#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 0.15 12.58 -7.23 -1.26 -4.83 120.40 119.80 1pma s VAL 14 Ca 0.00 -1.79 -0.28 0.00 -1.81 0.00 0.00 61.98 58.10 1pma s VAL 14 Cb 0.00 -2.43 -0.07 0.00 0.56 0.00 0.00 36.38 34.44 1pma s VAL 14 CO 0.00 0.00 0.87 -0.36 -0.31 0.00 0.00 175.10 175.30 1pma s PHE 15 N -3.94 3.87 0.66 2.82 0.08 -1.26 -4.30 117.98 115.91 1pma s PHE 15 Ca 0.34 1.73 -0.09 0.00 0.12 0.00 0.00 56.93 59.02 1pma s PHE 15 Cb 0.04 -2.92 0.01 0.00 -0.57 0.00 0.00 43.02 39.58 1pma s PHE 15 CO 0.13 0.36 1.03 -1.54 -0.10 0.00 0.00 175.22 175.10 1pma s SER 16 N -0.61 5.51 0.00 1.36 1.04 -0.35 -4.89 113.70 115.77 1pma s SER 16 Ca 0.41 0.99 0.01 0.00 0.48 0.00 0.00 55.95 57.83 1pma s SER 16 Cb -0.23 -1.86 0.03 0.00 0.10 0.00 0.00 66.02 64.06 1pma s SER 16 CO 0.28 -1.23 1.01 -2.65 0.98 0.00 0.00 173.24 171.63 1pma n PRO 17 N -2.85 0.00 -0.34 4.02 -0.02 -1.26 -0.65 135.00 133.90 1pma n PRO 17 Ca 0.06 0.47 0.08 0.00 -2.02 0.00 0.00 63.50 62.09 1pma n PRO 17 Cb 0.57 -1.50 0.24 0.00 -0.02 0.00 0.00 33.50 32.79 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 -1.49 3.62 -2.12 2.55 5.75 -1.26 -4.98 116.55 118.62 1pma n ASP 18 Ca 0.00 -2.25 -0.08 0.00 -0.01 0.00 0.00 54.79 52.45 1pma n ASP 18 Cb 0.01 -0.39 0.04 0.00 -1.03 0.00 0.00 41.12 39.75 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 0.66 0.08 3.05 6.12 0.00 0.18 -5.07 105.19 110.20 1pma n GLY 19 Ca 0.18 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.70 0.55 -0.70 1.61 0.52 -1.26 -4.88 118.95 110.10 1pma s ARG 20 Ca 0.02 -0.62 -0.17 0.00 -0.52 0.00 0.00 55.73 54.44 1pma s ARG 20 Cb -0.01 -0.40 0.14 0.00 0.52 0.00 0.00 34.95 35.20 1pma s ARG 20 CO 0.34 0.09 0.76 -0.51 0.02 0.00 0.00 175.30 175.99 1pma s LEU 21 N -1.17 5.81 0.22 2.53 2.01 -1.26 -1.21 118.68 125.61 1pma s LEU 21 Ca -0.06 -1.91 -0.07 0.00 0.01 0.00 0.00 54.13 52.10 1pma s LEU 21 Cb -0.08 -2.28 0.36 0.00 0.01 0.00 0.00 46.19 44.20 1pma s LEU 21 CO 0.00 -0.93 1.73 -0.26 1.01 0.00 0.00 176.35 177.90 1pma h PHE 22 N 8.72 0.41 -0.97 0.29 0.04 -1.98 -1.38 116.94 122.08 1pma h PHE 22 Ca -0.12 0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.77 1pma h PHE 22 Cb 1.07 -0.08 -0.07 0.00 2.20 0.00 0.00 35.95 39.07 1pma h PHE 22 CO 0.92 0.06 0.62 1.96 -0.60 0.00 0.00 178.31 181.28 1pma h GLN 23 N 0.40 1.02 -0.02 1.51 1.08 -1.91 0.31 115.11 117.49 1pma h GLN 23 Ca 0.35 -0.06 -0.11 0.00 -1.45 0.00 0.00 58.65 57.38 1pma h GLN 23 Cb 0.50 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1pma h GLN 23 CO -0.37 0.67 -0.51 -0.24 -0.95 0.00 0.00 178.83 177.44 1pma h VAL 24 N 1.05 1.37 0.15 -0.54 3.04 -1.70 -1.75 116.25 117.86 1pma h VAL 24 Ca 0.44 -1.76 -0.01 0.00 -1.01 0.00 0.00 66.70 64.36 1pma h VAL 24 Cb 0.31 1.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 1pma h VAL 24 CO -0.20 0.51 -0.07 -0.33 -1.01 0.00 0.00 177.57 176.47 1pma h GLU 25 N 0.05 -0.19 -0.55 4.17 4.39 0.40 -1.96 114.58 120.88 1pma h GLU 25 Ca -0.00 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.77 1pma h GLU 25 Cb 0.92 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.57 1pma h GLU 25 CO 0.07 0.04 0.27 1.88 -1.16 0.00 0.00 179.01 180.10 1pma h TYR 26 N -0.40 0.49 -0.68 4.33 0.05 -1.02 -0.24 116.97 119.50 1pma h TYR 26 Ca -0.02 0.02 0.12 0.00 0.05 0.00 0.00 58.73 58.91 1pma h TYR 26 Cb 0.32 -0.14 -0.09 0.00 1.01 0.00 0.00 36.73 37.83 1pma h TYR 26 CO -0.01 0.22 0.22 0.00 -1.05 0.00 0.00 178.16 177.54 1pma h ALA 27 N 1.31 0.88 -0.96 3.88 0.00 -1.14 0.26 119.26 123.50 1pma h ALA 27 Ca 0.25 0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.45 1pma h ALA 27 Cb 0.18 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.00 1pma h ALA 27 CO -0.19 -0.25 0.56 0.00 0.00 0.00 0.00 179.25 179.38 1pma h ARG 28 N 0.36 0.74 -0.08 0.00 3.08 -0.26 -0.37 114.38 117.85 1pma h ARG 28 Ca 0.36 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.41 1pma h ARG 28 Cb 0.54 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 1pma h ARG 28 CO -0.40 0.49 -0.25 0.93 -1.07 0.00 0.00 179.97 179.67 1pma h GLU 29 N 0.76 -0.33 -1.00 0.04 4.39 -0.10 -0.77 114.58 117.55 1pma h GLU 29 Ca 0.53 0.02 0.23 0.00 0.34 0.00 0.00 59.36 60.49 1pma h GLU 29 Cb 0.77 0.08 -0.12 0.00 -0.10 0.00 0.00 28.75 29.37 1pma h GLU 29 CO -0.36 -0.22 0.60 0.00 -1.16 0.00 0.00 179.01 177.86 1pma h ALA 30 N 0.54 1.75 0.00 3.43 0.00 -0.83 0.54 119.26 124.69 1pma h ALA 30 Ca 0.09 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1pma h ALA 30 Cb 0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1pma h ALA 30 CO -0.28 -0.21 -0.35 -0.39 0.00 0.00 0.00 179.25 178.02 1pma h VAL 31 N 0.63 1.07 -0.24 0.00 -1.51 -0.95 -2.75 116.25 112.50 1pma h VAL 31 Ca 0.62 -1.28 -0.06 0.00 -1.23 0.00 0.00 66.70 64.76 1pma h VAL 31 Cb 1.13 1.72 -0.01 0.00 -2.13 0.00 0.00 31.29 32.00 1pma h VAL 31 CO -0.45 0.34 -0.13 0.11 -1.23 0.00 0.00 177.57 176.22 1pma h LYS 32 N 0.00 0.40 -0.53 5.19 1.57 0.51 -2.16 116.57 121.55 1pma h LYS 32 Ca -0.00 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1pma h LYS 32 Cb 0.70 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1pma h LYS 32 CO 0.05 0.53 0.00 1.63 -0.57 0.00 0.00 179.45 181.08 1pma n LYS 33 N -4.23 1.55 -2.97 3.15 5.02 -1.04 -3.04 118.16 116.60 1pma n LYS 33 Ca 0.00 -0.57 -0.19 0.00 -2.02 0.00 0.00 58.31 55.53 1pma n LYS 33 Cb 0.30 -1.38 0.04 0.00 -0.02 0.00 0.00 35.03 33.97 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 -0.58 1.83 0.85 0.72 0.00 -0.81 -4.94 107.32 104.39 1pma s GLY 34 Ca 0.10 -1.86 -0.11 0.00 0.00 0.00 0.00 44.72 42.85 1pma s GLY 34 CO 0.05 -1.53 1.16 -0.45 0.00 0.00 0.00 173.10 172.33 1pma s SER 35 N -4.52 3.40 -0.03 1.64 0.15 -1.26 -1.75 113.70 111.34 1pma s SER 35 Ca 0.59 2.20 -0.09 0.00 0.70 0.00 0.00 55.95 59.34 1pma s SER 35 Cb -0.08 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.61 1pma s SER 35 CO 0.37 -2.79 0.28 0.28 1.20 0.00 0.00 173.24 172.58 1pma s THR 36 N -2.51 5.27 0.10 6.45 -1.32 -1.26 -3.66 115.64 118.72 1pma s THR 36 Ca 0.68 0.39 -0.23 0.00 -1.21 0.00 0.00 61.69 61.32 1pma s THR 36 Cb -0.24 -3.56 0.06 0.00 -1.51 0.00 0.00 72.50 67.25 1pma s THR 36 CO 0.55 0.49 0.57 0.00 -2.21 0.00 0.00 174.62 174.02 1pma s ALA 37 N -1.17 -1.47 0.28 11.08 0.00 -0.36 -1.61 121.76 128.52 1pma s ALA 37 Ca 0.23 0.56 -0.13 0.00 0.00 0.00 0.00 51.96 52.61 1pma s ALA 37 Cb -0.14 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.62 1pma s ALA 37 CO 0.12 -0.64 0.57 -0.48 0.00 0.00 0.00 175.76 175.32 1pma s LEU 38 N -2.37 0.26 0.05 0.00 2.34 0.38 0.18 118.68 119.51 1pma s LEU 38 Ca -0.02 -0.97 -0.24 0.00 0.06 0.00 0.00 54.13 52.96 1pma s LEU 38 Cb -0.00 2.06 0.06 0.00 -0.56 0.00 0.00 46.19 47.74 1pma s LEU 38 CO -0.07 -1.28 0.57 -0.83 -1.06 0.00 0.00 176.35 173.68 1pma s GLY 39 N -3.04 -0.49 -0.14 -3.48 0.00 -0.28 -0.95 107.32 98.94 1pma s GLY 39 Ca 0.20 0.74 -0.20 0.00 0.00 0.00 0.00 44.72 45.46 1pma s GLY 39 CO 0.10 0.42 0.53 -3.16 0.00 0.00 0.00 173.10 170.99 1pma s MET 40 N -2.39 0.72 0.48 2.90 0.23 -0.78 -1.65 119.30 118.80 1pma s MET 40 Ca -0.05 0.51 -0.21 0.00 -1.03 0.00 0.00 55.69 54.91 1pma s MET 40 Cb -0.01 0.34 -0.08 0.00 -1.53 0.00 0.00 34.83 33.55 1pma s MET 40 CO -0.01 -0.14 1.05 0.15 -2.03 0.00 0.00 175.02 174.04 1pma s LYS 41 N -0.25 3.81 0.00 3.16 1.02 -0.72 -2.33 119.74 124.44 1pma s LYS 41 Ca -0.04 1.39 0.00 0.00 0.02 0.00 0.00 55.97 57.34 1pma s LYS 41 Cb -0.03 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 1pma s LYS 41 CO 0.03 -0.43 0.00 1.97 -0.92 0.00 0.00 175.35 176.00 1pma n PHE 42 N -0.90 0.00 0.00 3.18 1.16 -0.23 -4.86 117.46 115.81 1pma n PHE 42 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.67 1pma n PHE 42 Cb 0.52 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.39 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 -2.46 1.98 0.00 -0.49 -3.76 120.51 112.77 1pma n ALA 43 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1pma n ALA 43 Cb 0.00 0.14 0.05 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.13 1.84 0.00 0.00 4.05 -1.26 -5.00 115.26 113.75 1pma n ASN 44 Ca 0.00 -2.47 0.00 0.00 0.45 0.00 0.00 54.58 52.56 1pma n ASN 44 Cb 0.00 -0.40 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 -0.29 1.89 3.29 8.20 0.00 -1.25 -0.28 105.19 116.76 1pma n GLY 45 Ca 0.13 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.45 0.04 0.13 1.61 0.11 -0.65 -1.06 120.40 119.14 1pma s VAL 46 Ca 0.00 -0.36 0.06 0.00 -2.93 0.00 0.00 61.98 58.75 1pma s VAL 46 Cb 0.00 -0.68 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 1pma s VAL 46 CO 0.00 -0.20 -0.13 -1.48 -3.33 0.00 0.00 175.10 169.96 1pma s LEU 47 N -1.18 2.44 0.11 2.54 2.34 -0.98 -1.55 118.68 122.38 1pma s LEU 47 Ca -0.12 -0.86 0.08 0.00 0.06 0.00 0.00 54.13 53.29 1pma s LEU 47 Cb -0.04 -0.53 -0.04 0.00 -0.56 0.00 0.00 46.19 45.02 1pma s LEU 47 CO 0.05 -0.18 -0.21 -0.22 -1.06 0.00 0.00 176.35 174.74 1pma s LEU 48 N -2.65 2.31 -0.21 1.48 2.96 0.13 -1.87 118.68 120.83 1pma s LEU 48 Ca 0.11 -0.70 -0.12 0.00 -0.22 0.00 0.00 54.13 53.21 1pma s LEU 48 Cb -0.03 -0.88 0.07 0.00 0.50 0.00 0.00 46.19 45.84 1pma s LEU 48 CO 0.03 0.05 0.52 -0.51 -1.32 0.00 0.00 176.35 175.12 1pma s ILE 49 N -1.21 -0.01 0.06 6.68 1.10 -0.13 -0.91 121.20 126.78 1pma s ILE 49 Ca 0.07 0.05 0.06 0.00 -0.51 0.00 0.00 60.65 60.32 1pma s ILE 49 Cb -0.10 -0.76 -0.03 0.00 0.15 0.00 0.00 42.46 41.73 1pma s ILE 49 CO 0.04 0.02 -0.15 -0.55 -2.11 0.00 0.00 174.94 172.19 1pma s SER 50 N 1.39 1.83 -0.62 4.50 0.15 0.13 -0.47 113.70 120.61 1pma s SER 50 Ca -0.09 -0.55 -0.26 0.00 0.70 0.00 0.00 55.95 55.75 1pma s SER 50 Cb -0.07 -0.09 0.04 0.00 -1.71 0.00 0.00 66.02 64.19 1pma s SER 50 CO -0.14 0.00 1.10 -0.62 1.20 0.00 0.00 173.24 174.78 1pma s ASP 51 N -1.47 6.30 -0.97 5.45 2.15 -0.63 0.27 116.67 127.77 1pma s ASP 51 Ca 0.01 -0.33 -0.21 0.00 0.43 0.00 0.00 52.55 52.44 1pma s ASP 51 Cb -0.09 -2.50 0.08 0.00 -0.30 0.00 0.00 42.92 40.12 1pma s ASP 51 CO 0.02 -1.48 1.30 -0.75 -0.17 0.00 0.00 175.17 174.09 1pma s LYS 52 N 4.69 3.58 -0.33 4.34 2.20 -1.09 -4.69 119.74 128.45 1pma s LYS 52 Ca 0.34 -1.37 -0.19 0.00 -0.36 0.00 0.00 55.97 54.39 1pma s LYS 52 Cb -0.11 -5.14 -0.01 0.00 -1.51 0.00 0.00 37.83 31.07 1pma s LYS 52 CO 0.19 -2.02 0.55 0.15 -0.36 0.00 0.00 175.35 173.85 1pma s LYS 53 N 4.01 3.73 0.17 4.03 1.02 -1.26 -3.89 119.74 127.55 1pma s LYS 53 Ca 0.40 0.00 0.07 0.00 0.02 0.00 0.00 55.97 56.46 1pma s LYS 53 Cb -0.02 -3.77 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 1pma s LYS 53 CO -0.09 -0.61 -0.01 0.54 -0.92 0.00 0.00 175.35 174.27 1pma s VAL 54 N 2.46 3.71 0.00 3.17 0.11 -1.26 -5.11 120.40 123.48 1pma s VAL 54 Ca 0.21 -1.40 0.00 0.00 -2.93 0.00 0.00 61.98 57.86 1pma s VAL 54 Cb -0.15 -2.86 0.00 0.00 -1.53 0.00 0.00 36.38 31.84 1pma s VAL 54 CO 0.13 -0.09 0.00 -1.14 -3.33 0.00 0.00 175.10 170.67 1pma n ARG 55 N -0.06 0.00 -1.05 1.54 3.00 -1.26 -5.09 116.66 113.75 1pma n ARG 55 Ca -0.10 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.42 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 n SER 56 N 0.00 0.35 0.22 6.15 2.88 -1.26 -4.90 113.62 117.06 1pma n SER 56 Ca 0.00 0.54 0.12 0.00 -1.33 0.00 0.00 58.87 58.20 1pma n SER 56 Cb 0.00 -1.44 0.34 0.00 -0.75 0.00 0.00 64.21 62.36 1pma n SER 56 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1pma h ARG 57 N -1.00 0.00 0.00 -1.46 3.08 -2.08 -3.17 114.38 109.75 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 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1pma h ARG 57 CO 0.44 0.11 0.00 1.28 -1.07 0.00 0.00 179.97 180.73 1pma n LEU 58 N -3.17 0.00 -4.81 3.04 4.32 -1.26 -4.81 117.00 110.31 1pma n LEU 58 Ca 0.02 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.64 1pma n LEU 58 Cb 0.48 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.22 1pma n LEU 58 CO 0.33 0.00 0.37 -0.63 -1.22 0.00 0.00 177.39 176.24 1pma s ILE 59 N -2.00 4.61 0.00 -0.08 -1.09 -1.20 -4.95 121.20 116.49 1pma s ILE 59 Ca 0.33 1.28 -0.05 0.00 -2.23 0.00 0.00 60.65 59.97 1pma s ILE 59 Cb 0.15 -3.90 -0.24 0.00 -1.58 0.00 0.00 42.46 36.89 1pma s ILE 59 CO 0.26 0.34 3.31 -0.62 -1.23 0.00 0.00 174.94 177.00 1pma n GLU 60 N 1.08 1.80 0.00 2.79 -0.58 -1.26 -4.94 120.64 119.53 1pma n GLU 60 Ca -0.05 -0.90 0.00 0.00 -0.42 0.00 0.00 57.16 55.79 1pma n GLU 60 Cb 0.51 -1.95 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 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 2.55 0.00 -0.29 3.49 -0.00 -1.26 -1.35 117.38 120.52 1pma n GLN 61 Ca 0.39 0.00 0.27 0.00 -0.00 0.00 0.00 57.00 57.66 1pma n GLN 61 Cb 0.83 0.00 0.49 0.00 -0.00 0.00 0.00 30.24 31.56 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 1.32 0.24 0.20 2.61 2.85 -1.26 -1.45 115.26 119.77 1pma n ASN 62 Ca 0.00 1.25 0.13 0.00 -0.11 0.00 0.00 54.58 55.85 1pma n ASN 62 Cb 0.00 -0.61 0.47 0.00 1.24 0.00 0.00 39.78 40.88 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 -1.94 1.20 0.02 -1.63 -2.07 113.55 109.13 1pma h SER 63 Ca 0.68 0.00 -0.78 0.00 -0.84 0.00 0.00 61.79 60.85 1pma h SER 63 Cb 1.93 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 64.25 1pma h SER 63 CO -0.54 0.00 1.51 0.00 -1.14 0.00 0.00 176.83 176.67 1pma n ILE 64 N -2.95 5.57 -2.44 3.27 3.06 -0.53 -4.98 119.36 120.36 1pma n ILE 64 Ca 0.04 -5.33 -0.42 0.00 -2.50 0.00 0.00 62.75 54.54 1pma n ILE 64 Cb 0.82 -1.87 -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 -2.68 4.37 -0.14 9.51 0.41 -0.78 -4.91 118.70 124.47 1pma s GLU 65 Ca 0.42 1.71 0.10 0.00 -0.41 0.00 0.00 54.97 56.80 1pma s GLU 65 Cb 0.16 -3.51 -0.23 0.00 -1.78 0.00 0.00 34.13 28.76 1pma s GLU 65 CO -0.07 -0.41 0.28 1.63 -0.49 0.00 0.00 175.26 176.20 1pma n LYS 66 N 4.92 0.67 -3.05 1.61 5.02 -1.26 -4.80 118.16 121.27 1pma n LYS 66 Ca 0.11 0.16 -0.41 0.00 -2.02 0.00 0.00 58.31 56.14 1pma n LYS 66 Cb 0.46 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.77 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 -2.54 4.90 0.16 -0.18 1.01 -1.26 -4.11 121.20 119.18 1pma s ILE 67 Ca -0.14 1.07 0.11 0.00 0.00 0.00 0.00 60.65 61.69 1pma s ILE 67 Cb 0.07 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1pma s ILE 67 CO 0.79 -0.12 -0.24 -1.10 0.00 0.00 0.00 174.94 174.27 1pma s GLN 68 N 2.69 1.52 -0.03 2.79 -0.21 -0.23 -4.98 119.66 121.21 1pma s GLN 68 Ca 0.28 -1.40 -0.14 0.00 0.02 0.00 0.00 55.36 54.12 1pma s GLN 68 Cb -0.15 -1.91 -0.05 0.00 1.00 0.00 0.00 33.01 31.90 1pma s GLN 68 CO 0.11 0.43 0.38 -0.51 -2.12 0.00 0.00 175.29 173.58 1pma s LEU 69 N -2.36 4.43 -0.19 2.90 1.43 -1.26 -1.09 118.68 122.54 1pma s LEU 69 Ca 0.18 0.87 0.15 0.00 -1.03 0.00 0.00 54.13 