44 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.98 1pma h PHE 91 Cb 0.66 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.41 1pma h PHE 91 CO -0.00 -0.07 0.66 0.00 -2.23 0.00 0.00 178.31 176.66 1pma h ALA 92 N 1.06 1.33 0.31 2.41 0.00 -0.84 0.17 119.26 123.70 1pma h ALA 92 Ca 0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pma h ALA 92 Cb 0.11 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1pma h ALA 92 CO -0.12 0.58 -0.31 0.00 0.00 0.00 0.00 179.25 179.40 1pma h ARG 93 N 1.29 -0.63 -0.37 0.00 3.08 -0.46 0.49 114.38 117.78 1pma h ARG 93 Ca 0.39 0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.37 1pma h ARG 93 Cb -0.03 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1pma h ARG 93 CO -0.11 -0.42 -0.24 -0.84 -1.07 0.00 0.00 179.97 177.29 1pma h ILE 94 N -0.65 1.27 -0.53 2.04 3.07 -1.09 -1.53 117.51 120.09 1pma h ILE 94 Ca -0.02 -1.35 0.01 0.00 1.55 0.00 0.00 64.86 65.06 1pma h ILE 94 Cb 0.59 1.24 -0.03 0.00 -0.27 0.00 0.00 36.82 38.35 1pma h ILE 94 CO -0.06 0.45 0.35 -1.28 -1.05 0.00 0.00 178.15 176.56 1pma h SER 95 N 0.65 0.60 0.16 2.16 0.87 -0.29 0.14 113.55 117.83 1pma h SER 95 Ca 0.09 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1pma h SER 95 Cb 0.74 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1pma h SER 95 CO 0.06 0.43 -0.08 0.00 -0.53 0.00 0.00 176.83 176.71 1pma h ALA 96 N 1.67 -0.21 -0.75 6.23 0.00 0.72 -2.80 119.26 124.12 1pma h ALA 96 Ca 0.20 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.10 1pma h ALA 96 Cb -0.06 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 1pma h ALA 96 CO -0.04 -0.50 0.30 1.96 0.00 0.00 0.00 179.25 180.97 1pma h GLN 97 N -0.45 0.44 -0.15 0.00 1.08 -0.31 -1.32 115.11 114.39 1pma h GLN 97 Ca -0.02 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.20 1pma h GLN 97 Cb 0.35 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.64 1pma h GLN 97 CO 0.04 0.29 -0.14 1.96 -0.95 0.00 0.00 178.83 180.02 1pma h GLN 98 N 0.45 -0.16 -0.54 1.46 4.20 -0.59 -0.31 115.11 119.63 1pma h GLN 98 Ca 0.41 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.13 1pma h GLN 98 Cb 0.60 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 1pma h GLN 98 CO -0.39 -0.11 0.35 1.49 -0.67 0.00 0.00 178.83 179.50 1pma h GLU 99 N -0.16 0.72 -0.07 1.46 4.81 -1.01 -2.42 114.58 117.90 1pma h GLU 99 Ca 0.10 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1pma h GLU 99 Cb 0.31 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1pma h GLU 99 CO -0.25 0.48 0.04 0.87 -0.73 0.00 0.00 179.01 179.42 1pma h LYS 100 N 0.73 0.10 0.00 1.92 1.57 -0.67 -2.14 116.57 118.08 1pma h LYS 100 Ca 0.20 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1pma h LYS 100 Cb -0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1pma h LYS 100 CO -0.04 0.17 -0.18 -0.24 -0.57 0.00 0.00 179.45 178.59 1pma h VAL 101 N 0.00 0.61 0.00 0.50 3.04 -0.66 0.45 116.25 120.19 1pma h VAL 101 Ca 0.02 -0.83 -0.17 0.00 -1.01 0.00 0.00 66.70 64.71 1pma h VAL 101 Cb 0.11 1.54 -0.03 0.00 -2.01 0.00 0.00 31.29 30.90 1pma h VAL 101 CO -0.00 0.18 -1.10 0.35 -1.01 0.00 0.00 177.57 175.98 1pma n THR 102 N -3.56 1.50 0.46 3.17 -2.24 -0.95 -4.51 114.28 108.15 1pma n THR 102 Ca -0.01 0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 1pma n THR 102 Cb 0.33 -2.14 0.18 0.00 -2.10 0.00 0.00 70.33 66.60 1pma n THR 102 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1pma h TYR 103 N -1.00 0.00 0.00 4.78 0.05 -1.47 -3.48 116.97 115.85 1pma h TYR 103 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.52 1pma h TYR 103 Cb 1.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.82 1pma h TYR 103 CO -0.01 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.51 1pma n GLY 104 N 1.28 1.58 3.64 3.88 0.00 0.16 -4.99 105.19 110.74 1pma n GLY 104 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.08 -0.54 -1.16 1.61 0.15 -1.21 -4.91 113.70 104.55 1pma s SER 105 Ca 0.00 0.93 -0.21 0.00 0.70 0.00 0.00 55.95 57.37 1pma s SER 105 Cb 0.00 1.12 0.04 0.00 -1.71 0.00 0.00 66.02 65.47 1pma s SER 105 CO 0.00 -0.15 1.66 -0.22 1.20 0.00 0.00 173.24 175.73 1pma s LEU 106 N 0.98 3.60 0.02 3.45 2.96 -1.26 -4.74 118.68 123.68 1pma s LEU 106 Ca -0.05 -1.90 -0.24 0.00 -0.22 0.00 0.00 54.13 51.73 1pma s LEU 106 Cb -0.04 -2.58 -0.17 0.00 0.50 0.00 0.00 46.19 43.90 1pma s LEU 106 CO -0.12 -1.57 1.39 1.62 -1.32 0.00 0.00 176.35 176.35 1pma h VAL 107 N 6.19 1.30 -3.48 1.68 3.04 -1.97 -3.43 116.25 119.57 1pma h VAL 107 Ca 0.31 -0.95 -0.67 0.00 -1.01 0.00 0.00 66.70 64.38 1pma h VAL 107 Cb 0.94 1.82 -0.35 0.00 -2.01 0.00 0.00 31.29 31.69 1pma h VAL 107 CO 1.41 0.26 -0.80 0.21 -1.01 0.00 0.00 177.57 177.64 1pma s ASN 108 N -5.71 3.96 0.34 3.17 3.84 -1.26 -1.43 114.94 117.85 1pma s