#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 0.16 12.58 -7.23 -1.26 -4.90 120.40 119.75 1pma s VAL 14 Ca 0.00 -1.95 -0.26 0.00 -1.81 0.00 0.00 61.98 57.95 1pma s VAL 14 Cb 0.00 -2.49 -0.08 0.00 0.56 0.00 0.00 36.38 34.38 1pma s VAL 14 CO 0.00 0.00 0.82 -0.36 -0.31 0.00 0.00 175.10 175.25 1pma s PHE 15 N -3.98 3.90 0.64 2.82 0.08 -1.26 -4.28 117.98 115.90 1pma s PHE 15 Ca 0.38 1.68 -0.11 0.00 0.12 0.00 0.00 56.93 59.00 1pma s PHE 15 Cb 0.05 -2.83 -0.03 0.00 -0.57 0.00 0.00 43.02 39.65 1pma s PHE 15 CO 0.15 0.46 1.04 -1.54 -0.10 0.00 0.00 175.22 175.23 1pma s SER 16 N -0.95 6.04 0.15 1.36 1.04 0.57 -4.84 113.70 117.07 1pma s SER 16 Ca 0.38 1.33 0.09 0.00 0.48 0.00 0.00 55.95 58.22 1pma s SER 16 Cb -0.23 -2.33 0.49 0.00 0.10 0.00 0.00 66.02 64.06 1pma s SER 16 CO 0.27 -0.97 1.25 -2.65 0.98 0.00 0.00 173.24 172.11 1pma n PRO 17 N -2.79 0.06 -0.42 4.02 -0.02 -1.26 0.42 135.00 135.01 1pma n PRO 17 Ca 0.06 0.53 0.11 0.00 -2.02 0.00 0.00 63.50 62.18 1pma n PRO 17 Cb 0.55 -1.74 0.32 0.00 -0.02 0.00 0.00 33.50 32.61 1pma n PRO 17 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1pma n ASP 18 N -1.80 4.10 -2.12 2.55 5.75 -1.26 -4.97 116.55 118.81 1pma n ASP 18 Ca -0.01 -2.11 -0.09 0.00 -0.01 0.00 0.00 54.79 52.57 1pma n ASP 18 Cb 0.06 -0.50 0.04 0.00 -1.03 0.00 0.00 41.12 39.70 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 1.48 0.11 3.11 6.12 0.00 0.17 -5.06 105.19 111.11 1pma n GLY 19 Ca 0.24 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 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 -5.01 0.81 -0.61 1.61 0.52 -1.25 -4.83 118.95 110.20 1pma s ARG 20 Ca 0.10 -0.68 -0.18 0.00 -0.52 0.00 0.00 55.73 54.45 1pma s ARG 20 Cb -0.04 -0.78 0.12 0.00 0.52 0.00 0.00 34.95 34.76 1pma s ARG 20 CO 0.35 0.19 0.69 -0.51 0.02 0.00 0.00 175.30 176.05 1pma s LEU 21 N -1.05 5.59 0.24 2.53 2.01 -1.26 -0.31 118.68 126.42 1pma s LEU 21 Ca -0.00 -1.59 -0.07 0.00 0.01 0.00 0.00 54.13 52.49 1pma s LEU 21 Cb -0.07 -2.29 0.25 0.00 0.01 0.00 0.00 46.19 44.09 1pma s LEU 21 CO 0.01 -1.04 1.92 -0.26 1.01 0.00 0.00 176.35 177.99 1pma h PHE 22 N 9.05 1.22 -0.34 0.29 0.04 -1.97 -2.47 116.94 122.75 1pma h PHE 22 Ca -0.26 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.61 1pma h PHE 22 Cb 1.08 -0.41 -0.06 0.00 2.20 0.00 0.00 35.95 38.76 1pma h PHE 22 CO 0.84 0.77 -0.03 1.96 -0.60 0.00 0.00 178.31 181.25 1pma h GLN 23 N 1.31 0.06 -0.10 1.51 1.08 -1.91 0.23 115.11 117.29 1pma h GLN 23 Ca 0.36 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.53 1pma h GLN 23 Cb -0.15 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.26 1pma h GLN 23 CO -0.08 0.04 -0.06 -0.24 -0.95 0.00 0.00 178.83 177.54 1pma h VAL 24 N 0.06 1.11 0.36 -0.54 3.04 -1.92 0.82 116.25 119.17 1pma h VAL 24 Ca 0.17 -0.46 -0.02 0.00 -1.01 0.00 0.00 66.70 65.38 1pma h VAL 24 Cb 0.24 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 1pma h VAL 24 CO -0.31 0.14 -0.17 -0.33 -1.01 0.00 0.00 177.57 175.89 1pma h GLU 25 N 0.15 -0.46 -0.76 4.17 4.39 -0.32 -1.56 114.58 120.19 1pma h GLU 25 Ca 0.03 0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.86 1pma h GLU 25 Cb 0.20 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 28.89 1pma h GLU 25 CO 0.01 -0.18 0.41 1.88 -1.16 0.00 0.00 179.01 179.97 1pma h TYR 26 N -0.71 0.75 -0.35 4.33 0.05 0.21 -0.55 116.97 120.69 1pma h TYR 26 Ca -0.05 0.03 0.08 0.00 0.05 0.00 0.00 58.73 58.84 1pma h TYR 26 Cb 0.49 -0.22 -0.08 0.00 1.01 0.00 0.00 36.73 37.93 1pma h TYR 26 CO 0.00 0.30 -0.28 0.00 -1.05 0.00 0.00 178.16 177.13 1pma h ALA 27 N 1.44 -0.11 -0.97 3.88 0.00 -0.61 0.46 119.26 123.35 1pma h ALA 27 Ca 0.37 0.10 0.24 0.00 0.00 0.00 0.00 54.91 55.62 1pma h ALA 27 Cb 0.35 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 1pma h ALA 27 CO -0.25 -0.68 0.64 0.00 0.00 0.00 0.00 179.25 178.96 1pma h ARG 28 N -0.23 0.35 -0.47 0.00 3.08 -0.07 0.18 114.38 117.21 1pma h ARG 28 Ca 0.17 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.23 1pma h ARG 28 Cb 0.50 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 1pma h ARG 28 CO -0.48 0.23 0.25 0.93 -1.07 0.00 0.00 179.97 179.83 1pma h GLU 29 N 0.36 0.48 -0.92 0.04 4.39 0.27 -2.03 114.58 117.17 1pma h GLU 29 Ca 0.52 -0.03 0.12 0.00 0.34 0.00 0.00 59.36 60.31 1pma h GLU 29 Cb 1.39 -0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.84 1pma h GLU 29 CO -0.20 0.32 0.55 0.00 -1.16 0.00 0.00 179.01 178.51 1pma h ALA 30 N 1.24 1.38 0.00 3.43 0.00 -0.40 -0.52 119.26 124.38 1pma h ALA 30 Ca 0.20 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1pma h ALA 30 Cb 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1pma h ALA 30 CO -0.12 0.11 -0.20 -0.39 0.00 0.00 0.00 179.25 178.65 1pma h VAL 31 N 0.85 0.52 -0.17 0.00 -1.51 -1.25 -2.74 116.25 111.95 1pma h VAL 31 Ca 0.47 -1.03 -0.11 0.00 -1.23 0.00 0.00 66.70 64.79 1pma h VAL 31 Cb 0.51 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.36 1pma h VAL 31 CO -0.28 0.20 -0.39 0.11 -1.23 0.00 0.00 177.57 175.97 1pma h LYS 32 N 0.00 0.37 -0.01 5.19 1.57 -0.74 -2.77 116.57 120.17 1pma h LYS 32 Ca -0.00 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1pma h LYS 32 Cb 0.69 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1pma h LYS 32 CO 0.03 0.71 0.00 1.63 -0.57 0.00 0.00 179.45 181.25 1pma n LYS 33 N -4.04 1.06 -2.63 3.15 5.02 -1.04 -3.13 118.16 116.57 1pma n LYS 33 Ca -0.01 -0.10 -0.22 0.00 -2.02 0.00 0.00 58.31 55.96 1pma n LYS 33 Cb 0.48 -1.29 0.06 0.00 -0.02 0.00 0.00 35.03 34.27 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 -1.56 1.80 0.90 0.72 0.00 -1.05 -4.91 107.32 103.22 1pma s GLY 34 Ca 0.28 -1.50 -0.10 0.00 0.00 0.00 0.00 44.72 43.39 1pma s GLY 34 CO 0.21 -1.11 1.13 -0.45 0.00 0.00 0.00 173.10 172.88 1pma s SER 35 N -4.55 3.13 -0.09 1.64 0.15 -1.26 -1.20 113.70 111.53 1pma s SER 35 Ca 0.61 2.05 -0.11 0.00 0.70 0.00 0.00 55.95 59.19 1pma s SER 35 Cb -0.08 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.65 1pma s SER 35 CO 0.41 -2.94 0.27 0.28 1.20 0.00 0.00 173.24 172.45 1pma s THR 36 N -2.70 5.29 0.10 6.45 -1.32 -1.26 -3.47 115.64 118.73 1pma s THR 36 Ca 0.66 0.50 -0.15 0.00 -1.21 0.00 0.00 61.69 61.48 1pma s THR 36 Cb -0.22 -3.56 0.03 0.00 -1.51 0.00 0.00 72.50 67.24 1pma s THR 36 CO 0.58 0.54 0.37 0.00 -2.21 0.00 0.00 174.62 173.91 1pma s ALA 37 N -0.64 -0.85 0.34 11.08 0.00 -0.23 -0.85 121.76 130.62 1pma s ALA 37 Ca 0.18 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.05 1pma s ALA 37 Cb -0.14 0.57 0.01 0.00 0.00 0.00 0.00 23.12 23.57 1pma s ALA 37 CO 0.07 -0.57 0.51 -0.48 0.00 0.00 0.00 175.76 175.29 1pma s LEU 38 N -2.60 0.82 0.00 0.00 2.34 0.06 0.33 118.68 119.64 1pma s LEU 38 Ca 0.01 -1.39 -0.28 0.00 0.06 0.00 0.00 54.13 52.53 1pma s LEU 38 Cb 0.02 1.67 0.08 0.00 -0.56 0.00 0.00 46.19 47.39 1pma s LEU 38 CO -0.09 -1.33 0.72 -0.83 -1.06 0.00 0.00 176.35 173.75 1pma s GLY 39 N -3.19 -0.54 -0.20 -3.48 0.00 -0.12 -1.55 107.32 98.23 1pma s GLY 39 Ca 0.28 1.13 -0.23 0.00 0.00 0.00 0.00 44.72 45.90 1pma s GLY 39 CO 0.18 0.67 0.63 -3.16 0.00 0.00 0.00 173.10 171.42 1pma s MET 40 N -2.13 0.79 0.52 2.90 0.23 -0.75 -1.48 119.30 119.38 1pma s MET 40 Ca -0.05 0.75 -0.19 0.00 -1.03 0.00 0.00 55.69 55.18 1pma s MET 40 Cb -0.00 0.38 -0.07 0.00 -1.53 0.00 0.00 34.83 33.61 1pma s MET 40 CO 0.00 -0.13 1.05 0.15 -2.03 0.00 