54.29 1pma s LEU 69 Cb -0.09 -2.54 -0.24 0.00 0.03 0.00 0.00 46.19 43.36 1pma s LEU 69 CO 0.08 0.28 0.09 -0.38 0.23 0.00 0.00 176.35 176.65 1pma n ILE 70 N 2.16 1.43 -3.59 -0.59 5.41 -0.41 -4.95 119.36 118.82 1pma n ILE 70 Ca -0.14 -0.81 -0.07 0.00 1.00 0.00 0.00 62.75 62.73 1pma n ILE 70 Cb 0.52 -0.68 -0.04 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 -5.73 -0.25 0.40 4.38 2.15 -1.13 -4.78 116.67 111.71 1pma s ASP 71 Ca -0.13 0.22 0.03 0.00 0.43 0.00 0.00 52.55 53.10 1pma s ASP 71 Cb 0.07 0.22 0.14 0.00 -0.30 0.00 0.00 42.92 43.05 1pma s ASP 71 CO 0.79 -0.27 0.90 0.44 -0.17 0.00 0.00 175.17 176.86 1pma h ASP 72 N 2.31 0.00 -0.02 -0.34 3.32 -2.00 0.04 116.42 119.73 1pma h ASP 72 Ca -0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.90 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 0.28 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.58 1pma n TYR 73 N -1.95 0.03 -3.67 4.55 4.02 -1.26 -1.91 117.16 116.97 1pma n TYR 73 Ca -0.00 -0.12 -0.10 0.00 -0.01 0.00 0.00 57.90 57.67 1pma n TYR 73 Cb 0.72 -0.01 -0.10 0.00 -0.02 0.00 0.00 39.34 39.93 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 -0.40 -0.45 0.43 -0.72 0.11 0.00 -2.37 120.40 117.00 1pma s VAL 74 Ca 0.03 0.17 0.06 0.00 -2.93 0.00 0.00 61.98 59.31 1pma s VAL 74 Cb 0.02 -0.61 -0.06 0.00 -1.53 0.00 0.00 36.38 34.20 1pma s VAL 74 CO 0.03 0.07 0.04 0.00 -3.33 0.00 0.00 175.10 171.91 1pma s ALA 75 N 2.26 3.41 -0.03 1.54 0.00 0.23 -1.29 121.76 127.88 1pma s ALA 75 Ca -0.03 -1.94 -0.17 0.00 0.00 0.00 0.00 51.96 49.82 1pma s ALA 75 Cb -0.11 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.09 1pma s ALA 75 CO -0.12 -0.12 0.36 0.00 0.00 0.00 0.00 175.76 175.88 1pma s ALA 76 N -2.72 -0.92 0.02 0.00 0.00 -0.25 -1.13 121.76 116.76 1pma s ALA 76 Ca 0.31 0.51 0.06 0.00 0.00 0.00 0.00 51.96 52.85 1pma s ALA 76 Cb 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 1pma s ALA 76 CO 0.16 -0.27 -0.19 0.54 0.00 0.00 0.00 175.76 176.01 1pma s VAL 77 N -1.17 1.52 0.22 0.00 0.11 -0.67 -1.07 120.40 119.34 1pma s VAL 77 Ca -0.12 -1.03 0.06 0.00 -2.93 0.00 0.00 61.98 57.95 1pma s VAL 77 Cb -0.04 -1.31 -0.05 0.00 -1.53 0.00 0.00 36.38 33.45 1pma s VAL 77 CO 0.05 0.24 -0.07 0.28 -3.33 0.00 0.00 175.10 172.27 1pma s THR 78 N -0.68 1.40 -0.15 5.04 -1.32 -1.26 -0.94 115.64 117.72 1pma s THR 78 Ca 0.06 -2.11 -0.12 0.00 -1.21 0.00 0.00 61.69 58.31 1pma s THR 78 Cb -0.08 -2.21 0.04 0.00 -1.51 0.00 0.00 72.50 68.74 1pma s THR 78 CO 0.01 -0.46 0.39 -0.55 -2.21 0.00 0.00 174.62 171.80 1pma s SER 79 N -3.32 -0.43 0.00 8.08 0.15 0.15 -4.89 113.70 113.43 1pma s SER 79 Ca 0.25 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.71 1pma s SER 79 Cb 0.03 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 1pma s SER 79 CO 0.08 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1pma n GLY 80 N 3.24 0.75 3.68 9.45 0.00 -1.26 0.31 105.19 121.34 1pma n GLY 80 Ca -0.16 -2.01 -0.49 0.00 0.00 0.00 0.00 46.02 43.37 1pma n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pma n LEU 81 N 0.00 3.24 -0.02 0.99 7.99 0.79 -4.86 117.00 125.14 1pma n LEU 81 Ca 0.00 1.01 -0.10 0.00 -0.01 0.00 0.00 56.01 56.91 1pma n LEU 81 Cb 0.00 -1.36 -0.04 0.00 -0.11 0.00 0.00 43.42 41.91 1pma n LEU 81 CO 0.00 -0.16 0.86 1.62 -1.51 0.00 0.00 177.39 178.20 1pma h VAL 82 N 4.94 0.90 0.21 4.08 3.04 -1.95 -1.45 116.25 126.02 1pma h VAL 82 Ca -0.47 -0.02 0.01 0.00 -1.01 0.00 0.00 66.70 65.21 1pma h VAL 82 Cb 1.27 0.85 -0.03 0.00 -2.01 0.00 0.00 31.29 31.37 1pma h VAL 82 CO 0.93 0.01 -0.33 0.00 -1.01 0.00 0.00 177.57 177.17 1pma h ALA 83 N 1.12 -0.62 -0.56 3.17 0.00 -1.99 -0.52 119.26 119.85 1pma h ALA 83 Ca 0.06 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1pma h ALA 83 Cb 0.08 0.51 -0.10 0.00 0.00 0.00 0.00 17.79 18.28 1pma h ALA 83 CO -0.11 -0.90 -0.04 -0.44 0.00 0.00 0.00 179.25 177.76 1pma h ASP 84 N -0.61 -0.33 0.23 0.00 5.19 -1.93 -1.07 116.42 117.90 1pma h ASP 84 Ca 0.01 0.15 0.01 0.00 -0.62 0.00 0.00 57.03 56.57 1pma h ASP 84 Cb 0.60 0.28 -0.04 0.00 0.18 0.00 0.00 39.33 40.34 1pma h ASP 84 CO -0.13 -0.12 -0.50 0.00 -3.12 0.00 0.00 179.24 175.36 1pma h ALA 85 N 1.52 -0.98 -0.28 3.45 0.00 -0.87 -0.48 119.26 121.62 1pma h ALA 85 Ca 0.28 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1pma h ALA 85 Cb 0.44 0.81 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 1pma h ALA 85 CO -0.51 -1.11 -0.49 -0.09 0.00 0.00 0.00 179.25 177.06 1pma h ARG 86 N -0.80 -0.38 -0.83 0.00 2.43 0.13 0.22 114.38 115.15 1pma h ARG 86 Ca -0.01 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.31 1pma h ARG 86 Cb 0.78 0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 30.33 1pma h ARG 86 CO -0.22 -0.26 0.43 -0.24 -1.51 0.00 0.00 179.97 178.18 1pma h VAL 87 N -0.40 0.77 -0.84 0.20 3.04 -1.25 -0.44 116.25 117.33 1pma h VAL 87 Ca 0.05 -0.22 -0.03 0.00 -1.01 0.00 0.00 66.70 65.50 1pma h VAL 87 Cb 0.54 0.07 -0.04 0.00 -2.01 0.00 0.00 31.29 29.85 1pma h VAL 87 CO -0.48 0.12 0.43 0.25 -1.01 0.00 0.00 177.57 176.87 1pma h LEU 88 N 0.64 1.08 0.04 3.16 5.85 0.91 -1.02 115.31 125.96 1pma h LEU 88 Ca 0.44 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 1pma h LEU 88 Cb 0.58 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1pma h LEU 88 CO -0.34 0.89 -0.02 0.58 -0.34 0.00 0.00 178.44 179.22 1pma h VAL 89 N 1.18 1.06 -0.63 1.05 2.07 0.71 -1.73 116.25 119.95 1pma h VAL 89 Ca 0.29 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.57 1pma h VAL 89 Cb 0.08 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1pma h VAL 89 CO -0.04 0.08 0.42 0.44 0.02 0.00 0.00 177.57 178.49 1pma h ASP 90 N -0.18 0.57 0.15 0.57 3.32 -0.69 -0.83 116.42 119.33 1pma h ASP 90 Ca -0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.05 1pma h ASP 90 Cb 0.16 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1pma h ASP 90 CO 0.01 0.37 -0.17 0.15 -1.72 0.00 0.00 179.24 177.88 1pma h PHE 91 N 0.65 -0.44 -0.95 4.55 3.57 -0.59 -1.53 116.94 122.21 1pma h PHE 91 Ca 0.27 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.93 1pma h PHE 91 Cb 0.24 0.17 -0.10 0.00 2.79 0.00 0.00 35.95 39.06 1pma h PHE 91 CO -0.00 -0.25 0.55 0.00 -2.23 0.00 0.00 178.31 176.38 1pma h ALA 92 N 0.45 1.48 0.61 2.41 0.00 -0.33 0.43 119.26 124.31 1pma h ALA 92 Ca 0.01 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1pma h ALA 92 Cb 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1pma h ALA 92 CO -0.06 0.01 -0.32 0.00 0.00 0.00 0.00 179.25 178.88 1pma h ARG 93 N 0.77 -0.83 -0.70 0.00 3.08 -0.32 0.35 114.38 116.73 1pma h ARG 93 Ca 0.51 0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.56 1pma h ARG 93 Cb 0.70 0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.91 1pma h ARG 93 CO -0.34 -0.55 0.18 -0.84 -1.07 0.00 0.00 179.97 177.34 1pma h ILE 94 N -0.86 1.26 -0.38 2.04 3.07 -1.06 -0.75 117.51 120.83 1pma h ILE 94 Ca -0.08 -0.95 0.03 0.00 1.55 0.00 0.00 64.86 65.41 1pma h ILE 94 Cb 0.68 0.52 -0.02 0.00 -0.27 0.00 0.00 36.82 37.73 1pma h ILE 94 CO 0.12 0.37 0.25 -1.28 -1.05 0.00 0.00 178.15 176.56 1pma h SER 95 N 1.06 0.35 -0.10 2.16 0.87 -0.65 -0.17 113.55 117.08 1pma h SER 95 Ca 0.22 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1pma h SER 95 Cb 0.35 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1pma h SER 