ASN 108 Ca -0.15 -0.98 0.06 0.00 0.21 0.00 0.00 52.86 52.00 1pma s ASN 108 Cb 0.04 -1.56 0.61 0.00 -0.55 0.00 0.00 41.25 39.79 1pma s ASN 108 CO 0.69 -0.11 1.84 -0.29 -2.79 0.00 0.00 177.10 176.45 1pma h ILE 109 N 6.29 1.21 -0.93 -5.21 2.10 -1.96 -2.39 117.51 116.62 1pma h ILE 109 Ca -0.32 -0.94 0.23 0.00 1.08 0.00 0.00 64.86 64.90 1pma h ILE 109 Cb 1.09 1.18 -0.12 0.00 -1.09 0.00 0.00 36.82 37.88 1pma h ILE 109 CO 0.56 0.30 0.45 -0.08 -1.08 0.00 0.00 178.15 178.30 1pma h GLU 110 N 0.37 0.44 -0.79 2.19 4.81 -2.00 0.43 114.58 120.03 1pma h GLU 110 Ca 0.07 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1pma h GLU 110 Cb 0.45 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1pma h GLU 110 CO 0.03 0.29 0.44 -0.97 -0.73 0.00 0.00 179.01 178.07 1pma h ASN 111 N 0.45 0.98 -0.31 1.04 -0.73 -1.86 -1.21 115.58 113.94 1pma h ASN 111 Ca 0.59 -0.09 0.05 0.00 1.87 0.00 0.00 56.30 58.71 1pma h ASN 111 Cb 1.11 -0.25 -0.04 0.00 0.27 0.00 0.00 38.32 39.41 1pma h ASN 111 CO -0.51 0.78 0.05 0.25 -0.37 0.00 0.00 177.43 177.63 1pma h LEU 112 N 1.09 -0.02 -0.62 0.34 5.85 -0.22 -1.57 115.31 120.15 1pma h LEU 112 Ca 0.28 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 59.01 1pma h LEU 112 Cb 0.01 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1pma h LEU 112 CO -0.05 0.02 0.20 1.62 -0.34 0.00 0.00 178.44 179.90 1pma h VAL 113 N 0.15 1.24 -0.67 1.05 3.04 -1.06 -2.61 116.25 117.40 1pma h VAL 113 Ca 0.15 -0.83 0.11 0.00 -1.01 0.00 0.00 66.70 65.12 1pma h VAL 113 Cb 0.17 0.61 -0.08 0.00 -2.01 0.00 0.00 31.29 29.98 1pma h VAL 113 CO -0.21 0.32 0.27 0.11 -1.01 0.00 0.00 177.57 177.04 1pma h LYS 114 N 0.89 0.44 0.20 4.17 1.57 -0.38 0.22 116.57 123.67 1pma h LYS 114 Ca 0.20 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1pma h LYS 114 Cb 0.28 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1pma h LYS 114 CO -0.01 0.29 -0.11 -0.09 -0.57 0.00 0.00 179.45 178.97 1pma h ARG 115 N 0.45 -0.27 -0.39 3.15 2.43 -0.95 0.38 114.38 119.18 1pma h ARG 115 Ca 0.34 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.53 1pma h ARG 115 Cb 0.44 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1pma h ARG 115 CO -0.33 -0.18 0.22 -0.24 -1.51 0.00 0.00 179.97 177.93 1pma h VAL 116 N -0.29 1.12 -0.24 0.20 3.04 -1.18 -1.53 116.25 117.37 1pma h VAL 116 Ca -0.02 -0.29 -0.01 0.00 -1.01 0.00 0.00 66.70 65.36 1pma h VAL 116 Cb 0.23 0.59 -0.01 0.00 -2.01 0.00 0.00 31.29 30.09 1pma h VAL 116 CO 0.03 0.13 0.10 0.00 -1.01 0.00 0.00 177.57 176.82 1pma h ALA 117 N 1.71 0.31 -0.84 3.17 0.00 0.34 -2.47 119.26 121.48 1pma h ALA 117 Ca 0.14 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1pma h ALA 117 Cb 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1pma h ALA 117 CO -0.02 -0.10 0.55 -0.44 0.00 0.00 0.00 179.25 179.24 1pma h ASP 118 N 0.23 0.95 -0.26 0.00 3.32 -0.31 0.19 116.42 120.55 1pma h ASP 118 Ca 0.08 -0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.16 1pma h ASP 118 Cb 0.18 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.43 1pma h ASP 118 CO -0.01 0.69 -0.10 -0.61 -1.72 0.00 0.00 179.24 177.49 1pma h GLN 119 N 1.13 -0.06 -0.52 3.56 -0.00 -0.87 -0.97 115.11 117.37 1pma h GLN 119 Ca 0.31 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.88 1pma h GLN 119 Cb -0.12 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.35 1pma h GLN 119 CO -0.07 -0.04 -0.01 0.52 0.00 0.00 0.00 178.83 179.23 1pma h MET 120 N -0.06 0.90 -0.25 1.69 2.86 -0.82 -2.64 114.93 116.61 1pma h MET 120 Ca 0.13 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1pma h MET 120 Cb 0.26 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1pma h MET 120 CO -0.30 0.90 0.10 0.37 1.06 0.00 0.00 176.91 179.04 1pma h GLN 121 N 0.83 0.34 -0.50 1.72 -0.00 0.17 -2.84 115.11 114.82 1pma h GLN 121 Ca 0.15 -0.03 0.01 0.00 -0.00 0.00 0.00 58.65 58.78 1pma h GLN 121 Cb 0.50 -0.07 -0.03 0.00 0.00 0.00 0.00 27.48 27.89 1pma h GLN 121 CO 0.02 0.28 0.33 1.96 0.00 0.00 0.00 178.83 181.42 1pma h GLN 122 N 0.34 0.65 0.00 1.69 4.20 -0.82 -1.14 115.11 120.03 1pma h GLN 122 Ca 0.09 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1pma h GLN 122 Cb 0.06 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1pma h GLN 122 CO -0.01 0.43 0.00 0.66 -0.67 0.00 0.00 178.83 179.24 1pma n TYR 123 N -4.75 0.00 0.18 2.96 4.02 -1.08 -1.78 117.16 116.72 1pma n TYR 123 Ca 0.02 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.98 1pma n TYR 123 Cb 0.03 -0.19 0.18 0.00 -0.02 0.00 0.00 39.34 39.34 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 0.60 0.00 -0.72 2.02 -1.22 -3.40 112.91 110.20 1pma h THR 124 Ca 0.00 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.52 1pma h THR 124 Cb 0.09 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 