0.00 175.02 174.07 1pma s LYS 41 N 0.04 3.62 0.00 3.16 1.02 -0.84 -1.76 119.74 124.98 1pma s LYS 41 Ca -0.02 1.34 0.00 0.00 0.02 0.00 0.00 55.97 57.30 1pma s LYS 41 Cb -0.04 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 1pma s LYS 41 CO 0.02 -0.58 0.00 1.97 -0.92 0.00 0.00 175.35 175.84 1pma n PHE 42 N -1.32 -0.01 0.00 3.18 1.16 0.43 -4.87 117.46 116.03 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 -2.57 1.98 0.00 -0.16 -3.25 120.51 113.51 1pma n ALA 43 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1pma n ALA 43 Cb 0.00 0.04 0.03 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 -0.52 2.65 0.00 0.00 4.05 -1.26 -4.99 115.26 115.19 1pma n ASN 44 Ca 0.00 -2.74 0.00 0.00 0.45 0.00 0.00 54.58 52.29 1pma n ASN 44 Cb 0.00 -0.46 0.00 0.00 1.23 0.00 0.00 39.78 40.55 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 -0.50 1.39 3.27 8.20 0.00 -1.20 -0.56 105.19 115.80 1pma n GLY 45 Ca 0.19 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.00 0.08 0.07 1.61 0.11 -0.87 -0.43 120.40 118.97 1pma s VAL 46 Ca 0.00 -0.67 0.02 0.00 -2.93 0.00 0.00 61.98 58.40 1pma s VAL 46 Cb 0.00 -1.03 -0.03 0.00 -1.53 0.00 0.00 36.38 33.78 1pma s VAL 46 CO 0.00 -0.37 -0.07 -1.48 -3.33 0.00 0.00 175.10 169.85 1pma s LEU 47 N -2.29 2.39 0.07 2.54 2.34 -0.72 -2.55 118.68 120.47 1pma s LEU 47 Ca -0.02 -0.79 0.09 0.00 0.06 0.00 0.00 54.13 53.46 1pma s LEU 47 Cb 0.00 -0.09 -0.03 0.00 -0.56 0.00 0.00 46.19 45.51 1pma s LEU 47 CO -0.06 -0.36 -0.24 -0.76 -1.06 0.00 0.00 176.35 173.88 1pma s LEU 48 N -2.35 2.22 -0.19 1.48 1.02 -0.06 -1.81 118.68 118.99 1pma s LEU 48 Ca 0.01 -0.62 -0.12 0.00 0.02 0.00 0.00 54.13 53.42 1pma s LEU 48 Cb -0.02 -1.12 0.06 0.00 0.02 0.00 0.00 46.19 45.14 1pma s LEU 48 CO -0.03 0.18 0.47 -0.51 0.02 0.00 0.00 176.35 176.49 1pma s ILE 49 N -0.92 -0.02 0.05 -0.59 1.10 -0.59 -1.28 121.20 118.95 1pma s ILE 49 Ca 0.10 0.06 0.05 0.00 -0.51 0.00 0.00 60.65 60.35 1pma s ILE 49 Cb -0.10 -0.69 -0.02 0.00 0.15 0.00 0.00 42.46 41.80 1pma s ILE 49 CO 0.03 0.02 -0.14 -0.55 -2.11 0.00 0.00 174.94 172.20 1pma s SER 50 N 1.23 1.59 -0.43 4.50 0.15 0.66 -0.76 113.70 120.64 1pma s SER 50 Ca -0.08 -0.52 -0.26 0.00 0.70 0.00 0.00 55.95 55.80 1pma s SER 50 Cb -0.07 -0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.19 1pma s SER 50 CO -0.12 -0.02 0.95 -0.62 1.20 0.00 0.00 173.24 174.63 1pma s ASP 51 N -1.37 6.58 -0.80 5.45 2.15 -0.03 -0.28 116.67 128.37 1pma s ASP 51 Ca -0.01 0.32 -0.19 0.00 0.43 0.00 0.00 52.55 53.11 1pma s ASP 51 Cb -0.09 -2.47 0.13 0.00 -0.30 0.00 0.00 42.92 40.19 1pma s ASP 51 CO 0.02 -1.01 0.95 -0.75 -0.17 0.00 0.00 175.17 174.21 1pma s LYS 52 N 3.74 3.40 -0.40 4.34 2.20 -1.15 -4.63 119.74 127.24 1pma s LYS 52 Ca 0.39 -1.62 -0.19 0.00 -0.36 0.00 0.00 55.97 54.19 1pma s LYS 52 Cb -0.10 -4.59 0.01 0.00 -1.51 0.00 0.00 37.83 31.64 1pma s LYS 52 CO 0.24 -1.66 0.54 0.15 -0.36 0.00 0.00 175.35 174.26 1pma s LYS 53 N 2.54 3.35 0.09 4.03 1.02 -1.26 -3.89 119.74 125.62 1pma s LYS 53 Ca 0.24 -0.40 0.02 0.00 0.02 0.00 0.00 55.97 55.85 1pma s LYS 53 Cb -0.12 -3.90 -0.04 0.00 -0.52 0.00 0.00 37.83 33.25 1pma s LYS 53 CO -0.03 -0.83 0.18 0.54 -0.92 0.00 0.00 175.35 174.28 1pma s VAL 54 N 2.48 5.05 0.00 3.17 0.11 -1.26 -5.09 120.40 124.86 1pma s VAL 54 Ca 0.18 -0.60 0.00 0.00 -2.93 0.00 0.00 61.98 58.63 1pma s VAL 54 Cb -0.15 -3.49 0.00 0.00 -1.53 0.00 0.00 36.38 31.21 1pma s VAL 54 CO 0.15 0.08 0.00 -1.14 -3.33 0.00 0.00 175.10 170.87 1pma n ARG 55 N 0.17 0.00 -1.22 1.54 3.00 -1.26 -5.08 116.66 113.81 1pma n ARG 55 Ca -0.07 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.46 1pma n ARG 55 Cb 0.52 0.00 0.11 0.00 0.00 0.00 0.00 32.46 33.08 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 -0.42 4.11 0.45 6.15 0.15 -1.26 -4.92 113.70 117.94 1pma s SER 56 Ca 0.00 2.06 0.24 0.00 0.70 0.00 0.00 55.95 58.95 1pma s SER 56 Cb 0.00 -2.55 0.50 0.00 -1.71 0.00 0.00 66.02 62.26 1pma s SER 56 CO 0.00 -2.31 1.66 0.03 1.20 0.00 0.00 173.24 173.82 1pma h ARG 57 N -0.98 0.00 0.00 5.44 3.08 -2.07 -3.21 114.38 116.64 1pma h ARG 57 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1pma h ARG 57 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1pma h ARG 57 CO 0.49 0.04 0.00 1.28 -1.07 0.00 0.00 179.97 180.71 1pma n LEU 58 N -3.12 0.00 -4.82 3.04 4.32 -1.26 -4.80 117.00 110.36 1pma n LEU 58 Ca 0.03 0.20 -0.35 0.00 -0.02 0.00 0.00 56.01 55.87 1pma n LEU 58 Cb 0.51 -0.20 -0.06 0.00 -1.62 0.00 0.00 43.42 42.05 1pma n LEU 58 CO 0.33 -0.06 0.43 -0.63 -1.22 0.00 0.00 177.39 176.24 1pma s ILE 59 N -2.40 4.58 -0.18 -0.08 -1.09 -1.21 -4.95 121.20 115.87 1pma s ILE 59 Ca 0.25 1.22 -0.06 0.00 -2.23 0.00 0.00 60.65 59.83 1pma s ILE 59 Cb 0.15 -3.80 -0.24 0.00 -1.58 0.00 0.00 42.46 36.98 1pma s ILE 59 CO 0.31 0.11 3.49 -0.62 -1.23 0.00 0.00 174.94 177.00 1pma n GLU 60 N 0.46 2.14 0.00 2.79 -0.58 -1.26 -4.95 120.64 119.24 1pma n GLU 60 Ca -0.01 -1.11 0.00 0.00 -0.42 0.00 0.00 57.16 55.62 1pma n GLU 60 Cb 0.52 -2.08 0.00 0.00 -0.57 0.00 0.00 31.44 29.31 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 2.64 0.00 -0.24 3.49 -0.00 -1.26 -1.77 117.38 120.24 1pma n GLN 61 Ca 0.46 0.00 0.23 0.00 -0.00 0.00 0.00 57.00 57.69 1pma n GLN 61 Cb 0.82 0.00 0.43 0.00 -0.00 0.00 0.00 30.24 31.49 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 1.12 0.25 0.02 2.61 2.85 -1.26 -1.35 115.26 119.49 1pma n ASN 62 Ca 0.00 1.24 0.21 0.00 -0.11 0.00 0.00 54.58 55.92 1pma n ASN 62 Cb 0.00 -0.60 0.57 0.00 1.24 0.00 0.00 39.78 40.99 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 -1.16 1.20 0.02 -1.77 -1.66 113.55 110.18 1pma h SER 63 Ca 0.63 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 60.83 1pma h SER 63 Cb 1.65 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 64.06 1pma h SER 63 CO -0.58 0.00 2.41 0.00 -1.14 0.00 0.00 176.83 177.52 1pma n ILE 64 N -3.33 5.26 -2.39 3.27 3.06 -0.46 -4.95 119.36 119.82 1pma n ILE 64 Ca 0.12 -4.34 -0.42 0.00 -2.50 0.00 0.00 62.75 55.61 1pma n ILE 64 Cb 0.99 -2.07 -0.03 0.00 0.54 0.00 0.00 39.64 39.07 1pma n ILE 64 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1pma s GLU 65 N -1.18 4.40 -0.21 9.51 0.41 -0.63 -4.92 118.70 126.08 1pma s GLU 65 Ca 0.54 1.80 0.05 0.00 -0.41 0.00 0.00 54.97 56.95 1pma s GLU 65 Cb 0.18 -3.38 -0.21 0.00 -1.78 0.00 0.00 34.13 28.95 1pma s GLU 65 CO -0.10 -0.32 0.00 1.63 -0.49 0.00 0.00 175.26 175.99 1pma n LYS 66 N 4.18 0.68 -2.92 1.61 5.02 -1.26 -4.85 118.16 120.62 1pma n LYS 66 Ca 0.10 0.14 -0.41 0.00 -2.02 0.00 0.00 58.31 56.12 1pma n LYS 66 Cb 0.46 -1.57 -0.04 0.00 -0.02 0.00 0.00 35.03 33.86 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 -2.52 4.95 -0.02 -0.18 1.01 -1.26 -3.94 121.20 119.24 1pma s ILE 67 Ca -0.25 1.64 0.06 0.00 0.00 0.00 0.00 60.65 62.10 1pma s ILE 67 Cb 0.08 -4.14 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 1pma s ILE 67 CO 0.70 0.14 -0.19 -1.10 0.00 0.00 0.00 174.94 174.50 1pma s GLN 68 N 1.37 1.56 0.10 2.79 -0.21 0.10 -4.97 119.66 120.40 1pma s GLN 68 Ca 0.41 -0.67 -0.27 0.00 0.02 0.00 0.00 55.36 54.85 1pma s GLN 68 Cb -0.18 -1.49 -0.06 0.00 1.00 0.00 0.00 33.01 32.28 1pma s GLN 68 CO 0.18 0.39 0.85 -0.51 -2.12 0.00 0.00 175.29 174.08 1pma s LEU 69 N -0.39 4.51 -0.14 2.90 1.43 -1.26 -0.93 118.68 124.79 1pma s LEU 69 Ca 0.06 1.64 0.19 0.00 -1.03 0.00 