95 CO -0.00 0.24 -0.02 0.00 -0.53 0.00 0.00 176.83 176.52 1pma h ALA 96 N 1.78 0.13 -0.98 6.23 0.00 0.11 -3.08 119.26 123.46 1pma h ALA 96 Ca 0.15 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1pma h ALA 96 Cb 0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1pma h ALA 96 CO -0.04 -0.14 0.65 1.96 0.00 0.00 0.00 179.25 181.68 1pma h GLN 97 N -0.13 1.26 0.15 0.00 1.08 -0.28 -2.79 115.11 114.39 1pma h GLN 97 Ca 0.03 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1pma h GLN 97 Cb 0.42 -0.28 -0.04 0.00 -0.05 0.00 0.00 27.48 27.52 1pma h GLN 97 CO 0.01 0.84 -0.50 1.96 -0.95 0.00 0.00 178.83 180.19 1pma h GLN 98 N 1.30 -0.71 -0.96 1.46 4.20 -0.99 0.12 115.11 119.52 1pma h GLN 98 Ca 0.37 0.05 0.15 0.00 0.06 0.00 0.00 58.65 59.27 1pma h GLN 98 Cb -0.11 0.16 -0.09 0.00 0.30 0.00 0.00 27.48 27.73 1pma h GLN 98 CO -0.09 -0.47 0.58 1.49 -0.67 0.00 0.00 178.83 179.67 1pma h GLU 99 N -0.73 0.81 -0.22 1.46 4.81 -1.45 -0.87 114.58 118.38 1pma h GLU 99 Ca -0.01 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1pma h GLU 99 Cb 0.73 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1pma h GLU 99 CO -0.25 0.53 0.11 0.87 -0.73 0.00 0.00 179.01 179.54 1pma h LYS 100 N 0.83 0.31 0.00 1.92 1.57 -1.10 0.29 116.57 120.40 1pma h LYS 100 Ca 0.52 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 59.19 1pma h LYS 100 Cb 0.66 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1pma h LYS 100 CO -0.33 0.32 -0.30 -0.24 -0.57 0.00 0.00 179.45 178.34 1pma h VAL 101 N 0.23 1.11 0.00 0.50 3.04 0.51 0.61 116.25 122.25 1pma h VAL 101 Ca 0.08 -1.06 -0.17 0.00 -1.01 0.00 0.00 66.70 64.54 1pma h VAL 101 Cb 0.11 1.59 -0.02 0.00 -2.01 0.00 0.00 31.29 30.95 1pma h VAL 101 CO -0.01 0.29 -0.91 0.00 -1.01 0.00 0.00 177.57 175.93 1pma h THR 102 N 0.00 1.17 0.00 3.17 1.03 -1.00 -3.38 112.91 113.90 1pma h THR 102 Ca -0.00 -2.23 0.00 0.00 -0.01 0.00 0.00 66.41 64.16 1pma h THR 102 Cb 0.56 2.57 0.00 0.00 -1.07 0.00 0.00 68.15 70.21 1pma h THR 102 CO 0.04 0.41 -0.64 -1.22 -0.01 0.00 0.00 175.52 174.09 1pma n TYR 103 N -4.46 0.09 -0.93 0.00 4.01 0.07 -4.94 117.16 111.00 1pma n TYR 103 Ca -0.26 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 1pma n TYR 103 Cb 0.63 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 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 1.47 0.95 3.64 2.72 0.00 0.21 -4.97 105.19 109.21 1pma n GLY 104 Ca 0.05 0.00 -0.06 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 -2.97 -0.27 -0.92 1.61 0.15 -1.19 -4.93 113.70 105.18 1pma s SER 105 Ca 0.00 0.51 -0.20 0.00 0.70 0.00 0.00 55.95 56.96 1pma s SER 105 Cb 0.00 0.51 0.11 0.00 -1.71 0.00 0.00 66.02 64.93 1pma s SER 105 CO 0.00 -0.10 1.17 -0.22 1.20 0.00 0.00 173.24 175.28 1pma s LEU 106 N 0.03 4.73 0.00 3.45 2.96 -1.26 -4.57 118.68 124.03 1pma s LEU 106 Ca 0.05 -1.85 -0.21 0.00 -0.22 0.00 0.00 54.13 51.90 1pma s LEU 106 Cb -0.05 -2.43 -0.20 0.00 0.50 0.00 0.00 46.19 44.02 1pma s LEU 106 CO -0.10 -1.17 1.17 1.62 -1.32 0.00 0.00 176.35 176.55 1pma h VAL 107 N 6.01 1.43 -3.45 1.68 3.04 -1.98 -3.43 116.25 119.55 1pma h VAL 107 Ca 0.12 -1.74 -0.59 0.00 -1.01 0.00 0.00 66.70 63.48 1pma h VAL 107 Cb 1.03 2.36 -0.38 0.00 -2.01 0.00 0.00 31.29 32.29 1pma h VAL 107 CO 1.17 0.50 -0.80 0.21 -1.01 0.00 0.00 177.57 177.64 1pma s ASN 108 N -6.38 3.35 0.44 3.17 3.84 -1.26 -1.86 114.94 116.24 1pma s ASN 108 Ca -0.14 -0.91 0.16 0.00 0.21 0.00 0.00 52.86 52.18 1pma s ASN 108 Cb 0.03 -1.10 1.01 0.00 -0.55 0.00 0.00 41.25 40.64 1pma s ASN 108 CO 0.77 -0.19 1.97 -0.29 -2.79 0.00 0.00 177.10 176.58 1pma h ILE 109 N 6.48 1.09 -0.26 -5.21 2.10 -1.96 -2.31 117.51 117.44 1pma h ILE 109 Ca -0.23 -0.72 0.08 0.00 1.08 0.00 0.00 64.86 65.06 1pma h ILE 109 Cb 1.09 1.39 -0.01 0.00 -1.09 0.00 0.00 36.82 38.21 1pma h ILE 109 CO 0.43 0.20 0.20 -0.08 -1.08 0.00 0.00 178.15 177.82 1pma h GLU 110 N 0.00 0.00 -0.18 2.19 4.81 -2.00 0.11 114.58 119.52 1pma h GLU 110 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1pma h GLU 110 Cb 0.38 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 1pma h GLU 110 CO 0.03 0.00 -0.28 -0.97 -0.73 0.00 0.00 179.01 177.06 1pma h ASN 111 N 0.00 0.55 -0.35 1.04 -0.73 -1.85 -1.88 115.58 112.37 1pma h ASN 111 Ca 0.12 -0.53 0.07 0.00 1.87 0.00 0.00 56.30 57.84 1pma h ASN 111 Cb 0.52 -0.16 -0.07 0.00 0.27 0.00 0.00 38.32 38.88 1pma h ASN 111 CO -0.00 0.97 -0.15 0.25 -0.37 0.00 0.00 177.43 178.14 1pma h LEU 112 N 0.15 -0.50 -0.55 0.34 5.85 -1.09 0.49 115.31 120.00 1pma h LEU 112 Ca 0.02 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1pma h LEU 112 Cb 0.86 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 1pma h LEU 112 CO 0.06 -0.18 0.30 1.62 -0.34 0.00 0.00 178.44 179.91 1pma h VAL 113 N -0.08 1.18 -0.85 1.05 3.04 -1.43 -2.45 116.25 116.71 1pma h VAL 113 Ca 0.17 -0.46 0.09 0.00 -1.01 0.00 0.00 66.70 65.50 1pma h VAL 113 Cb 0.35 0.48 -0.07 0.00 -2.01 0.00 0.00 31.29 30.04 1pma h VAL 113 CO -0.40 0.20 0.50 0.11 -1.01 0.00 0.00 177.57 176.96 1pma h LYS 114 N 0.74 0.81 -0.48 4.17 1.57 -0.11 0.11 116.57 123.38 1pma h LYS 114 Ca 0.19 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1pma h LYS 114 Cb 0.04 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1pma h LYS 114 CO -0.03 0.54 0.26 -0.09 -0.57 0.00 0.00 179.45 179.55 1pma h ARG 115 N 0.83 0.67 -0.15 3.15 2.43 -0.65 0.11 114.38 120.78 1pma h ARG 115 Ca 0.41 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.43 1pma h ARG 115 Cb 0.36 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1pma h ARG 115 CO -0.24 0.53 -0.24 -0.24 -1.51 0.00 0.00 179.97 178.26 1pma h VAL 116 N 0.63 1.24 -0.30 0.20 3.04 -0.98 -2.43 116.25 117.64 1pma h VAL 116 Ca 0.17 -1.10 -0.15 0.00 -1.01 0.00 0.00 66.70 64.60 1pma h VAL 116 Cb 0.06 1.40 -0.01 0.00 -2.01 0.00 0.00 31.29 30.73 1pma h VAL 116 CO -0.03 0.34 -0.42 0.00 -1.01 0.00 0.00 177.57 176.45 1pma h ALA 117 N 1.52 0.70 -0.22 3.17 0.00 -0.01 -2.60 119.26 121.82 1pma h ALA 117 Ca 0.04 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 1pma h ALA 117 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1pma h ALA 117 CO 0.04 0.67 -0.22 -0.44 0.00 0.00 0.00 179.25 179.29 1pma h ASP 118 N 0.60 0.40 -0.20 0.00 5.19 -0.48 -0.48 116.42 121.45 1pma h ASP 118 Ca 0.04 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1pma h ASP 118 Cb 0.97 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.36 1pma h ASP 118 CO 0.09 0.63 0.12 -0.61 -3.12 0.00 0.00 179.24 176.36 1pma h GLN 119 N 0.37 0.25 -0.56 3.56 -0.00 -1.16 -0.58 115.11 116.98 1pma h GLN 119 Ca 0.06 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.66 1pma h GLN 119 Cb 0.60 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.00 1pma h GLN 119 CO 0.04 0.16 0.20 0.52 0.00 0.00 0.00 178.83 179.76 1pma h MET 120 N 0.25 0.85 -0.76 1.69 2.86 -1.11 -2.90 114.93 115.81 1pma h MET 120 Ca 0.08 -0.17 0.07 0.00 -2.06 0.00 0.00 59.70 57.62 1pma h MET 120 Cb -0.02 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 31.45 1pma h MET 120 CO -0.03 0.75 0.44 0.37 1.06 0.00 0.00 176.91 179.50 1pma h GLN 121 N 0.77 0.77 -0.82 1.72 -0.00 -0.63 -2.29 115.11 114.63 1pma h GLN 121 Ca 0.18 -0.05 0.13 0.00 -0.00 0.00 0.00 58.65 58.92 1pma h GLN 121 Cb 0.24 -0.17 -0.09 0.00 0.00 0.00 0.00 27.48 27.45 1pma h GLN 121 