1pma h THR 124 CO 0.00 0.32 -0.39 0.00 0.37 0.00 0.00 175.52 175.82 1pma n GLN 125 N -3.25 3.66 -0.67 6.66 10.64 -0.73 -4.90 117.38 128.79 1pma n GLN 125 Ca 0.02 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.07 1pma n GLN 125 Cb 0.60 -0.69 -0.08 0.00 -0.86 0.00 0.00 30.24 29.21 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 -0.58 0.39 0.00 2.61 4.01 -0.78 -4.94 117.16 117.87 1pma n TYR 126 Ca 0.00 -1.24 0.00 0.00 -0.16 0.00 0.00 57.90 56.50 1pma n TYR 126 Cb 0.00 -1.31 0.00 0.00 -0.31 0.00 0.00 39.34 37.72 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 2.96 2.82 3.11 2.72 0.00 -1.26 -4.47 105.19 111.07 1pma n GLY 127 Ca 0.33 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 46.33 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 0.45 3.65 -0.02 0.00 -1.26 -4.59 105.19 103.41 1pma n GLY 128 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 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 4.49 0.00 0.15 1.61 0.11 -1.26 -5.15 120.40 120.35 1pma s VAL 129 Ca 0.25 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.00 1pma s VAL 129 Cb 0.05 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.83 1pma s VAL 129 CO 0.13 0.00 1.09 -0.60 -3.33 0.00 0.00 175.10 172.39 1pma s ARG 130 N 0.79 4.59 1.08 1.54 3.52 -1.26 -4.92 118.95 124.29 1pma s ARG 130 Ca -0.04 1.68 -0.12 0.00 -0.13 0.00 0.00 55.73 57.13 1pma s ARG 130 Cb -0.03 -3.30 0.24 0.00 -1.56 0.00 0.00 34.95 30.29 1pma s ARG 130 CO -0.12 0.06 1.07 -2.14 -0.81 0.00 0.00 175.30 173.35 1pma s PRO 131 N -0.16 -0.24 -0.41 5.12 0.02 -1.26 -4.94 135.00 133.13 1pma s PRO 131 Ca 0.50 1.03 -0.29 0.00 0.02 0.00 0.00 61.00 62.26 1pma s PRO 131 Cb -0.28 -1.62 0.02 0.00 0.02 0.00 0.00 34.50 32.64 1pma s PRO 131 CO 0.34 -3.32 1.15 0.71 -0.33 0.00 0.00 177.00 175.54 1pma s TYR 132 N -2.55 2.89 -1.39 6.54 2.02 -1.26 -4.94 117.35 118.66 1pma s TYR 132 Ca 0.68 0.88 -0.13 0.00 -0.37 0.00 0.00 57.07 58.13 1pma s TYR 132 Cb -0.24 -4.15 0.08 0.00 -0.40 0.00 0.00 41.96 37.26 1pma s TYR 132 CO 0.62 -1.18 2.07 0.41 -1.57 0.00 0.00 175.55 175.91 1pma n GLY 133 N 4.50 4.38 3.50 0.71 0.00 -1.26 -4.52 105.19 112.50 1pma n GLY 133 Ca 0.12 -1.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.27 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 2.39 0.00 0.07 1.61 0.11 -1.26 -0.18 120.40 123.14 1pma s VAL 134 Ca 0.45 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.54 1pma s VAL 134 Cb 0.12 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.94 1pma s VAL 134 CO -0.05 0.00 -0.12 -0.44 -3.33 0.00 0.00 175.10 171.16 1pma s SER 135 N -1.75 1.46 0.22 3.54 0.01 -0.11 -2.57 113.70 114.51 1pma s SER 135 Ca -0.04 -0.66 -0.18 0.00 1.31 0.00 0.00 55.95 56.38 1pma s SER 135 Cb -0.00 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.23 1pma s SER 135 CO -0.00 -0.15 0.58 -1.48 0.41 0.00 0.00 173.24 172.59 1pma s LEU 136 N -1.91 -0.03 -0.01 2.44 0.05 0.31 -0.13 118.68 119.39 1pma s LEU 136 Ca -0.01 -0.55 0.03 0.00 0.05 0.00 0.00 54.13 53.65 1pma s LEU 136 Cb -0.08 2.28 -0.01 0.00 -2.05 0.00 0.00 46.19 46.34 1pma s LEU 136 CO 0.01 -1.14 -0.11 0.27 -0.55 0.00 0.00 176.35 174.83 1pma s ILE 137 N -3.90 0.91 -0.08 1.48 -4.36 0.04 0.61 121.20 115.89 1pma s ILE 137 Ca 0.11 -0.47 -0.01 0.00 -0.26 0.00 0.00 60.65 60.02 1pma s ILE 137 Cb -0.02 -0.77 -0.03 0.00 1.25 0.00 0.00 42.46 42.89 1pma s ILE 137 CO 0.01 0.26 -0.02 -0.36 0.24 0.00 0.00 174.94 175.07 1pma s PHE 138 N -0.15 3.08 -0.01 1.37 0.08 0.45 -1.48 117.98 121.32 1pma s PHE 138 Ca 0.02 0.12 -0.03 0.00 0.12 0.00 0.00 56.93 57.16 1pma s PHE 138 Cb -0.06 -1.77 0.00 0.00 -0.57 0.00 0.00 43.02 40.62 1pma s PHE 138 CO -0.00 0.40 0.06 0.00 -0.10 0.00 0.00 175.22 175.58 1pma s ALA 139 N -0.80 -0.14 0.00 5.36 0.00 0.46 -0.74 121.76 125.90 1pma s ALA 139 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1pma s ALA 139 Cb -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1pma s ALA 139 CO 0.02 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1pma n GLY 140 N 2.56 -0.78 3.25 0.00 0.00 -0.85 -0.78 105.19 108.59 1pma n GLY 140 Ca -0.16 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.00 2.40 0.00 -0.61 -1.16 -1.11 0.94 121.20 119.65 1pma s ILE 141 Ca 0.00 -0.88 0.00 0.00 -0.51 0.00 0.00 60.65 59.26 1pma s ILE 141 Cb 0.00 -1.97 0.00 0.00 0.61 0.00 0.00 42.46 41.10 1pma s ILE 141 CO 0.00 0.54 0.00 -0.90 -2.81 0.00 0.00 174.94 171.77 1pma n ASP 142 N 3.76 1.92 0.02 4.50 3.85 0.74 -4.86 116.55 126.48 1pma n ASP 142 Ca -0.19 -0.57 0.14 0.00 -0.71 0.00 0.00 54.79 53.46 1pma n ASP 142 Cb 0.52 0.00 0.60 0.00 -1.35 0.00 0.00 41.12 40.89 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 0.18 0.00 0.11 5.75 -1.50 0.17 115.11 119.81 1pma h GLN 143 Ca 0.00 -0.01 -0.18 0.00 -0.15 0.00 0.00 58.65 58.31 1pma h GLN 143 Cb 0.00 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 1pma h GLN 143 CO 0.00 0.12 -0.95 0.82 -2.65 0.00 0.00 178.83 176.16 1pma h ILE 144 N 0.18 1.21 0.00 2.39 2.04 -1.96 -3.51 117.51 117.87 1pma h ILE 144 Ca 0.21 -2.79 0.00 0.00 1.00 0.00 0.00 64.86 63.28 1pma h ILE 144 Cb 0.60 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 1pma h ILE 144 CO -0.03 0.69 0.00 0.61 0.00 0.00 0.00 178.15 179.41 1pma n GLY 145 N 1.34 0.83 3.74 5.37 0.00 0.60 -5.05 105.19 112.02 1pma n GLY 145 Ca -0.02 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.47 4.25 0.02 1.61 0.02 -1.26 -0.18 135.00 137.99 1pma s PRO 146 Ca 0.00 2.33 0.02 0.00 0.02 0.00 0.00 61.00 63.37 1pma s PRO 146 Cb 0.00 -3.11 -0.02 0.00 0.02 0.00 0.00 34.50 31.39 1pma s PRO 146 CO 0.00 -0.47 -0.06 1.03 -0.33 0.00 0.00 177.00 177.17 1pma s ARG 147 N -0.13 0.46 -0.08 5.54 0.52 0.27 -4.91 118.95 120.61 1pma s ARG 147 Ca 0.61 -0.50 -0.01 0.00 -0.52 0.00 0.00 55.73 55.31 1pma s ARG 147 Cb -0.42 -0.31 0.03 0.00 0.52 0.00 0.00 34.95 34.76 1pma s ARG 147 CO 0.42 0.07 -0.03 -1.17 0.02 0.00 0.00 175.30 174.60 1pma s LEU 148 N -0.95 0.88 0.11 2.53 2.96 -1.26 -2.00 118.68 120.95 1pma s LEU 148 Ca -0.05 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 1pma s LEU 148 Cb -0.07 -0.58 -0.04 0.00 0.50 0.00 0.00 46.19 46.00 1pma s LEU 148 CO 0.00 -0.15 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.41 1pma s PHE 149 N 1.76 1.17 0.10 5.38 0.08 0.08 -0.53 117.98 126.00 1pma s PHE 149 Ca 0.03 -0.66 0.03 0.00 0.12 0.00 0.00 56.93 56.46 1pma s PHE 149 Cb -0.13 -0.62 -0.04 0.00 -0.57 0.00 0.00 43.02 41.67 1pma s PHE 149 CO -0.06 0.04 -0.10 0.16 -0.10 0.00 0.00 175.22 175.17 1pma s ASP 150 N -2.60 1.41 -0.11 1.36 -4.77 -0.90 -0.41 116.67 110.65 1pma s ASP 150 Ca 0.08 -0.82 -0.10 0.00 -3.30 0.00 0.00 52.55 48.42 1pma s ASP 150 Cb -0.02 0.02 0.03 0.00 -1.09 0.00 0.00 42.92 41.86 1pma s ASP 150 CO 0.01 -0.28 0.30 0.00 0.70 0.00 0.00 175.17 175.90 1pma s ASP 152 N 0.35 4.86 0.66 0.00 -4.77 -0.98 -0.53 116.67 116.25 1pma s ASP 152 Ca -0.02 -0.85 0.36 0.00 -3.30 0.00 0.00 52.55 48.75 1pma s ASP 152 Cb -0.03 -0.53 1.97 0.00 -1.09 0.00 0.00 42.92 43.24 1pma s ASP 152 CO -0.01 -0.63 2.11 -0.65 0.70 0.00 0.00 175.17 176.69 1pma h PRO 153 N 1.14 0.00 0.00 2.11 0.11 -1.73 0.12 132.00 133.75 1pma h PRO 153 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1pma h PRO 153 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1pma h PRO 153 CO 0.61 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.40 1pma n ALA 154 N -1.97 2.22 -0.35 -0.75 0.00 -1.26 -4.69 120.51 113.71 1pma n ALA 154 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1pma n ALA 154 Cb 0.23 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1pma n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pma n GLY 155 N 1.19 0.76 3.74 0.00 0.00 0.42 -4.48 105.19 106.81 1pma n GLY 155 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.30 3.99 -0.01 2.61 2.01 -1.26 -4.78 115.64 115.90 1pma s THR 156 Ca 0.00 1.70 0.02 0.00 0.31 0.00 0.00 61.69 63.72 1pma s THR 156 Cb 0.00 -4.08 -0.00 0.00 0.01 0.00 0.00 72.50 68.42 1pma s THR 156 CO 0.00 0.28 -0.06 -0.51 -0.69 0.00 0.00 174.62 173.64 1pma s ILE 157 N -0.17 0.54 -0.00 1.82 2.07 -1.26 -2.32 121.20 121.87 1pma s ILE 157 Ca 0.49 -0.27 -0.08 0.00 -1.41 0.00 0.00 60.65 59.38 1pma s ILE 157 Cb -0.28 -0.47 0.00 0.00 0.13 0.00 0.00 42.46 41.84 1pma s ILE 157 CO 0.34 0.16 0.16 0.20 -1.91 0.00 0.00 174.94 173.89 1pma s ASN 158 N -0.01 -0.00 -0.15 4.50 -0.87 -1.09 -5.00 114.94 112.31 1pma s ASN 158 Ca 0.01 -0.16 -0.09 0.00 -1.57 0.00 0.00 52.86 51.05 1pma s ASN 158 Cb -0.04 0.22 -0.05 0.00 -0.02 0.00 0.00 41.25 41.36 1pma s ASN 158 CO -0.00 -0.37 0.15 -0.70 -2.57 0.00 0.00 177.10 173.61 1pma s GLU 159 N -1.34 3.81 0.45 -0.60 2.12 -1.26 -2.11 118.70 119.77 1pma s GLU 159 Ca -0.14 -0.14 0.05 0.00 0.36 0.00 0.00 54.97 55.10 1pma s GLU 159 Cb -0.07 -3.30 -0.05 0.00 0.26 0.00 0.00 34.13 30.97 1pma s GLU 159 CO 0.02 0.55 0.05 0.71 -0.54 0.00 0.00 175.26 176.05 1pma s TYR 160 N -0.38 2.29 -0.11 5.30 1.51 0.31 -4.99 117.35 121.28 1pma s TYR 160 Ca 0.12 -0.75 0.16 0.00 -1.01 0.00 0.00 57.07 55.59 1pma s TYR 160 Cb -0.12 -1.76 -0.24 0.00 -0.11 0.00 0.00 41.96 39.73 1pma s TYR 160 CO 0.02 0.30 0.19 1.17 -1.11 0.00 0.00 175.55 176.13 1pma n LYS 161 N -1.13 0.98 -3.62 -0.62 3.00 -1.26 -4.36 118.16 111.14 1pma n LYS 161 Ca -0.09 -0.07 -0.06 0.00 -0.00 0.00 0.00 58.31 58.10 1pma n LYS 161 Cb 0.67 -1.43 -0.05 0.00 0.00 0.00 0.00 35.03 34.21 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 -2.74 -2.06 0.07 3.14 0.00 -1.26 -1.01 121.76 117.90 1pma s ALA 162 Ca -0.08 1.76 -0.27 0.00 0.00 0.00 0.00 