0.00 54.13 54.99 1pma s LEU 69 Cb -0.08 -3.39 -0.27 0.00 0.03 0.00 0.00 46.19 42.48 1pma s LEU 69 CO -0.00 0.03 0.22 -0.38 0.23 0.00 0.00 176.35 176.45 1pma n ILE 70 N 2.49 1.01 -3.62 -0.59 5.41 -0.02 -4.95 119.36 119.08 1pma n ILE 70 Ca -0.01 -0.75 -0.03 0.00 1.00 0.00 0.00 62.75 62.95 1pma n ILE 70 Cb 0.49 -0.35 -0.02 0.00 -0.71 0.00 0.00 39.64 39.05 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 -5.25 -0.07 0.60 4.38 2.15 -1.06 -4.77 116.67 112.65 1pma s ASP 71 Ca -0.09 -0.00 0.18 0.00 0.43 0.00 0.00 52.55 53.06 1pma s ASP 71 Cb 0.08 0.07 0.96 0.00 -0.30 0.00 0.00 42.92 43.74 1pma s ASP 71 CO 0.85 -0.12 1.51 0.44 -0.17 0.00 0.00 175.17 177.69 1pma h ASP 72 N 2.00 0.00 -0.04 -0.34 3.32 -2.00 -1.84 116.42 117.53 1pma h ASP 72 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1pma h ASP 72 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1pma h ASP 72 CO 0.21 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.51 1pma n TYR 73 N -2.60 0.04 -3.70 4.55 4.02 -1.26 -1.16 117.16 117.06 1pma n TYR 73 Ca -0.01 -0.07 -0.13 0.00 -0.01 0.00 0.00 57.90 57.68 1pma n TYR 73 Cb 0.56 -0.01 -0.13 0.00 -0.02 0.00 0.00 39.34 39.75 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 -0.66 -0.20 0.46 -0.72 0.11 -0.69 -2.43 120.40 116.26 1pma s VAL 74 Ca 0.09 0.20 0.04 0.00 -2.93 0.00 0.00 61.98 59.39 1pma s VAL 74 Cb 0.06 -0.42 -0.05 0.00 -1.53 0.00 0.00 36.38 34.44 1pma s VAL 74 CO 0.09 0.08 0.02 0.00 -3.33 0.00 0.00 175.10 171.97 1pma s ALA 75 N 1.76 3.64 -0.00 1.54 0.00 0.26 -0.84 121.76 128.12 1pma s ALA 75 Ca -0.05 -1.42 -0.17 0.00 0.00 0.00 0.00 51.96 50.32 1pma s ALA 75 Cb -0.11 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.10 1pma s ALA 75 CO -0.09 -0.09 0.37 0.00 0.00 0.00 0.00 175.76 175.95 1pma s ALA 76 N -2.78 -0.92 0.02 0.00 0.00 -0.10 -1.53 121.76 116.44 1pma s ALA 76 Ca 0.22 0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.62 1pma s ALA 76 Cb 0.06 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 1pma s ALA 76 CO 0.12 -0.32 -0.12 0.54 0.00 0.00 0.00 175.76 175.98 1pma s VAL 77 N -1.65 0.92 0.31 0.00 0.11 -0.76 0.01 120.40 119.33 1pma s VAL 77 Ca -0.11 -0.73 0.05 0.00 -2.93 0.00 0.00 61.98 58.26 1pma s VAL 77 Cb -0.03 -0.82 -0.06 0.00 -1.53 0.00 0.00 36.38 33.94 1pma s VAL 77 CO 0.03 0.09 -0.00 0.28 -3.33 0.00 0.00 175.10 172.16 1pma s THR 78 N -0.59 1.45 -0.23 5.04 -1.32 -1.25 -1.54 115.64 117.19 1pma s THR 78 Ca 0.02 -2.06 -0.19 0.00 -1.21 0.00 0.00 61.69 58.25 1pma s THR 78 Cb -0.06 -2.63 0.06 0.00 -1.51 0.00 0.00 72.50 68.36 1pma s THR 78 CO 0.00 -0.16 0.60 -0.55 -2.21 0.00 0.00 174.62 172.31 1pma s SER 79 N -3.47 -0.68 0.00 8.08 0.15 -0.59 -4.87 113.70 112.31 1pma s SER 79 Ca 0.33 1.25 0.00 0.00 0.70 0.00 0.00 55.95 58.22 1pma s SER 79 Cb 0.06 1.22 0.00 0.00 -1.71 0.00 0.00 66.02 65.60 1pma s SER 79 CO 0.14 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1pma n GLY 80 N 3.20 0.57 3.60 9.45 0.00 -1.26 -0.88 105.19 119.87 1pma n GLY 80 Ca -0.16 -1.96 -0.44 0.00 0.00 0.00 0.00 46.02 43.46 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 3.33 -0.28 0.99 7.99 0.61 -4.87 117.00 124.78 1pma n LEU 81 Ca 0.00 0.42 0.07 0.00 -0.01 0.00 0.00 56.01 56.49 1pma n LEU 81 Cb 0.00 -1.50 0.21 0.00 -0.11 0.00 0.00 43.42 42.02 1pma n LEU 81 CO 0.00 -0.47 1.06 1.62 -1.51 0.00 0.00 177.39 178.09 1pma h VAL 82 N 6.72 0.69 0.47 4.08 3.04 -1.95 -1.50 116.25 127.80 1pma h VAL 82 Ca -0.42 -0.18 -0.02 0.00 -1.01 0.00 0.00 66.70 65.06 1pma h VAL 82 Cb 1.25 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1pma h VAL 82 CO 0.96 0.10 -0.23 0.00 -1.01 0.00 0.00 177.57 177.39 1pma h ALA 83 N 1.56 -0.64 -0.71 3.17 0.00 -1.99 -2.33 119.26 118.32 1pma h ALA 83 Ca 0.45 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 55.35 1pma h ALA 83 Cb 0.66 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.58 1pma h ALA 83 CO -0.39 -0.81 0.11 -0.44 0.00 0.00 0.00 179.25 177.72 1pma h ASP 84 N -0.73 -0.12 0.09 0.00 5.19 -1.86 -1.19 116.42 117.81 1pma h ASP 84 Ca -0.07 0.16 0.02 0.00 -0.62 0.00 0.00 57.03 56.52 1pma h ASP 84 Cb 0.53 0.24 -0.04 0.00 0.18 0.00 0.00 39.33 40.24 1pma h ASP 84 CO 0.11 -0.08 -0.34 0.00 -3.12 0.00 0.00 179.24 175.80 1pma h ALA 85 N 1.62 -0.57 0.09 3.45 0.00 -1.13 -1.71 119.26 121.00 1pma h ALA 85 Ca 0.40 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.28 1pma h ALA 85 Cb 0.68 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 1pma h ALA 85 CO -0.54 -0.89 -0.48 -0.09 0.00 0.00 0.00 179.25 177.25 1pma h ARG 86 N -0.55 -0.67 -0.89 0.00 2.43 -0.67 0.50 114.38 114.52 1pma h ARG 86 Ca 0.04 0.05 0.13 0.00 -0.81 0.00 0.00 59.98 59.38 1pma h ARG 86 Cb 0.60 0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.23 1pma h ARG 86 CO -0.22 -0.45 0.57 -0.24 -1.51 0.00 0.00 179.97 178.13 1pma h VAL 87 N -0.69 0.88 -0.43 0.20 3.04 -1.34 -0.31 116.25 117.60 1pma h VAL 87 Ca 0.01 -0.26 -0.05 0.00 -1.01 0.00 0.00 66.70 65.39 1pma h VAL 87 Cb 0.72 0.05 -0.02 0.00 -2.01 0.00 0.00 31.29 30.03 1pma h VAL 87 CO -0.29 0.14 0.07 0.25 -1.01 0.00 0.00 177.57 176.73 1pma h LEU 88 N 0.77 0.68 0.18 3.16 5.85 -0.33 -2.49 115.31 123.13 1pma h LEU 88 Ca 0.44 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1pma h LEU 88 Cb 0.61 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1pma h LEU 88 CO -0.20 0.77 -0.18 0.58 -0.34 0.00 0.00 178.44 179.07 1pma h VAL 89 N 0.57 0.61 -0.85 1.05 2.07 0.75 -0.53 116.25 119.92 1pma h VAL 89 Ca 0.13 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.77 1pma h VAL 89 Cb 0.37 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 1pma h VAL 89 CO 0.01 0.00 0.55 0.44 0.02 0.00 0.00 177.57 178.59 1pma h ASP 90 N -0.39 0.67 0.15 0.57 3.32 -1.25 0.20 116.42 119.68 1pma h ASP 90 Ca 0.00 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1pma h ASP 90 Cb 0.37 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1pma h ASP 90 CO -0.04 0.37 -0.10 0.15 -1.72 0.00 0.00 179.24 177.90 1pma h PHE 91 N 0.73 -0.25 -0.75 4.55 3.04 -0.90 0.10 116.94 123.46 1pma h PHE 91 Ca 0.41 -0.00 0.15 0.00 3.98 0.00 0.00 57.97 62.51 1pma h PHE 91 Cb 0.57 0.09 -0.10 0.00 2.56 0.00 0.00 35.95 39.07 1pma h PHE 91 CO -0.00 -0.15 0.27 0.00 -2.02 0.00 0.00 178.31 176.41 1pma h ALA 92 N 0.61 1.04 0.53 2.41 0.00 0.89 -0.25 119.26 124.49 1pma h ALA 92 Ca -0.01 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1pma h ALA 92 Cb 0.21 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1pma h ALA 92 CO 0.01 -0.25 -0.25 0.00 0.00 0.00 0.00 179.25 178.75 1pma h ARG 93 N 0.39 -0.68 -0.74 0.00 3.08 -0.06 0.39 114.38 116.76 1pma h ARG 93 Ca 0.42 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.50 1pma h ARG 93 Cb 0.66 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.83 1pma h ARG 93 CO -0.43 -0.43 0.38 -0.84 -1.07 0.00 0.00 179.97 177.58 1pma h ILE 94 N -0.76 1.22 -0.45 2.04 3.07 -0.66 -2.21 117.51 119.76 1pma h ILE 94 Ca -0.07 -0.59 0.01 0.00 1.55 0.00 0.00 64.86 65.76 1pma h ILE 94 Cb 0.57 0.25 -0.03 0.00 -0.27 0.00 0.00 36.82 37.34 1pma h ILE 94 CO 0.12 0.26 0.29 -1.28 -1.05 0.00 0.00 178.15 176.48 1pma h SER 95 N 1.04 0.48 -0.82 2.16 0.87 -0.84 0.98 113.55 117.41 1pma h SER 95 Ca 0.26 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.84 1pma h SER 95 Cb 0.06 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 61.85 