CO -0.01 0.51 0.42 1.96 0.00 0.00 0.00 178.83 181.70 1pma h GLN 122 N 0.79 0.60 0.00 1.69 4.20 -0.90 0.50 115.11 121.99 1pma h GLN 122 Ca 0.34 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.02 1pma h GLN 122 Cb 0.22 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1pma h GLN 122 CO -0.20 0.40 0.00 0.66 -0.67 0.00 0.00 178.83 179.02 1pma n TYR 123 N -4.87 0.00 0.14 2.96 4.02 -0.87 -1.54 117.16 117.00 1pma n TYR 123 Ca 0.16 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.11 1pma n TYR 123 Cb 0.40 -0.15 0.05 0.00 -0.02 0.00 0.00 39.34 39.62 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 0.37 0.00 -0.72 2.02 0.06 -3.38 112.91 111.27 1pma h THR 124 Ca 0.00 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.61 1pma h THR 124 Cb 0.08 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1pma h THR 124 CO 0.00 0.21 -0.60 0.00 0.37 0.00 0.00 175.52 175.50 1pma n GLN 125 N -3.03 2.39 -0.66 6.66 10.64 -0.84 -4.87 117.38 127.67 1pma n GLN 125 Ca 0.00 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.09 1pma n GLN 125 Cb 0.65 -0.80 -0.11 0.00 -0.86 0.00 0.00 30.24 29.12 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 -0.96 0.00 0.00 2.61 4.01 -0.59 -4.92 117.16 117.31 1pma n TYR 126 Ca 0.00 -1.00 0.00 0.00 -0.16 0.00 0.00 57.90 56.74 1pma n TYR 126 Cb 0.04 -1.19 0.00 0.00 -0.31 0.00 0.00 39.34 37.88 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 2.65 2.95 3.06 2.72 0.00 -1.26 -4.49 105.19 110.81 1pma n GLY 127 Ca 0.28 0.07 -0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 0.53 3.64 -0.02 0.00 -1.26 -4.53 105.19 103.54 1pma n GLY 128 Ca 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 46.02 45.66 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 4.29 0.00 0.02 1.61 0.11 -1.26 -5.16 120.40 120.00 1pma s VAL 129 Ca 0.21 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.99 1pma s VAL 129 Cb 0.05 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 1pma s VAL 129 CO 0.11 0.00 0.84 -0.60 -3.33 0.00 0.00 175.10 172.12 1pma s ARG 130 N 0.00 4.53 0.71 1.54 3.52 -1.26 -4.90 118.95 123.09 1pma s ARG 130 Ca 0.04 1.19 -0.15 0.00 -0.13 0.00 0.00 55.73 56.68 1pma s ARG 130 Cb -0.04 -3.41 0.03 0.00 -1.56 0.00 0.00 34.95 29.96 1pma s ARG 130 CO -0.09 0.13 1.20 -2.14 -0.81 0.00 0.00 175.30 173.58 1pma s PRO 131 N 0.45 2.32 0.05 5.12 0.02 -1.26 -4.95 135.00 136.75 1pma s PRO 131 Ca 0.43 1.72 -0.31 0.00 0.02 0.00 0.00 61.00 62.87 1pma s PRO 131 Cb -0.20 -1.86 -0.06 0.00 0.02 0.00 0.00 34.50 32.39 1pma s PRO 131 CO 0.24 -1.69 1.38 0.71 -0.33 0.00 0.00 177.00 177.32 1pma s TYR 132 N -1.98 3.04 -1.17 6.54 1.51 -1.26 -4.92 117.35 119.11 1pma s TYR 132 Ca 0.74 0.90 -0.06 0.00 -1.01 0.00 0.00 57.07 57.65 1pma s TYR 132 Cb -0.28 -3.65 0.24 0.00 -0.11 0.00 0.00 41.96 38.16 1pma s TYR 132 CO 0.43 -2.34 1.76 0.41 -1.11 0.00 0.00 175.55 174.71 1pma n GLY 133 N 3.56 5.16 3.48 0.71 0.00 -1.26 -4.59 105.19 112.24 1pma n GLY 133 Ca 0.12 -2.39 -0.16 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.70 0.00 0.02 1.61 0.11 -1.26 -0.15 120.40 119.04 1pma s VAL 134 Ca 0.37 -0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.44 1pma s VAL 134 Cb 0.10 -0.99 -0.02 0.00 -1.53 0.00 0.00 36.38 33.94 1pma s VAL 134 CO 0.02 -0.01 -0.12 -0.44 -3.33 0.00 0.00 175.10 171.22 1pma s SER 135 N -1.65 1.38 0.13 3.54 0.01 0.15 -3.23 113.70 114.02 1pma s SER 135 Ca -0.08 -0.35 -0.09 0.00 1.31 0.00 0.00 55.95 56.74 1pma s SER 135 Cb -0.00 -0.10 -0.00 0.00 0.21 0.00 0.00 66.02 66.12 1pma s SER 135 CO 0.03 0.05 0.24 -1.48 0.41 0.00 0.00 173.24 172.48 1pma s LEU 136 N -0.81 1.19 -0.01 2.44 0.05 -0.53 0.30 118.68 121.31 1pma s LEU 136 Ca 0.01 -0.76 0.04 0.00 0.05 0.00 0.00 54.13 53.47 1pma s LEU 136 Cb -0.06 1.11 -0.01 0.00 -2.05 0.00 0.00 46.19 45.18 1pma s LEU 136 CO 0.00 -0.81 -0.13 0.27 -0.55 0.00 0.00 176.35 175.14 1pma s ILE 137 N -3.91 1.00 -0.07 1.48 -4.36 -0.11 0.22 121.20 115.44 1pma s ILE 137 Ca 0.11 -0.54 0.01 0.00 -0.26 0.00 0.00 60.65 59.98 1pma s ILE 137 Cb 0.04 -0.84 -0.03 0.00 1.25 0.00 0.00 42.46 42.88 1pma s ILE 137 CO -0.06 0.28 -0.10 -0.36 0.24 0.00 0.00 174.94 174.95 1pma s PHE 138 N -0.26 2.86 -0.03 1.37 0.40 -0.40 -1.67 117.98 120.25 1pma s PHE 138 Ca 0.04 -0.10 -0.14 0.00 -0.60 0.00 0.00 56.93 56.14 1pma s PHE 138 Cb -0.05 -1.71 0.02 0.00 0.51 0.00 0.00 43.02 41.80 1pma s PHE 138 CO -0.00 0.23 0.31 0.00 0.70 0.00 0.00 175.22 176.45 1pma s ALA 139 N -0.65 -0.77 0.00 5.36 0.00 -0.28 -0.98 121.76 124.43 1pma s ALA 139 Ca 0.10 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.47 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 0.01 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1pma n GLY 140 N 1.57 -0.06 3.58 0.00 0.00 -0.76 -0.60 105.19 108.92 1pma n GLY 140 Ca -0.20 -1.20 -0.34 0.00 0.00 0.00 0.00 46.02 44.27 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 4.27 0.13 -0.61 -1.16 -1.00 -0.31 121.20 120.52 1pma s ILE 141 Ca 0.00 -0.23 0.00 0.00 -0.51 0.00 0.00 60.65 59.91 1pma s ILE 141 Cb 0.00 -2.87 0.00 0.00 0.61 0.00 0.00 42.46 40.20 1pma s ILE 141 CO 0.00 0.50 0.00 -0.90 -2.81 0.00 0.00 174.94 171.74 1pma n ASP 142 N 3.26 2.34 -0.06 4.50 3.85 -0.25 -4.84 116.55 125.36 1pma n ASP 142 Ca -0.17 -1.56 0.24 0.00 -0.71 0.00 0.00 54.79 52.58 1pma n ASP 142 Cb 0.53 0.09 0.72 0.00 -1.35 0.00 0.00 41.12 41.10 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 0.00 0.11 0.11 5.75 -1.63 0.46 115.11 119.91 1pma h GLN 143 Ca -0.11 0.00 -0.29 0.00 -0.15 0.00 0.00 58.65 58.10 1pma h GLN 143 Cb 0.32 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 1pma h GLN 143 CO 0.18 0.00 -1.45 0.82 -2.65 0.00 0.00 178.83 175.73 1pma h ILE 144 N 0.00 1.25 0.00 2.39 2.04 -1.96 -3.51 117.51 117.72 1pma h ILE 144 Ca 0.31 -2.88 0.00 0.00 1.00 0.00 0.00 64.86 63.30 1pma h ILE 144 Cb 1.33 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 40.21 1pma h ILE 144 CO -0.00 0.83 0.00 0.61 0.00 0.00 0.00 178.15 179.59 1pma n GLY 145 N 1.62 0.38 3.75 5.37 0.00 0.15 -5.09 105.19 111.37 1pma n GLY 145 Ca -0.14 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 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 4.16 0.03 1.61 0.02 -1.26 -1.09 135.00 136.48 1pma s PRO 146 Ca 0.00 2.50 0.03 0.00 0.02 0.00 0.00 61.00 63.54 1pma s PRO 146 Cb 0.00 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.46 1pma s PRO 146 CO 0.00 -0.55 -0.08 1.03 -0.33 0.00 0.00 177.00 177.06 1pma s ARG 147 N -0.67 0.58 -0.09 5.54 0.52 0.58 -4.90 118.95 120.50 1pma s ARG 147 Ca 0.61 -0.62 -0.04 0.00 -0.52 0.00 0.00 55.73 55.16 1pma s ARG 147 Cb -0.46 -0.45 0.05 0.00 0.52 0.00 0.00 34.95 34.61 1pma s ARG 147 CO 0.48 0.10 0.17 -1.17 0.02 0.00 0.00 175.30 174.91 1pma s LEU 148 N -1.14 -0.06 0.14 2.53 2.96 -1.26 -1.82 118.68 120.03 1pma s LEU 148 Ca -0.05 0.37 0.04 0.00 -0.22 0.00 0.00 54.13 54.27 1pma s LEU 148 Cb -0.08 0.34 -0.04 0.00 0.50 0.00 0.00 46.19 46.91 1pma s LEU 148 CO 0.00 -0.24 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.36 1pma s PHE 149 N 2.24 1.19 0.24 5.38 0.40 -0.16 -1.35 117.98 125.92 1pma s PHE 149 Ca 0.02 -0.82 0.07 0.00 -0.60 0.00 0.00 56.93 55.60 1pma s PHE 149 Cb -0.12 -0.63 -0.05 0.00 0.51 0.00 0.00 43.02 42.73 1pma s PHE 149 CO -0.06 0.00 -0.09 0.16 0.70 0.00 0.00 175.22 175.93 1pma