51.96 53.38 1pma s ALA 162 Cb 0.08 -1.27 0.09 0.00 0.00 0.00 0.00 23.12 22.02 1pma s ALA 162 CO 0.71 -0.25 1.16 -0.08 0.00 0.00 0.00 175.76 177.31 1pma s THR 163 N -0.85 0.00 0.29 0.00 -1.32 -0.13 -4.98 115.64 108.65 1pma s THR 163 Ca 0.05 -0.39 -0.03 0.00 -1.21 0.00 0.00 61.69 60.11 1pma s THR 163 Cb -0.01 -2.49 -0.01 0.00 -1.51 0.00 0.00 72.50 68.47 1pma s THR 163 CO -0.05 0.00 0.37 0.00 -2.21 0.00 0.00 174.62 172.73 1pma s ALA 164 N -2.40 0.78 0.14 11.08 0.00 -1.26 -0.70 121.76 129.39 1pma s ALA 164 Ca 0.20 -1.49 -0.25 0.00 0.00 0.00 0.00 51.96 50.42 1pma s ALA 164 Cb 0.00 1.23 0.07 0.00 0.00 0.00 0.00 23.12 24.42 1pma s ALA 164 CO 0.01 -0.74 0.78 -1.50 0.00 0.00 0.00 175.76 174.30 1pma s ILE 165 N -3.57 0.00 0.00 0.00 1.10 0.26 -4.92 121.20 114.06 1pma s ILE 165 Ca 0.32 -0.34 0.00 0.00 -0.51 0.00 0.00 60.65 60.12 1pma s ILE 165 Cb 0.02 -1.40 0.00 0.00 0.15 0.00 0.00 42.46 41.22 1pma s ILE 165 CO 0.17 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.61 1pma n GLY 166 N -0.38 0.39 0.00 1.50 0.00 -1.25 -1.24 105.19 104.21 1pma n GLY 166 Ca -0.10 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1pma n GLY 166 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pma n SER 167 N 0.00 0.00 -1.46 1.61 2.88 0.78 -3.73 113.62 113.69 1pma n SER 167 Ca 0.00 0.93 -0.01 0.00 -1.33 0.00 0.00 58.87 58.46 1pma n SER 167 Cb 0.00 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 1pma n SER 167 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pma n GLY 168 N -0.80 2.52 0.28 0.46 0.00 -1.26 -4.59 105.19 101.82 1pma n GLY 168 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 0.90 -0.67 -0.90 1.61 3.64 -1.82 -1.63 116.57 117.71 1pma h LYS 169 Ca 0.02 0.05 0.25 0.00 -1.27 0.00 0.00 60.65 59.69 1pma h LYS 169 Cb 1.00 0.15 -0.15 0.00 -0.41 0.00 0.00 32.23 32.82 1pma h LYS 169 CO 0.04 -0.45 0.19 -0.44 -2.27 0.00 0.00 179.45 176.52 1pma h ASP 170 N -0.70 -0.12 0.05 4.20 3.32 -1.90 0.23 116.42 121.50 1pma h ASP 170 Ca -0.07 0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1pma h ASP 170 Cb 0.54 0.32 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1pma h ASP 170 CO 0.09 -0.22 -0.02 0.00 -1.72 0.00 0.00 179.24 177.37 1pma h ALA 171 N 1.84 -0.80 -0.90 3.45 0.00 -1.87 -2.53 119.26 118.44 1pma h ALA 171 Ca 0.57 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.61 1pma h ALA 171 Cb 1.18 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 1pma h ALA 171 CO -0.73 -0.80 0.50 -0.24 0.00 0.00 0.00 179.25 177.99 1pma h VAL 172 N -0.08 0.77 -0.96 0.00 3.04 -0.92 0.57 116.25 118.66 1pma h VAL 172 Ca -0.01 -0.25 0.05 0.00 -1.01 0.00 0.00 66.70 65.48 1pma h VAL 172 Cb 0.05 -0.02 -0.06 0.00 -2.01 0.00 0.00 31.29 29.25 1pma h VAL 172 CO 0.01 0.13 0.62 1.62 -1.01 0.00 0.00 177.57 178.95 1pma h VAL 173 N 0.72 1.13 -0.62 1.51 3.04 -0.61 -1.71 116.25 119.71 1pma h VAL 173 Ca 0.49 -0.40 -0.08 0.00 -1.01 0.00 0.00 66.70 65.69 1pma h VAL 173 Cb 0.66 -0.15 -0.02 0.00 -2.01 0.00 0.00 31.29 29.76 1pma h VAL 173 CO -0.34 0.21 0.08 0.28 -1.01 0.00 0.00 177.57 176.79 1pma h SER 174 N 1.18 1.00 0.03 3.17 0.02 -0.44 0.30 113.55 118.82 1pma h SER 174 Ca 0.40 -0.27 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1pma h SER 174 Cb 0.07 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.30 1pma h SER 174 CO -0.14 1.02 -0.22 0.15 -1.14 0.00 0.00 176.83 176.50 1pma h PHE 175 N 0.95 -0.58 0.12 3.45 3.04 -0.86 -1.18 116.94 121.88 1pma h PHE 175 Ca 0.18 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.15 1pma h PHE 175 Cb 0.46 0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.23 1pma h PHE 175 CO 0.03 -0.31 -0.06 -0.07 -2.02 0.00 0.00 178.31 175.89 1pma h LEU 176 N -0.37 -0.14 -1.67 0.59 -0.00 -1.07 0.48 115.31 113.13 1pma h LEU 176 Ca 0.05 0.00 0.48 0.00 -0.00 0.00 0.00 57.88 58.41 1pma h LEU 176 Cb 0.43 0.04 -0.10 0.00 -0.00 0.00 0.00 40.66 41.02 1pma h LEU 176 CO -0.18 -0.09 1.06 -0.08 -0.00 0.00 0.00 178.44 179.15 1pma h GLU 177 N -0.16 0.04 0.00 1.13 4.57 -0.01 0.26 114.58 120.40 1pma h GLU 177 Ca -0.02 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1pma h GLU 177 Cb 0.13 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1pma h GLU 177 CO 0.03 0.03 -0.40 -2.13 -1.18 0.00 0.00 179.01 175.35 1pma n ARG 178 N -4.38 0.29 -0.42 1.92 0.63 -0.48 -4.67 116.66 109.55 1pma n ARG 178 Ca 0.39 0.33 0.05 0.00 -0.92 0.00 0.00 57.85 57.70 1pma n ARG 178 Cb 1.64 -1.25 0.22 0.00 0.45 0.00 0.00 32.46 33.52 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 -3.70 2.84 -2.41 -0.14 1.02 0.16 -4.94 120.64 113.46 1pma n GLU 179 Ca -0.06 -1.74 -0.42 0.00 -0.02 0.00 0.00 57.16 54.92 1pma n GLU 179 Cb 0.21 -1.74 -0.03 0.00 -0.02 0.00 0.00 31.44 29.87 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 -1.82 3.37 -0.34 -0.32 5.04 0.87 -4.94 117.35 119.22 1pma s TYR 180 Ca 0.31 1.25 -0.07 0.00 -2.44 0.00 0.00 57.07 56.12 1pma s TYR 180 Cb 0.21 -3.44 0.04 0.00 0.35 0.00 0.00 41.96 39.12 1pma s TYR 180 CO 0.13 -1.37 0.12 0.21 -1.34 0.00 0.00 175.55 173.30 1pma s LYS 181 N 1.29 2.69 0.00 4.97 2.47 -1.26 -5.04 119.74 124.87 1pma s LYS 181 Ca 0.59 -1.14 0.00 0.00 -1.56 0.00 0.00 55.97 53.86 1pma s LYS 181 Cb -0.29 -3.50 0.00 0.00 -1.46 0.00 0.00 37.83 32.58 1pma s LYS 181 CO 0.28 -0.65 0.05 -1.91 0.16 0.00 0.00 175.35 173.28 1pma n GLU 182 N 4.85 0.00 -1.69 4.03 4.07 -1.26 -2.47 120.64 128.16 1pma n GLU 182 Ca -0.12 0.05 -0.36 0.00 -0.06 0.00 0.00 57.16 56.67 1pma n GLU 182 Cb 0.45 -0.16 0.03 0.00 -0.06 0.00 0.00 31.44 31.69 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 -0.27 7.32 -4.68 4.31 5.03 -1.26 -4.63 115.26 121.08 1pma n ASN 183 Ca 0.00 -3.68 -0.42 0.00 0.87 0.00 0.00 54.58 51.35 1pma n ASN 183 Cb 0.00 -1.08 -0.03 0.00 -1.02 0.00 0.00 39.78 37.65 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 -3.58 4.36 0.41 3.41 2.96 -1.03 -4.29 118.68 120.93 1pma s LEU 184 Ca 0.55 2.47 -0.26 0.00 -0.22 0.00 0.00 54.13 56.66 1pma s LEU 184 Cb 0.43 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 43.48 1pma s LEU 184 CO -0.30 -0.91 1.33 -2.84 -1.32 0.00 0.00 176.35 172.32 1pma s PRO 185 N 2.98 3.91 0.05 0.98 0.02 -1.26 -1.28 135.00 140.40 1pma s PRO 185 Ca 0.75 2.22 -0.10 0.00 0.02 0.00 0.00 61.00 63.89 1pma s PRO 185 Cb -0.39 -2.74 -0.02 0.00 0.02 0.00 0.00 34.50 31.36 1pma s PRO 185 CO 0.33 -0.56 0.55 -1.91 -0.33 0.00 0.00 177.00 175.07 1pma n GLU 186 N 0.07 -0.14 -0.20 5.54 2.13 -1.26 -0.32 120.64 126.47 1pma n GLU 186 Ca 0.04 0.54 0.01 0.00 0.66 0.00 0.00 57.16 58.40 1pma n GLU 186 Cb 0.43 -0.79 0.11 0.00 0.27 0.00 0.00 31.44 31.46 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 0.23 -0.10 5.31 3.64 -2.00 0.16 116.57 123.81 1pma h LYS 187 Ca 0.05 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.25 1pma h LYS 187 Cb 0.13 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1pma h LYS 187 CO -0.30 0.15 -0.65 0.93 -2.27 0.00 0.00 179.45 177.31 1pma h GLU 188 N 0.24 0.39 -0.05 1.90 5.08 -1.02 -2.63 114.58 118.49 1pma h GLU 188 Ca 0.31 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1pma h GLU 188 Cb 0.48 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1pma h GLU 188 CO -0.42 0.90 0.02 0.00 -1.00 0.00 0.00 179.01 178.51 1pma h ALA 189 N 1.02 0.06 -0.92 3.43 0.00 0.05 0.55 119.26 123.45 1pma h ALA 189 Ca -0.01 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1pma h ALA 189 Cb 1.20 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1pma h ALA 189 CO 0.11 -0.34 0.61 -0.24 0.00 0.00 0.00 179.25 179.39 1pma h VAL 190 N -0.10 1.21 0.69 0.00 3.04 -0.77 -0.50 116.25 119.81 1pma h VAL 190 Ca 0.02 -0.42 -0.03 0.00 -1.01 0.00 0.00 66.70 65.25 1pma h VAL 190 Cb 0.19 -0.12 0.01 0.00 -2.01 0.00 0.00 31.29 29.36 1pma h VAL 190 CO -0.00 0.22 -0.33 0.74 -1.01 0.00 0.00 177.57 177.19 1pma h THR 191 N 1.22 0.00 -0.94 3.17 2.02 -1.07 0.21 112.91 117.52 1pma h THR 191 Ca 0.35 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.80 1pma h THR 191 Cb -0.09 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.17 1pma h THR 191 CO -0.09 0.00 0.36 0.25 0.37 0.00 0.00 175.52 176.42 1pma h LEU 192 N -0.92 0.18 0.77 2.58 5.85 -0.70 0.25 115.31 123.32 1pma h LEU 192 Ca -0.09 0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1pma h LEU 192 Cb 0.71 0.23 0.01 0.00 0.37 0.00 0.00 40.66 41.98 1pma h LEU 192 CO 0.15 -0.17 -0.37 1.23 -0.34 0.00 0.00 178.44 178.94 1pma h GLY 193 N 0.23 -1.09 0.81 3.75 0.00 -0.72 0.16 103.07 106.21 1pma h GLY 193 Ca 0.64 0.40 0.14 0.00 0.00 0.00 0.00 47.33 48.51 1pma h GLY 193 CO -0.66 -0.39 0.46 1.19 0.00 0.00 0.00 176.54 177.13 1pma h ILE 194 N -1.09 0.80 0.04 2.60 2.10 0.18 0.36 117.51 122.50 1pma h ILE 194 Ca -0.11 -0.11 -0.00 0.00 1.08 0.00 0.00 64.86 65.72 1pma h ILE 194 Cb 0.80 0.45 0.00 0.00 -1.09 0.00 0.00 36.82 36.98 1pma h ILE 194 CO 0.17 0.06 -0.02 0.50 -1.08 0.00 0.00 178.15 177.78 1pma h LYS 195 N 0.32 -0.06 -0.55 2.19 3.64 -0.41 -0.19 116.57 121.51 1pma h LYS 195 Ca 0.33 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.76 1pma h LYS 195 Cb 0.83 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.62 1pma h LYS 195 CO -0.08 0.24 0.29 0.00 -2.27 0.00 0.00 179.45 177.63 1pma h ALA 196 N 0.58 0.72 -0.74 5.00 0.00 0.25 -1.45 119.26 123.62 1pma h ALA 196 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1pma h ALA 196 Cb 0.32 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1pma h ALA 196 CO 0.01 -0.04 0.42 1.25 0.00 0.00 0.00 179.25 180.89 1pma h LEU 197 N 0.56 0.91 0.00 0.00 5.85 -0.40 -3.01 115.31 119.23 