1pma h SER 95 CO -0.04 0.35 0.53 0.00 -0.53 0.00 0.00 176.83 177.14 1pma h ALA 96 N 1.18 1.08 -0.57 6.23 0.00 -0.38 -1.59 119.26 125.22 1pma h ALA 96 Ca 0.17 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1pma h ALA 96 Cb -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1pma h ALA 96 CO -0.05 0.36 0.10 1.96 0.00 0.00 0.00 179.25 181.62 1pma h GLN 97 N 1.03 0.94 -0.07 0.00 1.08 -0.83 -2.54 115.11 114.73 1pma h GLN 97 Ca 0.33 -0.25 0.04 0.00 -1.45 0.00 0.00 58.65 57.32 1pma h GLN 97 Cb 0.00 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.27 1pma h GLN 97 CO -0.11 0.89 -0.26 1.96 -0.95 0.00 0.00 178.83 180.36 1pma h GLN 98 N 0.84 -0.35 -0.43 1.46 4.20 0.11 -0.17 115.11 120.77 1pma h GLN 98 Ca 0.17 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.96 1pma h GLN 98 Cb 0.40 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.21 1pma h GLN 98 CO 0.01 -0.23 0.14 1.49 -0.67 0.00 0.00 178.83 179.57 1pma h GLU 99 N -0.36 0.30 -0.74 1.46 4.81 -1.25 -2.44 114.58 116.36 1pma h GLU 99 Ca 0.08 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.38 1pma h GLU 99 Cb 0.48 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.73 1pma h GLU 99 CO -0.28 0.20 0.40 0.87 -0.73 0.00 0.00 179.01 179.47 1pma h LYS 100 N 0.30 0.68 0.00 1.92 1.57 -0.93 0.19 116.57 120.30 1pma h LYS 100 Ca 0.20 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1pma h LYS 100 Cb 0.20 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1pma h LYS 100 CO -0.21 0.45 -0.09 -0.24 -0.57 0.00 0.00 179.45 178.79 1pma h VAL 101 N 0.70 0.18 0.02 0.50 3.04 -0.60 0.24 116.25 120.33 1pma h VAL 101 Ca 0.35 -0.91 -0.34 0.00 -1.01 0.00 0.00 66.70 64.79 1pma h VAL 101 Cb 0.30 1.77 -0.05 0.00 -2.01 0.00 0.00 31.29 31.31 1pma h VAL 101 CO -0.23 0.08 -1.92 1.07 -1.01 0.00 0.00 177.57 175.57 1pma n THR 102 N -3.17 1.57 0.55 3.17 5.66 -0.79 -4.46 114.28 116.81 1pma n THR 102 Ca 0.02 -0.30 0.12 0.00 -3.05 0.00 0.00 64.05 60.83 1pma n THR 102 Cb 0.43 -1.88 0.10 0.00 -1.55 0.00 0.00 70.33 67.43 1pma n THR 102 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1pma n TYR 103 N -4.10 0.45 0.00 1.09 4.01 0.59 -4.95 117.16 114.25 1pma n TYR 103 Ca -0.41 0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.46 1pma n TYR 103 Cb 0.84 -0.58 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 1pma n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pma n GLY 104 N 1.34 2.02 3.64 2.72 0.00 0.84 -4.96 105.19 110.80 1pma n GLY 104 Ca 0.02 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 -3.00 -0.35 -0.93 1.61 0.15 -1.22 -4.91 113.70 105.05 1pma s SER 105 Ca 0.00 0.62 -0.24 0.00 0.70 0.00 0.00 55.95 57.03 1pma s SER 105 Cb 0.00 0.86 0.04 0.00 -1.71 0.00 0.00 66.02 65.21 1pma s SER 105 CO 0.00 -0.10 1.41 -0.22 1.20 0.00 0.00 173.24 175.53 1pma s LEU 106 N 0.64 3.39 -0.02 3.45 2.96 -1.26 -4.71 118.68 123.14 1pma s LEU 106 Ca -0.01 -1.13 -0.24 0.00 -0.22 0.00 0.00 54.13 52.53 1pma s LEU 106 Cb -0.04 -2.57 -0.19 0.00 0.50 0.00 0.00 46.19 43.89 1pma s LEU 106 CO -0.11 -1.63 1.21 1.62 -1.32 0.00 0.00 176.35 176.11 1pma h VAL 107 N 6.58 1.43 -3.65 1.68 3.04 -1.98 -3.43 116.25 119.93 1pma h VAL 107 Ca 0.05 -1.45 -0.62 0.00 -1.01 0.00 0.00 66.70 63.67 1pma h VAL 107 Cb 1.02 2.28 -0.38 0.00 -2.01 0.00 0.00 31.29 32.21 1pma h VAL 107 CO 1.38 0.40 -0.79 0.21 -1.01 0.00 0.00 177.57 177.76 1pma s ASN 108 N -6.01 3.88 0.49 3.17 3.84 -1.26 -1.57 114.94 117.48 1pma s ASN 108 Ca -0.15 -1.17 0.15 0.00 0.21 0.00 0.00 52.86 51.89 1pma s ASN 108 Cb 0.02 -1.25 1.17 0.00 -0.55 0.00 0.00 41.25 40.65 1pma s ASN 108 CO 0.72 -0.22 2.10 -0.29 -2.79 0.00 0.00 177.10 176.62 1pma h ILE 109 N 6.65 0.99 -0.96 -5.21 2.10 -1.96 -1.26 117.51 117.86 1pma h ILE 109 Ca -0.19 -0.05 0.20 0.00 1.08 0.00 0.00 64.86 65.89 1pma h ILE 109 Cb 1.07 0.82 -0.08 0.00 -1.09 0.00 0.00 36.82 37.54 1pma h ILE 109 CO 0.43 0.03 0.61 -0.08 -1.08 0.00 0.00 178.15 178.06 1pma h GLU 110 N 0.15 0.56 -0.29 2.19 4.81 -2.00 0.11 114.58 120.11 1pma h GLU 110 Ca 0.08 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1pma h GLU 110 Cb 0.12 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1pma h GLU 110 CO -0.01 0.37 0.12 -0.97 -0.73 0.00 0.00 179.01 177.78 1pma h ASN 111 N 0.58 0.40 -0.28 1.04 -0.73 -1.66 -0.69 115.58 114.24 1pma h ASN 111 Ca 0.52 -0.17 0.06 0.00 1.87 0.00 0.00 56.30 58.59 1pma h ASN 111 Cb 1.05 -0.10 -0.08 0.00 0.27 0.00 0.00 38.32 39.46 1pma h ASN 111 CO -0.26 0.46 -0.35 0.25 -0.37 0.00 0.00 177.43 177.16 1pma h LEU 112 N 0.32 -1.13 -1.45 0.34 5.85 -0.88 0.34 115.31 118.70 1pma h LEU 112 Ca 0.10 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 1pma h LEU 112 Cb 0.18 0.50 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1pma h LEU 112 CO -0.01 -0.35 0.14 1.62 -0.34 0.00 0.00 178.44 179.50 1pma h VAL 113 N -0.34 1.14 -0.88 1.05 3.04 -1.33 -1.23 116.25 117.71 1pma h VAL 113 Ca 0.13 -0.45 0.04 0.00 -1.01 0.00 0.00 66.70 65.41 1pma h VAL 113 Cb 0.56 0.71 -0.05 0.00 -2.01 0.00 0.00 31.29 30.50 1pma h VAL 113 CO -0.47 0.17 0.58 0.11 -1.01 0.00 0.00 177.57 176.96 1pma h LYS 114 N 0.51 1.06 -0.26 4.17 1.57 0.12 -0.74 116.57 123.01 1pma h LYS 114 Ca 0.13 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.68 1pma h LYS 114 Cb 0.11 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1pma h LYS 114 CO -0.01 0.70 -0.47 -0.09 -0.57 0.00 0.00 179.45 179.01 1pma h ARG 115 N 1.09 0.77 -0.59 3.15 2.43 0.04 -1.52 114.38 119.76 1pma h ARG 115 Ca 0.35 -0.49 -0.10 0.00 -0.81 0.00 0.00 59.98 58.93 1pma h ARG 115 Cb 0.03 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1pma h ARG 115 CO -0.10 1.12 -0.02 -0.24 -1.51 0.00 0.00 179.97 179.21 1pma h VAL 116 N 0.52 1.27 -0.65 0.20 3.04 -1.11 -2.04 116.25 117.48 1pma h VAL 116 Ca 0.01 -1.18 -0.02 0.00 -1.01 0.00 0.00 66.70 64.51 1pma h VAL 116 Cb 1.08 0.84 -0.03 0.00 -2.01 0.00 0.00 31.29 31.17 1pma h VAL 116 CO 0.11 0.43 0.35 0.00 -1.01 0.00 0.00 177.57 177.44 1pma h ALA 117 N 0.97 0.84 -0.30 3.17 0.00 -1.09 0.64 119.26 123.49 1pma h ALA 117 Ca 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1pma h ALA 117 Cb 0.59 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1pma h ALA 117 CO 0.03 0.36 0.08 -0.44 0.00 0.00 0.00 179.25 179.29 1pma h ASP 118 N 0.89 0.38 0.28 0.00 5.19 -1.12 0.13 116.42 122.18 1pma h ASP 118 Ca 0.23 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1pma h ASP 118 Cb 0.06 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.45 1pma h ASP 118 CO -0.03 0.38 -0.31 -0.61 -3.12 0.00 0.00 179.24 175.55 1pma h GLN 119 N 0.42 -0.61 -0.50 3.56 -0.00 -0.15 -2.16 115.11 115.67 1pma h GLN 119 Ca 0.10 0.04 0.01 0.00 -0.00 0.00 0.00 58.65 58.81 1pma h GLN 119 Cb 0.15 0.14 -0.03 0.00 0.00 0.00 0.00 27.48 27.74 1pma h GLN 119 CO -0.01 -0.41 0.31 0.52 0.00 0.00 0.00 178.83 179.25 1pma h MET 120 N -0.63 0.61 -0.98 1.69 2.86 -0.57 -2.39 114.93 115.52 1pma h MET 120 Ca -0.01 -0.04 0.21 0.00 -2.06 0.00 0.00 59.70 57.81 1pma h MET 120 Cb 0.59 -0.14 -0.09 0.00 0.06 0.00 0.00 31.60 32.02 1pma h MET 120 CO -0.08 0.40 0.62 0.37 1.06 0.00 0.00 176.91 179.29 1pma h GLN 121 N 0.63 0.53 -0.92 1.72 -0.00 -0.42 -0.66 115.11 115.99 1pma h GLN 121 Ca 0.19 -0.03 0.05 0.00 -0.00 0.00 0.00 58.65 58.86 1pma h GLN 121 Cb -0.03 -0.12 -0.06 0.00 0.00 0.00 0.00 27.48 27.28 1pma h GLN 121 CO -0.07 0.35 