s ASP 150 N -3.15 2.58 -0.16 1.36 -4.77 -0.96 -1.27 116.67 110.31 1pma s ASP 150 Ca 0.17 -1.11 -0.07 0.00 -3.30 0.00 0.00 52.55 48.23 1pma s ASP 150 Cb 0.04 -0.14 0.06 0.00 -1.09 0.00 0.00 42.92 41.79 1pma s ASP 150 CO -0.00 -0.28 0.37 0.00 0.70 0.00 0.00 175.17 175.96 1pma s ASP 152 N 1.77 5.18 0.55 0.00 -4.77 -1.14 -1.45 116.67 116.81 1pma s ASP 152 Ca -0.06 -0.74 0.29 0.00 -3.30 0.00 0.00 52.55 48.73 1pma s ASP 152 Cb -0.10 -0.27 1.45 0.00 -1.09 0.00 0.00 42.92 42.92 1pma s ASP 152 CO -0.12 -0.90 1.94 -0.65 0.70 0.00 0.00 175.17 176.14 1pma h PRO 153 N 0.69 0.00 0.00 2.11 0.11 -1.80 -0.64 132.00 132.48 1pma h PRO 153 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1pma h PRO 153 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1pma h PRO 153 CO 0.50 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.29 1pma h ALA 154 N 1.61 1.00 0.00 -0.75 0.00 -1.90 -3.43 119.26 115.80 1pma h ALA 154 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1pma h ALA 154 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1pma h ALA 154 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1pma n GLY 155 N 0.62 0.77 3.76 0.00 0.00 -0.25 -4.37 105.19 105.73 1pma n GLY 155 Ca 0.03 0.00 -0.39 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 -2.19 3.54 -0.00 2.61 2.01 -1.26 -4.78 115.64 115.57 1pma s THR 156 Ca 0.00 1.44 0.01 0.00 0.31 0.00 0.00 61.69 63.44 1pma s THR 156 Cb 0.00 -3.87 -0.00 0.00 0.01 0.00 0.00 72.50 68.64 1pma s THR 156 CO 0.00 0.25 -0.02 -0.51 -0.69 0.00 0.00 174.62 173.65 1pma s ILE 157 N -1.31 0.18 0.05 1.82 2.07 -1.26 -2.88 121.20 119.87 1pma s ILE 157 Ca 0.49 -0.09 -0.07 0.00 -1.41 0.00 0.00 60.65 59.56 1pma s ILE 157 Cb -0.29 -0.16 -0.01 0.00 0.13 0.00 0.00 42.46 42.13 1pma s ILE 157 CO 0.37 0.05 0.14 0.20 -1.91 0.00 0.00 174.94 173.80 1pma s ASN 158 N -0.02 0.14 -0.11 4.50 -0.87 -1.22 -5.01 114.94 112.34 1pma s ASN 158 Ca 0.01 -0.54 -0.04 0.00 -1.57 0.00 0.00 52.86 50.72 1pma s ASN 158 Cb -0.01 0.28 -0.03 0.00 -0.02 0.00 0.00 41.25 41.46 1pma s ASN 158 CO -0.00 -0.59 0.02 -0.70 -2.57 0.00 0.00 177.10 173.26 1pma s GLU 159 N -3.01 3.27 0.38 -0.60 2.12 -1.26 -2.26 118.70 117.33 1pma s GLU 159 Ca -0.02 -0.38 0.06 0.00 0.36 0.00 0.00 54.97 54.99 1pma s GLU 159 Cb 0.01 -2.92 -0.07 0.00 0.26 0.00 0.00 34.13 31.41 1pma s GLU 159 CO -0.06 0.60 0.03 0.71 -0.54 0.00 0.00 175.26 175.99 1pma s TYR 160 N -0.57 2.28 -0.13 5.30 1.51 -0.46 -5.00 117.35 120.28 1pma s TYR 160 Ca 0.10 -0.80 0.19 0.00 -1.01 0.00 0.00 57.07 55.55 1pma s TYR 160 Cb -0.12 -1.58 -0.22 0.00 -0.11 0.00 0.00 41.96 39.93 1pma s TYR 160 CO 0.02 0.26 0.51 1.17 -1.11 0.00 0.00 175.55 176.41 1pma n LYS 161 N -0.87 0.65 -3.63 -0.62 3.00 -1.26 -4.49 118.16 110.93 1pma n LYS 161 Ca -0.04 0.04 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 1pma n LYS 161 Cb 0.67 -1.65 -0.05 0.00 0.00 0.00 0.00 35.03 34.01 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 -2.97 -2.10 0.04 3.14 0.00 -1.26 -1.75 121.76 116.86 1pma s ALA 162 Ca -0.06 1.82 -0.28 0.00 0.00 0.00 0.00 51.96 53.44 1pma s ALA 162 Cb 0.09 -1.44 0.10 0.00 0.00 0.00 0.00 23.12 21.87 1pma s ALA 162 CO 0.84 -0.23 1.20 -0.08 0.00 0.00 0.00 175.76 177.49 1pma s THR 163 N -0.85 0.00 0.24 0.00 -1.32 -0.66 -5.01 115.64 108.05 1pma s THR 163 Ca 0.07 -0.33 0.02 0.00 -1.21 0.00 0.00 61.69 60.23 1pma s THR 163 Cb -0.02 -2.41 -0.01 0.00 -1.51 0.00 0.00 72.50 68.56 1pma s THR 163 CO -0.08 0.00 0.29 0.00 -2.21 0.00 0.00 174.62 172.62 1pma n ALA 164 N -0.63 0.07 -3.71 11.08 0.00 -1.26 -1.12 120.51 124.93 1pma n ALA 164 Ca -0.04 -1.25 -0.06 0.00 0.00 0.00 0.00 53.44 52.09 1pma n ALA 164 Cb 0.61 1.01 -0.02 0.00 0.00 0.00 0.00 19.45 21.05 1pma n ALA 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1pma s ILE 165 N -2.81 0.00 0.00 0.00 1.10 0.13 -4.95 121.20 114.67 1pma s ILE 165 Ca 0.24 -0.59 0.00 0.00 -0.51 0.00 0.00 60.65 59.79 1pma s ILE 165 Cb 0.00 -1.76 0.00 0.00 0.15 0.00 0.00 42.46 40.85 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 -0.43 -0.23 0.24 1.50 0.00 -1.26 -1.22 105.19 103.80 1pma n GLY 166 Ca -0.07 -1.92 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 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 0.00 -0.51 -0.23 1.61 0.87 -1.26 -3.23 113.55 110.81 1pma h SER 167 Ca 0.00 0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.43 1pma h SER 167 Cb 0.00 0.13 -0.07 0.00 -0.44 0.00 0.00 62.40 62.02 1pma h SER 167 CO 0.00 -0.34 0.19 0.61 -0.53 0.00 0.00 176.83 176.76 1pma n GLY 168 N -1.00 3.15 0.23 5.77 0.00 -1.26 -4.51 105.19 107.56 1pma n GLY 168 Ca -0.07 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 1.05 -0.52 -0.95 1.61 3.64 -1.77 -1.93 116.57 117.70 1pma h LYS 169 Ca 0.14 0.04 0.27 0.00 -1.27 0.00 0.00 60.65 59.83 1pma h LYS 169 Cb 1.04 0.12 -0.17 0.00 -0.41 0.00 0.00 32.23 32.81 1pma h LYS 169 CO 0.35 -0.35 0.12 -0.44 -2.27 0.00 0.00 179.45 176.86 1pma h ASP 170 N -0.54 -0.29 0.68 4.20 3.32 -1.88 0.36 116.42 122.28 1pma h ASP 170 Ca -0.05 0.25 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1pma h ASP 170 Cb 0.43 0.41 0.01 0.00 0.22 0.00 0.00 39.33 40.39 1pma h ASP 170 CO 0.06 -0.31 -0.33 0.00 -1.72 0.00 0.00 179.24 176.95 1pma h ALA 171 N 1.92 -0.92 -0.65 3.45 0.00 -1.87 -2.56 119.26 118.62 1pma h ALA 171 Ca 0.60 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1pma h ALA 171 Cb 1.26 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 1pma h ALA 171 CO -0.83 -0.90 0.35 -0.24 0.00 0.00 0.00 179.25 177.63 1pma h VAL 172 N -1.15 1.20 -0.93 0.00 3.04 -0.43 -2.16 116.25 115.82 1pma h VAL 172 Ca -0.09 -0.52 0.01 0.00 -1.01 0.00 0.00 66.70 65.08 1pma h VAL 172 Cb 0.73 0.33 -0.05 0.00 -2.01 0.00 0.00 31.29 30.30 1pma h VAL 172 CO 0.15 0.23 0.60 1.62 -1.01 0.00 0.00 177.57 179.16 1pma h VAL 173 N 0.91 1.24 -0.16 1.51 3.04 -0.33 -1.89 116.25 120.57 1pma h VAL 173 Ca 0.23 -0.47 -0.01 0.00 -1.01 0.00 0.00 66.70 65.44 1pma h VAL 173 Cb 0.04 -0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 29.21 1pma h VAL 173 CO -0.04 0.24 0.04 0.28 -1.01 0.00 0.00 177.57 177.09 1pma h SER 174 N 1.26 0.24 -0.40 3.17 0.02 -0.97 0.27 113.55 117.14 1pma h SER 174 Ca 0.34 -0.23 0.08 0.00 -0.84 0.00 0.00 61.79 61.15 1pma h SER 174 Cb -0.12 -0.06 -0.08 0.00 0.14 0.00 0.00 62.40 62.27 1pma h SER 174 CO -0.07 0.40 -0.16 0.15 -1.14 0.00 0.00 176.83 176.01 1pma h PHE 175 N 0.07 -0.39 -0.09 3.45 3.04 -0.89 -0.33 116.94 121.80 1pma h PHE 175 Ca 0.05 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 1pma h PHE 175 Cb 0.25 0.23 -0.00 0.00 2.56 0.00 0.00 35.95 39.00 1pma h PHE 175 CO 0.01 -0.24 0.03 -0.07 -2.02 0.00 0.00 178.31 176.02 1pma h LEU 176 N -0.08 0.12 -1.80 0.59 -0.00 -1.19 0.32 115.31 113.27 1pma h LEU 176 Ca 0.20 -0.17 0.33 0.00 -0.00 0.00 0.00 57.88 58.24 1pma h LEU 176 Cb 0.38 -0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 40.97 1pma h LEU 176 CO -0.46 0.26 0.95 -0.08 -0.00 0.00 0.00 178.44 179.11 1pma h GLU 177 N -0.02 0.00 0.00 1.13 4.57 0.85 0.49 114.58 121.60 1pma h GLU 177 Ca 0.03 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.94 1pma h GLU 177 Cb 0.18 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 1pma h GLU 177 CO -0.00 0.00 -1.88 -2.13 -1.18 0.00 0.00 179.01 173.82 1pma n ARG 178 N -3.85 0.53 -0.72 1.92 0.63 -0.26 -4.74 116.66 110.17 1pma n ARG 178 Ca 0.25 0.23 0.08 0.00 -0.92 0.00 0.00 57.85 57.48 1pma n ARG 178 Cb 1.32 -1.41 0.36 0.00 0.45 0.00 0.00 32.46 33.19 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 -4.26 4.16 -2.49 -0.14 1.02 0.11 -4.97 120.64 114.07 1pma n GLU 179 Ca -0.37 -2.86 -0.42 0.00 -0.02 0.00 0.00 57.16 53.50 1pma n GLU 179 Cb 0.72 -2.05 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 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 -2.25 3.44 -0.29 -0.32 5.04 0.17 -4.92 117.35 118.21 1pma s TYR 180 Ca 0.50 1.37 -0.08 0.00 -2.44 0.00 0.00 57.07 56.42 1pma s TYR 180 Cb 0.35 -3.36 -0.00 0.00 0.35 0.00 0.00 41.96 39.30 1pma s TYR 180 CO 0.19 -1.03 0.09 0.21 -1.34 0.00 0.00 175.55 173.68 1pma s LYS 181 N 1.27 3.26 0.00 4.97 2.47 -1.26 -5.03 119.74 125.42 1pma s LYS 181 Ca 0.57 -0.75 0.00 0.00 -1.56 0.00 0.00 55.97 54.23 1pma s LYS 181 Cb -0.27 -3.41 0.00 0.00 -1.46 0.00 0.00 37.83 32.70 1pma s LYS 181 CO 0.28 -0.38 0.08 -1.91 0.16 0.00 0.00 175.35 173.57 1pma n GLU 182 N 4.91 0.00 -1.70 4.03 4.07 -1.26 -2.77 120.64 127.92 1pma n GLU 182 Ca -0.15 0.08 -0.34 0.00 -0.06 0.00 0.00 57.16 56.69 1pma n GLU 182 Cb 0.49 -0.34 0.01 0.00 -0.06 0.00 0.00 31.44 31.54 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 -0.23 7.14 -4.70 4.31 5.03 -1.26 -4.67 115.26 120.87 1pma n ASN 183 Ca 0.00 -3.59 -0.42 0.00 0.87 0.00 0.00 54.58 51.44 1pma n ASN 183 Cb 0.00 -1.12 -0.03 0.00 -1.02 0.00 0.00 39.78 37.61 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 -3.32 4.37 0.46 3.41 2.96 -1.11 -4.26 118.68 121.19 1pma s LEU 184 Ca 0.55 2.62 -0.24 0.00 -0.22 0.00 0.00 54.13 56.84 1pma s LEU 184 Cb 0.42 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 43.46 1pma s LEU 184 CO -0.32 -0.89 1.32 -2.84 -1.32 0.00 0.00 176.35 172.30 1pma s PRO 185 N 1.90 3.65 0.05 0.98 0.02 -1.26 -1.40 135.00 138.95 1pma s PRO 185 Ca 0.74 2.16 -0.10 0.00 0.02 0.00 0.00 61.00 63.81 1pma s PRO 185 Cb -0.43 -2.54 -0.02 0.00 0.02 0.00 0.00 34.50 31.52 1pma s PRO 185 CO 0.32 -0.75 0.81 -1.91 -0.33 0.00 0.00 177.00 175.14 1pma n GLU 186 N -0.36 -0.14 -0.26 5.54 2.13 -1.26 -0.58 120.64 125.72 1pma n GLU 186 Ca 0.06 0.80 0.06 0.00 0.66 0.00 0.00 57.16 58.75 1pma n GLU 186 Cb 0.44 -1.18 0.19 0.00 0.27 0.00 0.00 31.44 31.16 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 -0.26 5.31 3.64 -2.00 0.85 116.57 124.34 1pma h LYS 187 Ca 0.05 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.24 1pma h LYS 187 Cb 0.13 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1pma h LYS 187 CO -0.31 0.15 -0.56 0.93 -2.27 0.00 0.00 179.45 177.40 1pma h GLU 188 N 0.23 0.79 -0.22 1.90 5.08 -1.19 -2.58 114.58 118.58 1pma h GLU 188 Ca 0.43 -0.50 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1pma h GLU 188 Cb 0.76 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1pma h GLU 188 CO -0.55 1.13 0.11 0.00 -1.00 0.00 0.00 179.01 178.70 1pma h ALA 189 N 0.76 0.27 -0.48 3.43 0.00 0.13 0.14 119.26 123.51 1pma h ALA 189 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pma h ALA 189 Cb 1.15 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1pma h ALA 189 CO 0.12 -0.30 0.31 -0.24 0.00 0.00 0.00 179.25 179.14 1pma h VAL 190 N 0.24 1.13 0.78 0.00 3.04 -0.95 0.14 116.25 120.63 1pma h VAL 190 Ca 0.09 -0.24 -0.04 0.00 -1.01 0.00 0.00 66.70 65.50 1pma h VAL 190 Cb 0.02 0.42 0.01 0.00 -2.01 0.00 0.00 31.29 29.73 1pma h VAL 190 CO -0.06 0.13 -0.38 0.74 -1.01 0.00 0.00 177.57 176.98 1pma h THR 191 N 0.66 0.00 -1.01 3.17 2.02 -0.82 0.75 112.91 117.68 1pma h THR 191 Ca 0.18 -0.23 0.26 0.00 0.77 0.00 0.00 66.41 67.38 1pma h THR 191 Cb -0.06 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.22 1pma h THR 191 CO -0.04 0.00 0.61 0.25 0.37 0.00 0.00 175.52 176.71 1pma h LEU 192 N -1.28 0.63 0.50 2.58 5.85 -0.24 0.70 115.31 124.05 1pma h LEU 192 Ca -0.11 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1pma h LEU 192 Cb 0.81 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1pma h LEU 192 CO 0.18 0.08 -0.24 1.23 -0.34 0.00 0.00 178.44 179.35 1pma h GLY 193 N 0.53 -0.70 0.61 3.75 0.00 -0.55 0.19 103.07 106.91 1pma h GLY 193 Ca 0.65 0.26 0.18 0.00 0.00 0.00 0.00 47.33 48.42 1pma h GLY 193 CO -0.46 -0.26 0.52 1.19 0.00 0.00 0.00 176.54 177.53 1pma h ILE 194 N -0.79 0.51 0.24 2.60 2.10 0.29 0.38 117.51 122.84 1pma h ILE 194 Ca -0.07 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.86 1pma h ILE 194 Cb 0.52 0.62 0.00 0.00 -1.09 0.00 0.00 36.82 36.87 1pma h ILE 194 CO 0.11 0.00 -0.12 0.50 -1.08 0.00 0.00 178.15 177.57 1pma h LYS 195 N 0.00 -0.31 -0.67 2.19 3.64 -0.76 -0.36 116.57 120.30 1pma h LYS 195 Ca 0.30 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.77 1pma h LYS 195 Cb 1.33 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 33.16 1pma h LYS 195 CO -0.00 0.05 0.35 0.00 -2.27 0.00 0.00 179.45 177.58 1pma h ALA 196 N -0.24 0.90 -0.21 5.00 0.00 0.17 -0.25 119.26 124.63 1pma h ALA 196 Ca -0.03 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pma h ALA 196 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1pma h ALA 196 CO 0.05 0.01 0.12 1.25 0.00 0.00 0.00 179.25 180.68 1pma h LEU 197 N 0.64 0.26 0.00 0.00 5.85 -0.53 -2.75 115.31 118.79 1pma h LEU 197 Ca 0.31 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1pma h LEU 197 Cb 0.24 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1pma h LEU 197 CO -0.21 0.26 0.00 1.17 -0.34 0.00 0.00 178.44 179.32 1pma n LYS 198 N -4.89 0.00 -0.21 1.25 4.81 -0.15 -2.43 118.16 116.54 1pma n LYS 198 Ca -0.03 0.50 0.01 0.00 -0.87 0.00 0.00 58.31 57.93 1pma n LYS 198 Cb 0.07 -1.26 0.05 0.00 0.02 0.00 0.00 35.03 33.91 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 -1.65 -0.28 0.00 3.14 3.41 -0.21 -0.23 113.62 117.79 1pma n SER 199 Ca 0.00 0.97 0.00 0.00 -0.26 0.00 0.00 58.87 59.58 1pma n SER 199 Cb 0.00 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 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 -4.87 0.00 0.34 4.04 2.88 -1.02 -3.60 113.62 111.39 1pma n SER 200 Ca 0.07 0.00 0.23 0.00 -1.33 0.00 0.00 58.87 57.84 1pma n SER 200 Cb 0.25 0.00 1.20 0.00 -0.75 0.00 0.00 64.21 64.91 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 -3.08 2.46 7.12 -1.38 -3.30 115.31 117.13 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 -3.09 0.34 0.12 1.25 4.71 0.68 -3.24 120.64 121.41 1pma n GLU 202 Ca -0.03 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.10 1pma n GLU 202 Cb 0.08 -1.33 0.16 0.00 -1.01 0.00 0.00 31.44 29.35 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 2.41 0.06 -1.18 3.49 4.22 -1.78 -2.92 114.58 118.88 1pma h GLU 203 Ca 0.00 -0.04 -0.42 0.00 0.08 0.00 0.00 59.36 58.97 1pma h GLU 203 Cb 0.34 0.01 -0.21 0.00 0.50 0.00 0.00 28.75 29.39 1pma h GLU 203 CO 0.00 0.65 0.54 0.41 -2.18 0.00 0.00 179.01 178.43 1pma n GLY 204 N 0.23 4.38 5.25 1.92 0.00 -1.20 -4.99 105.19 110.77 1pma n GLY 204 Ca -0.02 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.37 0.00 -1.86 1.61 4.07 -1.10 -4.78 120.64 118.21 1pma n GLU 205 Ca 0.43 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 57.10 1pma n GLU 205 Cb 0.90 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 32.26 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 3.82 0.50 5.31 2.12 -1.26 -4.88 