1pma h LEU 197 Ca 0.24 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1pma h LEU 197 Cb 0.13 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1pma h LEU 197 CO -0.16 0.74 0.00 1.17 -0.34 0.00 0.00 178.44 179.85 1pma n LYS 198 N -4.48 0.00 -0.21 1.25 4.81 -0.09 -2.83 118.16 116.60 1pma n LYS 198 Ca 0.07 0.37 -0.04 0.00 -0.87 0.00 0.00 58.31 57.84 1pma n LYS 198 Cb 0.08 -1.26 -0.02 0.00 0.02 0.00 0.00 35.03 33.85 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 -1.44 -0.46 0.00 3.14 3.41 -0.64 0.81 113.62 118.43 1pma n SER 199 Ca 0.00 0.91 0.00 0.00 -0.26 0.00 0.00 58.87 59.52 1pma n SER 199 Cb 0.00 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 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 -4.69 0.00 0.29 4.04 2.88 -1.14 -3.08 113.62 111.92 1pma n SER 200 Ca 0.03 0.05 0.20 0.00 -1.33 0.00 0.00 58.87 57.81 1pma n SER 200 Cb 0.16 0.00 0.99 0.00 -0.75 0.00 0.00 64.21 64.61 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 -3.00 2.46 7.12 -1.35 -3.30 115.31 117.24 1pma h LEU 201 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1pma h LEU 201 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1pma h LEU 201 CO 0.00 0.00 0.00 -0.62 -0.13 0.00 0.00 178.44 177.69 1pma n GLU 202 N -2.91 0.50 0.12 1.25 4.71 0.24 -3.21 120.64 121.34 1pma n GLU 202 Ca -0.02 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.11 1pma n GLU 202 Cb 0.12 -1.25 0.12 0.00 -1.01 0.00 0.00 31.44 29.42 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 1.99 0.01 -1.11 3.49 4.22 -1.75 -2.73 114.58 118.70 1pma h GLU 203 Ca 0.00 -0.01 -0.38 0.00 0.08 0.00 0.00 59.36 59.05 1pma h GLU 203 Cb 0.50 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.56 1pma h GLU 203 CO 0.00 0.69 0.48 0.41 -2.18 0.00 0.00 179.01 178.41 1pma n GLY 204 N 0.43 3.99 5.18 1.92 0.00 -1.20 -4.98 105.19 110.53 1pma n GLY 204 Ca -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.43 0.00 -1.90 1.61 4.07 -1.03 -4.79 120.64 118.17 1pma n GLU 205 Ca 0.40 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 57.08 1pma n GLU 205 Cb 1.07 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 32.42 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 4.18 0.32 5.31 2.12 -1.26 -4.86 118.70 124.50 1pma s GLU 206 Ca 0.00 2.35 0.26 0.00 0.36 0.00 0.00 54.97 57.93 1pma s GLU 206 Cb 0.00 -3.87 0.77 0.00 0.26 0.00 0.00 34.13 31.29 1pma s GLU 206 CO 0.00 -0.83 1.74 1.25 -0.54 0.00 0.00 175.26 176.88 1pma h LEU 207 N 9.64 0.00 0.00 2.70 5.85 -1.97 -3.48 115.31 128.05 1pma h LEU 207 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 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 0.94 0.00 0.00 1.17 -0.34 0.00 0.00 178.44 180.21 1pma n LYS 208 N -2.57 0.00 -3.74 1.25 3.00 -1.26 -4.37 118.16 110.47 1pma n LYS 208 Ca 0.04 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.98 1pma n LYS 208 Cb 0.41 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.33 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 -1.92 3.17 0.66 3.14 0.00 -1.26 -5.07 121.76 120.49 1pma s ALA 209 Ca 0.00 -2.42 -0.14 0.00 0.00 0.00 0.00 51.96 49.41 1pma s ALA 209 Cb 0.00 -2.45 -0.00 0.00 0.00 0.00 0.00 23.12 20.67 1pma s ALA 209 CO 0.00 -1.75 1.08 -2.14 0.00 0.00 0.00 175.76 172.95 1pma s PRO 210 N 1.22 2.89 -0.22 0.00 0.02 -1.26 -3.26 135.00 134.39 1pma s PRO 210 Ca 0.06 1.21 -0.05 0.00 0.02 0.00 0.00 61.00 62.24 1pma s PRO 210 Cb -0.23 -1.97 -0.02 0.00 0.02 0.00 0.00 34.50 32.30 1pma s PRO 210 CO -0.03 -1.15 -0.01 -2.00 -0.33 0.00 0.00 177.00 173.48 1pma s GLU 211 N -4.41 3.50 0.01 5.54 2.12 0.95 -4.82 118.70 121.59 1pma s GLU 211 Ca 0.63 -0.57 0.02 0.00 0.36 0.00 0.00 54.97 55.41 1pma s GLU 211 Cb -0.17 -3.07 -0.01 0.00 0.26 0.00 0.00 34.13 31.14 1pma s GLU 211 CO 0.45 -0.12 -0.06 -1.50 -0.54 0.00 0.00 175.26 173.50 1pma s ILE 212 N 1.31 0.43 0.05 -3.70 2.07 -1.26 -0.37 121.20 119.73 1pma s ILE 212 Ca 0.04 -0.39 -0.10 0.00 -1.41 0.00 0.00 60.65 58.79 1pma s ILE 212 Cb -0.14 -0.39 0.01 0.00 0.13 0.00 0.00 42.46 42.06 1pma s ILE 212 CO -0.00 0.01 0.21 0.00 -1.91 0.00 0.00 174.94 173.25 1pma s ALA 213 N -0.38 -0.39 0.15 1.50 0.00 -0.63 -1.10 121.76 120.91 1pma s ALA 213 Ca -0.01 -0.31 -0.18 0.00 0.00 0.00 0.00 51.96 51.47 1pma s ALA 213 Cb -0.04 0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.47 1pma s ALA 213 CO -0.00 -0.41 0.47 -1.54 0.00 0.00 0.00 175.76 174.28 1pma s SER 214 N -2.27 -0.32 0.03 0.00 1.04 0.64 -0.94 113.70 111.88 1pma s SER 214 Ca -0.03 -0.28 -0.02 0.00 0.48 0.00 0.00 55.95 56.10 1pma s SER 214 Cb 0.00 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 1pma s SER 214 CO -0.06 -0.92 0.01 -0.51 0.98 0.00 0.00 173.24 172.74 1pma s ILE 215 N -3.81 0.14 0.01 -1.02 2.07 -0.93 0.55 121.20 118.21 1pma s ILE 