0.60 1.96 0.00 0.00 0.00 178.83 181.68 1pma h GLN 122 N 0.55 1.06 0.00 1.69 4.20 -0.85 0.40 115.11 122.16 1pma h GLN 122 Ca 0.54 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.19 1pma h GLN 122 Cb 1.14 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.68 1pma h GLN 122 CO -0.29 0.70 0.00 0.66 -0.67 0.00 0.00 178.83 179.23 1pma n TYR 123 N -4.47 0.00 0.42 2.96 4.02 -0.26 -1.51 117.16 118.31 1pma n TYR 123 Ca 0.13 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.15 1pma n TYR 123 Cb 0.16 -0.43 0.29 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 0.00 0.00 -0.72 2.02 -0.82 -3.40 112.91 109.99 1pma h THR 124 Ca 0.00 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.44 1pma h THR 124 Cb 0.31 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1pma h THR 124 CO 0.00 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 175.74 1pma n GLN 125 N -2.69 4.16 -0.90 6.66 10.64 -0.94 -4.89 117.38 129.42 1pma n GLN 125 Ca 0.05 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 55.00 1pma n GLN 125 Cb 0.48 -0.49 -0.06 0.00 -0.86 0.00 0.00 30.24 29.30 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 -0.26 1.11 -1.25 2.61 4.01 -0.57 -4.95 117.16 117.86 1pma n TYR 126 Ca 0.00 -1.94 0.00 0.00 -0.16 0.00 0.00 57.90 55.80 1pma n TYR 126 Cb 0.00 -1.75 0.00 0.00 -0.31 0.00 0.00 39.34 37.28 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 3.27 2.41 3.23 2.72 0.00 -1.26 -4.53 105.19 111.04 1pma n GLY 127 Ca 0.49 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 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 0.05 3.65 -0.02 0.00 -1.26 -4.68 105.19 102.92 1pma n GLY 128 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 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 5.91 0.00 0.12 1.61 0.11 -1.26 -5.15 120.40 121.73 1pma s VAL 129 Ca 0.32 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.09 1pma s VAL 129 Cb 0.03 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.81 1pma s VAL 129 CO 0.12 0.00 0.87 -0.60 -3.33 0.00 0.00 175.10 172.17 1pma s ARG 130 N 0.50 4.65 0.89 1.54 3.52 -1.26 -4.92 118.95 123.86 1pma s ARG 130 Ca 0.01 1.30 -0.11 0.00 -0.13 0.00 0.00 55.73 56.79 1pma s ARG 130 Cb -0.04 -3.34 0.12 0.00 -1.56 0.00 0.00 34.95 30.12 1pma s ARG 130 CO -0.12 0.33 1.06 -2.30 -0.81 0.00 0.00 175.30 173.47 1pma n PRO 131 N 2.42 -0.27 -2.62 5.12 -0.02 -1.26 -4.94 135.00 133.42 1pma n PRO 131 Ca -0.01 -0.01 -0.43 0.00 -2.02 0.00 0.00 63.50 61.03 1pma n PRO 131 Cb 0.49 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 1pma n PRO 131 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1pma s TYR 132 N -2.47 3.30 -1.32 6.00 1.51 -1.26 -4.93 117.35 118.18 1pma s TYR 132 Ca 0.67 1.42 -0.09 0.00 -1.01 0.00 0.00 57.07 58.06 1pma s TYR 132 Cb -0.25 -3.29 0.14 0.00 -0.11 0.00 0.00 41.96 38.45 1pma s TYR 132 CO 0.57 -0.65 2.02 0.41 -1.11 0.00 0.00 175.55 176.79 1pma n GLY 133 N 3.31 4.79 3.43 0.71 0.00 -1.26 -4.61 105.19 111.55 1pma n GLY 133 Ca 0.11 -2.02 -0.14 0.00 0.00 0.00 0.00 46.02 43.97 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 0.51 0.02 -0.02 1.61 0.11 -1.26 -0.28 120.40 121.08 1pma s VAL 134 Ca 0.43 -0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.37 1pma s VAL 134 Cb 0.12 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.98 1pma s VAL 134 CO -0.02 -0.07 -0.04 -0.44 -3.33 0.00 0.00 175.10 171.20 1pma s SER 135 N -2.12 0.73 0.06 3.54 0.01 -0.06 -2.73 113.70 113.14 1pma s SER 135 Ca -0.04 -0.10 -0.00 0.00 1.31 0.00 0.00 55.95 57.12 1pma s SER 135 Cb -0.00 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 1pma s SER 135 CO -0.04 -0.01 -0.04 -1.48 0.41 0.00 0.00 173.24 172.09 1pma s LEU 136 N 0.47 2.48 -0.05 2.44 0.05 -0.07 -1.55 118.68 122.45 1pma s LEU 136 Ca -0.06 -0.98 0.04 0.00 0.05 0.00 0.00 54.13 53.19 1pma s LEU 136 Cb -0.09 0.11 -0.00 0.00 -2.05 0.00 0.00 46.19 44.15 1pma s LEU 136 CO -0.00 -0.54 -0.18 0.27 -0.55 0.00 0.00 176.35 175.35 1pma s ILE 137 N -3.71 1.51 -0.09 1.48 -4.36 -0.59 0.60 121.20 116.03 1pma s ILE 137 Ca 0.07 -0.75 -0.03 0.00 -0.26 0.00 0.00 60.65 59.69 1pma s ILE 137 Cb 0.06 -1.30 -0.03 0.00 1.25 0.00 0.00 42.46 42.44 1pma s ILE 137 CO -0.08 0.43 0.02 -0.36 0.24 0.00 0.00 174.94 175.19 1pma s PHE 138 N 0.14 3.21 -0.03 1.37 0.40 0.27 -1.83 117.98 121.50 1pma s PHE 138 Ca -0.07 0.22 -0.11 0.00 -0.60 0.00 0.00 56.93 56.37 1pma s PHE 138 Cb -0.13 -1.82 0.02 0.00 0.51 0.00 0.00 43.02 41.60 1pma s PHE 138 CO 0.03 0.48 0.24 0.00 0.70 0.00 0.00 175.22 176.68 1pma s ALA 139 N -0.84 -0.61 0.00 5.36 0.00 -0.59 -0.78 121.76 124.31 1pma s ALA 139 Ca 0.13 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1pma s ALA 139 Cb -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.96 1pma s ALA 139 CO 0.02 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1pma n GLY 140 N 1.77 1.55 3.60 0.00 0.00 -0.84 -0.58 105.19 110.69 1pma n GLY 140 Ca -0.20 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 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 4.49 0.00 -0.61 -1.16 -1.02 -0.16 121.20 120.74 1pma s ILE 141 Ca 0.00 -0.15 0.00 0.00 -0.51 0.00 0.00 60.65 59.99 1pma s ILE 141 Cb 0.00 -2.99 0.00 0.00 0.61 0.00 0.00 42.46 40.08 1pma s ILE 141 CO 0.00 0.48 0.00 -0.90 -2.81 0.00 0.00 174.94 171.71 1pma n ASP 142 N 3.40 1.85 0.08 4.50 3.85 0.19 -4.83 116.55 125.58 1pma n ASP 142 Ca -0.17 -0.49 0.08 0.00 -0.71 0.00 0.00 54.79 53.50 1pma n ASP 142 Cb 0.52 0.00 0.53 0.00 -1.35 0.00 0.00 41.12 40.83 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 0.29 0.00 0.11 5.75 -1.55 -1.43 115.11 118.27 1pma h GLN 143 Ca 0.00 -0.02 -0.16 0.00 -0.15 0.00 0.00 58.65 58.32 1pma h GLN 143 Cb 0.00 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 1pma h GLN 143 CO 0.00 0.19 -0.77 0.82 -2.65 0.00 0.00 178.83 176.42 1pma h ILE 144 N 0.29 1.39 0.00 2.39 2.04 -1.96 -3.50 117.51 118.16 1pma h ILE 144 Ca 0.12 -2.80 0.00 0.00 1.00 0.00 0.00 64.86 63.18 1pma h ILE 144 Cb 0.13 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1pma h ILE 144 CO -0.03 0.76 0.00 0.61 0.00 0.00 0.00 178.15 179.49 1pma n GLY 145 N 1.10 0.88 3.76 5.37 0.00 -0.54 -5.07 105.19 110.69 1pma n GLY 145 Ca 0.00 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.61 4.20 0.03 1.61 0.02 -1.26 -0.64 135.00 137.34 1pma s PRO 146 Ca 0.00 2.44 0.01 0.00 0.02 0.00 0.00 61.00 63.47 1pma s PRO 146 Cb 0.00 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.45 1pma s PRO 146 CO 0.00 -0.49 -0.05 1.03 -0.33 0.00 0.00 177.00 177.17 1pma s ARG 147 N -0.91 0.37 -0.03 5.54 0.52 0.77 -4.89 118.95 120.32 1pma s ARG 147 Ca 0.58 -0.59 -0.01 0.00 -0.52 0.00 0.00 55.73 55.19 1pma s ARG 147 Cb -0.44 -0.08 0.03 0.00 0.52 0.00 0.00 34.95 34.97 1pma s ARG 147 CO 0.50 0.00 0.05 -1.17 0.02 0.00 0.00 175.30 174.70 1pma s LEU 148 N -1.31 0.74 0.06 2.53 2.96 -1.26 -1.98 118.68 120.43 1pma s LEU 148 Ca -0.11 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 1pma s LEU 148 Cb -0.09 -0.03 -0.03 0.00 0.50 0.00 0.00 46.19 46.54 1pma s LEU 148 CO -0.00 -0.17 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.44 1pma s PHE 149 N 1.43 0.68 0.22 5.38 0.40 0.04 -2.08 117.98 124.05 1pma s PHE 149 Ca -0.05 -0.78 0.07 0.00 -0.60 0.00 0.00 56.93 55.58 1pma s PHE 149 Cb -0.13 -0.42 -0.05 0.00 0.51 0.00 0.00 43.02 42.94 1pma s PHE 149 CO -0.03 -0.18 -0.12 0.16 0.70 0.00 0.00 175.22 175.74 1pma s ASP 150 N -2.40 2.61 -0.13 1.36 -4.77 -0.87 -0.57 116.67 111.91 1pma s ASP 150 Ca 0.01 -1.06 -0.07 0.00 -3.30 0.00 0.00 52.55 48.13 1pma s ASP 150 Cb -0.01 -0.14 0.05 0.00 -1.09 0.00 0.00 42.92 41.73 1pma s ASP 150 CO -0.04 -0.21 0.31 0.00 0.70 0.00 0.00 175.17 175.93 1pma s ASP 152 N 1.16 4.77 0.52 0.00 -4.77 -1.07 -0.89 116.67 116.40 1pma s ASP 152 Ca -0.08 -0.88 0.25 0.00 -3.30 0.00 0.00 52.55 48.53 1pma s ASP 152 Cb -0.09 -0.55 1.34 0.00 -1.09 0.00 0.00 42.92 42.54 1pma s ASP 152 CO -0.09 -0.59 1.72 -0.65 0.70 0.00 0.00 175.17 176.27 1pma h PRO 153 N 1.22 0.00 0.00 2.11 0.11 -1.77 0.13 132.00 133.80 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 0.63 0.00 -0.22 0.00 -0.21 0.00 0.00 178.00 178.20 1pma n ALA 154 N -1.79 2.71 -0.25 -0.75 0.00 -1.26 -4.76 120.51 114.42 1pma n ALA 154 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1pma n ALA 154 Cb 0.31 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 1.43 0.83 3.73 0.00 0.00 0.03 -4.55 105.19 106.67 1pma n GLY 155 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.09 4.23 -0.00 2.61 2.01 -1.25 -4.78 115.64 116.36 1pma s THR 156 Ca 0.00 1.93 0.02 0.00 0.31 0.00 0.00 61.69 63.95 1pma s THR 156 Cb 0.00 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 68.27 1pma s THR 156 CO 0.00 0.33 -0.08 -0.51 -0.69 0.00 0.00 174.62 173.67 1pma s ILE 157 N -0.26 0.62 0.03 1.82 2.07 -1.26 -2.59 121.20 121.63 1pma s ILE 157 Ca 0.47 -0.35 -0.15 0.00 -1.41 0.00 0.00 60.65 59.21 1pma s ILE 157 Cb -0.26 -0.52 0.02 0.00 0.13 0.00 0.00 42.46 41.83 1pma s ILE 157 CO 0.32 0.16 0.33 0.20 -1.91 0.00 0.00 174.94 174.04 1pma s ASN 158 N -0.22 -0.17 -0.16 4.50 -0.87 -1.20 -5.00 114.94 111.82 1pma s ASN 158 Ca 0.03 -0.09 -0.07 0.00 -1.57 0.00 0.00 52.86 51.16 1pma s ASN 158 Cb -0.03 0.36 -0.04 0.00 -0.02 0.00 0.00 41.25 41.52 1pma s ASN 158 CO -0.00 -0.58 0.08 -0.70 -2.57 0.00 0.00 177.10 173.33 1pma s GLU 159 N -2.24 3.81 0.41 -0.60 2.12 -1.26 -2.04 118.70 118.90 1pma s GLU 159 Ca -0.07 -0.29 0.07 0.00 0.36 0.00 0.00 54.97 55.05 1pma s GLU 159 Cb -0.02 -3.21 -0.07 0.00 0.26 0.00 0.00 34.13 31.09 1pma s GLU 159 CO -0.01 0.42 0.06 0.71 -0.54 0.00 0.00 175.26 175.89 1pma s TYR 160 N -0.03 2.54 -0.12 5.30 1.51 -0.88 -5.00 117.35 120.67 1pma s TYR 160 Ca 0.07 -0.64 0.19 0.00 -1.01 0.00 0.00 57.07 55.69 1pma s TYR 160 Cb -0.12 -1.82 -0.24 0.00 -0.11 0.00 0.00 41.96 39.67 1pma s TYR 160 CO 0.01 0.38 0.45 1.17 -1.11 0.00 0.00 175.55 176.44 1pma n LYS 161 N -1.04 0.66 -3.60 -0.62 3.00 -1.26 -4.52 118.16 110.78 1pma n LYS 161 Ca -0.04 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.31 58.20 1pma n LYS 161 Cb 0.66 -1.61 -0.03 0.00 0.00 0.00 0.00 35.03 34.05 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 -3.00 -2.03 0.00 3.14 0.00 -1.26 -1.98 121.76 116.63 1pma s ALA 162 Ca -0.07 1.63 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1pma s ALA 162 Cb 0.10 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.62 1pma s ALA 162 CO 0.85 -0.44 0.00 -2.37 0.00 0.00 0.00 175.76 173.81 1pma n THR 163 N 0.27 0.00 -3.74 0.00 5.66 -0.55 -5.00 114.28 110.92 1pma n THR 163 Ca -0.03 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.91 1pma n THR 163 Cb 0.59 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.35 1pma n THR 163 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pma n ALA 164 N -0.03 -0.22 -3.65 1.79 0.00 -1.26 -0.95 120.51 116.19 1pma n ALA 164 Ca 0.00 -0.70 -0.05 0.00 0.00 0.00 0.00 53.44 52.68 1pma n ALA 164 Cb 0.00 0.56 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.60 0.00 0.00 0.00 1.10 0.15 -4.93 121.20 114.92 1pma s ILE 165 Ca 0.12 -0.39 0.00 0.00 -0.51 0.00 0.00 60.65 59.87 1pma s ILE 165 Cb -0.01 -1.59 0.00 0.00 0.15 0.00 0.00 42.46 41.02 1pma s ILE 165 CO 0.09 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.53 1pma n GLY 166 N -0.38 -0.62 0.08 1.50 0.00 -1.26 -1.07 105.19 103.45 1pma n GLY 166 Ca -0.07 -1.93 -0.03 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.18 0.00 1.61 0.87 -1.10 -3.22 113.55 111.53 1pma h SER 167 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1pma h SER 167 Cb 0.00 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1pma h SER 167 CO 0.00 -0.12 0.00 0.61 -0.53 0.00 0.00 176.83 176.79 1pma n GLY 168 N -1.10 1.87 0.16 5.77 0.00 -1.26 -4.52 105.19 106.10 1pma n GLY 168 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 1pma n GLY 168 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1pma h LYS 169 N 0.54 -0.30 -0.96 1.61 3.64 -1.79 -1.10 116.57 118.21 1pma h LYS 169 Ca 0.00 0.02 0.27 0.00 -1.27 0.00 0.00 60.65 59.67 1pma h LYS 169 Cb 0.87 0.07 -0.18 0.00 -0.41 0.00 0.00 32.23 32.58 1pma h LYS 169 CO 0.00 -0.20 0.06 -0.44 -2.27 0.00 0.00 179.45 176.60 1pma h ASP 170 N -0.31 -0.40 0.52 4.20 3.32 -1.89 0.43 116.42 122.29 1pma h ASP 170 Ca -0.02 0.27 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 1pma h ASP 170 Cb 0.27 0.45 0.01 0.00 0.22 0.00 0.00 39.33 40.28 1pma h ASP 170 CO -0.03 -0.33 -0.25 0.00 -1.72 0.00 0.00 179.24 176.92 1pma h ALA 171 N 1.95 -0.98 -0.78 3.45 0.00 -1.84 -2.37 119.26 118.68 1pma h ALA 171 Ca 0.59 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.41 1pma h ALA 171 Cb 1.22 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 19.23 1pma h ALA 171 CO -0.88 -0.93 0.47 -0.24 0.00 0.00 0.00 179.25 177.67 1pma h VAL 172 N -0.82 1.02 -0.65 0.00 3.04 -0.12 -1.54 116.25 117.18 1pma h VAL 172 Ca -0.07 -0.30 0.04 0.00 -1.01 0.00 0.00 66.70 65.36 1pma h VAL 172 Cb 0.53 0.08 -0.04 0.00 -2.01 0.00 0.00 31.29 29.85 1pma h VAL 172 CO 0.12 0.16 0.39 1.62 -1.01 0.00 0.00 177.57 178.84 1pma h VAL 173 N 0.86 1.05 -0.17 1.51 3.04 -0.25 -2.27 116.25 120.02 1pma h VAL 173 Ca 0.34 -0.26 -0.00 0.00 -1.01 0.00 0.00 66.70 65.77 1pma h VAL 173 Cb 0.16 0.23 -0.01 0.00 -2.01 0.00 0.00 31.29 29.66 1pma h VAL 173 CO -0.17 0.14 0.10 0.28 -1.01 0.00 0.00 177.57 176.91 1pma h SER 174 N 0.75 0.20 -0.60 3.17 0.02 -0.74 0.26 113.55 116.61 1pma h SER 174 Ca 0.27 -0.05 0.12 0.00 -0.84 0.00 0.00 61.79 61.29 1pma h SER 174 Cb 0.06 -0.05 -0.09 0.00 0.14 0.00 0.00 62.40 62.46 1pma h SER 174 CO -0.12 0.19 0.06 0.15 -1.14 0.00 0.00 176.83 175.97 1pma h PHE 175 N 0.19 0.07 -0.02 3.45 3.04 -0.93 -1.20 116.94 121.54 1pma h PHE 175 Ca 0.06 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.05 1pma h PHE 175 Cb 0.03 0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.60 1pma h PHE 175 CO -0.05 -0.10 -0.00 -0.07 -2.02 0.00 0.00 178.31 176.06 1pma h LEU 176 N 0.18 0.04 -1.63 0.59 -0.00 -0.91 0.10 115.31 113.68 1pma h LEU 176 Ca 0.31 -0.34 0.38 0.00 -0.00 0.00 0.00 57.88 58.24 1pma h LEU 176 Cb 0.49 -0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 41.09 1pma h LEU 176 CO -0.46 0.37 1.15 -0.08 -0.00 0.00 0.00 178.44 179.42 1pma h GLU 177 N -0.28 0.00 0.00 1.13 4.57 0.62 0.29 114.58 120.91 1pma h GLU 177 Ca 0.01 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 1pma h GLU 177 Cb 0.35 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1pma h GLU 177 CO 0.00 0.00 -1.21 -2.13 -1.18 0.00 0.00 179.01 174.49 1pma n ARG 178 N -3.68 0.54 -0.38 1.92 0.63 -0.61 -4.72 116.66 110.35 1pma n ARG 178 Ca 0.29 0.24 0.09 0.00 -0.92 0.00 0.00 57.85 57.56 1pma n ARG 178 Cb 1.56 -1.46 0.28 0.00 0.45 0.00 