118.70 124.30 1pma s GLU 206 Ca 0.00 2.10 0.32 0.00 0.36 0.00 0.00 54.97 57.75 1pma s GLU 206 Cb 0.00 -4.14 1.31 0.00 0.26 0.00 0.00 34.13 31.56 1pma s GLU 206 CO 0.00 -1.30 1.94 1.25 -0.54 0.00 0.00 175.26 176.61 1pma h LEU 207 N 11.87 0.00 0.00 2.70 5.85 -1.98 -3.49 115.31 130.27 1pma h LEU 207 Ca -0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.31 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 0.97 0.00 0.00 1.17 -0.34 0.00 0.00 178.44 180.24 1pma n LYS 208 N -2.92 0.00 -3.79 1.25 3.00 -1.26 -4.47 118.16 109.97 1pma n LYS 208 Ca 0.01 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.95 1pma n LYS 208 Cb 0.29 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.20 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 -1.90 3.05 0.54 3.14 0.00 -1.25 -5.06 121.76 120.26 1pma s ALA 209 Ca 0.00 -2.08 -0.17 0.00 0.00 0.00 0.00 51.96 49.71 1pma s ALA 209 Cb 0.00 -2.27 -0.07 0.00 0.00 0.00 0.00 23.12 20.78 1pma s ALA 209 CO 0.00 -1.52 1.01 -2.14 0.00 0.00 0.00 175.76 173.11 1pma s PRO 210 N 1.27 3.76 -0.21 0.00 0.02 -1.26 -2.68 135.00 135.90 1pma s PRO 210 Ca 0.01 1.05 -0.05 0.00 0.02 0.00 0.00 61.00 62.03 1pma s PRO 210 Cb -0.21 -2.10 -0.02 0.00 0.02 0.00 0.00 34.50 32.18 1pma s PRO 210 CO -0.01 -0.43 -0.00 -2.00 -0.33 0.00 0.00 177.00 174.22 1pma s GLU 211 N -4.03 3.58 -0.01 5.54 2.12 0.14 -4.81 118.70 121.24 1pma s GLU 211 Ca 0.61 -0.54 0.01 0.00 0.36 0.00 0.00 54.97 55.41 1pma s GLU 211 Cb -0.12 -3.08 -0.00 0.00 0.26 0.00 0.00 34.13 31.19 1pma s GLU 211 CO 0.32 -0.04 -0.04 -1.50 -0.54 0.00 0.00 175.26 173.46 1pma s ILE 212 N 1.12 0.35 0.01 -3.70 2.07 -1.26 0.20 121.20 119.99 1pma s ILE 212 Ca 0.02 -0.18 -0.02 0.00 -1.41 0.00 0.00 60.65 59.07 1pma s ILE 212 Cb -0.14 -0.31 -0.01 0.00 0.13 0.00 0.00 42.46 42.12 1pma s ILE 212 CO 0.01 0.11 0.03 0.00 -1.91 0.00 0.00 174.94 173.18 1pma s ALA 213 N -0.01 -0.05 0.02 1.50 0.00 -0.08 -1.20 121.76 121.93 1pma s ALA 213 Ca 0.01 -0.30 -0.09 0.00 0.00 0.00 0.00 51.96 51.57 1pma s ALA 213 Cb -0.03 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.18 1pma s ALA 213 CO -0.00 -0.14 0.18 -1.54 0.00 0.00 0.00 175.76 174.25 1pma s SER 214 N -1.10 0.02 0.06 0.00 1.04 0.44 0.21 113.70 114.37 1pma s SER 214 Ca -0.12 -0.26 0.02 0.00 0.48 0.00 0.00 55.95 56.06 1pma s SER 214 Cb -0.07 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.27 1pma s SER 214 CO -0.00 -0.47 -0.07 -0.51 0.98 0.00 0.00 173.24 173.18 1pma s ILE 215 N -1.96 0.53 0.03 -1.02 2.07 -0.60 -0.80 121.20 119.45 1pma s ILE 215 Ca -0.10 -1.40 0.02 0.00 -1.41 0.00 0.00 60.65 57.76 1pma s ILE 215 Cb -0.04 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.53 1pma s ILE 215 CO -0.01 -0.60 -0.08 0.28 -1.91 0.00 0.00 174.94 172.63 1pma s THR 216 N -2.31 0.56 0.17 4.00 -1.32 -1.26 -1.63 115.64 113.84 1pma s THR 216 Ca -0.02 -0.85 -0.33 0.00 -1.21 0.00 0.00 61.69 59.28 1pma s THR 216 Cb -0.04 -0.57 -0.16 0.00 -1.51 0.00 0.00 72.50 70.22 1pma s THR 216 CO -0.02 -0.22 1.18 0.55 -2.21 0.00 0.00 174.62 173.90 1pma n VAL 217 N 1.89 0.83 0.00 5.08 3.14 0.61 -2.16 118.33 127.72 1pma n VAL 217 Ca -0.20 -0.21 0.00 0.00 -2.96 0.00 0.00 64.34 60.97 1pma n VAL 217 Cb 0.56 -0.86 0.00 0.00 -1.06 0.00 0.00 33.84 32.47 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 2.05 2.49 1.89 7.55 0.00 -1.26 -5.03 105.19 112.89 1pma n GLY 218 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.72 -4.90 1.61 6.94 -0.92 -5.17 115.26 112.10 1pma n ASN 219 Ca 0.00 -2.09 -0.29 0.00 -0.02 0.00 0.00 54.58 52.18 1pma n ASN 219 Cb 0.00 1.37 0.05 0.00 -2.36 0.00 0.00 39.78 38.84 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 -2.50 2.69 0.43 -3.83 1.02 -1.26 -4.49 119.74 111.80 1pma s LYS 220 Ca 0.17 0.26 -0.26 0.00 0.02 0.00 0.00 55.97 56.17 1pma s LYS 220 Cb -0.00 -2.07 -0.09 0.00 -0.52 0.00 0.00 37.83 35.15 1pma s LYS 220 CO 0.12 -1.06 1.39 0.71 -0.92 0.00 0.00 175.35 175.59 1pma s TYR 221 N -3.31 2.58 -0.11 3.18 2.02 -0.80 -4.61 117.35 116.30 1pma s TYR 221 Ca 0.58 1.30 0.02 0.00 -0.37 0.00 0.00 57.07 58.60 1pma s TYR 221 Cb -0.11 -3.85 0.01 0.00 -0.40 0.00 0.00 41.96 37.61 1pma s TYR 221 CO 0.49 -2.68 -0.17 0.50 -1.57 0.00 0.00 175.55 172.13 1pma s ARG 222 N -2.35 2.38 -0.14 -0.62 3.52 0.02 -5.00 118.95 116.76 1pma s ARG 222 Ca 0.59 -0.62 -0.10 0.00 -0.13 0.00 0.00 55.73 55.47 1pma s ARG 222 Cb -0.42 -1.99 -0.05 0.00 -1.56 0.00 0.00 34.95 30.93 1pma s ARG 222 CO 0.55 -0.04 0.19 0.42 -0.81 0.00 0.00 175.30 175.60 1pma s ILE 223 N 0.93 5.40 0.18 4.11 1.01 -1.26 -0.42 121.20 131.14 1pma s ILE 223 Ca -0.07 0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.60 1pma s ILE 223 Cb -0.15 -3.49 -0.08 0.00 0.01 0.00 0.00 42.46 38.75 1pma s ILE 223 CO -0.01 0.52 1.15 -0.31 0.00 0.00 0.00 174.94 176.29 1pma s TYR 224 N -0.37 3.51 0.40 3.97 1.51 -0.34 -4.98 117.35 121.05 1pma s TYR 224 Ca 0.14 1.52 -0.15 0.00 -1.01 0.00 0.00 57.07 57.57 1pma s TYR 224 Cb -0.12 -3.35 -0.08 0.00 -0.11 0.00 0.00 41.96 38.29 1pma s TYR 224 CO 0.03 -0.89 0.83 0.16 -1.11 0.00 0.00 175.55 174.57 1pma s ASP 225 N 0.01 6.70 0.17 2.29 -4.77 -1.26 -4.79 116.67 115.01 1pma s ASP 225 Ca 0.51 1.37 -0.09 0.00 -3.30 0.00 0.00 52.55 51.03 1pma s ASP 225 Cb -0.31 -2.41 0.22 0.00 -1.09 0.00 0.00 42.92 39.32 1pma s ASP 225 CO 0.36 -0.37 1.05 1.67 0.70 0.00 0.00 175.17 178.58 1pma n GLN 226 N -0.93 -0.12 -0.15 2.11 7.27 -1.26 0.30 117.38 124.60 1pma n GLN 226 Ca 0.04 1.05 -0.10 0.00 0.07 0.00 0.00 57.00 58.06 1pma n GLN 226 Cb 0.54 -1.56 -0.01 0.00 2.41 0.00 0.00 30.24 31.62 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 0.80 -0.23 3.69 3.07 -1.98 -1.87 114.58 118.06 1pma h GLU 227 Ca 0.27 -0.27 0.02 0.00 -0.50 0.00 0.00 59.36 58.87 1pma h GLU 227 Cb 0.44 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 1pma h GLU 227 CO -0.68 0.88 0.11 1.49 -1.40 0.00 0.00 179.01 179.41 1pma h GLU 228 N 0.63 0.23 -0.40 2.33 4.81 -0.52 -1.36 114.58 120.30 1pma h GLU 228 Ca 0.12 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1pma h GLU 228 Cb 0.55 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1pma h GLU 228 CO 0.03 0.15 0.18 -0.24 -0.73 0.00 0.00 179.01 178.40 1pma h VAL 229 N 0.23 1.18 -0.04 0.32 3.04 -1.27 -1.93 116.25 117.78 1pma h VAL 229 Ca 0.09 -0.51 0.01 0.00 -1.01 0.00 0.00 66.70 65.29 1pma h VAL 229 Cb 0.03 0.78 -0.00 0.00 -2.01 0.00 0.00 31.29 30.09 1pma h VAL 229 CO -0.07 0.19 0.12 0.50 -1.01 0.00 0.00 177.57 177.30 1pma h LYS 230 N 0.50 0.00 -0.17 4.17 3.64 -0.85 0.55 116.57 124.40 1pma h LYS 230 Ca 0.14 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 1pma h LYS 230 Cb 0.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1pma h LYS 230 CO -0.02 0.00 -0.39 -0.22 -2.27 0.00 0.00 179.45 176.56 1pma h LYS 231 N 0.00 0.37 0.00 1.90 3.64 -0.42 -3.02 116.57 119.03 1pma h LYS 231 Ca 0.02 -0.17 -0.21 0.00 -1.27 0.00 0.00 60.65 59.02 1pma h LYS 231 Cb 0.26 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 1pma h LYS 231 CO -0.00 0.70 -1.53 1.19 -2.27 0.00 0.00 179.45 177.54 1pma n PHE 232 N -4.04 0.96 0.33 1.91 3.01 0.07 -5.13 117.46 114.57 1pma n PHE 232 Ca -0.01 0.33 0.03 0.00 1.01 0.00 0.00 57.45 58.80 1pma n PHE 232 Cb 0.48 -1.11 0.15 0.00 -0.01 0.00 0.00 39.48 38.99 1pma n PHE 232 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66