215 Ca 0.04 -1.13 0.03 0.00 -1.41 0.00 0.00 60.65 58.18 1pma s ILE 215 Cb 0.01 -0.68 -0.01 0.00 0.13 0.00 0.00 42.46 41.90 1pma s ILE 215 CO -0.10 -0.62 -0.09 0.28 -1.91 0.00 0.00 174.94 172.49 1pma s THR 216 N -2.24 0.73 0.22 4.00 -1.32 -1.26 -1.80 115.64 113.97 1pma s THR 216 Ca -0.09 -0.55 -0.29 0.00 -1.21 0.00 0.00 61.69 59.56 1pma s THR 216 Cb -0.04 -0.64 -0.16 0.00 -1.51 0.00 0.00 72.50 70.15 1pma s THR 216 CO -0.04 0.09 0.73 0.55 -2.21 0.00 0.00 174.62 173.75 1pma n VAL 217 N 2.55 1.88 0.00 5.08 3.14 0.12 -1.70 118.33 129.41 1pma n VAL 217 Ca -0.15 -0.47 0.00 0.00 -2.96 0.00 0.00 64.34 60.76 1pma n VAL 217 Cb 0.56 -0.37 0.00 0.00 -1.06 0.00 0.00 33.84 32.97 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 1.72 3.32 3.11 7.55 0.00 -1.26 -5.01 105.19 114.62 1pma n GLY 218 Ca 0.15 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 -1.23 -4.83 1.61 6.94 -0.69 -5.17 115.26 111.89 1pma n ASN 219 Ca 0.00 -2.77 -0.29 0.00 -0.02 0.00 0.00 54.58 51.50 1pma n ASN 219 Cb 0.00 2.31 0.12 0.00 -2.36 0.00 0.00 39.78 39.85 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 -2.76 1.47 0.53 -3.83 1.02 -1.26 -4.45 119.74 110.45 1pma s LYS 220 Ca 0.27 0.23 -0.21 0.00 0.02 0.00 0.00 55.97 56.29 1pma s LYS 220 Cb -0.01 -1.88 -0.06 0.00 -0.52 0.00 0.00 37.83 35.36 1pma s LYS 220 CO 0.20 -1.96 1.19 0.71 -0.92 0.00 0.00 175.35 174.57 1pma s TYR 221 N -3.39 2.61 -0.12 3.18 2.02 -0.83 -4.47 117.35 116.34 1pma s TYR 221 Ca 0.63 1.51 0.00 0.00 -0.37 0.00 0.00 57.07 58.85 1pma s TYR 221 Cb -0.13 -3.43 0.02 0.00 -0.40 0.00 0.00 41.96 38.01 1pma s TYR 221 CO 0.52 -1.89 -0.12 0.50 -1.57 0.00 0.00 175.55 172.98 1pma s ARG 222 N -3.07 1.99 -0.20 -0.62 3.52 0.19 -4.98 118.95 115.78 1pma s ARG 222 Ca 0.71 -0.45 -0.17 0.00 -0.13 0.00 0.00 55.73 55.70 1pma s ARG 222 Cb -0.29 -1.84 -0.04 0.00 -1.56 0.00 0.00 34.95 31.22 1pma s ARG 222 CO 0.33 -0.19 0.44 0.42 -0.81 0.00 0.00 175.30 175.49 1pma s ILE 223 N 1.40 5.17 0.22 4.11 1.01 -1.26 -0.26 121.20 131.59 1pma s ILE 223 Ca 0.01 0.79 -0.30 0.00 0.00 0.00 0.00 60.65 61.15 1pma s ILE 223 Cb -0.13 -3.77 -0.09 0.00 0.01 0.00 0.00 42.46 38.48 1pma s ILE 223 CO -0.07 0.23 1.37 -0.31 0.00 0.00 0.00 174.94 176.15 1pma s TYR 224 N 1.42 3.15 0.46 3.97 1.51 -0.26 -4.99 117.35 122.61 1pma s TYR 224 Ca 0.21 1.14 -0.16 0.00 -1.01 0.00 0.00 57.07 57.25 1pma s TYR 224 Cb -0.15 -3.70 -0.08 0.00 -0.11 0.00 0.00 41.96 37.92 1pma s TYR 224 CO 0.09 -2.22 0.91 0.16 -1.11 0.00 0.00 175.55 173.38 1pma s ASP 225 N 0.32 6.67 0.17 2.29 -4.77 -1.26 -4.77 116.67 115.32 1pma s ASP 225 Ca 0.58 1.47 -0.11 0.00 -3.30 0.00 0.00 52.55 51.18 1pma s ASP 225 Cb -0.39 -2.46 0.20 0.00 -1.09 0.00 0.00 42.92 39.17 1pma s ASP 225 CO 0.41 -0.47 1.11 1.67 0.70 0.00 0.00 175.17 178.58 1pma n GLN 226 N -1.24 -0.15 -0.11 2.11 7.27 -1.26 -0.42 117.38 123.57 1pma n GLN 226 Ca 0.05 1.10 -0.11 0.00 0.07 0.00 0.00 57.00 58.11 1pma n GLN 226 Cb 0.54 -1.64 -0.03 0.00 2.41 0.00 0.00 30.24 31.52 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 0.62 -0.40 3.69 3.07 -1.98 -1.30 114.58 118.28 1pma h GLU 227 Ca 0.26 -0.23 0.03 0.00 -0.50 0.00 0.00 59.36 58.92 1pma h GLU 227 Cb 0.44 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.28 1pma h GLU 227 CO -0.71 0.79 0.19 1.49 -1.40 0.00 0.00 179.01 179.37 1pma h GLU 228 N 0.40 0.37 -0.44 2.33 4.81 -1.11 -0.17 114.58 120.78 1pma h GLU 228 Ca 0.08 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1pma h GLU 228 Cb 0.56 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1pma h GLU 228 CO 0.03 0.25 0.02 -0.24 -0.73 0.00 0.00 179.01 178.34 1pma h VAL 229 N 0.38 1.26 -0.04 0.32 3.04 -1.21 -2.14 116.25 117.86 1pma h VAL 229 Ca 0.17 -1.00 0.01 0.00 -1.01 0.00 0.00 66.70 64.88 1pma h VAL 229 Cb 0.10 1.05 -0.00 0.00 -2.01 0.00 0.00 31.29 30.42 1pma h VAL 229 CO -0.13 0.34 0.10 0.50 -1.01 0.00 0.00 177.57 177.37 1pma h LYS 230 N 0.60 0.00 -0.27 4.17 3.64 -0.44 0.23 116.57 124.51 1pma h LYS 230 Ca 0.13 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.40 1pma h LYS 230 Cb 0.46 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1pma h LYS 230 CO 0.02 0.00 -0.27 -0.22 -2.27 0.00 0.00 179.45 176.70 1pma h LYS 231 N 0.00 0.53 0.00 1.90 3.64 -0.35 -2.98 116.57 119.31 1pma h LYS 231 Ca 0.02 -0.21 -0.09 0.00 -1.27 0.00 0.00 60.65 59.10 1pma h LYS 231 Cb 0.22 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1pma h LYS 231 CO -0.00 0.75 -1.18 0.74 -2.27 0.00 0.00 179.45 177.49 1pma h PHE 232 N 0.46 0.00 0.00 1.91 -1.00 -1.03 -3.52 116.94 113.76 1pma h PHE 232 Ca 0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1pma h PHE 232 Cb 0.72 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.28 1pma h PHE 232 CO 0.03 0.32 0.00 -0.11 -1.61 0.00 0.00 178.31 176.93