0.00 32.46 33.30 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 -4.44 2.71 -1.98 -0.14 1.02 -0.01 -4.96 120.64 112.85 1pma n GLU 179 Ca -0.20 -2.30 -0.42 0.00 -0.02 0.00 0.00 57.16 54.22 1pma n GLU 179 Cb 0.56 -1.58 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 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 -1.36 2.55 -0.37 -0.32 5.04 0.97 -4.97 117.35 118.90 1pma s TYR 180 Ca 0.42 0.43 -0.12 0.00 -2.44 0.00 0.00 57.07 55.36 1pma s TYR 180 Cb 0.24 -3.91 0.01 0.00 0.35 0.00 0.00 41.96 38.65 1pma s TYR 180 CO 0.26 -3.59 0.24 0.21 -1.34 0.00 0.00 175.55 171.33 1pma s LYS 181 N 2.45 3.04 0.00 4.97 2.47 -1.26 -5.03 119.74 126.38 1pma s LYS 181 Ca 0.72 -0.95 0.00 0.00 -1.56 0.00 0.00 55.97 54.18 1pma s LYS 181 Cb -0.39 -3.80 0.00 0.00 -1.46 0.00 0.00 37.83 32.18 1pma s LYS 181 CO 0.31 -0.64 0.04 -1.91 0.16 0.00 0.00 175.35 173.31 1pma n GLU 182 N 5.07 0.00 -1.86 4.03 4.07 -1.26 -2.62 120.64 128.07 1pma n GLU 182 Ca -0.12 0.04 -0.37 0.00 -0.06 0.00 0.00 57.16 56.65 1pma n GLU 182 Cb 0.47 -0.15 0.04 0.00 -0.06 0.00 0.00 31.44 31.75 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 -0.25 7.19 -4.72 4.31 5.03 -1.26 -4.70 115.26 120.87 1pma n ASN 183 Ca 0.00 -3.81 -0.42 0.00 0.87 0.00 0.00 54.58 51.22 1pma n ASN 183 Cb 0.00 -0.96 -0.03 0.00 -1.02 0.00 0.00 39.78 37.77 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 -3.95 4.38 0.32 3.41 2.96 -1.08 -4.03 118.68 120.68 1pma s LEU 184 Ca 0.54 2.86 -0.29 0.00 -0.22 0.00 0.00 54.13 57.03 1pma s LEU 184 Cb 0.45 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 43.44 1pma s LEU 184 CO -0.29 -0.98 1.39 -2.84 -1.32 0.00 0.00 176.35 172.30 1pma s PRO 185 N 1.42 4.27 0.07 0.98 0.02 -1.26 -0.99 135.00 139.51 1pma s PRO 185 Ca 0.76 2.34 -0.14 0.00 0.02 0.00 0.00 61.00 63.98 1pma s PRO 185 Cb -0.49 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 30.94 1pma s PRO 185 CO 0.33 -0.34 0.74 -1.91 -0.33 0.00 0.00 177.00 175.48 1pma n GLU 186 N 1.12 -0.19 -0.25 5.54 2.13 -1.26 -0.58 120.64 127.14 1pma n GLU 186 Ca 0.02 0.73 0.06 0.00 0.66 0.00 0.00 57.16 58.63 1pma n GLU 186 Cb 0.41 -1.07 0.19 0.00 0.27 0.00 0.00 31.44 31.23 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 0.21 0.00 5.31 3.64 -2.00 0.21 116.57 123.95 1pma h LYS 187 Ca 0.07 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.26 1pma h LYS 187 Cb 0.18 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1pma h LYS 187 CO -0.42 0.14 -0.85 0.93 -2.27 0.00 0.00 179.45 176.99 1pma h GLU 188 N 0.22 0.00 0.26 1.90 5.08 -1.20 -3.00 114.58 117.84 1pma h GLU 188 Ca 0.43 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 1pma h GLU 188 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1pma h GLU 188 CO -0.56 0.85 -0.13 0.00 -1.00 0.00 0.00 179.01 178.17 1pma h ALA 189 N 1.15 -0.35 -0.41 3.43 0.00 0.11 0.50 119.26 123.70 1pma h ALA 189 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1pma h ALA 189 Cb 1.58 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1pma h ALA 189 CO 0.11 -0.66 0.26 -0.24 0.00 0.00 0.00 179.25 178.73 1pma h VAL 190 N -0.43 1.11 0.70 0.00 3.04 -0.88 -0.28 116.25 119.52 1pma h VAL 190 Ca -0.04 -0.21 -0.03 0.00 -1.01 0.00 0.00 66.70 65.41 1pma h VAL 190 Cb 0.32 0.51 0.01 0.00 -2.01 0.00 0.00 31.29 30.12 1pma h VAL 190 CO 0.06 0.11 -0.34 0.74 -1.01 0.00 0.00 177.57 177.13 1pma h THR 191 N 0.56 0.00 -1.10 3.17 2.02 -1.31 0.69 112.91 116.93 1pma h THR 191 Ca 0.15 -0.16 0.31 0.00 0.77 0.00 0.00 66.41 67.47 1pma h THR 191 Cb -0.05 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.25 1pma h THR 191 CO -0.03 0.00 0.70 0.25 0.37 0.00 0.00 175.52 176.81 1pma h LEU 192 N -1.11 0.41 0.17 2.58 5.85 -0.46 0.44 115.31 123.18 1pma h LEU 192 Ca -0.10 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1pma h LEU 192 Cb 0.73 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1pma h LEU 192 CO 0.16 0.02 -0.08 1.23 -0.34 0.00 0.00 178.44 179.42 1pma h GLY 193 N 0.32 -0.23 1.77 3.75 0.00 -0.82 -1.57 103.07 106.29 1pma h GLY 193 Ca 0.65 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 48.06 1pma h GLY 193 CO -0.34 -0.08 0.09 1.19 0.00 0.00 0.00 176.54 177.39 1pma h ILE 194 N -0.77 1.09 0.11 2.60 2.10 0.60 0.36 117.51 123.60 1pma h ILE 194 Ca -0.02 -0.28 -0.01 0.00 1.08 0.00 0.00 64.86 65.63 1pma h ILE 194 Cb 0.52 0.83 0.00 0.00 -1.09 0.00 0.00 36.82 37.09 1pma h ILE 194 CO 0.04 0.11 -0.05 0.50 -1.08 0.00 0.00 178.15 177.66 1pma h LYS 195 N 0.30 -0.14 -0.96 2.19 3.64 -1.03 0.18 116.57 120.75 1pma h LYS 195 Ca 0.08 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.56 1pma h LYS 195 Cb 0.07 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.84 1pma h LYS 195 CO -0.01 0.19 0.60 0.00 -2.27 0.00 0.00 179.45 177.96 1pma h ALA 196 N 0.35 1.37 -0.16 5.00 0.00 -0.24 -0.46 119.26 125.13 1pma h ALA 196 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1pma h ALA 196 Cb 0.40 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1pma h ALA 196 CO 0.02 0.29 0.03 1.25 0.00 0.00 0.00 179.25 180.84 1pma h LEU 197 N 1.02 0.25 0.00 0.00 5.85 -0.15 -3.06 115.31 119.22 1pma h LEU 197 Ca 0.44 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1pma h LEU 197 Cb 0.32 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1pma h LEU 197 CO -0.22 0.43 0.00 1.17 -0.34 0.00 0.00 178.44 179.48 1pma n LYS 198 N -4.80 0.00 -0.18 1.25 4.81 0.62 -2.85 118.16 117.01 1pma n LYS 198 Ca -0.05 0.40 -0.04 0.00 -0.87 0.00 0.00 58.31 57.75 1pma n LYS 198 Cb 0.17 -1.19 -0.03 0.00 0.02 0.00 0.00 35.03 34.01 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 -1.36 -0.43 0.00 3.14 3.41 -0.34 0.36 113.62 118.40 1pma n SER 199 Ca 0.00 0.80 0.00 0.00 -0.26 0.00 0.00 58.87 59.41 1pma n SER 199 Cb 0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 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 -4.59 0.00 0.27 4.04 2.88 -1.14 -2.80 113.62 112.28 1pma n SER 200 Ca 0.02 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.74 1pma n SER 200 Cb 0.13 0.00 0.97 0.00 -0.75 0.00 0.00 64.21 64.56 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 -3.77 2.46 7.12 -1.37 -3.29 115.31 116.46 1pma h LEU 201 Ca 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.98 1pma h LEU 201 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.12 1pma h LEU 201 CO 0.00 0.00 0.00 -0.62 -0.13 0.00 0.00 178.44 177.69 1pma n GLU 202 N -2.76 0.73 0.09 1.25 4.71 0.16 -3.21 120.64 121.62 1pma n GLU 202 Ca -0.02 -0.18 -0.14 0.00 -0.01 0.00 0.00 57.16 56.81 1pma n GLU 202 Cb 0.07 -1.40 -0.10 0.00 -1.01 0.00 0.00 31.44 29.00 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 2.98 0.27 -1.19 3.49 4.22 -1.75 -3.22 114.58 119.38 1pma h GLU 203 Ca 0.03 -0.40 -0.27 0.00 0.08 0.00 0.00 59.36 58.80 1pma h GLU 203 Cb 0.65 0.14 -0.14 0.00 0.50 0.00 0.00 28.75 29.89 1pma h GLU 203 CO 0.11 1.14 0.35 0.41 -2.18 0.00 0.00 179.01 178.85 1pma n GLY 204 N 1.30 3.52 5.32 1.92 0.00 -1.20 -4.97 105.19 111.08 1pma n GLY 204 Ca -0.07 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.05 0.00 -1.71 1.61 4.07 -1.22 -4.78 120.64 118.57 1pma n GLU 205 Ca 0.29 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.96 1pma n GLU 205 Cb 0.88 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 32.23 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 3.65 0.14 5.31 2.12 -1.26 -4.86 118.70 123.80 1pma s GLU 206 Ca 0.00 2.22 0.22 0.00 0.36 0.00 0.00 54.97 57.77 1pma s GLU 206 Cb 0.00 -4.24 0.87 0.00 0.26 0.00 0.00 34.13 31.02 1pma s GLU 206 CO 0.00 -1.51 1.66 -0.11 -0.54 0.00 0.00 175.26 174.77 1pma n LEU 207 N 9.48 0.41 0.00 2.70 7.94 -1.26 -4.98 117.00 131.29 1pma n LEU 207 Ca 0.24 0.58 0.00 0.00 -1.11 0.00 0.00 56.01 55.72 1pma n LEU 207 Cb 0.43 -0.51 0.00 0.00 0.53 0.00 0.00 43.42 43.87 1pma n LEU 207 CO 0.67 -0.35 0.00 1.17 -1.11 0.00 0.00 177.39 177.76 1pma n LYS 208 N -1.93 0.00 -3.73 1.96 3.00 -1.26 -4.41 118.16 111.79 1pma n LYS 208 Ca 0.04 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.97 1pma n LYS 208 Cb 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.16 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 -2.00 3.08 0.65 3.14 0.00 -1.25 -5.06 121.76 120.32 1pma s ALA 209 Ca 0.00 -1.65 -0.11 0.00 0.00 0.00 0.00 51.96 50.20 1pma s ALA 209 Cb 0.00 -2.27 -0.02 0.00 0.00 0.00 0.00 23.12 20.83 1pma s ALA 209 CO 0.00 -1.21 1.04 -2.14 0.00 0.00 0.00 175.76 173.45 1pma s PRO 210 N 1.45 3.30 -0.20 0.00 0.02 -1.26 -2.91 135.00 135.40 1pma s PRO 210 Ca 0.00 0.88 -0.02 0.00 0.02 0.00 0.00 61.00 61.89 1pma s PRO 210 Cb -0.19 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.30 1pma s PRO 210 CO 0.03 -0.81 -0.11 -2.00 -0.33 0.00 0.00 177.00 173.78 1pma s GLU 211 N -5.00 3.22 -0.03 5.54 2.12 0.61 -4.82 118.70 120.35 1pma s GLU 211 Ca 0.57 -0.71 0.02 0.00 0.36 0.00 0.00 54.97 55.21 1pma s GLU 211 Cb -0.13 -2.80 0.00 0.00 0.26 0.00 0.00 34.13 31.47 1pma s GLU 211 CO 0.52 -0.18 -0.09 -1.50 -0.54 0.00 0.00 175.26 173.48 1pma s ILE 212 N 1.33 0.79 0.01 -3.70 2.07 -1.26 -0.24 121.20 120.19 1pma s ILE 212 Ca 0.04 -0.35 0.01 0.00 -1.41 0.00 0.00 60.65 58.94 1pma s ILE 212 Cb -0.14 -0.71 -0.01 0.00 0.13 0.00 0.00 42.46 41.73 1pma s ILE 212 CO -0.07 0.25 -0.04 0.00 -1.91 0.00 0.00 174.94 173.17 1pma s ALA 213 N 0.26 0.30 0.01 1.50 0.00 -0.40 -1.31 121.76 122.12 1pma s ALA 213 Ca -0.04 -0.34 -0.08 0.00 0.00 0.00 0.00 51.96 51.50 1pma s ALA 213 Cb -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1pma s ALA 213 CO 0.01 0.01 0.15 -1.54 0.00 0.00 0.00 175.76 174.39 1pma s SER 214 N -0.60 0.04 0.05 0.00 1.04 0.16 -0.88 113.70 113.51 1pma s SER 214 Ca -0.04 -0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.15 1pma s SER 214 Cb -0.04 0.23 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 1pma s SER 214 CO -0.00 -0.43 -0.08 -0.51 0.98 0.00 0.00 173.24 173.19 1pma s ILE 215 N -1.80 0.60 0.04 -1.02 2.07 -1.06 0.05 121.20 120.08 1pma s ILE 215 Ca -0.11 -1.14 0.05 0.00 -1.41 0.00 0.00 60.65 58.04 1pma s ILE 215 Cb -0.05 -0.69 -0.02 0.00 0.13 0.00 0.00 42.46 41.82 1pma s ILE 215 CO -0.00 -0.39 -0.15 0.28 -1.91 0.00 0.00 174.94 172.77 1pma s THR 216 N -1.46 1.19 0.18 4.00 -1.32 -1.26 -2.04 115.64 114.92 1pma s THR 216 Ca -0.08 -1.02 -0.32 0.00 -1.21 0.00 0.00 61.69 59.05 1pma s THR 216 Cb -0.09 -1.07 -0.16 0.00 -1.51 0.00 0.00 72.50 69.67 1pma s THR 216 CO 0.00 0.04 1.04 0.55 -2.21 0.00 0.00 174.62 174.04 1pma n VAL 217 N 1.90 1.13 0.00 5.08 3.14 0.28 -1.85 118.33 128.02 1pma n VAL 217 Ca -0.18 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 1pma n VAL 217 Cb 0.54 -0.67 0.00 0.00 -1.06 0.00 0.00 33.84 32.65 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 1.85 2.81 0.81 7.55 0.00 -1.26 -5.03 105.19 111.91 1pma n GLY 218 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.18 -4.90 1.61 6.94 -0.77 -5.17 115.26 112.79 1pma n ASN 219 Ca 0.00 -1.55 -0.28 0.00 -0.02 0.00 0.00 54.58 52.72 1pma n ASN 219 Cb 0.00 0.42 0.02 0.00 -2.36 0.00 0.00 39.78 37.87 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 -2.34 3.15 0.57 -3.83 1.02 -1.26 -4.59 119.74 112.46 1pma s LYS 220 Ca 0.10 0.29 -0.20 0.00 0.02 0.00 0.00 55.97 56.17 1pma s LYS 220 Cb 0.00 -2.20 -0.04 0.00 -0.52 0.00 0.00 37.83 35.08 1pma s LYS 220 CO 0.07 -0.66 1.30 0.71 -0.92 0.00 0.00 175.35 175.85 1pma s TYR 221 N -3.07 2.30 -0.06 3.18 2.02 -0.31 -4.61 117.35 116.81 1pma s TYR 221 Ca 0.54 1.44 0.03 0.00 -0.37 0.00 0.00 57.07 58.70 1pma s TYR 221 Cb -0.11 -3.69 0.01 0.00 -0.40 0.00 0.00 41.96 37.77 1pma s TYR 221 CO 0.48 -2.69 -0.13 0.50 -1.57 0.00 0.00 175.55 172.14 1pma s ARG 222 N -3.07 1.71 -0.13 -0.62 3.52 0.11 -4.98 118.95 115.49 1pma s ARG 222 Ca 0.75 -0.46 -0.06 0.00 -0.13 0.00 0.00 55.73 55.83 1pma s ARG 222 Cb -0.37 -1.43 -0.04 0.00 -1.56 0.00 0.00 34.95 31.55 1pma s ARG 222 CO 0.42 0.07 0.07 0.42 -0.81 0.00 0.00 175.30 175.48 1pma s ILE 223 N 0.51 4.92 0.28 4.11 1.01 -1.26 0.41 121.20 131.18 1pma s ILE 223 Ca -0.12 -0.00 -0.29 0.00 0.00 0.00 0.00 60.65 60.23 1pma s ILE 223 Cb -0.15 -3.15 -0.09 0.00 0.01 0.00 0.00 42.46 39.08 1pma s ILE 223 CO 0.03 0.56 1.07 -0.31 0.00 0.00 0.00 174.94 176.30 1pma s TYR 224 N -0.47 3.62 0.39 3.97 1.51 -0.43 -4.97 117.35 120.97 1pma s TYR 224 Ca 0.10 1.73 -0.09 0.00 -1.01 0.00 0.00 57.07 57.80 1pma s TYR 224 Cb -0.12 -3.23 -0.06 0.00 -0.11 0.00 0.00 41.96 38.44 1pma s TYR 224 CO 0.02 -0.41 0.73 0.16 -1.11 0.00 0.00 175.55 174.94 1pma s ASP 225 N -0.95 6.48 0.20 2.29 -4.77 -1.26 -4.80 116.67 113.86 1pma s ASP 225 Ca 0.45 1.03 -0.06 0.00 -3.30 0.00 0.00 52.55 50.66 1pma s ASP 225 Cb -0.31 -2.28 0.32 0.00 -1.09 0.00 0.00 42.92 39.56 1pma s ASP 225 CO 0.39 -0.37 1.13 1.67 0.70 0.00 0.00 175.17 178.69 1pma n GLN 226 N -1.31 -0.07 -0.10 2.11 7.27 -1.26 -0.28 117.38 123.74 1pma n GLN 226 Ca 0.01 1.13 -0.12 0.00 0.07 0.00 0.00 57.00 58.10 1pma n GLN 226 Cb 0.54 -1.69 -0.04 0.00 2.41 0.00 0.00 30.24 31.47 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 0.56 -0.39 3.69 3.07 -1.97 -0.86 114.58 118.67 1pma h GLU 227 Ca 0.34 -0.21 0.02 0.00 -0.50 0.00 0.00 59.36 59.01 1pma h GLU 227 Cb 0.52 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.37 1pma h GLU 227 CO -0.74 0.75 0.22 1.49 -1.40 0.00 0.00 179.01 179.33 1pma h GLU 228 N 0.32 0.44 -0.42 2.33 4.81 -1.01 -0.31 114.58 120.74 1pma h GLU 228 Ca 0.07 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1pma h GLU 228 Cb 0.55 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1pma h GLU 228 CO 0.03 0.29 0.06 -0.24 -0.73 0.00 0.00 179.01 178.42 1pma h VAL 229 N 0.46 1.24 -0.05 0.32 3.04 -1.24 -1.14 116.25 118.89 1pma h VAL 229 Ca 0.16 -0.89 0.01 0.00 -1.01 0.00 0.00 66.70 64.97 1pma h VAL 229 Cb 0.01 1.01 -0.00 0.00 -2.01 0.00 0.00 31.29 30.30 1pma h VAL 229 CO -0.08 0.31 0.12 0.50 -1.01 0.00 0.00 177.57 177.42 1pma h LYS 230 N 0.56 0.00 -0.17 4.17 3.64 -0.59 0.04 116.57 124.22 1pma h LYS 230 Ca 0.13 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.38 1pma h LYS 230 Cb 0.38 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1pma h LYS 230 CO 0.01 0.00 -0.45 -0.22 -2.27 0.00 0.00 179.45 176.52 1pma h LYS 231 N 0.00 0.43 0.00 1.90 3.64 0.26 -3.01 116.57 119.78 1pma h LYS 231 Ca 0.02 -0.23 -0.04 0.00 -1.27 0.00 0.00 60.65 59.13 1pma h LYS 231 Cb 0.27 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1pma h LYS 231 CO -0.00 0.80 -0.91 0.74 -2.27 0.00 0.00 179.45 177.80 1pma h PHE 232 N 0.35 0.00 0.00 1.91 -1.00 -1.02 -3.52 116.94 113.66 1pma h PHE 232 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1pma h PHE 232 Cb 0.93 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.49 1pma h PHE 232 CO 0.03 0.16 0.00 -0.11 -1.61 0.00 0.00 178.31 176.78